USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 872 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: B 25 SER OG : rot 180:sc= -2.26! USER MOD Set 1.2: B 43 THR OG1 : rot 180:sc= -2.16! USER MOD Set 2.1: A 27 SER OG : rot -45:sc= 1.98 USER MOD Set 2.2: B 27 SER OG : rot 60:sc= -0.186! USER MOD Set 3.1: A 25 SER OG : rot 180:sc= -2.27! USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= -2.18! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -5.3! C(o=-5.3!,f=-8.2!) USER MOD Single : A 24 GLN : amide:sc= -3.35! C(o=-3.3!,f=-3.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00167 USER MOD Single : A 38 THR OG1 : rot 27:sc= 0.802 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot -110:sc= -3.36! USER MOD Single : A 60 GLN : amide:sc= -13.4! C(o=-13!,f=-22!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -5.26! C(o=-5.3!,f=-8.3!) USER MOD Single : B 24 GLN : amide:sc= -3.52! C(o=-3.5!,f=-3.6!) USER MOD Single : B 29 THR OG1 : rot 180:sc=-0.000667 USER MOD Single : B 38 THR OG1 : rot 3:sc= 0.92 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 GLN : amide:sc= -0.0405 X(o=-0.04,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 CYS SG : rot -110:sc= -3.43! USER MOD Single : B 60 GLN : amide:sc= -13.5! C(o=-13!,f=-22!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 15.381 -6.459 4.015 1.00 0.00 N ATOM 178 CA LYS A 13 15.198 -6.640 2.548 1.00 0.00 C ATOM 179 C LYS A 13 13.715 -6.518 2.189 1.00 0.00 C ATOM 180 O LYS A 13 12.924 -5.991 2.946 1.00 0.00 O ATOM 181 CB LYS A 13 15.700 -8.053 2.258 1.00 0.00 C ATOM 182 CG LYS A 13 16.994 -7.982 1.445 1.00 0.00 C ATOM 183 CD LYS A 13 17.870 -9.192 1.773 1.00 0.00 C ATOM 184 CE LYS A 13 18.825 -9.463 0.607 1.00 0.00 C ATOM 185 NZ LYS A 13 19.947 -8.502 0.799 1.00 0.00 N ATOM 0 HA LYS A 13 15.734 -5.890 1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.875 -8.586 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.943 -8.613 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.766 -7.963 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.529 -7.060 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.437 -9.007 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.246 -10.067 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 13 19.181 -10.493 0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.331 -9.307 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 20.644 -8.626 0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 19.579 -7.530 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 20.402 -8.679 1.717 1.00 0.00 H new ATOM 199 N THR A 14 13.332 -7.002 1.041 1.00 0.00 N ATOM 200 CA THR A 14 11.906 -6.919 0.634 1.00 0.00 C ATOM 201 C THR A 14 11.587 -8.021 -0.376 1.00 0.00 C ATOM 202 O THR A 14 12.462 -8.538 -1.042 1.00 0.00 O ATOM 203 CB THR A 14 11.764 -5.549 -0.017 1.00 0.00 C ATOM 204 OG1 THR A 14 13.044 -5.082 -0.420 1.00 0.00 O ATOM 205 CG2 THR A 14 11.146 -4.568 0.979 1.00 0.00 C ATOM 0 H THR A 14 13.949 -7.453 0.366 1.00 0.00 H new ATOM 0 HA THR A 14 11.225 -7.046 1.476 1.00 0.00 H new ATOM 0 HB THR A 14 11.116 -5.627 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.953 -4.201 -0.840 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.046 -3.589 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.163 -4.928 1.282 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.788 -4.487 1.856 1.00 0.00 H new ATOM 213 N LEU A 15 10.342 -8.386 -0.497 1.00 0.00 N ATOM 214 CA LEU A 15 9.973 -9.453 -1.462 1.00 0.00 C ATOM 215 C LEU A 15 9.264 -8.852 -2.674 1.00 0.00 C ATOM 216 O LEU A 15 8.535 -7.887 -2.555 1.00 0.00 O ATOM 217 CB LEU A 15 9.025 -10.358 -0.685 1.00 0.00 C ATOM 218 CG LEU A 15 9.738 -10.889 0.557 1.00 0.00 C ATOM 219 CD1 LEU A 15 9.651 -9.853 1.679 1.00 0.00 C ATOM 220 CD2 LEU A 15 9.069 -12.186 1.009 1.00 0.00 C ATOM 0 H LEU A 15 9.565 -7.990 0.032 1.00 0.00 H new ATOM 0 HA LEU A 15 10.842 -9.990 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.131 -9.805 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.699 -11.187 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 15 10.785 -11.081 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.160 -10.233 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.126 -8.927 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.605 -9.661 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.576 -12.567 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.022 -11.993 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.131 -12.925 0.210 1.00 0.00 H new ATOM 232 N PRO A 16 9.501 -9.453 -3.803 1.00 0.00 N ATOM 233 CA PRO A 16 8.878 -8.988 -5.057 1.00 0.00 C ATOM 234 C PRO A 16 7.455 -9.536 -5.151 1.00 0.00 C ATOM 235 O PRO A 16 6.650 -9.078 -5.935 1.00 0.00 O ATOM 236 CB PRO A 16 9.767 -9.591 -6.139 1.00 0.00 C ATOM 237 CG PRO A 16 10.401 -10.797 -5.513 1.00 0.00 C ATOM 238 CD PRO A 16 10.364 -10.617 -4.013 1.00 0.00 C ATOM 0 HA PRO A 16 8.803 -7.904 -5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.183 -9.866 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.522 -8.878 -6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.866 -11.702 -5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.429 -10.910 -5.858 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.964 -11.502 -3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.362 -10.449 -3.609 1.00 0.00 H new ATOM 246 N ARG A 17 7.148 -10.520 -4.354 1.00 0.00 N ATOM 247 CA ARG A 17 5.789 -11.119 -4.384 1.00 0.00 C ATOM 248 C ARG A 17 5.557 -11.940 -3.108 1.00 0.00 C ATOM 249 O ARG A 17 5.356 -13.137 -3.157 1.00 0.00 O ATOM 250 CB ARG A 17 5.798 -12.026 -5.616 1.00 0.00 C ATOM 251 CG ARG A 17 4.587 -12.956 -5.577 1.00 0.00 C ATOM 252 CD ARG A 17 5.052 -14.409 -5.694 1.00 0.00 C ATOM 253 NE ARG A 17 5.163 -14.662 -7.158 1.00 0.00 N ATOM 254 CZ ARG A 17 4.088 -14.875 -7.867 1.00 0.00 C ATOM 255 NH1 ARG A 17 3.099 -15.562 -7.365 1.00 0.00 N ATOM 256 NH2 ARG A 17 4.004 -14.402 -9.081 1.00 0.00 N ATOM 0 H ARG A 17 7.787 -10.937 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 17 4.996 -10.373 -4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.777 -11.423 -6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.717 -12.611 -5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.036 -12.814 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.904 -12.715 -6.392 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.009 -14.559 -5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.339 -15.090 -5.229 1.00 0.00 H new ATOM 0 HE ARG A 17 6.079 -14.669 -7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.165 -15.933 -6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.260 -15.728 -7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.778 -13.867 -9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.164 -14.568 -9.636 1.00 0.00 H new ATOM 270 N VAL A 18 5.585 -11.306 -1.963 1.00 0.00 N ATOM 271 CA VAL A 18 5.358 -12.060 -0.688 1.00 0.00 C ATOM 272 C VAL A 18 4.210 -13.044 -0.882 1.00 0.00 C ATOM 273 O VAL A 18 3.511 -12.981 -1.870 1.00 0.00 O ATOM 274 CB VAL A 18 4.986 -10.996 0.348 1.00 0.00 C ATOM 275 CG1 VAL A 18 6.261 -10.377 0.924 1.00 0.00 C ATOM 276 CG2 VAL A 18 4.146 -9.900 -0.316 1.00 0.00 C ATOM 0 H VAL A 18 5.754 -10.306 -1.854 1.00 0.00 H new ATOM 0 HA VAL A 18 6.232 -12.632 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 18 4.410 -11.460 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.997 -9.619 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.860 -11.154 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.837 -9.916 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.883 -9.144 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.720 -9.437 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.236 -10.338 -0.727 1.00 0.00 H new ATOM 286 N ASP A 19 4.002 -13.947 0.047 1.00 0.00 N ATOM 287 CA ASP A 19 2.884 -14.919 -0.100 1.00 0.00 C ATOM 288 C ASP A 19 1.688 -14.190 -0.711 1.00 0.00 C ATOM 289 O ASP A 19 0.707 -13.896 -0.058 1.00 0.00 O ATOM 290 CB ASP A 19 2.598 -15.377 1.326 1.00 0.00 C ATOM 291 CG ASP A 19 1.774 -16.664 1.301 1.00 0.00 C ATOM 292 OD1 ASP A 19 1.404 -17.086 0.218 1.00 0.00 O ATOM 293 OD2 ASP A 19 1.528 -17.207 2.365 1.00 0.00 O ATOM 0 H ASP A 19 4.558 -14.049 0.896 1.00 0.00 H new ATOM 0 HA ASP A 19 3.108 -15.767 -0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.534 -15.544 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.058 -14.599 1.866 1.00 0.00 H new ATOM 298 N PHE A 20 1.811 -13.858 -1.962 1.00 0.00 N ATOM 299 CA PHE A 20 0.757 -13.095 -2.673 1.00 0.00 C ATOM 300 C PHE A 20 -0.651 -13.536 -2.296 1.00 0.00 C ATOM 301 O PHE A 20 -1.334 -12.871 -1.547 1.00 0.00 O ATOM 302 CB PHE A 20 1.026 -13.351 -4.150 1.00 0.00 C ATOM 303 CG PHE A 20 0.933 -12.041 -4.865 1.00 0.00 C ATOM 304 CD1 PHE A 20 2.028 -11.175 -4.878 1.00 0.00 C ATOM 305 CD2 PHE A 20 -0.260 -11.679 -5.486 1.00 0.00 C ATOM 306 CE1 PHE A 20 1.932 -9.943 -5.522 1.00 0.00 C ATOM 307 CE2 PHE A 20 -0.363 -10.450 -6.126 1.00 0.00 C ATOM 308 CZ PHE A 20 0.738 -9.578 -6.146 1.00 0.00 C ATOM 0 H PHE A 20 2.622 -14.091 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 20 0.797 -12.038 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.013 -13.792 -4.288 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.302 -14.059 -4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.948 -11.460 -4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.104 -12.353 -5.470 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.779 -9.273 -5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.287 -10.166 -6.607 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.661 -8.623 -6.645 1.00 0.00 H new ATOM 318 N LYS A 21 -1.108 -14.625 -2.829 1.00 0.00 N ATOM 319 CA LYS A 21 -2.490 -15.059 -2.510 1.00 0.00 C ATOM 320 C LYS A 21 -2.773 -14.844 -1.018 1.00 0.00 C ATOM 321 O LYS A 21 -3.904 -14.677 -0.608 1.00 0.00 O ATOM 322 CB LYS A 21 -2.541 -16.545 -2.866 1.00 0.00 C ATOM 323 CG LYS A 21 -2.948 -16.705 -4.332 1.00 0.00 C ATOM 324 CD LYS A 21 -4.160 -17.633 -4.427 1.00 0.00 C ATOM 325 CE LYS A 21 -3.700 -19.089 -4.318 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.771 -19.882 -4.981 1.00 0.00 N ATOM 0 H LYS A 21 -0.591 -15.231 -3.467 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.240 -14.492 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.567 -17.004 -2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.253 -17.060 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.187 -15.732 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.118 -17.113 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.869 -17.404 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.679 -17.475 -5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.738 -19.237 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.576 -19.387 -3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.527 -20.892 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.674 -19.727 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.862 -19.582 -5.973 1.00 0.00 H new ATOM 340 N ASN A 22 -1.748 -14.840 -0.204 1.00 0.00 N ATOM 341 CA ASN A 22 -1.947 -14.629 1.254 1.00 0.00 C ATOM 342 C ASN A 22 -1.952 -13.136 1.575 1.00 0.00 C ATOM 343 O ASN A 22 -2.592 -12.690 2.506 1.00 0.00 O ATOM 344 CB ASN A 22 -0.743 -15.295 1.904 1.00 0.00 C ATOM 345 CG ASN A 22 -1.209 -16.242 3.010 1.00 0.00 C ATOM 346 OD1 ASN A 22 -2.322 -16.730 2.979 1.00 0.00 O ATOM 347 ND2 ASN A 22 -0.400 -16.528 3.993 1.00 0.00 N ATOM 0 H ASN A 22 -0.779 -14.975 -0.492 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.894 -15.038 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.173 -15.847 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.077 -14.538 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.702 -17.160 4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.534 -16.119 4.020 1.00 0.00 H new ATOM 354 N ILE A 23 -1.226 -12.366 0.814 1.00 0.00 N ATOM 355 CA ILE A 23 -1.164 -10.901 1.070 1.00 0.00 C ATOM 356 C ILE A 23 -2.535 -10.380 1.512 1.00 0.00 C ATOM 357 O ILE A 23 -3.413 -10.141 0.707 1.00 0.00 O ATOM 358 CB ILE A 23 -0.737 -10.284 -0.267 1.00 0.00 C ATOM 359 CG1 ILE A 23 0.773 -10.032 -0.251 1.00 0.00 C ATOM 360 CG2 ILE A 23 -1.464 -8.958 -0.490 1.00 0.00 C ATOM 361 CD1 ILE A 23 1.504 -11.337 0.065 1.00 0.00 C ATOM 0 H ILE A 23 -0.671 -12.690 0.022 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.468 -10.645 1.869 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.991 -10.973 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.098 -9.645 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.018 -9.276 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.153 -8.528 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.540 -9.131 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.218 -8.268 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.579 -11.158 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.187 -11.705 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.268 -12.080 -0.697 1.00 0.00 H new ATOM 373 N GLN A 24 -2.721 -10.204 2.792 1.00 0.00 N ATOM 374 CA GLN A 24 -4.034 -9.700 3.297 1.00 0.00 C ATOM 375 C GLN A 24 -3.987 -8.182 3.474 1.00 0.00 C ATOM 376 O GLN A 24 -4.954 -7.563 3.869 1.00 0.00 O ATOM 377 CB GLN A 24 -4.233 -10.393 4.645 1.00 0.00 C ATOM 378 CG GLN A 24 -5.651 -10.124 5.154 1.00 0.00 C ATOM 379 CD GLN A 24 -5.652 -8.864 6.022 1.00 0.00 C ATOM 380 OE1 GLN A 24 -6.485 -7.996 5.852 1.00 0.00 O ATOM 381 NE2 GLN A 24 -4.747 -8.725 6.952 1.00 0.00 N ATOM 0 H GLN A 24 -2.021 -10.387 3.511 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.850 -9.912 2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.070 -11.466 4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.501 -10.027 5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.333 -9.999 4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.009 -10.976 5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.047 -9.453 7.096 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.739 -7.888 7.535 1.00 0.00 H new ATOM 390 N SER A 25 -2.872 -7.576 3.180 1.00 0.00 N ATOM 391 CA SER A 25 -2.768 -6.097 3.326 1.00 0.00 C ATOM 392 C SER A 25 -1.467 -5.599 2.699 1.00 0.00 C ATOM 393 O SER A 25 -0.516 -6.339 2.549 1.00 0.00 O ATOM 394 CB SER A 25 -2.772 -5.841 4.833 1.00 0.00 C ATOM 395 OG SER A 25 -1.433 -5.680 5.283 1.00 0.00 O ATOM 0 H SER A 25 -2.028 -8.040 2.845 1.00 0.00 H new ATOM 0 HA SER A 25 -3.584 -5.574 2.826 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.355 -4.948 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.246 -6.673 5.354 1.00 0.00 H new ATOM 0 HG SER A 25 -1.430 -5.514 6.249 1.00 0.00 H new ATOM 401 N LEU A 26 -1.415 -4.352 2.330 1.00 0.00 N ATOM 402 CA LEU A 26 -0.171 -3.812 1.712 1.00 0.00 C ATOM 403 C LEU A 26 0.137 -2.425 2.271 1.00 0.00 C ATOM 404 O LEU A 26 -0.689 -1.811 2.914 1.00 0.00 O ATOM 405 CB LEU A 26 -0.477 -3.718 0.216 1.00 0.00 C ATOM 406 CG LEU A 26 -1.196 -4.986 -0.246 1.00 0.00 C ATOM 407 CD1 LEU A 26 -1.737 -4.779 -1.661 1.00 0.00 C ATOM 408 CD2 LEU A 26 -0.209 -6.152 -0.244 1.00 0.00 C ATOM 0 H LEU A 26 -2.178 -3.682 2.429 1.00 0.00 H new ATOM 0 HA LEU A 26 0.694 -4.443 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.097 -2.844 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.448 -3.588 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.023 -5.205 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.250 -5.683 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.437 -3.943 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.911 -4.563 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.717 -7.059 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.616 -5.932 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.179 -6.298 0.764 1.00 0.00 H new ATOM 420 N SER A 27 1.319 -1.926 2.026 1.00 0.00 N ATOM 421 CA SER A 27 1.678 -0.569 2.530 1.00 0.00 C ATOM 422 C SER A 27 2.913 -0.040 1.795 1.00 0.00 C ATOM 423 O SER A 27 3.977 -0.618 1.858 1.00 0.00 O ATOM 424 CB SER A 27 1.978 -0.753 4.016 1.00 0.00 C ATOM 425 OG SER A 27 1.154 0.123 4.772 1.00 0.00 O ATOM 0 H SER A 27 2.052 -2.400 1.498 1.00 0.00 H new ATOM 0 HA SER A 27 0.876 0.151 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.796 -1.787 4.310 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.029 -0.545 4.215 1.00 0.00 H new ATOM 0 HG SER A 27 1.152 1.010 4.356 1.00 0.00 H new ATOM 431 N VAL A 28 2.783 1.055 1.095 1.00 0.00 N ATOM 432 CA VAL A 28 3.960 1.602 0.361 1.00 0.00 C ATOM 433 C VAL A 28 4.447 2.895 1.018 1.00 0.00 C ATOM 434 O VAL A 28 3.698 3.835 1.196 1.00 0.00 O ATOM 435 CB VAL A 28 3.452 1.877 -1.054 1.00 0.00 C ATOM 436 CG1 VAL A 28 4.534 2.604 -1.853 1.00 0.00 C ATOM 437 CG2 VAL A 28 3.119 0.549 -1.740 1.00 0.00 C ATOM 0 H VAL A 28 1.920 1.591 1.000 1.00 0.00 H new ATOM 0 HA VAL A 28 4.803 0.911 0.365 1.00 0.00 H new ATOM 0 HB VAL A 28 2.558 2.498 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.171 2.800 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.775 3.548 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.428 1.983 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.756 0.742 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.015 -0.070 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.349 0.029 -1.171 1.00 0.00 H new ATOM 447 N THR A 29 5.702 2.947 1.375 1.00 0.00 N ATOM 448 CA THR A 29 6.245 4.179 2.016 1.00 0.00 C ATOM 449 C THR A 29 7.498 4.639 1.267 1.00 0.00 C ATOM 450 O THR A 29 8.312 3.832 0.862 1.00 0.00 O ATOM 451 CB THR A 29 6.593 3.765 3.446 1.00 0.00 C ATOM 452 OG1 THR A 29 7.018 4.905 4.179 1.00 0.00 O ATOM 453 CG2 THR A 29 7.714 2.724 3.420 1.00 0.00 C ATOM 0 H THR A 29 6.374 2.190 1.251 1.00 0.00 H new ATOM 0 HA THR A 29 5.536 5.007 1.999 1.00 0.00 H new ATOM 0 HB THR A 29 5.713 3.335 3.924 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.239 4.640 5.096 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.961 2.430 4.440 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.385 1.849 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.596 3.151 2.942 1.00 0.00 H new ATOM 461 N PRO A 30 7.604 5.925 1.098 1.00 0.00 N ATOM 462 CA PRO A 30 8.763 6.508 0.378 1.00 0.00 C ATOM 463 C PRO A 30 10.031 6.435 1.235 1.00 0.00 C ATOM 464 O PRO A 30 10.009 5.930 2.339 1.00 0.00 O ATOM 465 CB PRO A 30 8.341 7.956 0.141 1.00 0.00 C ATOM 466 CG PRO A 30 7.338 8.251 1.210 1.00 0.00 C ATOM 467 CD PRO A 30 6.663 6.951 1.558 1.00 0.00 C ATOM 0 HA PRO A 30 9.002 5.981 -0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.195 8.631 0.205 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.908 8.083 -0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.825 8.679 2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.608 8.982 0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.479 6.872 2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.697 6.858 1.061 1.00 0.00 H new ATOM 475 N PRO A 31 11.103 6.944 0.683 1.00 0.00 N ATOM 476 CA PRO A 31 12.408 6.935 1.392 1.00 0.00 C ATOM 477 C PRO A 31 12.394 7.881 2.592 1.00 0.00 C ATOM 478 O PRO A 31 12.006 9.027 2.492 1.00 0.00 O ATOM 479 CB PRO A 31 13.395 7.419 0.331 1.00 0.00 C ATOM 480 CG PRO A 31 12.566 8.209 -0.628 1.00 0.00 C ATOM 481 CD PRO A 31 11.204 7.570 -0.642 1.00 0.00 C ATOM 0 HA PRO A 31 12.660 5.954 1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.181 8.031 0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.884 6.581 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.502 9.252 -0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.009 8.199 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.417 8.307 -0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.114 6.834 -1.441 1.00 0.00 H new ATOM 564 N THR A 38 12.731 3.705 -1.788 1.00 0.00 N ATOM 565 CA THR A 38 11.285 3.393 -1.595 1.00 0.00 C ATOM 566 C THR A 38 11.123 1.984 -1.024 1.00 0.00 C ATOM 567 O THR A 38 11.854 1.076 -1.370 1.00 0.00 O ATOM 568 CB THR A 38 10.666 3.477 -2.993 1.00 0.00 C ATOM 569 OG1 THR A 38 11.630 3.981 -3.907 1.00 0.00 O ATOM 570 CG2 THR A 38 9.453 4.410 -2.962 1.00 0.00 C ATOM 0 HA THR A 38 10.806 4.079 -0.897 1.00 0.00 H new ATOM 0 HB THR A 38 10.349 2.483 -3.310 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.530 3.766 -3.585 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.014 4.469 -3.958 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.714 4.022 -2.261 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.767 5.404 -2.645 1.00 0.00 H new ATOM 578 N GLU A 39 10.175 1.791 -0.148 1.00 0.00 N ATOM 579 CA GLU A 39 9.980 0.436 0.441 1.00 0.00 C ATOM 580 C GLU A 39 8.491 0.116 0.583 1.00 0.00 C ATOM 581 O GLU A 39 7.664 0.999 0.692 1.00 0.00 O ATOM 582 CB GLU A 39 10.640 0.509 1.815 1.00 0.00 C ATOM 583 CG GLU A 39 11.177 -0.870 2.185 1.00 0.00 C ATOM 584 CD GLU A 39 11.107 -1.058 3.702 1.00 0.00 C ATOM 585 OE1 GLU A 39 10.078 -0.736 4.273 1.00 0.00 O ATOM 586 OE2 GLU A 39 12.085 -1.520 4.267 1.00 0.00 O ATOM 0 H GLU A 39 9.530 2.509 0.184 1.00 0.00 H new ATOM 0 HA GLU A 39 10.409 -0.347 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.451 1.238 1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.919 0.844 2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.595 -1.644 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.207 -0.974 1.843 1.00 0.00 H new ATOM 593 N VAL A 40 8.143 -1.144 0.583 1.00 0.00 N ATOM 594 CA VAL A 40 6.705 -1.511 0.720 1.00 0.00 C ATOM 595 C VAL A 40 6.492 -2.419 1.932 1.00 0.00 C ATOM 596 O VAL A 40 7.428 -2.909 2.532 1.00 0.00 O ATOM 597 CB VAL A 40 6.362 -2.256 -0.567 1.00 0.00 C ATOM 598 CG1 VAL A 40 4.907 -2.724 -0.517 1.00 0.00 C ATOM 599 CG2 VAL A 40 6.552 -1.318 -1.756 1.00 0.00 C ATOM 0 H VAL A 40 8.788 -1.929 0.495 1.00 0.00 H new ATOM 0 HA VAL A 40 6.075 -0.634 0.870 1.00 0.00 H new ATOM 0 HB VAL A 40 7.016 -3.121 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.664 -3.256 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.768 -3.390 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.250 -1.860 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.308 -1.846 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.895 -0.455 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.589 -0.983 -1.793 1.00 0.00 H new ATOM 609 N ILE A 41 5.260 -2.654 2.282 1.00 0.00 N ATOM 610 CA ILE A 41 4.952 -3.536 3.441 1.00 0.00 C ATOM 611 C ILE A 41 3.678 -4.318 3.140 1.00 0.00 C ATOM 612 O ILE A 41 2.656 -3.749 2.815 1.00 0.00 O ATOM 613 CB ILE A 41 4.723 -2.594 4.622 1.00 0.00 C ATOM 614 CG1 ILE A 41 5.706 -1.422 4.557 1.00 0.00 C ATOM 615 CG2 ILE A 41 4.929 -3.357 5.931 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.119 -1.926 4.853 1.00 0.00 C ATOM 0 H ILE A 41 4.443 -2.268 1.809 1.00 0.00 H new ATOM 0 HA ILE A 41 5.750 -4.249 3.649 1.00 0.00 H new ATOM 0 HB ILE A 41 3.704 -2.209 4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.672 -0.959 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.423 -0.655 5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.766 -2.685 6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.222 -4.185 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.947 -3.746 5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.820 -1.092 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.146 -2.368 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.400 -2.677 4.114 1.00 0.00 H new ATOM 628 N ALA A 42 3.723 -5.613 3.226 1.00 0.00 N ATOM 629 CA ALA A 42 2.501 -6.403 2.921 1.00 0.00 C ATOM 630 C ALA A 42 2.249 -7.452 4.005 1.00 0.00 C ATOM 631 O ALA A 42 3.167 -8.033 4.548 1.00 0.00 O ATOM 632 CB ALA A 42 2.803 -7.078 1.585 1.00 0.00 C ATOM 0 H ALA A 42 4.544 -6.157 3.492 1.00 0.00 H new ATOM 0 HA ALA A 42 1.608 -5.780 2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.949 -7.685 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.994 -6.317 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.682 -7.714 1.689 1.00 0.00 H new ATOM 638 N THR A 43 1.008 -7.714 4.304 1.00 0.00 N ATOM 639 CA THR A 43 0.688 -8.741 5.334 1.00 0.00 C ATOM 640 C THR A 43 0.096 -9.965 4.644 1.00 0.00 C ATOM 641 O THR A 43 -0.511 -9.860 3.598 1.00 0.00 O ATOM 642 CB THR A 43 -0.347 -8.091 6.254 1.00 0.00 C ATOM 643 OG1 THR A 43 0.263 -7.035 6.981 1.00 0.00 O ATOM 644 CG2 THR A 43 -0.893 -9.138 7.228 1.00 0.00 C ATOM 0 H THR A 43 0.199 -7.260 3.879 1.00 0.00 H new ATOM 0 HA THR A 43 1.566 -9.063 5.894 1.00 0.00 H new ATOM 0 HB THR A 43 -1.166 -7.692 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.400 -6.617 7.569 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.631 -8.675 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.362 -9.947 6.668 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.075 -9.539 7.827 1.00 0.00 H new ATOM 652 N LEU A 44 0.284 -11.123 5.198 1.00 0.00 N ATOM 653 CA LEU A 44 -0.247 -12.348 4.546 1.00 0.00 C ATOM 654 C LEU A 44 -1.426 -12.923 5.330 1.00 0.00 C ATOM 655 O LEU A 44 -1.718 -12.506 6.434 1.00 0.00 O ATOM 656 CB LEU A 44 0.927 -13.315 4.574 1.00 0.00 C ATOM 657 CG LEU A 44 2.188 -12.599 4.096 1.00 0.00 C ATOM 658 CD1 LEU A 44 3.412 -13.441 4.447 1.00 0.00 C ATOM 659 CD2 LEU A 44 2.121 -12.405 2.582 1.00 0.00 C ATOM 0 H LEU A 44 0.782 -11.277 6.075 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.618 -12.154 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.074 -13.697 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.720 -14.174 3.936 1.00 0.00 H new ATOM 0 HG LEU A 44 2.262 -11.627 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.314 -12.932 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.460 -13.581 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.338 -14.412 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.021 -11.894 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.048 -13.377 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.246 -11.806 2.330 1.00 0.00 H new ATOM 671 N LYS A 45 -2.109 -13.881 4.763 1.00 0.00 N ATOM 672 CA LYS A 45 -3.271 -14.488 5.468 1.00 0.00 C ATOM 673 C LYS A 45 -2.787 -15.528 6.482 1.00 0.00 C ATOM 674 O LYS A 45 -2.134 -16.491 6.132 1.00 0.00 O ATOM 675 CB LYS A 45 -4.100 -15.154 4.371 1.00 0.00 C ATOM 676 CG LYS A 45 -5.566 -14.737 4.514 1.00 0.00 C ATOM 677 CD LYS A 45 -6.327 -15.810 5.297 1.00 0.00 C ATOM 678 CE LYS A 45 -7.671 -15.247 5.761 1.00 0.00 C ATOM 679 NZ LYS A 45 -8.431 -16.426 6.258 1.00 0.00 N ATOM 0 H LYS A 45 -1.911 -14.269 3.841 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.850 -13.749 6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.723 -14.866 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.011 -16.238 4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.634 -13.779 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.015 -14.603 3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.485 -16.688 4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.740 -16.133 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.537 -14.504 6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.197 -14.755 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.366 -16.120 6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.549 -17.114 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.910 -16.870 7.041 1.00 0.00 H new ATOM 693 N GLY A 46 -3.103 -15.342 7.733 1.00 0.00 N ATOM 694 CA GLY A 46 -2.662 -16.318 8.763 1.00 0.00 C ATOM 695 C GLY A 46 -1.881 -15.591 9.859 1.00 0.00 C ATOM 696 O GLY A 46 -1.781 -16.058 10.976 1.00 0.00 O ATOM 0 H GLY A 46 -3.648 -14.555 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.527 -16.823 9.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.038 -17.086 8.307 1.00 0.00 H new ATOM 700 N GLY A 47 -1.326 -14.449 9.552 1.00 0.00 N ATOM 701 CA GLY A 47 -0.554 -13.701 10.579 1.00 0.00 C ATOM 702 C GLY A 47 0.929 -13.723 10.218 1.00 0.00 C ATOM 703 O GLY A 47 1.730 -14.367 10.869 1.00 0.00 O ATOM 0 H GLY A 47 -1.375 -14.005 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.909 -12.672 10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.707 -14.148 11.561 1.00 0.00 H new ATOM 707 N GLN A 48 1.300 -13.024 9.186 1.00 0.00 N ATOM 708 CA GLN A 48 2.728 -12.994 8.772 1.00 0.00 C ATOM 709 C GLN A 48 2.951 -11.858 7.775 1.00 0.00 C ATOM 710 O GLN A 48 2.701 -11.996 6.594 1.00 0.00 O ATOM 711 CB GLN A 48 2.982 -14.351 8.112 1.00 0.00 C ATOM 712 CG GLN A 48 3.882 -15.197 9.014 1.00 0.00 C ATOM 713 CD GLN A 48 5.169 -15.548 8.266 1.00 0.00 C ATOM 714 OE1 GLN A 48 5.498 -16.708 8.110 1.00 0.00 O ATOM 715 NE2 GLN A 48 5.916 -14.589 7.791 1.00 0.00 N ATOM 0 H GLN A 48 0.671 -12.468 8.607 1.00 0.00 H new ATOM 0 HA GLN A 48 3.403 -12.824 9.611 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.037 -14.865 7.938 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.453 -14.212 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.117 -14.650 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.363 -16.108 9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.640 -13.616 7.922 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.775 -14.813 7.289 1.00 0.00 H new ATOM 724 N LYS A 49 3.407 -10.731 8.243 1.00 0.00 N ATOM 725 CA LYS A 49 3.632 -9.581 7.325 1.00 0.00 C ATOM 726 C LYS A 49 5.122 -9.331 7.133 1.00 0.00 C ATOM 727 O LYS A 49 5.961 -9.920 7.786 1.00 0.00 O ATOM 728 CB LYS A 49 2.987 -8.392 8.029 1.00 0.00 C ATOM 729 CG LYS A 49 3.387 -7.082 7.346 1.00 0.00 C ATOM 730 CD LYS A 49 2.767 -5.905 8.102 1.00 0.00 C ATOM 731 CE LYS A 49 3.294 -5.888 9.539 1.00 0.00 C ATOM 732 NZ LYS A 49 3.455 -4.446 9.872 1.00 0.00 N ATOM 0 H LYS A 49 3.634 -10.556 9.222 1.00 0.00 H new ATOM 0 HA LYS A 49 3.212 -9.759 6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.902 -8.499 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.293 -8.372 9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.473 -6.985 7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.049 -7.081 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.012 -4.968 7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.680 -5.991 8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.597 -6.375 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.242 -6.420 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.814 -4.352 10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.129 -4.010 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.535 -3.967 9.795 1.00 0.00 H new ATOM 746 N VAL A 50 5.442 -8.454 6.236 1.00 0.00 N ATOM 747 CA VAL A 50 6.878 -8.134 5.969 1.00 0.00 C ATOM 748 C VAL A 50 6.990 -6.911 5.054 1.00 0.00 C ATOM 749 O VAL A 50 6.064 -6.135 4.922 1.00 0.00 O ATOM 750 CB VAL A 50 7.446 -9.377 5.275 1.00 0.00 C ATOM 751 CG1 VAL A 50 8.001 -10.342 6.324 1.00 0.00 C ATOM 752 CG2 VAL A 50 6.342 -10.074 4.475 1.00 0.00 C ATOM 0 H VAL A 50 4.772 -7.936 5.667 1.00 0.00 H new ATOM 0 HA VAL A 50 7.420 -7.896 6.884 1.00 0.00 H new ATOM 0 HB VAL A 50 8.246 -9.075 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.404 -11.225 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.792 -9.849 6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.202 -10.640 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.751 -10.957 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.538 -10.373 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.950 -9.389 3.723 1.00 0.00 H new ATOM 762 N CYS A 51 8.117 -6.735 4.416 1.00 0.00 N ATOM 763 CA CYS A 51 8.290 -5.568 3.506 1.00 0.00 C ATOM 764 C CYS A 51 8.325 -6.048 2.054 1.00 0.00 C ATOM 765 O CYS A 51 8.745 -7.153 1.769 1.00 0.00 O ATOM 766 CB CYS A 51 9.626 -4.949 3.911 1.00 0.00 C ATOM 767 SG CYS A 51 9.381 -3.864 5.339 1.00 0.00 S ATOM 0 H CYS A 51 8.926 -7.352 4.487 1.00 0.00 H new ATOM 0 HA CYS A 51 7.476 -4.847 3.582 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.343 -5.733 4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.044 -4.383 3.078 1.00 0.00 H new ATOM 0 HG CYS A 51 9.532 -2.625 4.974 1.00 0.00 H new ATOM 772 N LEU A 52 7.859 -5.247 1.137 1.00 0.00 N ATOM 773 CA LEU A 52 7.837 -5.677 -0.276 1.00 0.00 C ATOM 774 C LEU A 52 8.855 -4.904 -1.118 1.00 0.00 C ATOM 775 O LEU A 52 9.370 -3.876 -0.714 1.00 0.00 O ATOM 776 CB LEU A 52 6.419 -5.349 -0.712 1.00 0.00 C ATOM 777 CG LEU A 52 5.700 -6.630 -1.123 1.00 0.00 C ATOM 778 CD1 LEU A 52 4.191 -6.416 -1.017 1.00 0.00 C ATOM 779 CD2 LEU A 52 6.069 -6.985 -2.565 1.00 0.00 C ATOM 0 H LEU A 52 7.493 -4.311 1.312 1.00 0.00 H new ATOM 0 HA LEU A 52 8.100 -6.728 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.881 -4.863 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.437 -4.647 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 52 6.000 -7.445 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.673 -7.329 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.931 -6.165 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.892 -5.601 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.555 -7.900 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.769 -6.173 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.146 -7.135 -2.639 1.00 0.00 H new ATOM 791 N ASP A 53 9.134 -5.414 -2.292 1.00 0.00 N ATOM 792 CA ASP A 53 10.109 -4.763 -3.218 1.00 0.00 C ATOM 793 C ASP A 53 9.858 -3.250 -3.314 1.00 0.00 C ATOM 794 O ASP A 53 9.188 -2.678 -2.479 1.00 0.00 O ATOM 795 CB ASP A 53 9.847 -5.443 -4.562 1.00 0.00 C ATOM 796 CG ASP A 53 11.158 -6.005 -5.118 1.00 0.00 C ATOM 797 OD1 ASP A 53 11.978 -6.438 -4.325 1.00 0.00 O ATOM 798 OD2 ASP A 53 11.318 -5.991 -6.327 1.00 0.00 O ATOM 0 H ASP A 53 8.718 -6.272 -2.654 1.00 0.00 H new ATOM 0 HA ASP A 53 11.140 -4.872 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.119 -6.245 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.419 -4.729 -5.265 1.00 0.00 H new ATOM 803 N PRO A 54 10.415 -2.644 -4.335 1.00 0.00 N ATOM 804 CA PRO A 54 10.253 -1.188 -4.525 1.00 0.00 C ATOM 805 C PRO A 54 8.941 -0.907 -5.252 1.00 0.00 C ATOM 806 O PRO A 54 8.924 -0.630 -6.433 1.00 0.00 O ATOM 807 CB PRO A 54 11.450 -0.812 -5.392 1.00 0.00 C ATOM 808 CG PRO A 54 11.831 -2.064 -6.128 1.00 0.00 C ATOM 809 CD PRO A 54 11.230 -3.246 -5.398 1.00 0.00 C ATOM 0 HA PRO A 54 10.218 -0.624 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.194 -0.012 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.277 -0.450 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.467 -2.027 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.916 -2.160 -6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.623 -3.858 -6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.004 -3.894 -4.986 1.00 0.00 H new ATOM 817 N GLU A 55 7.839 -1.003 -4.562 1.00 0.00 N ATOM 818 CA GLU A 55 6.531 -0.773 -5.231 1.00 0.00 C ATOM 819 C GLU A 55 6.274 -1.937 -6.185 1.00 0.00 C ATOM 820 O GLU A 55 5.462 -1.859 -7.084 1.00 0.00 O ATOM 821 CB GLU A 55 6.691 0.556 -5.984 1.00 0.00 C ATOM 822 CG GLU A 55 6.757 0.312 -7.497 1.00 0.00 C ATOM 823 CD GLU A 55 7.441 1.500 -8.175 1.00 0.00 C ATOM 824 OE1 GLU A 55 8.661 1.527 -8.188 1.00 0.00 O ATOM 825 OE2 GLU A 55 6.735 2.361 -8.671 1.00 0.00 O ATOM 0 H GLU A 55 7.788 -1.230 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 55 5.687 -0.719 -4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.854 1.215 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.597 1.062 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.308 -0.605 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.753 0.179 -7.899 1.00 0.00 H new ATOM 832 N ALA A 56 6.983 -3.019 -5.993 1.00 0.00 N ATOM 833 CA ALA A 56 6.810 -4.195 -6.885 1.00 0.00 C ATOM 834 C ALA A 56 6.712 -3.721 -8.334 1.00 0.00 C ATOM 835 O ALA A 56 5.672 -3.818 -8.950 1.00 0.00 O ATOM 836 CB ALA A 56 5.507 -4.858 -6.431 1.00 0.00 C ATOM 0 H ALA A 56 7.676 -3.135 -5.253 1.00 0.00 H new ATOM 0 HA ALA A 56 7.645 -4.894 -6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.312 -5.737 -7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.596 -5.158 -5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.683 -4.152 -6.537 1.00 0.00 H new ATOM 842 N PRO A 57 7.812 -3.216 -8.828 1.00 0.00 N ATOM 843 CA PRO A 57 7.861 -2.715 -10.220 1.00 0.00 C ATOM 844 C PRO A 57 7.898 -3.896 -11.185 1.00 0.00 C ATOM 845 O PRO A 57 6.949 -4.158 -11.898 1.00 0.00 O ATOM 846 CB PRO A 57 9.159 -1.915 -10.271 1.00 0.00 C ATOM 847 CG PRO A 57 10.019 -2.492 -9.189 1.00 0.00 C ATOM 848 CD PRO A 57 9.100 -3.074 -8.143 1.00 0.00 C ATOM 0 HA PRO A 57 6.998 -2.112 -10.501 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.639 -2.005 -11.245 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.974 -0.854 -10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.678 -3.261 -9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.657 -1.722 -8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.466 -4.035 -7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.019 -2.418 -7.276 1.00 0.00 H new ATOM 856 N LEU A 58 8.974 -4.629 -11.198 1.00 0.00 N ATOM 857 CA LEU A 58 9.043 -5.807 -12.100 1.00 0.00 C ATOM 858 C LEU A 58 7.871 -6.732 -11.776 1.00 0.00 C ATOM 859 O LEU A 58 7.250 -7.300 -12.653 1.00 0.00 O ATOM 860 CB LEU A 58 10.376 -6.484 -11.777 1.00 0.00 C ATOM 861 CG LEU A 58 10.521 -7.753 -12.618 1.00 0.00 C ATOM 862 CD1 LEU A 58 11.990 -7.950 -12.996 1.00 0.00 C ATOM 863 CD2 LEU A 58 10.038 -8.958 -11.808 1.00 0.00 C ATOM 0 H LEU A 58 9.803 -4.464 -10.627 1.00 0.00 H new ATOM 0 HA LEU A 58 8.984 -5.546 -13.157 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.201 -5.802 -11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.423 -6.731 -10.716 1.00 0.00 H new ATOM 0 HG LEU A 58 9.922 -7.659 -13.524 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.093 -8.855 -13.595 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.336 -7.092 -13.572 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.589 -8.044 -12.090 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.141 -9.863 -12.406 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.637 -9.052 -10.902 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.991 -8.819 -11.538 1.00 0.00 H new ATOM 875 N VAL A 59 7.557 -6.875 -10.515 1.00 0.00 N ATOM 876 CA VAL A 59 6.415 -7.750 -10.126 1.00 0.00 C ATOM 877 C VAL A 59 5.118 -6.939 -10.065 1.00 0.00 C ATOM 878 O VAL A 59 4.079 -7.442 -9.685 1.00 0.00 O ATOM 879 CB VAL A 59 6.778 -8.278 -8.743 1.00 0.00 C ATOM 880 CG1 VAL A 59 5.653 -9.178 -8.239 1.00 0.00 C ATOM 881 CG2 VAL A 59 8.076 -9.082 -8.832 1.00 0.00 C ATOM 0 H VAL A 59 8.042 -6.424 -9.739 1.00 0.00 H new ATOM 0 HA VAL A 59 6.251 -8.555 -10.843 1.00 0.00 H new ATOM 0 HB VAL A 59 6.915 -7.444 -8.054 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.907 -9.559 -7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.727 -8.605 -8.181 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.520 -10.014 -8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.338 -9.461 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.939 -9.919 -9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.877 -8.440 -9.199 1.00 0.00 H new ATOM 891 N GLN A 60 5.171 -5.687 -10.427 1.00 0.00 N ATOM 892 CA GLN A 60 3.939 -4.848 -10.379 1.00 0.00 C ATOM 893 C GLN A 60 2.784 -5.567 -11.071 1.00 0.00 C ATOM 894 O GLN A 60 1.689 -5.644 -10.552 1.00 0.00 O ATOM 895 CB GLN A 60 4.295 -3.556 -11.114 1.00 0.00 C ATOM 896 CG GLN A 60 3.401 -2.417 -10.611 1.00 0.00 C ATOM 897 CD GLN A 60 3.678 -2.152 -9.126 1.00 0.00 C ATOM 898 OE1 GLN A 60 3.574 -3.042 -8.306 1.00 0.00 O ATOM 899 NE2 GLN A 60 4.020 -0.954 -8.740 1.00 0.00 N ATOM 0 H GLN A 60 6.011 -5.209 -10.753 1.00 0.00 H new ATOM 0 HA GLN A 60 3.619 -4.649 -9.356 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.344 -3.309 -10.949 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.164 -3.688 -12.188 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.587 -1.513 -11.191 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.352 -2.677 -10.753 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.109 -0.203 -9.425 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.199 -0.768 -7.753 1.00 0.00 H new ATOM 908 N LYS A 61 3.021 -6.103 -12.232 1.00 0.00 N ATOM 909 CA LYS A 61 1.929 -6.826 -12.942 1.00 0.00 C ATOM 910 C LYS A 61 1.213 -7.743 -11.953 1.00 0.00 C ATOM 911 O LYS A 61 0.004 -7.728 -11.833 1.00 0.00 O ATOM 912 CB LYS A 61 2.628 -7.641 -14.032 1.00 0.00 C ATOM 913 CG LYS A 61 1.636 -8.632 -14.645 1.00 0.00 C ATOM 914 CD LYS A 61 2.389 -9.622 -15.537 1.00 0.00 C ATOM 915 CE LYS A 61 3.202 -8.853 -16.582 1.00 0.00 C ATOM 916 NZ LYS A 61 3.878 -9.905 -17.391 1.00 0.00 N ATOM 0 H LYS A 61 3.917 -6.074 -12.719 1.00 0.00 H new ATOM 0 HA LYS A 61 1.183 -6.155 -13.368 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.018 -6.977 -14.803 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.479 -8.176 -13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.106 -9.167 -13.857 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.886 -8.098 -15.228 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.050 -10.243 -14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.685 -10.292 -16.030 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.559 -8.230 -17.203 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.927 -8.191 -16.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.456 -9.457 -18.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.489 -10.478 -16.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.162 -10.516 -17.834 1.00 0.00 H new ATOM 930 N ILE A 62 1.960 -8.523 -11.229 1.00 0.00 N ATOM 931 CA ILE A 62 1.344 -9.429 -10.221 1.00 0.00 C ATOM 932 C ILE A 62 0.694 -8.584 -9.123 1.00 0.00 C ATOM 933 O ILE A 62 -0.243 -9.002 -8.475 1.00 0.00 O ATOM 934 CB ILE A 62 2.514 -10.250 -9.678 1.00 0.00 C ATOM 935 CG1 ILE A 62 2.870 -11.348 -10.682 1.00 0.00 C ATOM 936 CG2 ILE A 62 2.122 -10.890 -8.347 1.00 0.00 C ATOM 937 CD1 ILE A 62 1.721 -12.353 -10.769 1.00 0.00 C ATOM 0 H ILE A 62 2.977 -8.574 -11.291 1.00 0.00 H new ATOM 0 HA ILE A 62 0.565 -10.073 -10.629 1.00 0.00 H new ATOM 0 HB ILE A 62 3.373 -9.597 -9.525 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.060 -10.911 -11.662 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.786 -11.853 -10.375 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.959 -11.474 -7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.865 -10.110 -7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.262 -11.543 -8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.975 -13.135 -11.484 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.553 -12.799 -9.789 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.815 -11.843 -11.096 1.00 0.00 H new ATOM 949 N ILE A 63 1.167 -7.380 -8.940 1.00 0.00 N ATOM 950 CA ILE A 63 0.563 -6.487 -7.919 1.00 0.00 C ATOM 951 C ILE A 63 -0.764 -5.979 -8.460 1.00 0.00 C ATOM 952 O ILE A 63 -1.800 -6.129 -7.844 1.00 0.00 O ATOM 953 CB ILE A 63 1.578 -5.353 -7.750 1.00 0.00 C ATOM 954 CG1 ILE A 63 2.296 -5.520 -6.413 1.00 0.00 C ATOM 955 CG2 ILE A 63 0.874 -3.996 -7.792 1.00 0.00 C ATOM 956 CD1 ILE A 63 2.798 -6.957 -6.302 1.00 0.00 C ATOM 0 H ILE A 63 1.949 -6.979 -9.458 1.00 0.00 H new ATOM 0 HA ILE A 63 0.361 -6.972 -6.964 1.00 0.00 H new ATOM 0 HB ILE A 63 2.300 -5.394 -8.566 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.130 -4.822 -6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.619 -5.292 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.609 -3.201 -7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.367 -3.878 -8.750 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.143 -3.940 -6.986 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.313 -7.090 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.953 -7.643 -6.356 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.487 -7.166 -7.120 1.00 0.00 H new ATOM 968 N GLN A 64 -0.745 -5.418 -9.630 1.00 0.00 N ATOM 969 CA GLN A 64 -2.018 -4.945 -10.228 1.00 0.00 C ATOM 970 C GLN A 64 -3.017 -6.095 -10.137 1.00 0.00 C ATOM 971 O GLN A 64 -4.210 -5.900 -10.021 1.00 0.00 O ATOM 972 CB GLN A 64 -1.680 -4.602 -11.686 1.00 0.00 C ATOM 973 CG GLN A 64 -2.506 -5.469 -12.639 1.00 0.00 C ATOM 974 CD GLN A 64 -2.308 -4.982 -14.076 1.00 0.00 C ATOM 975 OE1 GLN A 64 -1.702 -5.661 -14.881 1.00 0.00 O ATOM 976 NE2 GLN A 64 -2.795 -3.827 -14.434 1.00 0.00 N ATOM 0 H GLN A 64 0.090 -5.267 -10.196 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.451 -4.077 -9.730 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.882 -3.548 -11.875 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.617 -4.761 -11.867 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.203 -6.512 -12.553 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.561 -5.420 -12.370 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.304 -3.257 -13.759 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.667 -3.494 -15.390 1.00 0.00 H new ATOM 985 N LYS A 65 -2.516 -7.303 -10.158 1.00 0.00 N ATOM 986 CA LYS A 65 -3.405 -8.486 -10.040 1.00 0.00 C ATOM 987 C LYS A 65 -3.956 -8.542 -8.617 1.00 0.00 C ATOM 988 O LYS A 65 -5.086 -8.923 -8.386 1.00 0.00 O ATOM 989 CB LYS A 65 -2.507 -9.692 -10.321 1.00 0.00 C ATOM 990 CG LYS A 65 -3.300 -10.750 -11.093 1.00 0.00 C ATOM 991 CD LYS A 65 -2.503 -12.055 -11.135 1.00 0.00 C ATOM 992 CE LYS A 65 -2.304 -12.579 -9.710 1.00 0.00 C ATOM 993 NZ LYS A 65 -2.054 -14.038 -9.870 1.00 0.00 N ATOM 0 H LYS A 65 -1.523 -7.517 -10.253 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.252 -8.457 -10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.635 -9.383 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.138 -10.110 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.266 -10.916 -10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.501 -10.402 -12.106 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.030 -12.796 -11.736 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.537 -11.888 -11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.464 -12.085 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.184 -12.394 -9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.908 -14.470 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.873 -14.482 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.206 -14.183 -10.455 1.00 0.00 H new ATOM 1007 N ILE A 66 -3.158 -8.143 -7.663 1.00 0.00 N ATOM 1008 CA ILE A 66 -3.621 -8.145 -6.249 1.00 0.00 C ATOM 1009 C ILE A 66 -4.533 -6.939 -6.019 1.00 0.00 C ATOM 1010 O ILE A 66 -5.462 -6.982 -5.236 1.00 0.00 O ATOM 1011 CB ILE A 66 -2.342 -8.043 -5.409 1.00 0.00 C ATOM 1012 CG1 ILE A 66 -2.488 -8.911 -4.156 1.00 0.00 C ATOM 1013 CG2 ILE A 66 -2.098 -6.590 -4.991 1.00 0.00 C ATOM 1014 CD1 ILE A 66 -3.816 -8.593 -3.467 1.00 0.00 C ATOM 0 H ILE A 66 -2.203 -7.815 -7.805 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.192 -9.036 -5.987 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.497 -8.389 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.449 -9.966 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.659 -8.726 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.187 -6.531 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.991 -5.969 -5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.942 -6.235 -4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.920 -9.211 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.836 -7.541 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.639 -8.801 -4.150 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.272 -5.865 -6.712 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.113 -4.647 -6.565 1.00 0.00 C ATOM 1028 C LEU A 67 -6.416 -4.824 -7.345 1.00 0.00 C ATOM 1029 O LEU A 67 -7.462 -4.348 -6.950 1.00 0.00 O ATOM 1030 CB LEU A 67 -4.275 -3.519 -7.170 1.00 0.00 C ATOM 1031 CG LEU A 67 -3.409 -2.887 -6.081 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -2.071 -3.622 -6.008 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -3.165 -1.414 -6.417 1.00 0.00 C ATOM 0 H LEU A 67 -3.505 -5.780 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.382 -4.443 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.645 -3.908 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.926 -2.766 -7.614 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.918 -2.961 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.451 -3.173 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.245 -4.672 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.561 -3.546 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.547 -0.961 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.654 -1.340 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.119 -0.890 -6.472 1.00 0.00 H new ATOM 1045 N ASN A 68 -6.354 -5.510 -8.451 1.00 0.00 N ATOM 1046 CA ASN A 68 -7.579 -5.727 -9.266 1.00 0.00 C ATOM 1047 C ASN A 68 -8.287 -7.012 -8.826 1.00 0.00 C ATOM 1048 O ASN A 68 -9.325 -7.369 -9.347 1.00 0.00 O ATOM 1049 CB ASN A 68 -7.077 -5.855 -10.703 1.00 0.00 C ATOM 1050 CG ASN A 68 -7.997 -5.068 -11.638 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -8.893 -5.627 -12.240 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -7.814 -3.785 -11.785 1.00 0.00 N ATOM 0 H ASN A 68 -5.504 -5.931 -8.826 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.299 -4.916 -9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.057 -5.478 -10.778 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.052 -6.904 -10.998 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.423 -3.251 -12.405 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.062 -3.316 -11.280 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.733 -7.709 -7.871 1.00 0.00 N ATOM 1060 CA LYS A 69 -8.375 -8.970 -7.400 1.00 0.00 C ATOM 1061 C LYS A 69 -9.478 -8.659 -6.393 1.00 0.00 C ATOM 1062 O LYS A 69 -10.000 -9.531 -5.728 1.00 0.00 O ATOM 1063 CB LYS A 69 -7.254 -9.782 -6.751 1.00 0.00 C ATOM 1064 CG LYS A 69 -6.943 -11.007 -7.614 1.00 0.00 C ATOM 1065 CD LYS A 69 -7.884 -12.152 -7.233 1.00 0.00 C ATOM 1066 CE LYS A 69 -8.652 -12.616 -8.473 1.00 0.00 C ATOM 1067 NZ LYS A 69 -9.940 -13.151 -7.950 1.00 0.00 N ATOM 0 H LYS A 69 -6.865 -7.460 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.843 -9.520 -8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.362 -9.166 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.551 -10.095 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.061 -10.761 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.906 -11.312 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.314 -12.981 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.581 -11.823 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.819 -11.791 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.098 -13.381 -9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.523 -13.489 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.750 -13.939 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.448 -12.398 -7.443 1.00 0.00 H new ATOM 1310 N LYS B 13 -15.342 6.444 4.201 1.00 0.00 N ATOM 1311 CA LYS B 13 -15.173 6.633 2.733 1.00 0.00 C ATOM 1312 C LYS B 13 -13.694 6.512 2.359 1.00 0.00 C ATOM 1313 O LYS B 13 -12.896 5.980 3.107 1.00 0.00 O ATOM 1314 CB LYS B 13 -15.676 8.049 2.456 1.00 0.00 C ATOM 1315 CG LYS B 13 -16.977 7.983 1.656 1.00 0.00 C ATOM 1316 CD LYS B 13 -17.850 9.194 1.998 1.00 0.00 C ATOM 1317 CE LYS B 13 -18.815 9.471 0.844 1.00 0.00 C ATOM 1318 NZ LYS B 13 -19.935 8.511 1.040 1.00 0.00 N ATOM 0 HA LYS B 13 -15.716 5.886 2.153 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -15.841 8.577 3.395 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -14.924 8.611 1.902 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -16.759 7.969 0.588 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -17.511 7.061 1.885 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -18.408 9.006 2.915 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -17.224 10.067 2.180 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -19.170 10.501 0.865 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -18.330 9.320 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -20.639 8.640 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -19.568 7.538 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -20.382 8.683 1.963 1.00 0.00 H new ATOM 1332 N THR B 14 -13.320 7.003 1.211 1.00 0.00 N ATOM 1333 CA THR B 14 -11.898 6.920 0.790 1.00 0.00 C ATOM 1334 C THR B 14 -11.587 8.028 -0.216 1.00 0.00 C ATOM 1335 O THR B 14 -12.468 8.550 -0.870 1.00 0.00 O ATOM 1336 CB THR B 14 -11.763 5.554 0.130 1.00 0.00 C ATOM 1337 OG1 THR B 14 -13.048 5.090 -0.263 1.00 0.00 O ATOM 1338 CG2 THR B 14 -11.138 4.565 1.114 1.00 0.00 C ATOM 0 H THR B 14 -13.942 7.460 0.545 1.00 0.00 H new ATOM 0 HA THR B 14 -11.209 7.040 1.626 1.00 0.00 H new ATOM 0 HB THR B 14 -11.123 5.638 -0.748 1.00 0.00 H new ATOM 0 HG1 THR B 14 -12.962 4.212 -0.689 1.00 0.00 H new ATOM 0 HG21 THR B 14 -11.043 3.589 0.638 1.00 0.00 H new ATOM 0 HG22 THR B 14 -10.152 4.921 1.411 1.00 0.00 H new ATOM 0 HG23 THR B 14 -11.773 4.479 1.996 1.00 0.00 H new ATOM 1346 N LEU B 15 -10.343 8.392 -0.346 1.00 0.00 N ATOM 1347 CA LEU B 15 -9.983 9.464 -1.309 1.00 0.00 C ATOM 1348 C LEU B 15 -9.286 8.870 -2.531 1.00 0.00 C ATOM 1349 O LEU B 15 -8.558 7.903 -2.424 1.00 0.00 O ATOM 1350 CB LEU B 15 -9.027 10.364 -0.535 1.00 0.00 C ATOM 1351 CG LEU B 15 -9.726 10.888 0.717 1.00 0.00 C ATOM 1352 CD1 LEU B 15 -9.630 9.846 1.832 1.00 0.00 C ATOM 1353 CD2 LEU B 15 -9.052 12.182 1.169 1.00 0.00 C ATOM 0 H LEU B 15 -9.561 7.993 0.173 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.855 10.003 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.130 9.809 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.706 11.196 -1.161 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.775 11.082 0.493 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.129 10.222 2.725 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -10.110 8.922 1.509 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.582 9.650 2.058 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.549 12.558 2.063 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.003 11.987 1.392 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -9.122 12.925 0.375 1.00 0.00 H new ATOM 1365 N PRO B 16 -9.532 9.478 -3.654 1.00 0.00 N ATOM 1366 CA PRO B 16 -8.922 9.019 -4.916 1.00 0.00 C ATOM 1367 C PRO B 16 -7.499 9.567 -5.022 1.00 0.00 C ATOM 1368 O PRO B 16 -6.701 9.113 -5.815 1.00 0.00 O ATOM 1369 CB PRO B 16 -9.820 9.629 -5.987 1.00 0.00 C ATOM 1370 CG PRO B 16 -10.447 10.833 -5.347 1.00 0.00 C ATOM 1371 CD PRO B 16 -10.396 10.644 -3.850 1.00 0.00 C ATOM 0 HA PRO B 16 -8.850 7.935 -5.001 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -9.244 9.909 -6.869 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -10.579 8.918 -6.314 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -9.914 11.739 -5.635 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -11.478 10.949 -5.682 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -9.991 11.525 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -11.391 10.474 -3.438 1.00 0.00 H new ATOM 1379 N ARG B 17 -7.184 10.546 -4.221 1.00 0.00 N ATOM 1380 CA ARG B 17 -5.824 11.144 -4.260 1.00 0.00 C ATOM 1381 C ARG B 17 -5.580 11.956 -2.981 1.00 0.00 C ATOM 1382 O ARG B 17 -5.378 13.153 -3.026 1.00 0.00 O ATOM 1383 CB ARG B 17 -5.845 12.058 -5.486 1.00 0.00 C ATOM 1384 CG ARG B 17 -4.632 12.986 -5.453 1.00 0.00 C ATOM 1385 CD ARG B 17 -5.097 14.440 -5.558 1.00 0.00 C ATOM 1386 NE ARG B 17 -5.221 14.701 -7.019 1.00 0.00 N ATOM 1387 CZ ARG B 17 -4.153 14.918 -7.737 1.00 0.00 C ATOM 1388 NH1 ARG B 17 -3.157 15.600 -7.240 1.00 0.00 N ATOM 1389 NH2 ARG B 17 -4.080 14.452 -8.955 1.00 0.00 N ATOM 0 H ARG B 17 -7.817 10.960 -3.536 1.00 0.00 H new ATOM 0 HA ARG B 17 -5.031 10.398 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -5.834 11.461 -6.398 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -6.764 12.644 -5.500 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -4.073 12.838 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -3.957 12.749 -6.275 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -6.049 14.587 -5.049 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -4.380 15.118 -5.095 1.00 0.00 H new ATOM 0 HE ARG B 17 -6.141 14.710 -7.459 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -3.213 15.964 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -2.323 15.769 -7.803 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -4.857 13.919 -9.345 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -3.246 14.621 -9.517 1.00 0.00 H new ATOM 1403 N VAL B 18 -5.598 11.316 -1.840 1.00 0.00 N ATOM 1404 CA VAL B 18 -5.357 12.062 -0.563 1.00 0.00 C ATOM 1405 C VAL B 18 -4.210 13.046 -0.762 1.00 0.00 C ATOM 1406 O VAL B 18 -3.521 12.988 -1.756 1.00 0.00 O ATOM 1407 CB VAL B 18 -4.978 10.991 0.463 1.00 0.00 C ATOM 1408 CG1 VAL B 18 -6.247 10.370 1.047 1.00 0.00 C ATOM 1409 CG2 VAL B 18 -4.145 9.898 -0.215 1.00 0.00 C ATOM 0 H VAL B 18 -5.768 10.316 -1.735 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.227 12.634 -0.239 1.00 0.00 H new ATOM 0 HB VAL B 18 -4.395 11.450 1.261 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -5.976 9.608 1.777 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -6.840 11.144 1.534 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -6.831 9.915 0.247 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -3.877 9.137 0.518 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -4.727 9.441 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -3.238 10.337 -0.631 1.00 0.00 H new ATOM 1419 N ASP B 19 -3.992 13.943 0.170 1.00 0.00 N ATOM 1420 CA ASP B 19 -2.875 14.915 0.019 1.00 0.00 C ATOM 1421 C ASP B 19 -1.685 14.188 -0.608 1.00 0.00 C ATOM 1422 O ASP B 19 -0.699 13.889 0.035 1.00 0.00 O ATOM 1423 CB ASP B 19 -2.575 15.363 1.444 1.00 0.00 C ATOM 1424 CG ASP B 19 -1.751 16.651 1.419 1.00 0.00 C ATOM 1425 OD1 ASP B 19 -1.390 17.079 0.336 1.00 0.00 O ATOM 1426 OD2 ASP B 19 -1.494 17.187 2.485 1.00 0.00 O ATOM 0 H ASP B 19 -4.540 14.040 1.025 1.00 0.00 H new ATOM 0 HA ASP B 19 -3.104 15.767 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -3.506 15.526 1.987 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -2.030 14.582 1.974 1.00 0.00 H new ATOM 1431 N PHE B 20 -1.821 13.864 -1.860 1.00 0.00 N ATOM 1432 CA PHE B 20 -0.774 13.104 -2.586 1.00 0.00 C ATOM 1433 C PHE B 20 0.637 13.541 -2.220 1.00 0.00 C ATOM 1434 O PHE B 20 1.327 12.870 -1.480 1.00 0.00 O ATOM 1435 CB PHE B 20 -1.057 13.370 -4.058 1.00 0.00 C ATOM 1436 CG PHE B 20 -0.972 12.063 -4.781 1.00 0.00 C ATOM 1437 CD1 PHE B 20 -2.068 11.198 -4.789 1.00 0.00 C ATOM 1438 CD2 PHE B 20 0.215 11.703 -5.416 1.00 0.00 C ATOM 1439 CE1 PHE B 20 -1.979 9.971 -5.441 1.00 0.00 C ATOM 1440 CE2 PHE B 20 0.311 10.477 -6.064 1.00 0.00 C ATOM 1441 CZ PHE B 20 -0.792 9.606 -6.079 1.00 0.00 C ATOM 0 H PHE B 20 -2.637 14.101 -2.424 1.00 0.00 H new ATOM 0 HA PHE B 20 -0.813 12.046 -2.328 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.045 13.813 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -0.336 14.079 -4.464 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.983 11.480 -4.290 1.00 0.00 H new ATOM 0 HD2 PHE B 20 1.060 12.376 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -2.827 9.302 -5.453 1.00 0.00 H new ATOM 0 HE2 PHE B 20 1.231 10.194 -6.555 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.721 8.654 -6.584 1.00 0.00 H new ATOM 1451 N LYS B 21 1.091 14.633 -2.750 1.00 0.00 N ATOM 1452 CA LYS B 21 2.476 15.064 -2.441 1.00 0.00 C ATOM 1453 C LYS B 21 2.773 14.839 -0.953 1.00 0.00 C ATOM 1454 O LYS B 21 3.908 14.668 -0.555 1.00 0.00 O ATOM 1455 CB LYS B 21 2.526 16.551 -2.789 1.00 0.00 C ATOM 1456 CG LYS B 21 2.919 16.720 -4.258 1.00 0.00 C ATOM 1457 CD LYS B 21 4.131 17.647 -4.359 1.00 0.00 C ATOM 1458 CE LYS B 21 3.674 19.102 -4.237 1.00 0.00 C ATOM 1459 NZ LYS B 21 4.740 19.898 -4.904 1.00 0.00 N ATOM 0 H LYS B 21 0.569 15.243 -3.379 1.00 0.00 H new ATOM 0 HA LYS B 21 3.221 14.500 -3.003 1.00 0.00 H new ATOM 0 HB2 LYS B 21 1.555 17.011 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS B 21 3.245 17.061 -2.148 1.00 0.00 H new ATOM 0 HG2 LYS B 21 3.152 15.750 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS B 21 2.084 17.133 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS B 21 4.848 17.413 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS B 21 4.641 17.494 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS B 21 2.708 19.254 -4.719 1.00 0.00 H new ATOM 0 HE3 LYS B 21 3.559 19.393 -3.193 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 4.497 20.908 -4.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 5.647 19.739 -4.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 4.822 19.604 -5.898 1.00 0.00 H new ATOM 1473 N ASN B 22 1.756 14.831 -0.130 1.00 0.00 N ATOM 1474 CA ASN B 22 1.969 14.612 1.325 1.00 0.00 C ATOM 1475 C ASN B 22 1.974 13.117 1.636 1.00 0.00 C ATOM 1476 O ASN B 22 2.622 12.665 2.559 1.00 0.00 O ATOM 1477 CB ASN B 22 0.771 15.274 1.991 1.00 0.00 C ATOM 1478 CG ASN B 22 1.249 16.217 3.097 1.00 0.00 C ATOM 1479 OD1 ASN B 22 2.362 16.702 3.058 1.00 0.00 O ATOM 1480 ND2 ASN B 22 0.449 16.496 4.089 1.00 0.00 N ATOM 0 H ASN B 22 0.784 14.968 -0.408 1.00 0.00 H new ATOM 0 HA ASN B 22 2.919 15.019 1.671 1.00 0.00 H new ATOM 0 HB2 ASN B 22 0.193 15.829 1.252 1.00 0.00 H new ATOM 0 HB3 ASN B 22 0.110 14.515 2.408 1.00 0.00 H new ATOM 0 HD21 ASN B 22 0.758 17.122 4.833 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -0.485 16.088 4.121 1.00 0.00 H new ATOM 1487 N ILE B 23 1.241 12.352 0.879 1.00 0.00 N ATOM 1488 CA ILE B 23 1.179 10.886 1.127 1.00 0.00 C ATOM 1489 C ILE B 23 2.554 10.361 1.554 1.00 0.00 C ATOM 1490 O ILE B 23 3.423 10.125 0.739 1.00 0.00 O ATOM 1491 CB ILE B 23 0.739 10.276 -0.209 1.00 0.00 C ATOM 1492 CG1 ILE B 23 -0.771 10.027 -0.180 1.00 0.00 C ATOM 1493 CG2 ILE B 23 1.463 8.951 -0.447 1.00 0.00 C ATOM 1494 CD1 ILE B 23 -1.497 11.330 0.150 1.00 0.00 C ATOM 0 H ILE B 23 0.679 12.681 0.094 1.00 0.00 H new ATOM 0 HA ILE B 23 0.489 10.627 1.930 1.00 0.00 H new ATOM 0 HB ILE B 23 0.986 10.968 -1.014 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.106 9.646 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -1.011 9.267 0.563 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.143 8.527 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.539 9.123 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE B 23 1.224 8.256 0.358 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -2.572 11.152 0.171 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -1.170 11.692 1.125 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -1.267 12.077 -0.610 1.00 0.00 H new ATOM 1506 N GLN B 24 2.752 10.178 2.831 1.00 0.00 N ATOM 1507 CA GLN B 24 4.068 9.669 3.319 1.00 0.00 C ATOM 1508 C GLN B 24 4.021 8.150 3.487 1.00 0.00 C ATOM 1509 O GLN B 24 4.992 7.528 3.871 1.00 0.00 O ATOM 1510 CB GLN B 24 4.281 10.353 4.670 1.00 0.00 C ATOM 1511 CG GLN B 24 5.704 10.080 5.164 1.00 0.00 C ATOM 1512 CD GLN B 24 5.711 8.814 6.024 1.00 0.00 C ATOM 1513 OE1 GLN B 24 6.541 7.947 5.841 1.00 0.00 O ATOM 1514 NE2 GLN B 24 4.815 8.672 6.962 1.00 0.00 N ATOM 0 H GLN B 24 2.060 10.359 3.558 1.00 0.00 H new ATOM 0 HA GLN B 24 4.877 9.884 2.621 1.00 0.00 H new ATOM 0 HB2 GLN B 24 4.118 11.427 4.575 1.00 0.00 H new ATOM 0 HB3 GLN B 24 3.556 9.983 5.395 1.00 0.00 H new ATOM 0 HG2 GLN B 24 6.378 9.960 4.316 1.00 0.00 H new ATOM 0 HG3 GLN B 24 6.068 10.928 5.743 1.00 0.00 H new ATOM 0 HE21 GLN B 24 4.118 9.400 7.116 1.00 0.00 H new ATOM 0 HE22 GLN B 24 4.812 7.833 7.541 1.00 0.00 H new ATOM 1523 N SER B 25 2.903 7.547 3.201 1.00 0.00 N ATOM 1524 CA SER B 25 2.799 6.067 3.339 1.00 0.00 C ATOM 1525 C SER B 25 1.491 5.573 2.721 1.00 0.00 C ATOM 1526 O SER B 25 0.540 6.315 2.584 1.00 0.00 O ATOM 1527 CB SER B 25 2.817 5.803 4.845 1.00 0.00 C ATOM 1528 OG SER B 25 1.482 5.639 5.307 1.00 0.00 O ATOM 0 H SER B 25 2.056 8.014 2.877 1.00 0.00 H new ATOM 0 HA SER B 25 3.609 5.546 2.828 1.00 0.00 H new ATOM 0 HB2 SER B 25 3.402 4.910 5.063 1.00 0.00 H new ATOM 0 HB3 SER B 25 3.296 6.632 5.366 1.00 0.00 H new ATOM 0 HG SER B 25 1.488 5.468 6.272 1.00 0.00 H new ATOM 1534 N LEU B 26 1.435 4.328 2.345 1.00 0.00 N ATOM 1535 CA LEU B 26 0.185 3.794 1.736 1.00 0.00 C ATOM 1536 C LEU B 26 -0.120 2.404 2.290 1.00 0.00 C ATOM 1537 O LEU B 26 0.711 1.785 2.921 1.00 0.00 O ATOM 1538 CB LEU B 26 0.476 3.709 0.237 1.00 0.00 C ATOM 1539 CG LEU B 26 1.192 4.978 -0.223 1.00 0.00 C ATOM 1540 CD1 LEU B 26 1.720 4.780 -1.646 1.00 0.00 C ATOM 1541 CD2 LEU B 26 0.207 6.145 -0.206 1.00 0.00 C ATOM 0 H LEU B 26 2.198 3.657 2.432 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.677 4.425 1.953 1.00 0.00 H new ATOM 0 HB2 LEU B 26 1.093 2.835 0.026 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.454 3.584 -0.317 1.00 0.00 H new ATOM 0 HG LEU B 26 2.025 5.190 0.447 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.231 5.685 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.419 3.943 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU B 26 0.887 4.570 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.713 7.053 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.624 5.930 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.173 6.286 0.806 1.00 0.00 H new ATOM 1553 N SER B 27 -1.304 1.908 2.052 1.00 0.00 N ATOM 1554 CA SER B 27 -1.661 0.549 2.553 1.00 0.00 C ATOM 1555 C SER B 27 -2.902 0.025 1.825 1.00 0.00 C ATOM 1556 O SER B 27 -3.964 0.604 1.902 1.00 0.00 O ATOM 1557 CB SER B 27 -1.946 0.724 4.042 1.00 0.00 C ATOM 1558 OG SER B 27 -1.117 -0.158 4.786 1.00 0.00 O ATOM 0 H SER B 27 -2.040 2.385 1.532 1.00 0.00 H new ATOM 0 HA SER B 27 -0.862 -0.172 2.380 1.00 0.00 H new ATOM 0 HB2 SER B 27 -1.759 1.756 4.341 1.00 0.00 H new ATOM 0 HB3 SER B 27 -2.996 0.517 4.250 1.00 0.00 H new ATOM 0 HG SER B 27 -0.176 0.049 4.608 1.00 0.00 H new ATOM 1564 N VAL B 28 -2.781 -1.066 1.120 1.00 0.00 N ATOM 1565 CA VAL B 28 -3.965 -1.607 0.392 1.00 0.00 C ATOM 1566 C VAL B 28 -4.447 -2.903 1.047 1.00 0.00 C ATOM 1567 O VAL B 28 -3.698 -3.845 1.213 1.00 0.00 O ATOM 1568 CB VAL B 28 -3.471 -1.874 -1.029 1.00 0.00 C ATOM 1569 CG1 VAL B 28 -4.561 -2.596 -1.823 1.00 0.00 C ATOM 1570 CG2 VAL B 28 -3.143 -0.544 -1.710 1.00 0.00 C ATOM 0 H VAL B 28 -1.920 -1.604 1.016 1.00 0.00 H new ATOM 0 HA VAL B 28 -4.807 -0.915 0.407 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.577 -2.497 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -4.208 -2.786 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.798 -3.543 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -5.456 -1.974 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.790 -0.732 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -4.038 0.077 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -2.366 -0.028 -1.145 1.00 0.00 H new ATOM 1580 N THR B 29 -5.699 -2.958 1.415 1.00 0.00 N ATOM 1581 CA THR B 29 -6.238 -4.192 2.054 1.00 0.00 C ATOM 1582 C THR B 29 -7.498 -4.646 1.314 1.00 0.00 C ATOM 1583 O THR B 29 -8.314 -3.835 0.922 1.00 0.00 O ATOM 1584 CB THR B 29 -6.571 -3.785 3.490 1.00 0.00 C ATOM 1585 OG1 THR B 29 -6.991 -4.930 4.220 1.00 0.00 O ATOM 1586 CG2 THR B 29 -7.690 -2.744 3.481 1.00 0.00 C ATOM 0 H THR B 29 -6.372 -2.200 1.300 1.00 0.00 H new ATOM 0 HA THR B 29 -5.531 -5.021 2.026 1.00 0.00 H new ATOM 0 HB THR B 29 -5.686 -3.358 3.961 1.00 0.00 H new ATOM 0 HG1 THR B 29 -7.203 -4.671 5.141 1.00 0.00 H new ATOM 0 HG21 THR B 29 -7.926 -2.455 4.505 1.00 0.00 H new ATOM 0 HG22 THR B 29 -7.366 -1.866 2.922 1.00 0.00 H new ATOM 0 HG23 THR B 29 -8.577 -3.167 3.010 1.00 0.00 H new ATOM 1594 N PRO B 30 -7.607 -5.932 1.139 1.00 0.00 N ATOM 1595 CA PRO B 30 -8.773 -6.507 0.427 1.00 0.00 C ATOM 1596 C PRO B 30 -10.033 -6.440 1.295 1.00 0.00 C ATOM 1597 O PRO B 30 -10.000 -5.940 2.402 1.00 0.00 O ATOM 1598 CB PRO B 30 -8.356 -7.955 0.176 1.00 0.00 C ATOM 1599 CG PRO B 30 -7.342 -8.259 1.234 1.00 0.00 C ATOM 1600 CD PRO B 30 -6.662 -6.961 1.584 1.00 0.00 C ATOM 0 HA PRO B 30 -9.019 -5.971 -0.490 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -9.210 -8.628 0.244 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -7.933 -8.076 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -7.820 -8.692 2.113 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -6.617 -8.989 0.874 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -6.468 -6.888 2.654 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -5.701 -6.865 1.079 1.00 0.00 H new ATOM 1608 N PRO B 31 -11.110 -6.943 0.750 1.00 0.00 N ATOM 1609 CA PRO B 31 -12.410 -6.938 1.472 1.00 0.00 C ATOM 1610 C PRO B 31 -12.386 -7.890 2.666 1.00 0.00 C ATOM 1611 O PRO B 31 -11.999 -9.037 2.556 1.00 0.00 O ATOM 1612 CB PRO B 31 -13.407 -7.414 0.418 1.00 0.00 C ATOM 1613 CG PRO B 31 -12.588 -8.199 -0.553 1.00 0.00 C ATOM 1614 CD PRO B 31 -11.225 -7.562 -0.577 1.00 0.00 C ATOM 0 HA PRO B 31 -12.657 -5.959 1.883 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -14.190 -8.028 0.863 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -13.900 -6.573 -0.069 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -12.522 -9.244 -0.249 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -13.041 -8.183 -1.544 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -10.440 -8.300 -0.745 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -11.142 -6.822 -1.373 1.00 0.00 H new ATOM 1697 N THR B 38 -12.758 -3.688 -1.687 1.00 0.00 N ATOM 1698 CA THR B 38 -11.310 -3.379 -1.505 1.00 0.00 C ATOM 1699 C THR B 38 -11.141 -1.973 -0.927 1.00 0.00 C ATOM 1700 O THR B 38 -11.875 -1.064 -1.261 1.00 0.00 O ATOM 1701 CB THR B 38 -10.705 -3.456 -2.909 1.00 0.00 C ATOM 1702 OG1 THR B 38 -11.678 -3.952 -3.818 1.00 0.00 O ATOM 1703 CG2 THR B 38 -9.493 -4.390 -2.896 1.00 0.00 C ATOM 0 HA THR B 38 -10.825 -4.069 -0.815 1.00 0.00 H new ATOM 0 HB THR B 38 -10.390 -2.461 -3.222 1.00 0.00 H new ATOM 0 HG1 THR B 38 -12.525 -4.092 -3.346 1.00 0.00 H new ATOM 0 HG21 THR B 38 -9.064 -4.443 -3.897 1.00 0.00 H new ATOM 0 HG22 THR B 38 -8.746 -4.007 -2.201 1.00 0.00 H new ATOM 0 HG23 THR B 38 -9.805 -5.386 -2.581 1.00 0.00 H new ATOM 1711 N GLU B 39 -10.185 -1.787 -0.060 1.00 0.00 N ATOM 1712 CA GLU B 39 -9.983 -0.436 0.536 1.00 0.00 C ATOM 1713 C GLU B 39 -8.493 -0.117 0.666 1.00 0.00 C ATOM 1714 O GLU B 39 -7.666 -1.003 0.763 1.00 0.00 O ATOM 1715 CB GLU B 39 -10.630 -0.516 1.916 1.00 0.00 C ATOM 1716 CG GLU B 39 -11.161 0.861 2.299 1.00 0.00 C ATOM 1717 CD GLU B 39 -11.078 1.040 3.816 1.00 0.00 C ATOM 1718 OE1 GLU B 39 -10.044 0.713 4.375 1.00 0.00 O ATOM 1719 OE2 GLU B 39 -12.049 1.500 4.393 1.00 0.00 O ATOM 0 H GLU B 39 -9.538 -2.507 0.261 1.00 0.00 H new ATOM 0 HA GLU B 39 -10.418 0.350 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.442 -1.243 1.909 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.903 -0.857 2.653 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.582 1.637 1.799 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.193 0.969 1.966 1.00 0.00 H new ATOM 1726 N VAL B 40 -8.142 1.142 0.671 1.00 0.00 N ATOM 1727 CA VAL B 40 -6.703 1.506 0.796 1.00 0.00 C ATOM 1728 C VAL B 40 -6.478 2.408 2.011 1.00 0.00 C ATOM 1729 O VAL B 40 -7.407 2.894 2.623 1.00 0.00 O ATOM 1730 CB VAL B 40 -6.371 2.258 -0.489 1.00 0.00 C ATOM 1731 CG1 VAL B 40 -4.915 2.725 -0.451 1.00 0.00 C ATOM 1732 CG2 VAL B 40 -6.575 1.328 -1.682 1.00 0.00 C ATOM 0 H VAL B 40 -8.786 1.929 0.594 1.00 0.00 H new ATOM 0 HA VAL B 40 -6.073 0.628 0.934 1.00 0.00 H new ATOM 0 HB VAL B 40 -7.025 3.125 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -4.681 3.262 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -4.767 3.386 0.403 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -4.258 1.860 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -6.339 1.861 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -5.919 0.463 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -7.613 0.995 -1.711 1.00 0.00 H new ATOM 1742 N ILE B 41 -5.242 2.639 2.350 1.00 0.00 N ATOM 1743 CA ILE B 41 -4.923 3.513 3.511 1.00 0.00 C ATOM 1744 C ILE B 41 -3.651 4.297 3.202 1.00 0.00 C ATOM 1745 O ILE B 41 -2.632 3.728 2.866 1.00 0.00 O ATOM 1746 CB ILE B 41 -4.683 2.563 4.685 1.00 0.00 C ATOM 1747 CG1 ILE B 41 -5.669 1.393 4.623 1.00 0.00 C ATOM 1748 CG2 ILE B 41 -4.876 3.320 6.000 1.00 0.00 C ATOM 1749 CD1 ILE B 41 -7.078 1.897 4.935 1.00 0.00 C ATOM 0 H ILE B 41 -4.430 2.255 1.867 1.00 0.00 H new ATOM 0 HA ILE B 41 -5.718 4.225 3.731 1.00 0.00 H new ATOM 0 HB ILE B 41 -3.665 2.176 4.628 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -5.646 0.936 3.634 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -5.380 0.622 5.337 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -4.705 2.644 6.838 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -4.168 4.147 6.051 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -5.893 3.710 6.050 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -7.780 1.065 4.891 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -7.095 2.334 5.933 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -7.365 2.652 4.203 1.00 0.00 H new ATOM 1761 N ALA B 42 -3.693 5.590 3.297 1.00 0.00 N ATOM 1762 CA ALA B 42 -2.474 6.380 2.986 1.00 0.00 C ATOM 1763 C ALA B 42 -2.210 7.423 4.074 1.00 0.00 C ATOM 1764 O ALA B 42 -3.123 8.001 4.629 1.00 0.00 O ATOM 1765 CB ALA B 42 -2.787 7.065 1.657 1.00 0.00 C ATOM 0 H ALA B 42 -4.511 6.133 3.574 1.00 0.00 H new ATOM 0 HA ALA B 42 -1.583 5.755 2.933 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -1.935 7.673 1.351 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -2.986 6.310 0.896 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -3.664 7.702 1.774 1.00 0.00 H new ATOM 1771 N THR B 43 -0.965 7.683 4.363 1.00 0.00 N ATOM 1772 CA THR B 43 -0.635 8.702 5.395 1.00 0.00 C ATOM 1773 C THR B 43 -0.048 9.929 4.706 1.00 0.00 C ATOM 1774 O THR B 43 0.549 9.830 3.656 1.00 0.00 O ATOM 1775 CB THR B 43 0.408 8.046 6.301 1.00 0.00 C ATOM 1776 OG1 THR B 43 -0.197 6.986 7.028 1.00 0.00 O ATOM 1777 CG2 THR B 43 0.964 9.087 7.277 1.00 0.00 C ATOM 0 H THR B 43 -0.161 7.232 3.927 1.00 0.00 H new ATOM 0 HA THR B 43 -1.507 9.021 5.966 1.00 0.00 H new ATOM 0 HB THR B 43 1.221 7.650 5.693 1.00 0.00 H new ATOM 0 HG1 THR B 43 0.471 6.564 7.608 1.00 0.00 H new ATOM 0 HG21 THR B 43 1.707 8.620 7.923 1.00 0.00 H new ATOM 0 HG22 THR B 43 1.428 9.899 6.717 1.00 0.00 H new ATOM 0 HG23 THR B 43 0.152 9.484 7.886 1.00 0.00 H new ATOM 1785 N LEU B 44 -0.230 11.086 5.269 1.00 0.00 N ATOM 1786 CA LEU B 44 0.296 12.313 4.619 1.00 0.00 C ATOM 1787 C LEU B 44 1.485 12.882 5.396 1.00 0.00 C ATOM 1788 O LEU B 44 1.785 12.459 6.495 1.00 0.00 O ATOM 1789 CB LEU B 44 -0.876 13.282 4.665 1.00 0.00 C ATOM 1790 CG LEU B 44 -2.143 12.570 4.194 1.00 0.00 C ATOM 1791 CD1 LEU B 44 -3.362 13.411 4.563 1.00 0.00 C ATOM 1792 CD2 LEU B 44 -2.090 12.385 2.678 1.00 0.00 C ATOM 0 H LEU B 44 -0.720 11.236 6.151 1.00 0.00 H new ATOM 0 HA LEU B 44 0.656 12.124 3.608 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.012 13.657 5.679 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -0.674 14.145 4.031 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.214 11.595 4.675 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -4.268 12.905 4.228 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -3.399 13.543 5.644 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.291 14.386 4.080 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.994 11.877 2.342 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.020 13.360 2.195 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -1.218 11.786 2.415 1.00 0.00 H new ATOM 1804 N LYS B 45 2.163 13.843 4.827 1.00 0.00 N ATOM 1805 CA LYS B 45 3.332 14.444 5.527 1.00 0.00 C ATOM 1806 C LYS B 45 2.859 15.479 6.550 1.00 0.00 C ATOM 1807 O LYS B 45 2.203 16.444 6.212 1.00 0.00 O ATOM 1808 CB LYS B 45 4.152 15.116 4.425 1.00 0.00 C ATOM 1809 CG LYS B 45 5.618 14.698 4.552 1.00 0.00 C ATOM 1810 CD LYS B 45 6.387 15.763 5.334 1.00 0.00 C ATOM 1811 CE LYS B 45 7.736 15.196 5.782 1.00 0.00 C ATOM 1812 NZ LYS B 45 8.501 16.373 6.279 1.00 0.00 N ATOM 0 H LYS B 45 1.957 14.236 3.909 1.00 0.00 H new ATOM 0 HA LYS B 45 3.914 13.701 6.072 1.00 0.00 H new ATOM 0 HB2 LYS B 45 3.766 14.833 3.446 1.00 0.00 H new ATOM 0 HB3 LYS B 45 4.064 16.200 4.501 1.00 0.00 H new ATOM 0 HG2 LYS B 45 5.690 13.736 5.060 1.00 0.00 H new ATOM 0 HG3 LYS B 45 6.058 14.570 3.563 1.00 0.00 H new ATOM 0 HD2 LYS B 45 6.540 16.645 4.713 1.00 0.00 H new ATOM 0 HD3 LYS B 45 5.808 16.081 6.201 1.00 0.00 H new ATOM 0 HE2 LYS B 45 7.610 14.448 6.565 1.00 0.00 H new ATOM 0 HE3 LYS B 45 8.254 14.709 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 9.439 16.065 6.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 8.611 17.065 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 7.987 16.812 7.069 1.00 0.00 H new ATOM 1826 N GLY B 46 3.186 15.285 7.796 1.00 0.00 N ATOM 1827 CA GLY B 46 2.755 16.256 8.837 1.00 0.00 C ATOM 1828 C GLY B 46 1.984 15.522 9.936 1.00 0.00 C ATOM 1829 O GLY B 46 1.896 15.984 11.057 1.00 0.00 O ATOM 0 H GLY B 46 3.733 14.495 8.138 1.00 0.00 H new ATOM 0 HA2 GLY B 46 3.624 16.758 9.262 1.00 0.00 H new ATOM 0 HA3 GLY B 46 2.127 17.027 8.391 1.00 0.00 H new ATOM 1833 N GLY B 47 1.424 14.383 9.628 1.00 0.00 N ATOM 1834 CA GLY B 47 0.663 13.630 10.658 1.00 0.00 C ATOM 1835 C GLY B 47 -0.825 13.656 10.311 1.00 0.00 C ATOM 1836 O GLY B 47 -1.618 14.296 10.972 1.00 0.00 O ATOM 0 H GLY B 47 1.462 13.944 8.708 1.00 0.00 H new ATOM 0 HA2 GLY B 47 1.018 12.601 10.708 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.826 14.071 11.641 1.00 0.00 H new ATOM 1840 N GLN B 48 -1.206 12.964 9.278 1.00 0.00 N ATOM 1841 CA GLN B 48 -2.638 12.938 8.877 1.00 0.00 C ATOM 1842 C GLN B 48 -2.872 11.808 7.876 1.00 0.00 C ATOM 1843 O GLN B 48 -2.633 11.953 6.693 1.00 0.00 O ATOM 1844 CB GLN B 48 -2.896 14.298 8.228 1.00 0.00 C ATOM 1845 CG GLN B 48 -3.787 15.140 9.143 1.00 0.00 C ATOM 1846 CD GLN B 48 -5.081 15.497 8.408 1.00 0.00 C ATOM 1847 OE1 GLN B 48 -5.409 16.658 8.263 1.00 0.00 O ATOM 1848 NE2 GLN B 48 -5.834 14.542 7.936 1.00 0.00 N ATOM 0 H GLN B 48 -0.583 12.411 8.689 1.00 0.00 H new ATOM 0 HA GLN B 48 -3.306 12.764 9.721 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -1.952 14.812 8.049 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.375 14.165 7.258 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -4.015 14.588 10.055 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -3.264 16.048 9.442 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -5.558 13.568 8.058 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -6.699 14.770 7.445 1.00 0.00 H new ATOM 1857 N LYS B 49 -3.325 10.678 8.341 1.00 0.00 N ATOM 1858 CA LYS B 49 -3.559 9.534 7.419 1.00 0.00 C ATOM 1859 C LYS B 49 -5.050 9.287 7.240 1.00 0.00 C ATOM 1860 O LYS B 49 -5.883 9.873 7.903 1.00 0.00 O ATOM 1861 CB LYS B 49 -2.909 8.340 8.110 1.00 0.00 C ATOM 1862 CG LYS B 49 -3.317 7.034 7.423 1.00 0.00 C ATOM 1863 CD LYS B 49 -2.691 5.853 8.166 1.00 0.00 C ATOM 1864 CE LYS B 49 -3.204 5.827 9.608 1.00 0.00 C ATOM 1865 NZ LYS B 49 -3.364 4.383 9.934 1.00 0.00 N ATOM 0 H LYS B 49 -3.543 10.498 9.321 1.00 0.00 H new ATOM 0 HA LYS B 49 -3.147 9.717 6.426 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -1.824 8.446 8.088 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -3.205 8.314 9.159 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -4.403 6.938 7.414 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -2.989 7.039 6.383 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -2.941 4.919 7.663 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -1.604 5.939 8.157 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -2.500 6.309 10.286 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.151 6.360 9.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -3.713 4.284 10.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -4.045 3.952 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -2.446 3.903 9.845 1.00 0.00 H new ATOM 1879 N VAL B 50 -5.381 8.415 6.341 1.00 0.00 N ATOM 1880 CA VAL B 50 -6.820 8.099 6.086 1.00 0.00 C ATOM 1881 C VAL B 50 -6.942 6.881 5.163 1.00 0.00 C ATOM 1882 O VAL B 50 -6.018 6.104 5.019 1.00 0.00 O ATOM 1883 CB VAL B 50 -7.393 9.346 5.404 1.00 0.00 C ATOM 1884 CG1 VAL B 50 -7.937 10.306 6.463 1.00 0.00 C ATOM 1885 CG2 VAL B 50 -6.295 10.047 4.599 1.00 0.00 C ATOM 0 H VAL B 50 -4.718 7.899 5.763 1.00 0.00 H new ATOM 0 HA VAL B 50 -7.354 7.857 7.005 1.00 0.00 H new ATOM 0 HB VAL B 50 -8.199 9.048 4.733 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -8.344 11.192 5.976 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -8.724 9.811 7.033 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -7.131 10.600 7.136 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -6.707 10.933 4.116 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -5.486 10.341 5.267 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -5.909 9.366 3.840 1.00 0.00 H new ATOM 1895 N CYS B 51 -8.074 6.711 4.535 1.00 0.00 N ATOM 1896 CA CYS B 51 -8.257 5.549 3.619 1.00 0.00 C ATOM 1897 C CYS B 51 -8.306 6.038 2.172 1.00 0.00 C ATOM 1898 O CYS B 51 -8.727 7.144 1.897 1.00 0.00 O ATOM 1899 CB CYS B 51 -9.591 4.928 4.034 1.00 0.00 C ATOM 1900 SG CYS B 51 -9.332 3.835 5.454 1.00 0.00 S ATOM 0 H CYS B 51 -8.882 7.328 4.617 1.00 0.00 H new ATOM 0 HA CYS B 51 -7.443 4.827 3.683 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -10.305 5.711 4.290 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -10.017 4.367 3.203 1.00 0.00 H new ATOM 0 HG CYS B 51 -9.488 2.599 5.084 1.00 0.00 H new ATOM 1905 N LEU B 52 -7.849 5.240 1.245 1.00 0.00 N ATOM 1906 CA LEU B 52 -7.840 5.680 -0.165 1.00 0.00 C ATOM 1907 C LEU B 52 -8.867 4.913 -1.002 1.00 0.00 C ATOM 1908 O LEU B 52 -9.379 3.883 -0.599 1.00 0.00 O ATOM 1909 CB LEU B 52 -6.427 5.352 -0.617 1.00 0.00 C ATOM 1910 CG LEU B 52 -5.711 6.634 -1.027 1.00 0.00 C ATOM 1911 CD1 LEU B 52 -4.200 6.419 -0.936 1.00 0.00 C ATOM 1912 CD2 LEU B 52 -6.092 7.000 -2.464 1.00 0.00 C ATOM 0 H LEU B 52 -7.483 4.303 1.411 1.00 0.00 H new ATOM 0 HA LEU B 52 -8.102 6.732 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.882 4.860 0.189 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.455 4.655 -1.455 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.006 7.445 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -3.684 7.334 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -3.930 6.162 0.088 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -3.907 5.608 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -5.579 7.917 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -5.799 6.192 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -7.170 7.152 -2.527 1.00 0.00 H new ATOM 1924 N ASP B 53 -9.156 5.430 -2.170 1.00 0.00 N ATOM 1925 CA ASP B 53 -10.140 4.785 -3.091 1.00 0.00 C ATOM 1926 C ASP B 53 -9.893 3.273 -3.198 1.00 0.00 C ATOM 1927 O ASP B 53 -9.216 2.695 -2.373 1.00 0.00 O ATOM 1928 CB ASP B 53 -9.891 5.473 -4.433 1.00 0.00 C ATOM 1929 CG ASP B 53 -11.206 6.039 -4.974 1.00 0.00 C ATOM 1930 OD1 ASP B 53 -12.017 6.468 -4.171 1.00 0.00 O ATOM 1931 OD2 ASP B 53 -11.378 6.033 -6.182 1.00 0.00 O ATOM 0 H ASP B 53 -8.742 6.290 -2.530 1.00 0.00 H new ATOM 0 HA ASP B 53 -11.168 4.892 -2.744 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -9.162 6.274 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -9.470 4.763 -5.144 1.00 0.00 H new ATOM 1936 N PRO B 54 -10.460 2.673 -4.217 1.00 0.00 N ATOM 1937 CA PRO B 54 -10.302 1.217 -4.417 1.00 0.00 C ATOM 1938 C PRO B 54 -8.996 0.940 -5.158 1.00 0.00 C ATOM 1939 O PRO B 54 -8.991 0.668 -6.340 1.00 0.00 O ATOM 1940 CB PRO B 54 -11.505 0.848 -5.275 1.00 0.00 C ATOM 1941 CG PRO B 54 -11.891 2.105 -6.000 1.00 0.00 C ATOM 1942 CD PRO B 54 -11.284 3.282 -5.270 1.00 0.00 C ATOM 0 HA PRO B 54 -10.260 0.647 -3.489 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -11.255 0.053 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -12.327 0.483 -4.659 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -11.536 2.073 -7.030 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.976 2.202 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -10.683 3.897 -5.939 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.054 3.928 -4.848 1.00 0.00 H new ATOM 1950 N GLU B 55 -7.888 1.030 -4.478 1.00 0.00 N ATOM 1951 CA GLU B 55 -6.586 0.803 -5.161 1.00 0.00 C ATOM 1952 C GLU B 55 -6.337 1.973 -6.111 1.00 0.00 C ATOM 1953 O GLU B 55 -5.534 1.899 -7.017 1.00 0.00 O ATOM 1954 CB GLU B 55 -6.755 -0.522 -5.921 1.00 0.00 C ATOM 1955 CG GLU B 55 -6.834 -0.269 -7.432 1.00 0.00 C ATOM 1956 CD GLU B 55 -7.527 -1.451 -8.110 1.00 0.00 C ATOM 1957 OE1 GLU B 55 -8.747 -1.477 -8.112 1.00 0.00 O ATOM 1958 OE2 GLU B 55 -6.825 -2.311 -8.618 1.00 0.00 O ATOM 0 H GLU B 55 -7.828 1.250 -3.484 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.736 0.745 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -5.917 -1.184 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -7.659 -1.029 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -7.384 0.651 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -5.833 -0.136 -7.842 1.00 0.00 H new ATOM 1965 N ALA B 56 -7.043 3.054 -5.905 1.00 0.00 N ATOM 1966 CA ALA B 56 -6.876 4.235 -6.792 1.00 0.00 C ATOM 1967 C ALA B 56 -6.792 3.769 -8.245 1.00 0.00 C ATOM 1968 O ALA B 56 -5.759 3.868 -8.869 1.00 0.00 O ATOM 1969 CB ALA B 56 -5.568 4.894 -6.346 1.00 0.00 C ATOM 0 H ALA B 56 -7.729 3.167 -5.158 1.00 0.00 H new ATOM 0 HA ALA B 56 -7.709 4.935 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -5.378 5.776 -6.958 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -5.647 5.188 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.746 4.187 -6.463 1.00 0.00 H new ATOM 1975 N PRO B 57 -7.898 3.268 -8.731 1.00 0.00 N ATOM 1976 CA PRO B 57 -7.961 2.776 -10.125 1.00 0.00 C ATOM 1977 C PRO B 57 -8.005 3.963 -11.083 1.00 0.00 C ATOM 1978 O PRO B 57 -7.064 4.228 -11.803 1.00 0.00 O ATOM 1979 CB PRO B 57 -9.259 1.978 -10.168 1.00 0.00 C ATOM 1980 CG PRO B 57 -10.109 2.549 -9.076 1.00 0.00 C ATOM 1981 CD PRO B 57 -9.180 3.124 -8.034 1.00 0.00 C ATOM 0 HA PRO B 57 -7.101 2.174 -10.419 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -9.748 2.073 -11.138 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -9.073 0.916 -10.008 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.770 3.321 -9.469 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.744 1.777 -8.640 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.542 4.084 -7.665 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.092 2.463 -7.172 1.00 0.00 H new ATOM 1989 N LEU B 58 -9.082 4.697 -11.082 1.00 0.00 N ATOM 1990 CA LEU B 58 -9.157 5.880 -11.975 1.00 0.00 C ATOM 1991 C LEU B 58 -7.981 6.801 -11.658 1.00 0.00 C ATOM 1992 O LEU B 58 -7.367 7.374 -12.538 1.00 0.00 O ATOM 1993 CB LEU B 58 -10.486 6.557 -11.637 1.00 0.00 C ATOM 1994 CG LEU B 58 -10.637 7.831 -12.469 1.00 0.00 C ATOM 1995 CD1 LEU B 58 -12.110 8.031 -12.832 1.00 0.00 C ATOM 1996 CD2 LEU B 58 -10.145 9.031 -11.656 1.00 0.00 C ATOM 0 H LEU B 58 -9.906 4.529 -10.505 1.00 0.00 H new ATOM 0 HA LEU B 58 -9.107 5.624 -13.033 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -11.314 5.878 -11.840 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -10.524 6.797 -10.575 1.00 0.00 H new ATOM 0 HG LEU B 58 -10.047 7.742 -13.381 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -12.219 8.939 -13.425 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -12.462 7.176 -13.410 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -12.701 8.121 -11.920 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -10.252 9.940 -12.248 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -10.736 9.120 -10.744 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -9.096 8.889 -11.396 1.00 0.00 H new ATOM 2008 N VAL B 59 -7.655 6.936 -10.399 1.00 0.00 N ATOM 2009 CA VAL B 59 -6.509 7.809 -10.015 1.00 0.00 C ATOM 2010 C VAL B 59 -5.212 6.996 -9.971 1.00 0.00 C ATOM 2011 O VAL B 59 -4.168 7.496 -9.599 1.00 0.00 O ATOM 2012 CB VAL B 59 -6.858 8.328 -8.627 1.00 0.00 C ATOM 2013 CG1 VAL B 59 -5.726 9.224 -8.127 1.00 0.00 C ATOM 2014 CG2 VAL B 59 -8.156 9.134 -8.698 1.00 0.00 C ATOM 0 H VAL B 59 -8.133 6.480 -9.622 1.00 0.00 H new ATOM 0 HA VAL B 59 -6.351 8.618 -10.728 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.990 7.490 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -5.971 9.599 -7.133 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.801 8.650 -8.081 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.598 10.064 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -8.408 9.507 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -8.025 9.975 -9.379 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.961 8.495 -9.061 1.00 0.00 H new ATOM 2024 N GLN B 60 -5.269 5.747 -10.340 1.00 0.00 N ATOM 2025 CA GLN B 60 -4.038 4.906 -10.308 1.00 0.00 C ATOM 2026 C GLN B 60 -2.889 5.627 -11.007 1.00 0.00 C ATOM 2027 O GLN B 60 -1.788 5.700 -10.498 1.00 0.00 O ATOM 2028 CB GLN B 60 -4.402 3.618 -11.049 1.00 0.00 C ATOM 2029 CG GLN B 60 -3.504 2.475 -10.560 1.00 0.00 C ATOM 2030 CD GLN B 60 -3.768 2.202 -9.075 1.00 0.00 C ATOM 2031 OE1 GLN B 60 -3.656 3.087 -8.251 1.00 0.00 O ATOM 2032 NE2 GLN B 60 -4.109 1.001 -8.693 1.00 0.00 N ATOM 0 H GLN B 60 -6.112 5.272 -10.662 1.00 0.00 H new ATOM 0 HA GLN B 60 -3.710 4.700 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -5.450 3.371 -10.877 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -4.279 3.757 -12.123 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -3.696 1.575 -11.144 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -2.456 2.735 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -4.204 0.255 -9.382 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -4.280 0.809 -7.706 1.00 0.00 H new ATOM 2041 N LYS B 61 -3.136 6.170 -12.163 1.00 0.00 N ATOM 2042 CA LYS B 61 -2.050 6.897 -12.880 1.00 0.00 C ATOM 2043 C LYS B 61 -1.323 7.807 -11.892 1.00 0.00 C ATOM 2044 O LYS B 61 -0.114 7.790 -11.784 1.00 0.00 O ATOM 2045 CB LYS B 61 -2.758 7.718 -13.958 1.00 0.00 C ATOM 2046 CG LYS B 61 -1.772 8.712 -14.575 1.00 0.00 C ATOM 2047 CD LYS B 61 -2.531 9.707 -15.454 1.00 0.00 C ATOM 2048 CE LYS B 61 -3.354 8.946 -16.496 1.00 0.00 C ATOM 2049 NZ LYS B 61 -4.037 10.003 -17.292 1.00 0.00 N ATOM 0 H LYS B 61 -4.036 6.144 -12.642 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.309 6.229 -13.318 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -3.156 7.058 -14.729 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -3.605 8.251 -13.526 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -1.234 9.242 -13.789 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -1.028 8.181 -15.168 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -3.185 10.325 -14.840 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -1.830 10.379 -15.949 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -2.717 8.326 -17.127 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -4.075 8.281 -16.021 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -4.622 9.559 -18.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -4.642 10.573 -16.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -3.325 10.616 -17.738 1.00 0.00 H new ATOM 2063 N ILE B 62 -2.062 8.583 -11.156 1.00 0.00 N ATOM 2064 CA ILE B 62 -1.437 9.482 -10.148 1.00 0.00 C ATOM 2065 C ILE B 62 -0.778 8.630 -9.063 1.00 0.00 C ATOM 2066 O ILE B 62 0.167 9.044 -8.419 1.00 0.00 O ATOM 2067 CB ILE B 62 -2.601 10.302 -9.589 1.00 0.00 C ATOM 2068 CG1 ILE B 62 -2.965 11.406 -10.584 1.00 0.00 C ATOM 2069 CG2 ILE B 62 -2.196 10.933 -8.259 1.00 0.00 C ATOM 2070 CD1 ILE B 62 -1.815 12.411 -10.676 1.00 0.00 C ATOM 0 H ILE B 62 -3.079 8.635 -11.208 1.00 0.00 H new ATOM 0 HA ILE B 62 -0.662 10.128 -10.559 1.00 0.00 H new ATOM 0 HB ILE B 62 -3.460 9.650 -9.431 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -3.164 10.975 -11.565 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.878 11.910 -10.266 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -3.028 11.516 -7.865 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -1.934 10.149 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.336 11.585 -8.413 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.075 13.197 -11.385 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -1.637 12.851 -9.695 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -0.913 11.901 -11.014 1.00 0.00 H new ATOM 2082 N ILE B 63 -1.251 7.426 -8.880 1.00 0.00 N ATOM 2083 CA ILE B 63 -0.637 6.526 -7.871 1.00 0.00 C ATOM 2084 C ILE B 63 0.684 6.021 -8.428 1.00 0.00 C ATOM 2085 O ILE B 63 1.726 6.165 -7.822 1.00 0.00 O ATOM 2086 CB ILE B 63 -1.652 5.392 -7.699 1.00 0.00 C ATOM 2087 CG1 ILE B 63 -2.356 5.553 -6.354 1.00 0.00 C ATOM 2088 CG2 ILE B 63 -0.950 4.036 -7.756 1.00 0.00 C ATOM 2089 CD1 ILE B 63 -2.856 6.990 -6.231 1.00 0.00 C ATOM 0 H ILE B 63 -2.040 7.029 -9.390 1.00 0.00 H new ATOM 0 HA ILE B 63 -0.425 7.004 -6.915 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.382 5.438 -8.507 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.190 4.855 -6.278 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.671 5.320 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.685 3.240 -7.632 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.453 3.924 -8.719 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.211 3.975 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.361 7.119 -5.274 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.011 7.676 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.553 7.203 -7.041 1.00 0.00 H new ATOM 2101 N GLN B 64 0.653 5.467 -9.603 1.00 0.00 N ATOM 2102 CA GLN B 64 1.921 4.996 -10.214 1.00 0.00 C ATOM 2103 C GLN B 64 2.921 6.145 -10.125 1.00 0.00 C ATOM 2104 O GLN B 64 4.115 5.947 -10.022 1.00 0.00 O ATOM 2105 CB GLN B 64 1.568 4.660 -11.670 1.00 0.00 C ATOM 2106 CG GLN B 64 2.387 5.533 -12.626 1.00 0.00 C ATOM 2107 CD GLN B 64 2.174 5.056 -14.064 1.00 0.00 C ATOM 2108 OE1 GLN B 64 1.561 5.739 -14.859 1.00 0.00 O ATOM 2109 NE2 GLN B 64 2.657 3.901 -14.432 1.00 0.00 N ATOM 0 H GLN B 64 -0.187 5.321 -10.163 1.00 0.00 H new ATOM 0 HA GLN B 64 2.359 4.126 -9.725 1.00 0.00 H new ATOM 0 HB2 GLN B 64 1.767 3.607 -11.867 1.00 0.00 H new ATOM 0 HB3 GLN B 64 0.503 4.821 -11.840 1.00 0.00 H new ATOM 0 HG2 GLN B 64 2.087 6.576 -12.530 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.445 5.480 -12.367 1.00 0.00 H new ATOM 0 HE21 GLN B 64 3.172 3.327 -13.764 1.00 0.00 H new ATOM 0 HE22 GLN B 64 2.520 3.572 -15.388 1.00 0.00 H new ATOM 2118 N LYS B 65 2.421 7.352 -10.135 1.00 0.00 N ATOM 2119 CA LYS B 65 3.313 8.534 -10.018 1.00 0.00 C ATOM 2120 C LYS B 65 3.878 8.581 -8.599 1.00 0.00 C ATOM 2121 O LYS B 65 5.010 8.958 -8.377 1.00 0.00 O ATOM 2122 CB LYS B 65 2.414 9.743 -10.283 1.00 0.00 C ATOM 2123 CG LYS B 65 3.200 10.803 -11.056 1.00 0.00 C ATOM 2124 CD LYS B 65 2.404 12.110 -11.083 1.00 0.00 C ATOM 2125 CE LYS B 65 2.219 12.625 -9.655 1.00 0.00 C ATOM 2126 NZ LYS B 65 1.971 14.086 -9.802 1.00 0.00 N ATOM 0 H LYS B 65 1.428 7.567 -10.220 1.00 0.00 H new ATOM 0 HA LYS B 65 4.153 8.508 -10.712 1.00 0.00 H new ATOM 0 HB2 LYS B 65 1.536 9.439 -10.853 1.00 0.00 H new ATOM 0 HB3 LYS B 65 2.055 10.156 -9.340 1.00 0.00 H new ATOM 0 HG2 LYS B 65 4.170 10.965 -10.587 1.00 0.00 H new ATOM 0 HG3 LYS B 65 3.391 10.460 -12.073 1.00 0.00 H new ATOM 0 HD2 LYS B 65 2.927 12.854 -11.684 1.00 0.00 H new ATOM 0 HD3 LYS B 65 1.433 11.947 -11.551 1.00 0.00 H new ATOM 0 HE2 LYS B 65 1.382 12.130 -9.162 1.00 0.00 H new ATOM 0 HE3 LYS B 65 3.104 12.434 -9.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 1.834 14.511 -8.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 2.787 14.531 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 1.118 14.237 -10.378 1.00 0.00 H new ATOM 2140 N ILE B 66 3.087 8.177 -7.640 1.00 0.00 N ATOM 2141 CA ILE B 66 3.564 8.169 -6.231 1.00 0.00 C ATOM 2142 C ILE B 66 4.477 6.961 -6.016 1.00 0.00 C ATOM 2143 O ILE B 66 5.413 6.999 -5.243 1.00 0.00 O ATOM 2144 CB ILE B 66 2.294 8.065 -5.379 1.00 0.00 C ATOM 2145 CG1 ILE B 66 2.452 8.926 -4.124 1.00 0.00 C ATOM 2146 CG2 ILE B 66 2.052 6.610 -4.968 1.00 0.00 C ATOM 2147 CD1 ILE B 66 3.785 8.602 -3.448 1.00 0.00 C ATOM 0 H ILE B 66 2.130 7.852 -7.775 1.00 0.00 H new ATOM 0 HA ILE B 66 4.139 9.057 -5.970 1.00 0.00 H new ATOM 0 HB ILE B 66 1.444 8.416 -5.964 1.00 0.00 H new ATOM 0 HG12 ILE B 66 2.413 9.983 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE B 66 1.628 8.739 -3.436 1.00 0.00 H new ATOM 0 HG21 ILE B 66 1.147 6.548 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE B 66 1.935 5.995 -5.860 1.00 0.00 H new ATOM 0 HG23 ILE B 66 2.901 6.250 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE B 66 3.898 9.215 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE B 66 3.805 7.548 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE B 66 4.603 8.811 -4.137 1.00 0.00 H new ATOM 2159 N LEU B 67 4.208 5.892 -6.714 1.00 0.00 N ATOM 2160 CA LEU B 67 5.050 4.673 -6.582 1.00 0.00 C ATOM 2161 C LEU B 67 6.345 4.853 -7.373 1.00 0.00 C ATOM 2162 O LEU B 67 7.394 4.373 -6.991 1.00 0.00 O ATOM 2163 CB LEU B 67 4.204 3.550 -7.185 1.00 0.00 C ATOM 2164 CG LEU B 67 3.348 2.911 -6.092 1.00 0.00 C ATOM 2165 CD1 LEU B 67 2.012 3.648 -6.003 1.00 0.00 C ATOM 2166 CD2 LEU B 67 3.099 1.441 -6.434 1.00 0.00 C ATOM 0 H LEU B 67 3.435 5.812 -7.375 1.00 0.00 H new ATOM 0 HA LEU B 67 5.330 4.463 -5.550 1.00 0.00 H new ATOM 0 HB2 LEU B 67 3.567 3.945 -7.976 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.849 2.799 -7.641 1.00 0.00 H new ATOM 0 HG LEU B 67 3.866 2.977 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.398 3.195 -5.224 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.190 4.696 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.494 3.579 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.489 0.985 -5.655 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.579 1.373 -7.389 1.00 0.00 H new ATOM 0 HD23 LEU B 67 4.052 0.917 -6.502 1.00 0.00 H new ATOM 2178 N ASN B 68 6.273 5.545 -8.474 1.00 0.00 N ATOM 2179 CA ASN B 68 7.491 5.766 -9.300 1.00 0.00 C ATOM 2180 C ASN B 68 8.204 7.047 -8.858 1.00 0.00 C ATOM 2181 O ASN B 68 9.237 7.406 -9.388 1.00 0.00 O ATOM 2182 CB ASN B 68 6.975 5.903 -10.731 1.00 0.00 C ATOM 2183 CG ASN B 68 7.886 5.121 -11.679 1.00 0.00 C ATOM 2184 OD1 ASN B 68 8.777 5.683 -12.286 1.00 0.00 O ATOM 2185 ND2 ASN B 68 7.701 3.838 -11.832 1.00 0.00 N ATOM 0 H ASN B 68 5.420 5.969 -8.839 1.00 0.00 H new ATOM 0 HA ASN B 68 8.212 4.954 -9.203 1.00 0.00 H new ATOM 0 HB2 ASN B 68 5.954 5.527 -10.798 1.00 0.00 H new ATOM 0 HB3 ASN B 68 6.948 6.954 -11.020 1.00 0.00 H new ATOM 0 HD21 ASN B 68 8.304 3.307 -12.461 1.00 0.00 H new ATOM 0 HD22 ASN B 68 6.954 3.366 -11.323 1.00 0.00 H new ATOM 2192 N LYS B 69 7.660 7.739 -7.893 1.00 0.00 N ATOM 2193 CA LYS B 69 8.308 8.996 -7.422 1.00 0.00 C ATOM 2194 C LYS B 69 9.420 8.678 -6.427 1.00 0.00 C ATOM 2195 O LYS B 69 9.950 9.546 -5.762 1.00 0.00 O ATOM 2196 CB LYS B 69 7.194 9.805 -6.758 1.00 0.00 C ATOM 2197 CG LYS B 69 6.877 11.036 -7.609 1.00 0.00 C ATOM 2198 CD LYS B 69 7.823 12.179 -7.232 1.00 0.00 C ATOM 2199 CE LYS B 69 8.578 12.648 -8.476 1.00 0.00 C ATOM 2200 NZ LYS B 69 9.872 13.180 -7.962 1.00 0.00 N ATOM 0 H LYS B 69 6.796 7.488 -7.412 1.00 0.00 H new ATOM 0 HA LYS B 69 8.769 9.550 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS B 69 6.302 9.189 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS B 69 7.500 10.111 -5.757 1.00 0.00 H new ATOM 0 HG2 LYS B 69 6.984 10.796 -8.667 1.00 0.00 H new ATOM 0 HG3 LYS B 69 5.842 11.341 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS B 69 7.258 13.007 -6.803 1.00 0.00 H new ATOM 0 HD3 LYS B 69 8.528 11.846 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS B 69 8.738 11.826 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS B 69 8.020 13.416 -9.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 10.447 13.522 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 9.688 13.965 -7.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 10.384 12.425 -7.464 1.00 0.00 H new