USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=18 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 131:sc= -2! USER MOD Set 1.2: B 43 THR OG1 : rot 93:sc= -1.66! USER MOD Set 2.1: A 27 SER OG : rot 66:sc= 1.24 USER MOD Set 2.2: B 27 SER OG : rot 180:sc= 1.07 USER MOD Set 3.1: A 25 SER OG : rot 140:sc= -1.96! USER MOD Set 3.2: A 43 THR OG1 : rot 91:sc= -1.65! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -5.95! C(o=-5.9!,f=-7!) USER MOD Single : A 24 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 38 THR OG1 : rot 42:sc= 0.822 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot -142:sc= -0.925! USER MOD Single : A 60 GLN : amide:sc= -12.9! C(o=-13!,f=-14!) USER MOD Single : A 61 LYS NZ :NH3+ 146:sc= -0.194 (180deg=-1.54!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.122) 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= -0.0384 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -5.96! C(o=-6!,f=-6.9!) USER MOD Single : B 24 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.7!) USER MOD Single : B 29 THR OG1 : rot 180:sc= -1.13 USER MOD Single : B 38 THR OG1 : rot 8:sc= 0.878 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 CYS SG : rot -143:sc= -0.952! USER MOD Single : B 60 GLN : amide:sc= -12.8! C(o=-13!,f=-15!) USER MOD Single : B 61 LYS NZ :NH3+ 146:sc= -0.168 (180deg=-1.56!) USER MOD Single : B 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 65 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.108) 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 15.321 -6.463 4.710 1.00 0.00 N ATOM 178 CA LYS A 13 15.239 -6.812 3.266 1.00 0.00 C ATOM 179 C LYS A 13 13.798 -6.645 2.777 1.00 0.00 C ATOM 180 O LYS A 13 12.978 -6.032 3.432 1.00 0.00 O ATOM 181 CB LYS A 13 15.660 -8.278 3.190 1.00 0.00 C ATOM 182 CG LYS A 13 17.090 -8.373 2.656 1.00 0.00 C ATOM 183 CD LYS A 13 17.059 -8.685 1.159 1.00 0.00 C ATOM 184 CE LYS A 13 18.487 -8.902 0.653 1.00 0.00 C ATOM 185 NZ LYS A 13 18.364 -8.962 -0.830 1.00 0.00 N ATOM 0 HA LYS A 13 15.869 -6.176 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.598 -8.736 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.981 -8.829 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.617 -7.435 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.637 -9.151 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.457 -9.575 0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.590 -7.865 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 13 19.143 -8.089 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.912 -9.823 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.304 -9.109 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.739 -9.750 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.964 -8.069 -1.182 1.00 0.00 H new ATOM 199 N THR A 14 13.482 -7.184 1.634 1.00 0.00 N ATOM 200 CA THR A 14 12.096 -7.054 1.109 1.00 0.00 C ATOM 201 C THR A 14 11.823 -8.133 0.057 1.00 0.00 C ATOM 202 O THR A 14 12.729 -8.657 -0.560 1.00 0.00 O ATOM 203 CB THR A 14 12.047 -5.677 0.465 1.00 0.00 C ATOM 204 OG1 THR A 14 13.371 -5.200 0.260 1.00 0.00 O ATOM 205 CG2 THR A 14 11.286 -4.709 1.370 1.00 0.00 C ATOM 0 H THR A 14 14.124 -7.709 1.040 1.00 0.00 H new ATOM 0 HA THR A 14 11.349 -7.172 1.894 1.00 0.00 H new ATOM 0 HB THR A 14 11.535 -5.747 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.339 -4.313 -0.156 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.254 -3.724 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.270 -5.073 1.519 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.791 -4.638 2.333 1.00 0.00 H new ATOM 213 N LEU A 15 10.580 -8.460 -0.156 1.00 0.00 N ATOM 214 CA LEU A 15 10.240 -9.492 -1.170 1.00 0.00 C ATOM 215 C LEU A 15 9.573 -8.836 -2.382 1.00 0.00 C ATOM 216 O LEU A 15 8.836 -7.881 -2.244 1.00 0.00 O ATOM 217 CB LEU A 15 9.256 -10.418 -0.461 1.00 0.00 C ATOM 218 CG LEU A 15 9.922 -11.024 0.774 1.00 0.00 C ATOM 219 CD1 LEU A 15 9.841 -10.035 1.937 1.00 0.00 C ATOM 220 CD2 LEU A 15 9.201 -12.320 1.156 1.00 0.00 C ATOM 0 H LEU A 15 9.782 -8.054 0.332 1.00 0.00 H new ATOM 0 HA LEU A 15 11.118 -10.024 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.364 -9.863 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.933 -11.209 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 15 10.968 -11.239 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.316 -10.468 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.353 -9.112 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.796 -9.819 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.675 -12.754 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.156 -12.104 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.259 -13.026 0.328 1.00 0.00 H new ATOM 232 N PRO A 16 9.856 -9.376 -3.535 1.00 0.00 N ATOM 233 CA PRO A 16 9.278 -8.845 -4.785 1.00 0.00 C ATOM 234 C PRO A 16 7.865 -9.395 -4.973 1.00 0.00 C ATOM 235 O PRO A 16 7.105 -8.924 -5.792 1.00 0.00 O ATOM 236 CB PRO A 16 10.214 -9.377 -5.863 1.00 0.00 C ATOM 237 CG PRO A 16 10.834 -10.613 -5.281 1.00 0.00 C ATOM 238 CD PRO A 16 10.730 -10.524 -3.776 1.00 0.00 C ATOM 0 HA PRO A 16 9.196 -7.758 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.668 -9.605 -6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.975 -8.640 -6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.323 -11.504 -5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.877 -10.696 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.311 -11.437 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.709 -10.380 -3.319 1.00 0.00 H new ATOM 246 N ARG A 17 7.518 -10.396 -4.217 1.00 0.00 N ATOM 247 CA ARG A 17 6.164 -10.999 -4.337 1.00 0.00 C ATOM 248 C ARG A 17 5.875 -11.848 -3.093 1.00 0.00 C ATOM 249 O ARG A 17 5.654 -13.039 -3.182 1.00 0.00 O ATOM 250 CB ARG A 17 6.247 -11.879 -5.584 1.00 0.00 C ATOM 251 CG ARG A 17 4.923 -12.612 -5.779 1.00 0.00 C ATOM 252 CD ARG A 17 5.152 -13.872 -6.617 1.00 0.00 C ATOM 253 NE ARG A 17 3.789 -14.412 -6.877 1.00 0.00 N ATOM 254 CZ ARG A 17 3.644 -15.509 -7.571 1.00 0.00 C ATOM 255 NH1 ARG A 17 4.442 -15.757 -8.574 1.00 0.00 N ATOM 256 NH2 ARG A 17 2.701 -16.357 -7.262 1.00 0.00 N ATOM 0 H ARG A 17 8.120 -10.826 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 17 5.369 -10.258 -4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.469 -11.268 -6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.061 -12.597 -5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.498 -12.879 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.204 -11.959 -6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.669 -13.639 -7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.768 -14.595 -6.083 1.00 0.00 H new ATOM 0 HE ARG A 17 2.969 -13.926 -6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.179 -15.094 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.329 -16.614 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.077 -16.163 -6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.588 -17.214 -7.804 1.00 0.00 H new ATOM 270 N VAL A 18 5.880 -11.242 -1.934 1.00 0.00 N ATOM 271 CA VAL A 18 5.604 -12.022 -0.682 1.00 0.00 C ATOM 272 C VAL A 18 4.473 -13.012 -0.936 1.00 0.00 C ATOM 273 O VAL A 18 3.767 -12.896 -1.913 1.00 0.00 O ATOM 274 CB VAL A 18 5.183 -10.979 0.356 1.00 0.00 C ATOM 275 CG1 VAL A 18 6.428 -10.370 1.002 1.00 0.00 C ATOM 276 CG2 VAL A 18 4.371 -9.873 -0.324 1.00 0.00 C ATOM 0 H VAL A 18 6.062 -10.248 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 18 6.469 -12.595 -0.347 1.00 0.00 H new ATOM 0 HB VAL A 18 4.572 -11.459 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.128 -9.627 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.006 -11.155 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.039 -9.893 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.073 -9.132 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.980 -9.394 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.482 -10.305 -0.783 1.00 0.00 H new ATOM 286 N ASP A 19 4.289 -13.978 -0.066 1.00 0.00 N ATOM 287 CA ASP A 19 3.190 -14.965 -0.264 1.00 0.00 C ATOM 288 C ASP A 19 2.001 -14.246 -0.898 1.00 0.00 C ATOM 289 O ASP A 19 1.010 -13.953 -0.261 1.00 0.00 O ATOM 290 CB ASP A 19 2.867 -15.453 1.143 1.00 0.00 C ATOM 291 CG ASP A 19 2.109 -16.779 1.070 1.00 0.00 C ATOM 292 OD1 ASP A 19 1.798 -17.200 -0.032 1.00 0.00 O ATOM 293 OD2 ASP A 19 1.854 -17.352 2.116 1.00 0.00 O ATOM 0 H ASP A 19 4.854 -14.122 0.771 1.00 0.00 H new ATOM 0 HA ASP A 19 3.449 -15.796 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.787 -15.580 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.267 -14.709 1.667 1.00 0.00 H new ATOM 298 N PHE A 20 2.140 -13.921 -2.148 1.00 0.00 N ATOM 299 CA PHE A 20 1.091 -13.164 -2.873 1.00 0.00 C ATOM 300 C PHE A 20 -0.317 -13.631 -2.534 1.00 0.00 C ATOM 301 O PHE A 20 -1.023 -12.990 -1.784 1.00 0.00 O ATOM 302 CB PHE A 20 1.398 -13.393 -4.346 1.00 0.00 C ATOM 303 CG PHE A 20 1.308 -12.070 -5.034 1.00 0.00 C ATOM 304 CD1 PHE A 20 2.404 -11.206 -5.030 1.00 0.00 C ATOM 305 CD2 PHE A 20 0.116 -11.697 -5.651 1.00 0.00 C ATOM 306 CE1 PHE A 20 2.309 -9.961 -5.648 1.00 0.00 C ATOM 307 CE2 PHE A 20 0.016 -10.457 -6.271 1.00 0.00 C ATOM 308 CZ PHE A 20 1.117 -9.584 -6.268 1.00 0.00 C ATOM 0 H PHE A 20 2.958 -14.155 -2.711 1.00 0.00 H new ATOM 0 HA PHE A 20 1.109 -12.110 -2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.393 -13.822 -4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.691 -14.100 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.324 -11.502 -4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.729 -12.370 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.155 -9.290 -5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.905 -10.165 -6.754 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.041 -8.619 -6.747 1.00 0.00 H new ATOM 318 N LYS A 21 -0.751 -14.714 -3.099 1.00 0.00 N ATOM 319 CA LYS A 21 -2.132 -15.171 -2.816 1.00 0.00 C ATOM 320 C LYS A 21 -2.443 -14.994 -1.324 1.00 0.00 C ATOM 321 O LYS A 21 -3.584 -14.860 -0.928 1.00 0.00 O ATOM 322 CB LYS A 21 -2.160 -16.648 -3.209 1.00 0.00 C ATOM 323 CG LYS A 21 -2.278 -16.771 -4.729 1.00 0.00 C ATOM 324 CD LYS A 21 -3.705 -17.184 -5.098 1.00 0.00 C ATOM 325 CE LYS A 21 -3.990 -16.794 -6.549 1.00 0.00 C ATOM 326 NZ LYS A 21 -3.675 -18.015 -7.344 1.00 0.00 N ATOM 0 H LYS A 21 -0.215 -15.299 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.879 -14.601 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.253 -17.144 -2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.001 -17.147 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.029 -15.821 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.567 -17.508 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.829 -18.259 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.419 -16.698 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.030 -16.494 -6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.374 -15.950 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.846 -17.826 -8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.677 -18.272 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.282 -18.799 -7.031 1.00 0.00 H new ATOM 340 N ASN A 22 -1.430 -14.985 -0.495 1.00 0.00 N ATOM 341 CA ASN A 22 -1.654 -14.809 0.964 1.00 0.00 C ATOM 342 C ASN A 22 -1.684 -13.323 1.317 1.00 0.00 C ATOM 343 O ASN A 22 -2.341 -12.907 2.250 1.00 0.00 O ATOM 344 CB ASN A 22 -0.450 -15.473 1.616 1.00 0.00 C ATOM 345 CG ASN A 22 -0.921 -16.472 2.675 1.00 0.00 C ATOM 346 OD1 ASN A 22 -1.975 -17.061 2.544 1.00 0.00 O ATOM 347 ND2 ASN A 22 -0.177 -16.690 3.724 1.00 0.00 N ATOM 0 H ASN A 22 -0.454 -15.093 -0.772 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.600 -15.238 1.294 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.148 -15.984 0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.190 -14.718 2.073 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.480 -17.356 4.435 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.708 -16.195 3.833 1.00 0.00 H new ATOM 354 N ILE A 23 -0.963 -12.525 0.580 1.00 0.00 N ATOM 355 CA ILE A 23 -0.928 -11.065 0.871 1.00 0.00 C ATOM 356 C ILE A 23 -2.321 -10.572 1.279 1.00 0.00 C ATOM 357 O ILE A 23 -3.168 -10.314 0.450 1.00 0.00 O ATOM 358 CB ILE A 23 -0.467 -10.411 -0.439 1.00 0.00 C ATOM 359 CG1 ILE A 23 1.034 -10.124 -0.363 1.00 0.00 C ATOM 360 CG2 ILE A 23 -1.217 -9.098 -0.666 1.00 0.00 C ATOM 361 CD1 ILE A 23 1.786 -11.413 -0.034 1.00 0.00 C ATOM 0 H ILE A 23 -0.395 -12.822 -0.213 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.261 -10.819 1.697 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.675 -11.090 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.385 -9.718 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.232 -9.371 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.881 -8.644 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.287 -9.296 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.018 -8.417 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.855 -11.207 0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.442 -11.800 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.598 -12.153 -0.812 1.00 0.00 H new ATOM 373 N GLN A 24 -2.559 -10.444 2.556 1.00 0.00 N ATOM 374 CA GLN A 24 -3.896 -9.970 3.022 1.00 0.00 C ATOM 375 C GLN A 24 -3.849 -8.475 3.350 1.00 0.00 C ATOM 376 O GLN A 24 -4.804 -7.909 3.842 1.00 0.00 O ATOM 377 CB GLN A 24 -4.191 -10.786 4.281 1.00 0.00 C ATOM 378 CG GLN A 24 -5.703 -10.954 4.439 1.00 0.00 C ATOM 379 CD GLN A 24 -6.258 -9.812 5.292 1.00 0.00 C ATOM 380 OE1 GLN A 24 -5.551 -9.240 6.097 1.00 0.00 O ATOM 381 NE2 GLN A 24 -7.505 -9.452 5.148 1.00 0.00 N ATOM 0 H GLN A 24 -1.888 -10.646 3.297 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.665 -10.101 2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.711 -11.762 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.777 -10.286 5.156 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.183 -10.957 3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.926 -11.913 4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.100 -9.932 4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.884 -8.691 5.711 1.00 0.00 H new ATOM 390 N SER A 25 -2.750 -7.832 3.073 1.00 0.00 N ATOM 391 CA SER A 25 -2.649 -6.373 3.362 1.00 0.00 C ATOM 392 C SER A 25 -1.376 -5.803 2.734 1.00 0.00 C ATOM 393 O SER A 25 -0.473 -6.530 2.370 1.00 0.00 O ATOM 394 CB SER A 25 -2.592 -6.268 4.886 1.00 0.00 C ATOM 395 OG SER A 25 -1.269 -5.935 5.286 1.00 0.00 O ATOM 0 H SER A 25 -1.918 -8.252 2.659 1.00 0.00 H new ATOM 0 HA SER A 25 -3.488 -5.811 2.951 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.292 -5.509 5.236 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.894 -7.213 5.338 1.00 0.00 H new ATOM 0 HG SER A 25 -1.303 -5.287 6.021 1.00 0.00 H new ATOM 401 N LEU A 26 -1.299 -4.510 2.598 1.00 0.00 N ATOM 402 CA LEU A 26 -0.085 -3.899 1.988 1.00 0.00 C ATOM 403 C LEU A 26 0.172 -2.517 2.589 1.00 0.00 C ATOM 404 O LEU A 26 -0.727 -1.869 3.082 1.00 0.00 O ATOM 405 CB LEU A 26 -0.408 -3.783 0.498 1.00 0.00 C ATOM 406 CG LEU A 26 0.271 -4.922 -0.262 1.00 0.00 C ATOM 407 CD1 LEU A 26 -0.173 -4.894 -1.726 1.00 0.00 C ATOM 408 CD2 LEU A 26 1.790 -4.751 -0.188 1.00 0.00 C ATOM 0 H LEU A 26 -2.023 -3.850 2.882 1.00 0.00 H new ATOM 0 HA LEU A 26 0.811 -4.494 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.486 -3.822 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.066 -2.822 0.115 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.010 -5.875 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.311 -5.706 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.255 -5.015 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.108 -3.941 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.274 -5.563 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.071 -3.798 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.108 -4.770 0.854 1.00 0.00 H new ATOM 420 N SER A 27 1.395 -2.064 2.545 1.00 0.00 N ATOM 421 CA SER A 27 1.719 -0.720 3.103 1.00 0.00 C ATOM 422 C SER A 27 2.888 -0.115 2.324 1.00 0.00 C ATOM 423 O SER A 27 4.001 -0.595 2.389 1.00 0.00 O ATOM 424 CB SER A 27 2.109 -0.972 4.558 1.00 0.00 C ATOM 425 OG SER A 27 1.311 -0.155 5.405 1.00 0.00 O ATOM 0 H SER A 27 2.186 -2.568 2.145 1.00 0.00 H new ATOM 0 HA SER A 27 0.885 -0.022 3.031 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.967 -2.023 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.165 -0.749 4.708 1.00 0.00 H new ATOM 0 HG SER A 27 0.374 -0.436 5.343 1.00 0.00 H new ATOM 431 N VAL A 28 2.651 0.927 1.577 1.00 0.00 N ATOM 432 CA VAL A 28 3.759 1.530 0.786 1.00 0.00 C ATOM 433 C VAL A 28 4.178 2.882 1.366 1.00 0.00 C ATOM 434 O VAL A 28 3.366 3.760 1.580 1.00 0.00 O ATOM 435 CB VAL A 28 3.185 1.715 -0.619 1.00 0.00 C ATOM 436 CG1 VAL A 28 4.184 2.487 -1.482 1.00 0.00 C ATOM 437 CG2 VAL A 28 2.921 0.346 -1.249 1.00 0.00 C ATOM 0 H VAL A 28 1.744 1.384 1.480 1.00 0.00 H new ATOM 0 HA VAL A 28 4.648 0.899 0.795 1.00 0.00 H new ATOM 0 HB VAL A 28 2.251 2.273 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.774 2.619 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.372 3.464 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.119 1.930 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.512 0.479 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.855 -0.213 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.208 -0.205 -0.636 1.00 0.00 H new ATOM 447 N THR A 29 5.447 3.051 1.609 1.00 0.00 N ATOM 448 CA THR A 29 5.943 4.342 2.164 1.00 0.00 C ATOM 449 C THR A 29 7.269 4.707 1.494 1.00 0.00 C ATOM 450 O THR A 29 8.022 3.839 1.101 1.00 0.00 O ATOM 451 CB THR A 29 6.143 4.084 3.659 1.00 0.00 C ATOM 452 OG1 THR A 29 6.270 5.325 4.339 1.00 0.00 O ATOM 453 CG2 THR A 29 7.409 3.252 3.873 1.00 0.00 C ATOM 0 H THR A 29 6.167 2.347 1.446 1.00 0.00 H new ATOM 0 HA THR A 29 5.253 5.168 1.991 1.00 0.00 H new ATOM 0 HB THR A 29 5.284 3.539 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.396 5.162 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.549 3.070 4.939 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.311 2.300 3.352 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.270 3.793 3.481 1.00 0.00 H new ATOM 461 N PRO A 30 7.508 5.982 1.380 1.00 0.00 N ATOM 462 CA PRO A 30 8.755 6.462 0.742 1.00 0.00 C ATOM 463 C PRO A 30 9.954 6.207 1.656 1.00 0.00 C ATOM 464 O PRO A 30 9.796 5.906 2.823 1.00 0.00 O ATOM 465 CB PRO A 30 8.512 7.956 0.555 1.00 0.00 C ATOM 466 CG PRO A 30 7.496 8.315 1.593 1.00 0.00 C ATOM 467 CD PRO A 30 6.654 7.086 1.830 1.00 0.00 C ATOM 0 HA PRO A 30 8.980 5.956 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.432 8.525 0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.146 8.174 -0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.983 8.633 2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.878 9.147 1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.387 6.981 2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.722 7.125 1.266 1.00 0.00 H new ATOM 475 N PRO A 31 11.118 6.329 1.084 1.00 0.00 N ATOM 476 CA PRO A 31 12.370 6.101 1.843 1.00 0.00 C ATOM 477 C PRO A 31 12.670 7.277 2.772 1.00 0.00 C ATOM 478 O PRO A 31 11.955 8.258 2.808 1.00 0.00 O ATOM 479 CB PRO A 31 13.432 5.999 0.756 1.00 0.00 C ATOM 480 CG PRO A 31 12.877 6.756 -0.409 1.00 0.00 C ATOM 481 CD PRO A 31 11.374 6.688 -0.314 1.00 0.00 C ATOM 0 HA PRO A 31 12.320 5.218 2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.378 6.427 1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.627 4.959 0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.217 7.792 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.223 6.323 -1.348 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.915 7.643 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.965 5.944 -0.998 1.00 0.00 H new ATOM 564 N THR A 38 12.295 3.707 -1.880 1.00 0.00 N ATOM 565 CA THR A 38 10.894 3.461 -1.426 1.00 0.00 C ATOM 566 C THR A 38 10.739 2.013 -0.958 1.00 0.00 C ATOM 567 O THR A 38 11.374 1.114 -1.472 1.00 0.00 O ATOM 568 CB THR A 38 10.027 3.716 -2.662 1.00 0.00 C ATOM 569 OG1 THR A 38 10.787 4.416 -3.636 1.00 0.00 O ATOM 570 CG2 THR A 38 8.803 4.550 -2.273 1.00 0.00 C ATOM 0 HA THR A 38 10.613 4.100 -0.589 1.00 0.00 H new ATOM 0 HB THR A 38 9.696 2.762 -3.073 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.692 4.042 -3.675 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.189 4.729 -3.156 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.218 4.012 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.129 5.504 -1.859 1.00 0.00 H new ATOM 578 N GLU A 39 9.903 1.777 0.016 1.00 0.00 N ATOM 579 CA GLU A 39 9.717 0.386 0.512 1.00 0.00 C ATOM 580 C GLU A 39 8.252 0.138 0.878 1.00 0.00 C ATOM 581 O GLU A 39 7.511 1.058 1.165 1.00 0.00 O ATOM 582 CB GLU A 39 10.599 0.298 1.754 1.00 0.00 C ATOM 583 CG GLU A 39 11.095 -1.134 1.908 1.00 0.00 C ATOM 584 CD GLU A 39 10.391 -1.797 3.093 1.00 0.00 C ATOM 585 OE1 GLU A 39 9.187 -1.639 3.204 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.068 -2.448 3.870 1.00 0.00 O ATOM 0 H GLU A 39 9.342 2.486 0.488 1.00 0.00 H new ATOM 0 HA GLU A 39 9.982 -0.359 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.443 0.982 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.036 0.599 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.900 -1.697 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.174 -1.141 2.063 1.00 0.00 H new ATOM 593 N VAL A 40 7.823 -1.097 0.868 1.00 0.00 N ATOM 594 CA VAL A 40 6.401 -1.386 1.215 1.00 0.00 C ATOM 595 C VAL A 40 6.315 -2.423 2.335 1.00 0.00 C ATOM 596 O VAL A 40 7.308 -2.951 2.793 1.00 0.00 O ATOM 597 CB VAL A 40 5.782 -1.953 -0.063 1.00 0.00 C ATOM 598 CG1 VAL A 40 4.263 -1.786 -0.019 1.00 0.00 C ATOM 599 CG2 VAL A 40 6.341 -1.209 -1.274 1.00 0.00 C ATOM 0 H VAL A 40 8.391 -1.912 0.636 1.00 0.00 H new ATOM 0 HA VAL A 40 5.887 -0.491 1.566 1.00 0.00 H new ATOM 0 HB VAL A 40 6.026 -3.012 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.826 -2.191 -0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.863 -2.320 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.016 -0.728 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.900 -1.613 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.100 -0.149 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.423 -1.333 -1.309 1.00 0.00 H new ATOM 609 N ILE A 41 5.123 -2.722 2.761 1.00 0.00 N ATOM 610 CA ILE A 41 4.931 -3.733 3.836 1.00 0.00 C ATOM 611 C ILE A 41 3.653 -4.514 3.551 1.00 0.00 C ATOM 612 O ILE A 41 2.559 -3.988 3.625 1.00 0.00 O ATOM 613 CB ILE A 41 4.805 -2.934 5.134 1.00 0.00 C ATOM 614 CG1 ILE A 41 5.826 -1.794 5.133 1.00 0.00 C ATOM 615 CG2 ILE A 41 5.071 -3.854 6.326 1.00 0.00 C ATOM 616 CD1 ILE A 41 5.618 -0.921 6.372 1.00 0.00 C ATOM 0 H ILE A 41 4.262 -2.305 2.407 1.00 0.00 H new ATOM 0 HA ILE A 41 5.752 -4.448 3.899 1.00 0.00 H new ATOM 0 HB ILE A 41 3.799 -2.521 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.838 -2.198 5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.716 -1.194 4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.981 -3.285 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.345 -4.667 6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.077 -4.267 6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.345 -0.109 6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.610 -0.506 6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.750 -1.525 7.269 1.00 0.00 H new ATOM 628 N ALA A 42 3.783 -5.757 3.195 1.00 0.00 N ATOM 629 CA ALA A 42 2.576 -6.561 2.869 1.00 0.00 C ATOM 630 C ALA A 42 2.306 -7.619 3.938 1.00 0.00 C ATOM 631 O ALA A 42 3.212 -8.171 4.529 1.00 0.00 O ATOM 632 CB ALA A 42 2.919 -7.225 1.539 1.00 0.00 C ATOM 0 H ALA A 42 4.671 -6.252 3.115 1.00 0.00 H new ATOM 0 HA ALA A 42 1.676 -5.947 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.082 -7.844 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.115 -6.458 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.805 -7.848 1.661 1.00 0.00 H new ATOM 638 N THR A 43 1.057 -7.915 4.168 1.00 0.00 N ATOM 639 CA THR A 43 0.703 -8.951 5.176 1.00 0.00 C ATOM 640 C THR A 43 0.179 -10.184 4.450 1.00 0.00 C ATOM 641 O THR A 43 -0.364 -10.086 3.372 1.00 0.00 O ATOM 642 CB THR A 43 -0.400 -8.325 6.030 1.00 0.00 C ATOM 643 OG1 THR A 43 0.113 -7.191 6.713 1.00 0.00 O ATOM 644 CG2 THR A 43 -0.905 -9.353 7.045 1.00 0.00 C ATOM 0 H THR A 43 0.263 -7.481 3.698 1.00 0.00 H new ATOM 0 HA THR A 43 1.553 -9.255 5.787 1.00 0.00 H new ATOM 0 HB THR A 43 -1.225 -8.016 5.388 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.020 -6.390 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.691 -8.907 7.654 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.302 -10.220 6.518 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.081 -9.665 7.687 1.00 0.00 H new ATOM 652 N LEU A 44 0.352 -11.342 5.014 1.00 0.00 N ATOM 653 CA LEU A 44 -0.120 -12.571 4.326 1.00 0.00 C ATOM 654 C LEU A 44 -1.338 -13.165 5.036 1.00 0.00 C ATOM 655 O LEU A 44 -1.706 -12.749 6.116 1.00 0.00 O ATOM 656 CB LEU A 44 1.063 -13.521 4.420 1.00 0.00 C ATOM 657 CG LEU A 44 2.336 -12.791 3.995 1.00 0.00 C ATOM 658 CD1 LEU A 44 3.549 -13.651 4.337 1.00 0.00 C ATOM 659 CD2 LEU A 44 2.298 -12.541 2.486 1.00 0.00 C ATOM 0 H LEU A 44 0.798 -11.491 5.919 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.431 -12.378 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.166 -13.891 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.898 -14.389 3.782 1.00 0.00 H new ATOM 0 HG LEU A 44 2.404 -11.838 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.459 -13.133 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.575 -13.833 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.481 -14.602 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.205 -12.020 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.232 -13.494 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.429 -11.931 2.240 1.00 0.00 H new ATOM 671 N LYS A 45 -1.968 -14.134 4.427 1.00 0.00 N ATOM 672 CA LYS A 45 -3.166 -14.757 5.056 1.00 0.00 C ATOM 673 C LYS A 45 -2.741 -15.795 6.097 1.00 0.00 C ATOM 674 O LYS A 45 -2.128 -16.795 5.776 1.00 0.00 O ATOM 675 CB LYS A 45 -3.914 -15.428 3.904 1.00 0.00 C ATOM 676 CG LYS A 45 -5.159 -14.608 3.557 1.00 0.00 C ATOM 677 CD LYS A 45 -6.018 -15.384 2.557 1.00 0.00 C ATOM 678 CE LYS A 45 -7.035 -14.438 1.915 1.00 0.00 C ATOM 679 NZ LYS A 45 -6.717 -14.462 0.460 1.00 0.00 N ATOM 0 H LYS A 45 -1.704 -14.520 3.521 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.786 -14.026 5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.264 -15.509 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.200 -16.442 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.733 -14.398 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.868 -13.647 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.387 -15.831 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.534 -16.201 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.056 -14.770 2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.949 -13.430 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.373 -13.836 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.741 -14.134 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.814 -15.433 0.099 1.00 0.00 H new ATOM 693 N GLY A 46 -3.060 -15.567 7.340 1.00 0.00 N ATOM 694 CA GLY A 46 -2.675 -16.538 8.398 1.00 0.00 C ATOM 695 C GLY A 46 -2.002 -15.797 9.554 1.00 0.00 C ATOM 696 O GLY A 46 -2.019 -16.243 10.683 1.00 0.00 O ATOM 0 H GLY A 46 -3.572 -14.748 7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.557 -17.069 8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.997 -17.287 7.989 1.00 0.00 H new ATOM 700 N GLY A 47 -1.407 -14.667 9.280 1.00 0.00 N ATOM 701 CA GLY A 47 -0.734 -13.902 10.362 1.00 0.00 C ATOM 702 C GLY A 47 0.770 -13.870 10.102 1.00 0.00 C ATOM 703 O GLY A 47 1.551 -14.457 10.825 1.00 0.00 O ATOM 0 H GLY A 47 -1.359 -14.243 8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.128 -12.887 10.404 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.937 -14.363 11.329 1.00 0.00 H new ATOM 707 N GLN A 48 1.180 -13.186 9.074 1.00 0.00 N ATOM 708 CA GLN A 48 2.630 -13.107 8.755 1.00 0.00 C ATOM 709 C GLN A 48 2.882 -11.969 7.766 1.00 0.00 C ATOM 710 O GLN A 48 2.734 -12.128 6.571 1.00 0.00 O ATOM 711 CB GLN A 48 2.974 -14.456 8.123 1.00 0.00 C ATOM 712 CG GLN A 48 3.907 -15.234 9.052 1.00 0.00 C ATOM 713 CD GLN A 48 4.925 -16.016 8.219 1.00 0.00 C ATOM 714 OE1 GLN A 48 4.578 -16.976 7.561 1.00 0.00 O ATOM 715 NE2 GLN A 48 6.175 -15.641 8.218 1.00 0.00 N ATOM 0 H GLN A 48 0.569 -12.675 8.437 1.00 0.00 H new ATOM 0 HA GLN A 48 3.240 -12.908 9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.064 -15.028 7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.452 -14.304 7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.422 -14.548 9.724 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.330 -15.917 9.675 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.466 -14.835 8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.861 -16.154 7.664 1.00 0.00 H new ATOM 724 N LYS A 49 3.250 -10.818 8.256 1.00 0.00 N ATOM 725 CA LYS A 49 3.497 -9.669 7.344 1.00 0.00 C ATOM 726 C LYS A 49 4.983 -9.355 7.267 1.00 0.00 C ATOM 727 O LYS A 49 5.791 -9.887 8.002 1.00 0.00 O ATOM 728 CB LYS A 49 2.748 -8.499 7.974 1.00 0.00 C ATOM 729 CG LYS A 49 3.153 -7.183 7.305 1.00 0.00 C ATOM 730 CD LYS A 49 2.464 -6.016 8.017 1.00 0.00 C ATOM 731 CE LYS A 49 2.652 -6.157 9.529 1.00 0.00 C ATOM 732 NZ LYS A 49 2.239 -4.841 10.091 1.00 0.00 N ATOM 0 H LYS A 49 3.390 -10.624 9.248 1.00 0.00 H new ATOM 0 HA LYS A 49 3.163 -9.879 6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.673 -8.650 7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.964 -8.453 9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.235 -7.060 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.873 -7.197 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.882 -5.069 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.402 -6.003 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.042 -6.967 9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.688 -6.386 9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.340 -4.858 11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.842 -4.091 9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.247 -4.654 9.843 1.00 0.00 H new ATOM 746 N VAL A 50 5.338 -8.488 6.374 1.00 0.00 N ATOM 747 CA VAL A 50 6.775 -8.113 6.221 1.00 0.00 C ATOM 748 C VAL A 50 6.921 -6.915 5.274 1.00 0.00 C ATOM 749 O VAL A 50 5.984 -6.179 5.034 1.00 0.00 O ATOM 750 CB VAL A 50 7.440 -9.363 5.635 1.00 0.00 C ATOM 751 CG1 VAL A 50 7.313 -9.355 4.109 1.00 0.00 C ATOM 752 CG2 VAL A 50 8.921 -9.383 6.025 1.00 0.00 C ATOM 0 H VAL A 50 4.697 -8.016 5.736 1.00 0.00 H new ATOM 0 HA VAL A 50 7.231 -7.812 7.164 1.00 0.00 H new ATOM 0 HB VAL A 50 6.946 -10.251 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.788 -10.247 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.259 -9.346 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.802 -8.467 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.395 -10.272 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.412 -8.492 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.011 -9.399 7.111 1.00 0.00 H new ATOM 762 N CYS A 51 8.092 -6.724 4.728 1.00 0.00 N ATOM 763 CA CYS A 51 8.313 -5.585 3.791 1.00 0.00 C ATOM 764 C CYS A 51 8.481 -6.125 2.370 1.00 0.00 C ATOM 765 O CYS A 51 9.143 -7.121 2.156 1.00 0.00 O ATOM 766 CB CYS A 51 9.604 -4.924 4.270 1.00 0.00 C ATOM 767 SG CYS A 51 9.219 -3.699 5.547 1.00 0.00 S ATOM 0 H CYS A 51 8.910 -7.312 4.892 1.00 0.00 H new ATOM 0 HA CYS A 51 7.482 -4.880 3.778 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.285 -5.677 4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.112 -4.445 3.433 1.00 0.00 H new ATOM 0 HG CYS A 51 9.989 -2.662 5.400 1.00 0.00 H new ATOM 772 N LEU A 52 7.875 -5.499 1.397 1.00 0.00 N ATOM 773 CA LEU A 52 7.997 -6.011 0.018 1.00 0.00 C ATOM 774 C LEU A 52 8.743 -5.025 -0.883 1.00 0.00 C ATOM 775 O LEU A 52 8.942 -3.871 -0.544 1.00 0.00 O ATOM 776 CB LEU A 52 6.550 -6.171 -0.455 1.00 0.00 C ATOM 777 CG LEU A 52 6.217 -5.027 -1.407 1.00 0.00 C ATOM 778 CD1 LEU A 52 6.747 -5.342 -2.795 1.00 0.00 C ATOM 779 CD2 LEU A 52 4.715 -4.821 -1.508 1.00 0.00 C ATOM 0 H LEU A 52 7.305 -4.660 1.505 1.00 0.00 H new ATOM 0 HA LEU A 52 8.564 -6.941 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.420 -7.130 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.871 -6.163 0.397 1.00 0.00 H new ATOM 0 HG LEU A 52 6.681 -4.122 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.506 -4.522 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.828 -5.471 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.287 -6.260 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.506 -3.999 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.247 -5.732 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.313 -4.583 -0.523 1.00 0.00 H new ATOM 791 N ASP A 53 9.109 -5.501 -2.041 1.00 0.00 N ATOM 792 CA ASP A 53 9.805 -4.677 -3.072 1.00 0.00 C ATOM 793 C ASP A 53 9.540 -3.174 -2.888 1.00 0.00 C ATOM 794 O ASP A 53 8.727 -2.775 -2.080 1.00 0.00 O ATOM 795 CB ASP A 53 9.154 -5.173 -4.364 1.00 0.00 C ATOM 796 CG ASP A 53 10.187 -5.238 -5.490 1.00 0.00 C ATOM 797 OD1 ASP A 53 11.367 -5.281 -5.182 1.00 0.00 O ATOM 798 OD2 ASP A 53 9.782 -5.250 -6.640 1.00 0.00 O ATOM 0 H ASP A 53 8.947 -6.467 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 53 10.890 -4.780 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.718 -6.159 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.339 -4.507 -4.647 1.00 0.00 H new ATOM 803 N PRO A 54 10.229 -2.385 -3.671 1.00 0.00 N ATOM 804 CA PRO A 54 10.065 -0.918 -3.608 1.00 0.00 C ATOM 805 C PRO A 54 8.899 -0.527 -4.508 1.00 0.00 C ATOM 806 O PRO A 54 9.084 -0.158 -5.649 1.00 0.00 O ATOM 807 CB PRO A 54 11.384 -0.393 -4.159 1.00 0.00 C ATOM 808 CG PRO A 54 11.921 -1.488 -5.040 1.00 0.00 C ATOM 809 CD PRO A 54 11.209 -2.776 -4.687 1.00 0.00 C ATOM 0 HA PRO A 54 9.853 -0.526 -2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.234 0.527 -4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.081 -0.161 -3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.762 -1.242 -6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.996 -1.597 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.724 -3.213 -5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.905 -3.522 -4.302 1.00 0.00 H new ATOM 817 N GLU A 55 7.697 -0.658 -4.023 1.00 0.00 N ATOM 818 CA GLU A 55 6.519 -0.354 -4.878 1.00 0.00 C ATOM 819 C GLU A 55 6.397 -1.490 -5.888 1.00 0.00 C ATOM 820 O GLU A 55 5.705 -1.393 -6.877 1.00 0.00 O ATOM 821 CB GLU A 55 6.831 0.994 -5.550 1.00 0.00 C ATOM 822 CG GLU A 55 7.199 0.794 -7.026 1.00 0.00 C ATOM 823 CD GLU A 55 5.941 0.911 -7.887 1.00 0.00 C ATOM 824 OE1 GLU A 55 4.860 0.724 -7.351 1.00 0.00 O ATOM 825 OE2 GLU A 55 6.077 1.183 -9.069 1.00 0.00 O ATOM 0 H GLU A 55 7.480 -0.962 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 55 5.575 -0.279 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.966 1.653 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.653 1.484 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.933 1.539 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.659 -0.184 -7.167 1.00 0.00 H new ATOM 832 N ALA A 56 7.091 -2.571 -5.630 1.00 0.00 N ATOM 833 CA ALA A 56 7.057 -3.733 -6.554 1.00 0.00 C ATOM 834 C ALA A 56 6.951 -3.243 -7.996 1.00 0.00 C ATOM 835 O ALA A 56 5.944 -3.431 -8.646 1.00 0.00 O ATOM 836 CB ALA A 56 5.823 -4.545 -6.145 1.00 0.00 C ATOM 0 H ALA A 56 7.684 -2.693 -4.809 1.00 0.00 H new ATOM 0 HA ALA A 56 7.960 -4.341 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.735 -5.421 -6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.925 -4.864 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.931 -3.928 -6.249 1.00 0.00 H new ATOM 842 N PRO A 57 8.013 -2.630 -8.449 1.00 0.00 N ATOM 843 CA PRO A 57 8.059 -2.108 -9.834 1.00 0.00 C ATOM 844 C PRO A 57 8.159 -3.286 -10.795 1.00 0.00 C ATOM 845 O PRO A 57 7.336 -3.461 -11.672 1.00 0.00 O ATOM 846 CB PRO A 57 9.327 -1.259 -9.860 1.00 0.00 C ATOM 847 CG PRO A 57 10.187 -1.820 -8.773 1.00 0.00 C ATOM 848 CD PRO A 57 9.261 -2.373 -7.721 1.00 0.00 C ATOM 0 HA PRO A 57 7.182 -1.531 -10.125 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.824 -1.320 -10.828 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.102 -0.207 -9.683 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.840 -2.602 -9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.831 -1.047 -8.353 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.660 -3.285 -7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.110 -1.663 -6.908 1.00 0.00 H new ATOM 856 N LEU A 58 9.143 -4.121 -10.610 1.00 0.00 N ATOM 857 CA LEU A 58 9.268 -5.312 -11.486 1.00 0.00 C ATOM 858 C LEU A 58 8.084 -6.234 -11.202 1.00 0.00 C ATOM 859 O LEU A 58 7.530 -6.849 -12.092 1.00 0.00 O ATOM 860 CB LEU A 58 10.585 -5.975 -11.081 1.00 0.00 C ATOM 861 CG LEU A 58 10.698 -7.342 -11.758 1.00 0.00 C ATOM 862 CD1 LEU A 58 11.987 -7.401 -12.579 1.00 0.00 C ATOM 863 CD2 LEU A 58 10.724 -8.438 -10.689 1.00 0.00 C ATOM 0 H LEU A 58 9.862 -4.029 -9.892 1.00 0.00 H new ATOM 0 HA LEU A 58 9.266 -5.072 -12.549 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.426 -5.344 -11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.629 -6.089 -9.998 1.00 0.00 H new ATOM 0 HG LEU A 58 9.842 -7.494 -12.416 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.067 -8.375 -13.061 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.970 -6.620 -13.339 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.844 -7.250 -11.922 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.804 -9.413 -11.169 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.580 -8.285 -10.032 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.806 -8.397 -10.103 1.00 0.00 H new ATOM 875 N VAL A 59 7.683 -6.317 -9.960 1.00 0.00 N ATOM 876 CA VAL A 59 6.519 -7.180 -9.609 1.00 0.00 C ATOM 877 C VAL A 59 5.222 -6.368 -9.687 1.00 0.00 C ATOM 878 O VAL A 59 4.153 -6.855 -9.376 1.00 0.00 O ATOM 879 CB VAL A 59 6.777 -7.635 -8.175 1.00 0.00 C ATOM 880 CG1 VAL A 59 5.628 -8.536 -7.720 1.00 0.00 C ATOM 881 CG2 VAL A 59 8.092 -8.413 -8.115 1.00 0.00 C ATOM 0 H VAL A 59 8.111 -5.825 -9.176 1.00 0.00 H new ATOM 0 HA VAL A 59 6.411 -8.025 -10.289 1.00 0.00 H new ATOM 0 HB VAL A 59 6.843 -6.766 -7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.807 -8.864 -6.696 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.691 -7.981 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.566 -9.406 -8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.276 -8.738 -7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.029 -9.285 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.909 -7.772 -8.445 1.00 0.00 H new ATOM 891 N GLN A 60 5.310 -5.133 -10.096 1.00 0.00 N ATOM 892 CA GLN A 60 4.085 -4.287 -10.190 1.00 0.00 C ATOM 893 C GLN A 60 2.974 -5.061 -10.888 1.00 0.00 C ATOM 894 O GLN A 60 1.852 -5.120 -10.424 1.00 0.00 O ATOM 895 CB GLN A 60 4.503 -3.074 -11.020 1.00 0.00 C ATOM 896 CG GLN A 60 3.505 -1.932 -10.807 1.00 0.00 C ATOM 897 CD GLN A 60 3.258 -1.731 -9.309 1.00 0.00 C ATOM 898 OE1 GLN A 60 2.184 -2.012 -8.817 1.00 0.00 O ATOM 899 NE2 GLN A 60 4.212 -1.248 -8.560 1.00 0.00 N ATOM 0 H GLN A 60 6.178 -4.672 -10.370 1.00 0.00 H new ATOM 0 HA GLN A 60 3.704 -3.994 -9.212 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.504 -2.753 -10.733 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.544 -3.341 -12.076 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.891 -1.013 -11.248 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.566 -2.158 -11.312 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.114 -1.012 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.055 -1.107 -7.562 1.00 0.00 H new ATOM 908 N LYS A 61 3.281 -5.664 -11.997 1.00 0.00 N ATOM 909 CA LYS A 61 2.244 -6.446 -12.727 1.00 0.00 C ATOM 910 C LYS A 61 1.535 -7.383 -11.751 1.00 0.00 C ATOM 911 O LYS A 61 0.357 -7.248 -11.486 1.00 0.00 O ATOM 912 CB LYS A 61 3.010 -7.243 -13.783 1.00 0.00 C ATOM 913 CG LYS A 61 2.697 -6.684 -15.172 1.00 0.00 C ATOM 914 CD LYS A 61 1.928 -7.729 -15.982 1.00 0.00 C ATOM 915 CE LYS A 61 0.479 -7.792 -15.492 1.00 0.00 C ATOM 916 NZ LYS A 61 -0.103 -6.468 -15.845 1.00 0.00 N ATOM 0 H LYS A 61 4.203 -5.651 -12.432 1.00 0.00 H new ATOM 0 HA LYS A 61 1.483 -5.812 -13.182 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.081 -7.187 -13.590 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.732 -8.296 -13.732 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.108 -5.771 -15.084 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.621 -6.419 -15.685 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.954 -7.474 -17.041 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.401 -8.705 -15.877 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.066 -8.604 -15.974 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.433 -7.970 -14.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.106 -6.585 -16.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.020 -5.825 -15.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.410 -6.068 -16.656 1.00 0.00 H new ATOM 930 N ILE A 62 2.250 -8.321 -11.203 1.00 0.00 N ATOM 931 CA ILE A 62 1.626 -9.259 -10.227 1.00 0.00 C ATOM 932 C ILE A 62 0.957 -8.452 -9.113 1.00 0.00 C ATOM 933 O ILE A 62 -0.014 -8.879 -8.520 1.00 0.00 O ATOM 934 CB ILE A 62 2.788 -10.095 -9.688 1.00 0.00 C ATOM 935 CG1 ILE A 62 3.316 -11.005 -10.801 1.00 0.00 C ATOM 936 CG2 ILE A 62 2.308 -10.951 -8.517 1.00 0.00 C ATOM 937 CD1 ILE A 62 2.306 -12.123 -11.069 1.00 0.00 C ATOM 0 H ILE A 62 3.240 -8.481 -11.387 1.00 0.00 H new ATOM 0 HA ILE A 62 0.857 -9.892 -10.669 1.00 0.00 H new ATOM 0 HB ILE A 62 3.583 -9.432 -9.347 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.484 -10.426 -11.709 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.277 -11.430 -10.512 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.139 -11.545 -8.136 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.930 -10.305 -7.725 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.512 -11.615 -8.854 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.682 -12.771 -11.861 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.161 -12.708 -10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.355 -11.688 -11.376 1.00 0.00 H new ATOM 949 N ILE A 63 1.453 -7.274 -8.844 1.00 0.00 N ATOM 950 CA ILE A 63 0.830 -6.425 -7.796 1.00 0.00 C ATOM 951 C ILE A 63 -0.476 -5.874 -8.345 1.00 0.00 C ATOM 952 O ILE A 63 -1.534 -6.075 -7.786 1.00 0.00 O ATOM 953 CB ILE A 63 1.849 -5.311 -7.539 1.00 0.00 C ATOM 954 CG1 ILE A 63 2.526 -5.553 -6.192 1.00 0.00 C ATOM 955 CG2 ILE A 63 1.153 -3.952 -7.528 1.00 0.00 C ATOM 956 CD1 ILE A 63 2.986 -7.006 -6.128 1.00 0.00 C ATOM 0 H ILE A 63 2.264 -6.865 -9.307 1.00 0.00 H new ATOM 0 HA ILE A 63 0.598 -6.957 -6.873 1.00 0.00 H new ATOM 0 HB ILE A 63 2.595 -5.316 -8.333 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.376 -4.882 -6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.833 -5.340 -5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.888 -3.168 -7.344 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.673 -3.781 -8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.400 -3.935 -6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.472 -7.192 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.124 -7.665 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.691 -7.200 -6.936 1.00 0.00 H new ATOM 968 N GLN A 64 -0.412 -5.211 -9.460 1.00 0.00 N ATOM 969 CA GLN A 64 -1.664 -4.688 -10.062 1.00 0.00 C ATOM 970 C GLN A 64 -2.666 -5.835 -10.102 1.00 0.00 C ATOM 971 O GLN A 64 -3.864 -5.642 -10.041 1.00 0.00 O ATOM 972 CB GLN A 64 -1.283 -4.242 -11.476 1.00 0.00 C ATOM 973 CG GLN A 64 -1.193 -2.717 -11.524 1.00 0.00 C ATOM 974 CD GLN A 64 -1.301 -2.244 -12.976 1.00 0.00 C ATOM 975 OE1 GLN A 64 -0.607 -2.740 -13.841 1.00 0.00 O ATOM 976 NE2 GLN A 64 -2.148 -1.300 -13.280 1.00 0.00 N ATOM 0 H GLN A 64 0.444 -5.010 -9.977 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.106 -3.860 -9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.328 -4.682 -11.762 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.025 -4.596 -12.192 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.991 -2.276 -10.927 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.250 -2.384 -11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.730 -0.884 -12.553 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.228 -0.978 -14.244 1.00 0.00 H new ATOM 985 N LYS A 65 -2.166 -7.041 -10.171 1.00 0.00 N ATOM 986 CA LYS A 65 -3.062 -8.226 -10.180 1.00 0.00 C ATOM 987 C LYS A 65 -3.657 -8.396 -8.783 1.00 0.00 C ATOM 988 O LYS A 65 -4.798 -8.779 -8.619 1.00 0.00 O ATOM 989 CB LYS A 65 -2.161 -9.410 -10.532 1.00 0.00 C ATOM 990 CG LYS A 65 -2.943 -10.411 -11.384 1.00 0.00 C ATOM 991 CD LYS A 65 -3.199 -11.683 -10.572 1.00 0.00 C ATOM 992 CE LYS A 65 -1.871 -12.392 -10.300 1.00 0.00 C ATOM 993 NZ LYS A 65 -1.586 -13.162 -11.544 1.00 0.00 N ATOM 0 H LYS A 65 -1.170 -7.253 -10.222 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.886 -8.136 -10.888 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.282 -9.063 -11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.804 -9.892 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.889 -9.973 -11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.383 -10.651 -12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.689 -11.434 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.872 -12.345 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.077 -11.676 -10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.945 -13.051 -9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.692 -14.179 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.253 -12.877 -12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.614 -12.968 -11.857 1.00 0.00 H new ATOM 1007 N ILE A 66 -2.886 -8.091 -7.773 1.00 0.00 N ATOM 1008 CA ILE A 66 -3.396 -8.208 -6.381 1.00 0.00 C ATOM 1009 C ILE A 66 -4.318 -7.023 -6.086 1.00 0.00 C ATOM 1010 O ILE A 66 -5.309 -7.143 -5.394 1.00 0.00 O ATOM 1011 CB ILE A 66 -2.148 -8.178 -5.492 1.00 0.00 C ATOM 1012 CG1 ILE A 66 -2.342 -9.138 -4.315 1.00 0.00 C ATOM 1013 CG2 ILE A 66 -1.914 -6.763 -4.957 1.00 0.00 C ATOM 1014 CD1 ILE A 66 -2.672 -10.534 -4.844 1.00 0.00 C ATOM 0 H ILE A 66 -1.923 -7.765 -7.855 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.974 -9.117 -6.211 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.284 -8.483 -6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.438 -9.172 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.146 -8.782 -3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.025 -6.755 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.773 -6.077 -5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.777 -6.448 -4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.810 -11.217 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.588 -10.493 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.853 -10.889 -5.470 1.00 0.00 H new ATOM 1026 N LEU A 67 -3.995 -5.883 -6.629 1.00 0.00 N ATOM 1027 CA LEU A 67 -4.838 -4.675 -6.414 1.00 0.00 C ATOM 1028 C LEU A 67 -6.126 -4.802 -7.226 1.00 0.00 C ATOM 1029 O LEU A 67 -7.178 -4.347 -6.824 1.00 0.00 O ATOM 1030 CB LEU A 67 -3.988 -3.514 -6.930 1.00 0.00 C ATOM 1031 CG LEU A 67 -3.139 -2.955 -5.789 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -1.825 -3.732 -5.708 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -2.841 -1.478 -6.052 1.00 0.00 C ATOM 0 H LEU A 67 -3.175 -5.736 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.125 -4.536 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.346 -3.853 -7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.630 -2.732 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.681 -3.054 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.217 -3.335 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.036 -4.785 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.284 -3.630 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.235 -1.079 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.298 -1.378 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.777 -0.923 -6.114 1.00 0.00 H new ATOM 1045 N ASN A 68 -6.046 -5.424 -8.370 1.00 0.00 N ATOM 1046 CA ASN A 68 -7.256 -5.590 -9.219 1.00 0.00 C ATOM 1047 C ASN A 68 -7.974 -6.897 -8.864 1.00 0.00 C ATOM 1048 O ASN A 68 -8.947 -7.270 -9.489 1.00 0.00 O ATOM 1049 CB ASN A 68 -6.734 -5.638 -10.654 1.00 0.00 C ATOM 1050 CG ASN A 68 -7.690 -4.874 -11.571 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -8.477 -5.470 -12.280 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -7.658 -3.569 -11.588 1.00 0.00 N ATOM 0 H ASN A 68 -5.190 -5.826 -8.754 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.974 -4.782 -9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.737 -5.200 -10.704 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.645 -6.673 -10.985 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.293 -3.051 -12.196 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.998 -3.067 -10.994 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.501 -7.594 -7.865 1.00 0.00 N ATOM 1060 CA LYS A 69 -8.157 -8.875 -7.474 1.00 0.00 C ATOM 1061 C LYS A 69 -9.419 -8.602 -6.661 1.00 0.00 C ATOM 1062 O LYS A 69 -10.003 -9.490 -6.073 1.00 0.00 O ATOM 1063 CB LYS A 69 -7.120 -9.623 -6.637 1.00 0.00 C ATOM 1064 CG LYS A 69 -6.752 -10.934 -7.333 1.00 0.00 C ATOM 1065 CD LYS A 69 -7.871 -11.956 -7.120 1.00 0.00 C ATOM 1066 CE LYS A 69 -7.609 -13.190 -7.988 1.00 0.00 C ATOM 1067 NZ LYS A 69 -7.607 -14.335 -7.036 1.00 0.00 N ATOM 0 H LYS A 69 -6.690 -7.332 -7.304 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.466 -9.457 -8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.231 -9.007 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.518 -9.826 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.600 -10.762 -8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.813 -11.319 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.922 -12.242 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.834 -11.515 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.381 -13.310 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.656 -13.110 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.433 -15.219 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.858 -14.197 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.529 -14.390 -6.558 1.00 0.00 H new ATOM 1310 N LYS B 13 -15.277 6.454 4.894 1.00 0.00 N ATOM 1311 CA LYS B 13 -15.206 6.812 3.452 1.00 0.00 C ATOM 1312 C LYS B 13 -13.771 6.644 2.950 1.00 0.00 C ATOM 1313 O LYS B 13 -12.947 6.027 3.595 1.00 0.00 O ATOM 1314 CB LYS B 13 -15.626 8.279 3.387 1.00 0.00 C ATOM 1315 CG LYS B 13 -17.061 8.380 2.868 1.00 0.00 C ATOM 1316 CD LYS B 13 -17.042 8.699 1.372 1.00 0.00 C ATOM 1317 CE LYS B 13 -18.474 8.922 0.880 1.00 0.00 C ATOM 1318 NZ LYS B 13 -18.364 8.990 -0.605 1.00 0.00 N ATOM 0 HA LYS B 13 -15.843 6.181 2.832 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -15.553 8.732 4.376 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -14.952 8.832 2.732 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -17.589 7.443 3.044 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -17.601 9.157 3.409 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -16.440 9.588 1.186 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -16.580 7.880 0.820 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -19.129 8.108 1.191 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -18.893 9.842 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -19.307 9.142 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -17.739 9.778 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -17.969 8.098 -0.965 1.00 0.00 H new ATOM 1332 N THR B 14 -13.463 7.188 1.806 1.00 0.00 N ATOM 1333 CA THR B 14 -12.083 7.059 1.269 1.00 0.00 C ATOM 1334 C THR B 14 -11.817 8.142 0.220 1.00 0.00 C ATOM 1335 O THR B 14 -12.728 8.672 -0.386 1.00 0.00 O ATOM 1336 CB THR B 14 -12.043 5.685 0.617 1.00 0.00 C ATOM 1337 OG1 THR B 14 -13.369 5.212 0.422 1.00 0.00 O ATOM 1338 CG2 THR B 14 -11.275 4.711 1.510 1.00 0.00 C ATOM 0 H THR B 14 -14.109 7.717 1.220 1.00 0.00 H new ATOM 0 HA THR B 14 -11.329 7.172 2.048 1.00 0.00 H new ATOM 0 HB THR B 14 -11.540 5.759 -0.347 1.00 0.00 H new ATOM 0 HG1 THR B 14 -13.342 4.328 0.001 1.00 0.00 H new ATOM 0 HG21 THR B 14 -11.249 3.728 1.039 1.00 0.00 H new ATOM 0 HG22 THR B 14 -10.256 5.073 1.651 1.00 0.00 H new ATOM 0 HG23 THR B 14 -11.771 4.636 2.478 1.00 0.00 H new ATOM 1346 N LEU B 15 -10.575 8.469 -0.002 1.00 0.00 N ATOM 1347 CA LEU B 15 -10.242 9.506 -1.013 1.00 0.00 C ATOM 1348 C LEU B 15 -9.588 8.854 -2.236 1.00 0.00 C ATOM 1349 O LEU B 15 -8.851 7.898 -2.108 1.00 0.00 O ATOM 1350 CB LEU B 15 -9.250 10.426 -0.308 1.00 0.00 C ATOM 1351 CG LEU B 15 -9.904 11.027 0.937 1.00 0.00 C ATOM 1352 CD1 LEU B 15 -9.815 10.031 2.093 1.00 0.00 C ATOM 1353 CD2 LEU B 15 -9.177 12.318 1.319 1.00 0.00 C ATOM 0 H LEU B 15 -9.773 8.059 0.477 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.122 10.043 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.356 9.868 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.932 11.220 -0.983 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.951 11.246 0.728 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.281 10.460 2.980 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -10.332 9.111 1.821 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.768 9.811 2.304 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.641 12.748 2.206 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.130 12.098 1.528 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -9.241 13.029 0.495 1.00 0.00 H new ATOM 1365 N PRO B 16 -9.879 9.403 -3.382 1.00 0.00 N ATOM 1366 CA PRO B 16 -9.313 8.876 -4.641 1.00 0.00 C ATOM 1367 C PRO B 16 -7.902 9.425 -4.838 1.00 0.00 C ATOM 1368 O PRO B 16 -7.150 8.957 -5.665 1.00 0.00 O ATOM 1369 CB PRO B 16 -10.259 9.417 -5.707 1.00 0.00 C ATOM 1370 CG PRO B 16 -10.871 10.650 -5.112 1.00 0.00 C ATOM 1371 CD PRO B 16 -10.753 10.553 -3.609 1.00 0.00 C ATOM 0 HA PRO B 16 -9.232 7.789 -4.665 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -9.722 9.650 -6.626 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -11.024 8.683 -5.962 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -10.362 11.542 -5.477 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -11.917 10.736 -5.407 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -10.329 11.463 -3.185 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -11.728 10.408 -3.143 1.00 0.00 H new ATOM 1379 N ARG B 17 -7.546 10.422 -4.079 1.00 0.00 N ATOM 1380 CA ARG B 17 -6.192 11.022 -4.207 1.00 0.00 C ATOM 1381 C ARG B 17 -5.890 11.863 -2.963 1.00 0.00 C ATOM 1382 O ARG B 17 -5.667 13.055 -3.047 1.00 0.00 O ATOM 1383 CB ARG B 17 -6.284 11.909 -5.449 1.00 0.00 C ATOM 1384 CG ARG B 17 -4.960 12.640 -5.652 1.00 0.00 C ATOM 1385 CD ARG B 17 -5.194 13.905 -6.481 1.00 0.00 C ATOM 1386 NE ARG B 17 -3.833 14.445 -6.751 1.00 0.00 N ATOM 1387 CZ ARG B 17 -3.691 15.545 -7.440 1.00 0.00 C ATOM 1388 NH1 ARG B 17 -4.497 15.800 -8.434 1.00 0.00 N ATOM 1389 NH2 ARG B 17 -2.744 16.389 -7.134 1.00 0.00 N ATOM 0 H ARG B 17 -8.141 10.850 -3.370 1.00 0.00 H new ATOM 0 HA ARG B 17 -5.399 10.279 -4.295 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -6.515 11.303 -6.325 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -7.095 12.628 -5.336 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -4.525 12.901 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -4.247 11.989 -6.157 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -5.720 13.678 -7.408 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -5.804 14.626 -5.937 1.00 0.00 H new ATOM 0 HE ARG B 17 -3.011 13.955 -6.398 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -5.237 15.140 -8.672 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -4.387 16.659 -8.973 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -2.115 16.189 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -2.633 17.248 -7.672 1.00 0.00 H new ATOM 1403 N VAL B 18 -5.886 11.253 -1.806 1.00 0.00 N ATOM 1404 CA VAL B 18 -5.596 12.024 -0.553 1.00 0.00 C ATOM 1405 C VAL B 18 -4.466 13.013 -0.811 1.00 0.00 C ATOM 1406 O VAL B 18 -3.770 12.901 -1.795 1.00 0.00 O ATOM 1407 CB VAL B 18 -5.169 10.974 0.477 1.00 0.00 C ATOM 1408 CG1 VAL B 18 -6.410 10.364 1.129 1.00 0.00 C ATOM 1409 CG2 VAL B 18 -4.365 9.870 -0.217 1.00 0.00 C ATOM 0 H VAL B 18 -6.070 10.259 -1.671 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.456 12.597 -0.207 1.00 0.00 H new ATOM 0 HB VAL B 18 -4.551 11.448 1.240 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -6.106 9.617 1.862 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -6.982 11.147 1.626 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.028 9.892 0.365 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -4.062 9.124 0.518 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -4.981 9.397 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -3.479 10.302 -0.681 1.00 0.00 H new ATOM 1419 N ASP B 19 -4.273 13.974 0.062 1.00 0.00 N ATOM 1420 CA ASP B 19 -3.174 14.960 -0.140 1.00 0.00 C ATOM 1421 C ASP B 19 -1.991 14.242 -0.789 1.00 0.00 C ATOM 1422 O ASP B 19 -0.995 13.943 -0.163 1.00 0.00 O ATOM 1423 CB ASP B 19 -2.836 15.439 1.267 1.00 0.00 C ATOM 1424 CG ASP B 19 -2.077 16.764 1.194 1.00 0.00 C ATOM 1425 OD1 ASP B 19 -1.774 17.191 0.091 1.00 0.00 O ATOM 1426 OD2 ASP B 19 -1.811 17.332 2.241 1.00 0.00 O ATOM 0 H ASP B 19 -4.831 14.114 0.904 1.00 0.00 H new ATOM 0 HA ASP B 19 -3.438 15.796 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -3.750 15.564 1.848 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -2.232 14.691 1.781 1.00 0.00 H new ATOM 1431 N PHE B 20 -2.143 13.923 -2.039 1.00 0.00 N ATOM 1432 CA PHE B 20 -1.102 13.170 -2.778 1.00 0.00 C ATOM 1433 C PHE B 20 0.311 13.631 -2.449 1.00 0.00 C ATOM 1434 O PHE B 20 1.022 12.984 -1.709 1.00 0.00 O ATOM 1435 CB PHE B 20 -1.422 13.406 -4.246 1.00 0.00 C ATOM 1436 CG PHE B 20 -1.340 12.087 -4.942 1.00 0.00 C ATOM 1437 CD1 PHE B 20 -2.439 11.225 -4.933 1.00 0.00 C ATOM 1438 CD2 PHE B 20 -0.155 11.714 -5.572 1.00 0.00 C ATOM 1439 CE1 PHE B 20 -2.351 9.983 -5.558 1.00 0.00 C ATOM 1440 CE2 PHE B 20 -0.063 10.478 -6.200 1.00 0.00 C ATOM 1441 CZ PHE B 20 -1.164 9.607 -6.192 1.00 0.00 C ATOM 0 H PHE B 20 -2.967 14.159 -2.592 1.00 0.00 H new ATOM 0 HA PHE B 20 -1.119 12.115 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.417 13.837 -4.357 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -0.718 14.114 -4.683 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -3.355 11.521 -4.443 1.00 0.00 H new ATOM 0 HD2 PHE B 20 0.691 12.385 -5.572 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -3.198 9.313 -5.552 1.00 0.00 H new ATOM 0 HE2 PHE B 20 0.853 10.188 -6.693 1.00 0.00 H new ATOM 0 HZ PHE B 20 -1.093 8.645 -6.677 1.00 0.00 H new ATOM 1451 N LYS B 21 0.741 14.715 -3.012 1.00 0.00 N ATOM 1452 CA LYS B 21 2.127 15.169 -2.737 1.00 0.00 C ATOM 1453 C LYS B 21 2.450 14.983 -1.249 1.00 0.00 C ATOM 1454 O LYS B 21 3.594 14.845 -0.866 1.00 0.00 O ATOM 1455 CB LYS B 21 2.154 16.649 -3.122 1.00 0.00 C ATOM 1456 CG LYS B 21 2.259 16.779 -4.643 1.00 0.00 C ATOM 1457 CD LYS B 21 3.683 17.191 -5.022 1.00 0.00 C ATOM 1458 CE LYS B 21 3.954 16.809 -6.479 1.00 0.00 C ATOM 1459 NZ LYS B 21 3.635 18.034 -7.264 1.00 0.00 N ATOM 0 H LYS B 21 0.201 15.304 -3.646 1.00 0.00 H new ATOM 0 HA LYS B 21 2.869 14.601 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS B 21 1.251 17.145 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS B 21 3.000 17.144 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS B 21 2.004 15.832 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS B 21 1.546 17.519 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS B 21 3.810 18.265 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS B 21 4.402 16.700 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS B 21 4.992 16.508 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS B 21 3.333 15.969 -6.789 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 3.797 17.850 -8.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 2.639 18.293 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 4.246 18.815 -6.952 1.00 0.00 H new ATOM 1473 N ASN B 22 1.445 14.971 -0.411 1.00 0.00 N ATOM 1474 CA ASN B 22 1.681 14.787 1.044 1.00 0.00 C ATOM 1475 C ASN B 22 1.711 13.299 1.388 1.00 0.00 C ATOM 1476 O ASN B 22 2.375 12.877 2.314 1.00 0.00 O ATOM 1477 CB ASN B 22 0.484 15.450 1.711 1.00 0.00 C ATOM 1478 CG ASN B 22 0.965 16.443 2.770 1.00 0.00 C ATOM 1479 OD1 ASN B 22 2.020 17.030 2.634 1.00 0.00 O ATOM 1480 ND2 ASN B 22 0.232 16.656 3.828 1.00 0.00 N ATOM 0 H ASN B 22 0.467 15.082 -0.678 1.00 0.00 H new ATOM 0 HA ASN B 22 2.631 15.213 1.368 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -0.121 15.965 0.965 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -0.153 14.694 2.171 1.00 0.00 H new ATOM 0 HD21 ASN B 22 0.545 17.315 4.541 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -0.654 16.163 3.942 1.00 0.00 H new ATOM 1487 N ILE B 23 0.981 12.506 0.654 1.00 0.00 N ATOM 1488 CA ILE B 23 0.946 11.045 0.937 1.00 0.00 C ATOM 1489 C ILE B 23 2.341 10.548 1.330 1.00 0.00 C ATOM 1490 O ILE B 23 3.182 10.292 0.492 1.00 0.00 O ATOM 1491 CB ILE B 23 0.473 10.400 -0.372 1.00 0.00 C ATOM 1492 CG1 ILE B 23 -1.028 10.114 -0.284 1.00 0.00 C ATOM 1493 CG2 ILE B 23 1.219 9.087 -0.613 1.00 0.00 C ATOM 1494 CD1 ILE B 23 -1.774 11.405 0.059 1.00 0.00 C ATOM 0 H ILE B 23 0.406 12.808 -0.132 1.00 0.00 H new ATOM 0 HA ILE B 23 0.286 10.795 1.767 1.00 0.00 H new ATOM 0 HB ILE B 23 0.675 11.084 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.389 9.714 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -1.221 9.357 0.476 1.00 0.00 H new ATOM 0 HG21 ILE B 23 0.875 8.639 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.289 9.283 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE B 23 1.026 8.402 0.212 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -2.843 11.202 0.122 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -1.420 11.786 1.017 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -1.591 12.148 -0.717 1.00 0.00 H new ATOM 1506 N GLN B 24 2.591 10.412 2.605 1.00 0.00 N ATOM 1507 CA GLN B 24 3.931 9.933 3.056 1.00 0.00 C ATOM 1508 C GLN B 24 3.884 8.437 3.375 1.00 0.00 C ATOM 1509 O GLN B 24 4.842 7.866 3.858 1.00 0.00 O ATOM 1510 CB GLN B 24 4.239 10.743 4.317 1.00 0.00 C ATOM 1511 CG GLN B 24 5.753 10.906 4.462 1.00 0.00 C ATOM 1512 CD GLN B 24 6.314 9.757 5.304 1.00 0.00 C ATOM 1513 OE1 GLN B 24 5.612 9.183 6.111 1.00 0.00 O ATOM 1514 NE2 GLN B 24 7.557 9.397 5.146 1.00 0.00 N ATOM 0 H GLN B 24 1.927 10.611 3.353 1.00 0.00 H new ATOM 0 HA GLN B 24 4.694 10.067 2.289 1.00 0.00 H new ATOM 0 HB2 GLN B 24 3.761 11.721 4.260 1.00 0.00 H new ATOM 0 HB3 GLN B 24 3.831 10.240 5.194 1.00 0.00 H new ATOM 0 HG2 GLN B 24 6.224 10.914 3.479 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.983 11.862 4.933 1.00 0.00 H new ATOM 0 HE21 GLN B 24 8.146 9.880 4.467 1.00 0.00 H new ATOM 0 HE22 GLN B 24 7.941 8.632 5.701 1.00 0.00 H new ATOM 1523 N SER B 25 2.782 7.797 3.107 1.00 0.00 N ATOM 1524 CA SER B 25 2.680 6.337 3.388 1.00 0.00 C ATOM 1525 C SER B 25 1.401 5.774 2.767 1.00 0.00 C ATOM 1526 O SER B 25 0.496 6.504 2.415 1.00 0.00 O ATOM 1527 CB SER B 25 2.636 6.224 4.911 1.00 0.00 C ATOM 1528 OG SER B 25 1.316 5.890 5.321 1.00 0.00 O ATOM 0 H SER B 25 1.946 8.221 2.705 1.00 0.00 H new ATOM 0 HA SER B 25 3.514 5.775 2.967 1.00 0.00 H new ATOM 0 HB2 SER B 25 3.338 5.463 5.251 1.00 0.00 H new ATOM 0 HB3 SER B 25 2.943 7.166 5.366 1.00 0.00 H new ATOM 0 HG SER B 25 1.349 5.138 5.948 1.00 0.00 H new ATOM 1534 N LEU B 26 1.319 4.480 2.626 1.00 0.00 N ATOM 1535 CA LEU B 26 0.099 3.875 2.023 1.00 0.00 C ATOM 1536 C LEU B 26 -0.156 2.490 2.618 1.00 0.00 C ATOM 1537 O LEU B 26 0.747 1.837 3.100 1.00 0.00 O ATOM 1538 CB LEU B 26 0.408 3.766 0.530 1.00 0.00 C ATOM 1539 CG LEU B 26 -0.275 4.911 -0.219 1.00 0.00 C ATOM 1540 CD1 LEU B 26 0.156 4.891 -1.687 1.00 0.00 C ATOM 1541 CD2 LEU B 26 -1.794 4.743 -0.131 1.00 0.00 C ATOM 0 H LEU B 26 2.043 3.816 2.902 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.793 4.471 2.214 1.00 0.00 H new ATOM 0 HB2 LEU B 26 1.485 3.803 0.367 1.00 0.00 H new ATOM 0 HB3 LEU B 26 0.060 2.807 0.145 1.00 0.00 H new ATOM 0 HG LEU B 26 0.013 5.861 0.230 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -0.331 5.707 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU B 26 1.238 5.011 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -0.131 3.941 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -2.282 5.559 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -2.082 3.792 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -2.102 4.758 0.915 1.00 0.00 H new ATOM 1553 N SER B 27 -1.379 2.040 2.583 1.00 0.00 N ATOM 1554 CA SER B 27 -1.702 0.694 3.136 1.00 0.00 C ATOM 1555 C SER B 27 -2.879 0.095 2.365 1.00 0.00 C ATOM 1556 O SER B 27 -3.990 0.576 2.443 1.00 0.00 O ATOM 1557 CB SER B 27 -2.078 0.938 4.597 1.00 0.00 C ATOM 1558 OG SER B 27 -1.274 0.115 5.432 1.00 0.00 O ATOM 0 H SER B 27 -2.173 2.549 2.193 1.00 0.00 H new ATOM 0 HA SER B 27 -0.870 -0.005 3.052 1.00 0.00 H new ATOM 0 HB2 SER B 27 -1.932 1.988 4.852 1.00 0.00 H new ATOM 0 HB3 SER B 27 -3.133 0.716 4.755 1.00 0.00 H new ATOM 0 HG SER B 27 -1.511 0.270 6.370 1.00 0.00 H new ATOM 1564 N VAL B 28 -2.650 -0.943 1.610 1.00 0.00 N ATOM 1565 CA VAL B 28 -3.767 -1.540 0.825 1.00 0.00 C ATOM 1566 C VAL B 28 -4.182 -2.894 1.402 1.00 0.00 C ATOM 1567 O VAL B 28 -3.371 -3.775 1.604 1.00 0.00 O ATOM 1568 CB VAL B 28 -3.205 -1.719 -0.586 1.00 0.00 C ATOM 1569 CG1 VAL B 28 -4.214 -2.483 -1.445 1.00 0.00 C ATOM 1570 CG2 VAL B 28 -2.945 -0.347 -1.211 1.00 0.00 C ATOM 0 H VAL B 28 -1.745 -1.401 1.503 1.00 0.00 H new ATOM 0 HA VAL B 28 -4.655 -0.908 0.844 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.271 -2.279 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.813 -2.610 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.401 -3.461 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -5.147 -1.922 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.544 -0.475 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -3.879 0.213 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -2.226 0.200 -0.601 1.00 0.00 H new ATOM 1580 N THR B 29 -5.450 -3.063 1.655 1.00 0.00 N ATOM 1581 CA THR B 29 -5.943 -4.357 2.208 1.00 0.00 C ATOM 1582 C THR B 29 -7.276 -4.714 1.548 1.00 0.00 C ATOM 1583 O THR B 29 -8.031 -3.842 1.166 1.00 0.00 O ATOM 1584 CB THR B 29 -6.130 -4.106 3.705 1.00 0.00 C ATOM 1585 OG1 THR B 29 -6.254 -5.349 4.380 1.00 0.00 O ATOM 1586 CG2 THR B 29 -7.392 -3.271 3.934 1.00 0.00 C ATOM 0 H THR B 29 -6.170 -2.357 1.502 1.00 0.00 H new ATOM 0 HA THR B 29 -5.257 -5.184 2.025 1.00 0.00 H new ATOM 0 HB THR B 29 -5.266 -3.566 4.092 1.00 0.00 H new ATOM 0 HG1 THR B 29 -6.372 -5.190 5.340 1.00 0.00 H new ATOM 0 HG21 THR B 29 -7.522 -3.094 5.002 1.00 0.00 H new ATOM 0 HG22 THR B 29 -7.295 -2.316 3.417 1.00 0.00 H new ATOM 0 HG23 THR B 29 -8.258 -3.807 3.547 1.00 0.00 H new ATOM 1594 N PRO B 30 -7.518 -5.988 1.429 1.00 0.00 N ATOM 1595 CA PRO B 30 -8.772 -6.461 0.799 1.00 0.00 C ATOM 1596 C PRO B 30 -9.963 -6.209 1.726 1.00 0.00 C ATOM 1597 O PRO B 30 -9.794 -5.914 2.892 1.00 0.00 O ATOM 1598 CB PRO B 30 -8.534 -7.955 0.602 1.00 0.00 C ATOM 1599 CG PRO B 30 -7.510 -8.321 1.629 1.00 0.00 C ATOM 1600 CD PRO B 30 -6.663 -7.096 1.863 1.00 0.00 C ATOM 0 HA PRO B 30 -9.004 -5.949 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -9.454 -8.523 0.741 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -8.177 -8.169 -0.405 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -7.989 -8.641 2.554 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -6.897 -9.153 1.283 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -6.384 -6.998 2.912 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -5.737 -7.135 1.289 1.00 0.00 H new ATOM 1608 N PRO B 31 -11.132 -6.326 1.162 1.00 0.00 N ATOM 1609 CA PRO B 31 -12.376 -6.099 1.934 1.00 0.00 C ATOM 1610 C PRO B 31 -12.671 -7.280 2.859 1.00 0.00 C ATOM 1611 O PRO B 31 -11.958 -8.263 2.883 1.00 0.00 O ATOM 1612 CB PRO B 31 -13.448 -5.989 0.857 1.00 0.00 C ATOM 1613 CG PRO B 31 -12.906 -6.741 -0.316 1.00 0.00 C ATOM 1614 CD PRO B 31 -11.402 -6.677 -0.236 1.00 0.00 C ATOM 0 HA PRO B 31 -12.317 -5.220 2.576 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -14.392 -6.416 1.196 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -13.643 -4.948 0.601 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -13.248 -7.776 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -13.260 -6.303 -1.249 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -10.948 -7.631 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -10.998 -5.930 -0.920 1.00 0.00 H new ATOM 1697 N THR B 38 -12.330 -3.685 -1.776 1.00 0.00 N ATOM 1698 CA THR B 38 -10.924 -3.445 -1.334 1.00 0.00 C ATOM 1699 C THR B 38 -10.763 -1.999 -0.860 1.00 0.00 C ATOM 1700 O THR B 38 -11.401 -1.096 -1.363 1.00 0.00 O ATOM 1701 CB THR B 38 -10.069 -3.695 -2.579 1.00 0.00 C ATOM 1702 OG1 THR B 38 -10.839 -4.389 -3.550 1.00 0.00 O ATOM 1703 CG2 THR B 38 -8.843 -4.533 -2.207 1.00 0.00 C ATOM 0 HA THR B 38 -10.635 -4.090 -0.504 1.00 0.00 H new ATOM 0 HB THR B 38 -9.741 -2.739 -2.987 1.00 0.00 H new ATOM 0 HG1 THR B 38 -11.771 -4.442 -3.252 1.00 0.00 H new ATOM 0 HG21 THR B 38 -8.238 -4.708 -3.097 1.00 0.00 H new ATOM 0 HG22 THR B 38 -8.250 -4.000 -1.464 1.00 0.00 H new ATOM 0 HG23 THR B 38 -9.167 -5.489 -1.795 1.00 0.00 H new ATOM 1711 N GLU B 39 -9.918 -1.771 0.107 1.00 0.00 N ATOM 1712 CA GLU B 39 -9.724 -0.383 0.611 1.00 0.00 C ATOM 1713 C GLU B 39 -8.256 -0.140 0.964 1.00 0.00 C ATOM 1714 O GLU B 39 -7.514 -1.062 1.241 1.00 0.00 O ATOM 1715 CB GLU B 39 -10.594 -0.300 1.861 1.00 0.00 C ATOM 1716 CG GLU B 39 -11.087 1.133 2.027 1.00 0.00 C ATOM 1717 CD GLU B 39 -10.371 1.787 3.209 1.00 0.00 C ATOM 1718 OE1 GLU B 39 -9.166 1.627 3.309 1.00 0.00 O ATOM 1719 OE2 GLU B 39 -11.040 2.437 3.995 1.00 0.00 O ATOM 0 H GLU B 39 -9.354 -2.485 0.569 1.00 0.00 H new ATOM 0 HA GLU B 39 -9.995 0.367 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.440 -0.982 1.777 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.024 -0.606 2.738 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.900 1.701 1.116 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.164 1.141 2.192 1.00 0.00 H new ATOM 1726 N VAL B 40 -7.825 1.095 0.957 1.00 0.00 N ATOM 1727 CA VAL B 40 -6.399 1.379 1.293 1.00 0.00 C ATOM 1728 C VAL B 40 -6.301 2.409 2.419 1.00 0.00 C ATOM 1729 O VAL B 40 -7.288 2.938 2.888 1.00 0.00 O ATOM 1730 CB VAL B 40 -5.790 1.951 0.014 1.00 0.00 C ATOM 1731 CG1 VAL B 40 -4.270 1.782 0.042 1.00 0.00 C ATOM 1732 CG2 VAL B 40 -6.360 1.216 -1.197 1.00 0.00 C ATOM 0 H VAL B 40 -8.394 1.912 0.735 1.00 0.00 H new ATOM 0 HA VAL B 40 -5.883 0.481 1.634 1.00 0.00 H new ATOM 0 HB VAL B 40 -6.033 3.011 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.841 2.192 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.861 2.311 0.903 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -4.023 0.723 0.116 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -5.925 1.625 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -6.120 0.155 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -7.442 1.343 -1.223 1.00 0.00 H new ATOM 1742 N ILE B 41 -5.104 2.704 2.836 1.00 0.00 N ATOM 1743 CA ILE B 41 -4.900 3.709 3.914 1.00 0.00 C ATOM 1744 C ILE B 41 -3.624 4.489 3.622 1.00 0.00 C ATOM 1745 O ILE B 41 -2.531 3.961 3.684 1.00 0.00 O ATOM 1746 CB ILE B 41 -4.765 2.904 5.206 1.00 0.00 C ATOM 1747 CG1 ILE B 41 -5.789 1.765 5.208 1.00 0.00 C ATOM 1748 CG2 ILE B 41 -5.018 3.817 6.406 1.00 0.00 C ATOM 1749 CD1 ILE B 41 -5.571 0.884 6.440 1.00 0.00 C ATOM 0 H ILE B 41 -4.248 2.287 2.472 1.00 0.00 H new ATOM 0 HA ILE B 41 -5.718 4.425 3.987 1.00 0.00 H new ATOM 0 HB ILE B 41 -3.759 2.489 5.271 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -6.800 2.171 5.213 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -5.689 1.170 4.300 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -4.922 3.242 7.327 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -4.290 4.628 6.406 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -6.024 4.233 6.341 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -6.300 0.073 6.441 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -4.564 0.467 6.415 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -5.693 1.483 7.342 1.00 0.00 H new ATOM 1761 N ALA B 42 -3.754 5.734 3.274 1.00 0.00 N ATOM 1762 CA ALA B 42 -2.549 6.537 2.941 1.00 0.00 C ATOM 1763 C ALA B 42 -2.268 7.589 4.014 1.00 0.00 C ATOM 1764 O ALA B 42 -3.166 8.140 4.616 1.00 0.00 O ATOM 1765 CB ALA B 42 -2.901 7.210 1.619 1.00 0.00 C ATOM 0 H ALA B 42 -4.642 6.231 3.205 1.00 0.00 H new ATOM 0 HA ALA B 42 -1.652 5.921 2.879 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -2.065 7.829 1.292 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -3.106 6.449 0.866 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -3.784 7.835 1.753 1.00 0.00 H new ATOM 1771 N THR B 43 -1.016 7.882 4.234 1.00 0.00 N ATOM 1772 CA THR B 43 -0.651 8.911 5.245 1.00 0.00 C ATOM 1773 C THR B 43 -0.131 10.147 4.521 1.00 0.00 C ATOM 1774 O THR B 43 0.402 10.054 3.437 1.00 0.00 O ATOM 1775 CB THR B 43 0.459 8.280 6.085 1.00 0.00 C ATOM 1776 OG1 THR B 43 -0.050 7.142 6.766 1.00 0.00 O ATOM 1777 CG2 THR B 43 0.975 9.300 7.101 1.00 0.00 C ATOM 0 H THR B 43 -0.227 7.450 3.754 1.00 0.00 H new ATOM 0 HA THR B 43 -1.495 9.212 5.866 1.00 0.00 H new ATOM 0 HB THR B 43 1.278 7.975 5.434 1.00 0.00 H new ATOM 0 HG1 THR B 43 0.105 6.340 6.224 1.00 0.00 H new ATOM 0 HG21 THR B 43 1.767 8.849 7.699 1.00 0.00 H new ATOM 0 HG22 THR B 43 1.369 10.170 6.575 1.00 0.00 H new ATOM 0 HG23 THR B 43 0.158 9.609 7.753 1.00 0.00 H new ATOM 1785 N LEU B 44 -0.296 11.302 5.092 1.00 0.00 N ATOM 1786 CA LEU B 44 0.172 12.534 4.407 1.00 0.00 C ATOM 1787 C LEU B 44 1.398 13.121 5.108 1.00 0.00 C ATOM 1788 O LEU B 44 1.775 12.700 6.184 1.00 0.00 O ATOM 1789 CB LEU B 44 -1.009 13.486 4.518 1.00 0.00 C ATOM 1790 CG LEU B 44 -2.286 12.761 4.098 1.00 0.00 C ATOM 1791 CD1 LEU B 44 -3.495 13.621 4.456 1.00 0.00 C ATOM 1792 CD2 LEU B 44 -2.263 12.518 2.590 1.00 0.00 C ATOM 0 H LEU B 44 -0.734 11.447 6.002 1.00 0.00 H new ATOM 0 HA LEU B 44 0.473 12.347 3.376 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.103 13.848 5.542 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -0.848 14.358 3.885 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.350 11.805 4.617 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -4.409 13.107 4.158 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -3.512 13.795 5.532 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.429 14.576 3.935 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -3.175 12.001 2.291 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.200 13.473 2.068 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -1.398 11.907 2.333 1.00 0.00 H new ATOM 1804 N LYS B 45 2.024 14.092 4.500 1.00 0.00 N ATOM 1805 CA LYS B 45 3.229 14.709 5.122 1.00 0.00 C ATOM 1806 C LYS B 45 2.815 15.743 6.171 1.00 0.00 C ATOM 1807 O LYS B 45 2.202 16.745 5.863 1.00 0.00 O ATOM 1808 CB LYS B 45 3.968 15.386 3.967 1.00 0.00 C ATOM 1809 CG LYS B 45 5.208 14.566 3.605 1.00 0.00 C ATOM 1810 CD LYS B 45 6.061 15.345 2.601 1.00 0.00 C ATOM 1811 CE LYS B 45 7.069 14.400 1.945 1.00 0.00 C ATOM 1812 NZ LYS B 45 6.738 14.434 0.493 1.00 0.00 N ATOM 0 H LYS B 45 1.752 14.485 3.599 1.00 0.00 H new ATOM 0 HA LYS B 45 3.852 13.973 5.631 1.00 0.00 H new ATOM 0 HB2 LYS B 45 3.311 15.473 3.102 1.00 0.00 H new ATOM 0 HB3 LYS B 45 4.258 16.398 4.250 1.00 0.00 H new ATOM 0 HG2 LYS B 45 5.789 14.351 4.502 1.00 0.00 H new ATOM 0 HG3 LYS B 45 4.911 13.607 3.179 1.00 0.00 H new ATOM 0 HD2 LYS B 45 5.424 15.798 1.841 1.00 0.00 H new ATOM 0 HD3 LYS B 45 6.584 16.158 3.105 1.00 0.00 H new ATOM 0 HE2 LYS B 45 8.093 14.728 2.125 1.00 0.00 H new ATOM 0 HE3 LYS B 45 6.983 13.390 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 7.388 13.809 -0.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 5.760 14.110 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 6.835 15.406 0.137 1.00 0.00 H new ATOM 1826 N GLY B 46 3.145 15.507 7.412 1.00 0.00 N ATOM 1827 CA GLY B 46 2.772 16.474 8.478 1.00 0.00 C ATOM 1828 C GLY B 46 2.106 15.728 9.636 1.00 0.00 C ATOM 1829 O GLY B 46 2.135 16.168 10.768 1.00 0.00 O ATOM 0 H GLY B 46 3.657 14.685 7.732 1.00 0.00 H new ATOM 0 HA2 GLY B 46 3.658 17.000 8.833 1.00 0.00 H new ATOM 0 HA3 GLY B 46 2.093 17.227 8.079 1.00 0.00 H new ATOM 1833 N GLY B 47 1.508 14.601 9.362 1.00 0.00 N ATOM 1834 CA GLY B 47 0.842 13.831 10.445 1.00 0.00 C ATOM 1835 C GLY B 47 -0.664 13.804 10.198 1.00 0.00 C ATOM 1836 O GLY B 47 -1.438 14.388 10.930 1.00 0.00 O ATOM 0 H GLY B 47 1.453 14.182 8.434 1.00 0.00 H new ATOM 0 HA2 GLY B 47 1.234 12.815 10.477 1.00 0.00 H new ATOM 0 HA3 GLY B 47 1.055 14.286 11.413 1.00 0.00 H new ATOM 1840 N GLN B 48 -1.084 13.125 9.169 1.00 0.00 N ATOM 1841 CA GLN B 48 -2.538 13.052 8.864 1.00 0.00 C ATOM 1842 C GLN B 48 -2.800 11.919 7.870 1.00 0.00 C ATOM 1843 O GLN B 48 -2.663 12.084 6.675 1.00 0.00 O ATOM 1844 CB GLN B 48 -2.884 14.405 8.241 1.00 0.00 C ATOM 1845 CG GLN B 48 -3.808 15.180 9.183 1.00 0.00 C ATOM 1846 CD GLN B 48 -4.830 15.967 8.362 1.00 0.00 C ATOM 1847 OE1 GLN B 48 -4.488 16.930 7.708 1.00 0.00 O ATOM 1848 NE2 GLN B 48 -6.081 15.595 8.372 1.00 0.00 N ATOM 0 H GLN B 48 -0.480 12.616 8.524 1.00 0.00 H new ATOM 0 HA GLN B 48 -3.141 12.851 9.750 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -1.974 14.976 8.057 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.370 14.259 7.276 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -4.319 14.492 9.856 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -3.224 15.859 9.805 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -6.368 14.785 8.922 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -6.772 16.114 7.830 1.00 0.00 H new ATOM 1857 N LYS B 49 -3.166 10.767 8.357 1.00 0.00 N ATOM 1858 CA LYS B 49 -3.424 9.623 7.441 1.00 0.00 C ATOM 1859 C LYS B 49 -4.912 9.312 7.376 1.00 0.00 C ATOM 1860 O LYS B 49 -5.712 9.843 8.121 1.00 0.00 O ATOM 1861 CB LYS B 49 -2.672 8.448 8.058 1.00 0.00 C ATOM 1862 CG LYS B 49 -3.085 7.136 7.386 1.00 0.00 C ATOM 1863 CD LYS B 49 -2.392 5.964 8.084 1.00 0.00 C ATOM 1864 CE LYS B 49 -2.566 6.098 9.599 1.00 0.00 C ATOM 1865 NZ LYS B 49 -2.151 4.778 10.151 1.00 0.00 N ATOM 0 H LYS B 49 -3.297 10.569 9.349 1.00 0.00 H new ATOM 0 HA LYS B 49 -3.099 9.838 6.423 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -1.598 8.598 7.948 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -2.879 8.397 9.127 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -4.167 7.014 7.436 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -2.815 7.155 6.330 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -2.816 5.020 7.741 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -1.332 5.950 7.829 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -1.950 6.904 9.998 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -3.599 6.328 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -2.242 4.791 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -2.759 4.031 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -1.161 4.590 9.893 1.00 0.00 H new ATOM 1879 N VAL B 50 -5.276 8.451 6.482 1.00 0.00 N ATOM 1880 CA VAL B 50 -6.714 8.080 6.339 1.00 0.00 C ATOM 1881 C VAL B 50 -6.871 6.886 5.387 1.00 0.00 C ATOM 1882 O VAL B 50 -5.938 6.150 5.134 1.00 0.00 O ATOM 1883 CB VAL B 50 -7.383 9.333 5.766 1.00 0.00 C ATOM 1884 CG1 VAL B 50 -7.269 9.334 4.239 1.00 0.00 C ATOM 1885 CG2 VAL B 50 -8.859 9.354 6.169 1.00 0.00 C ATOM 0 H VAL B 50 -4.642 7.981 5.836 1.00 0.00 H new ATOM 0 HA VAL B 50 -7.161 7.776 7.285 1.00 0.00 H new ATOM 0 HB VAL B 50 -6.884 10.218 6.162 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -7.747 10.228 3.839 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -6.217 9.326 3.953 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -7.761 8.449 3.837 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -9.335 10.246 5.761 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -9.356 8.466 5.777 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -8.939 9.365 7.256 1.00 0.00 H new ATOM 1895 N CYS B 51 -8.048 6.701 4.850 1.00 0.00 N ATOM 1896 CA CYS B 51 -8.279 5.567 3.908 1.00 0.00 C ATOM 1897 C CYS B 51 -8.459 6.116 2.493 1.00 0.00 C ATOM 1898 O CYS B 51 -9.120 7.115 2.290 1.00 0.00 O ATOM 1899 CB CYS B 51 -9.568 4.907 4.396 1.00 0.00 C ATOM 1900 SG CYS B 51 -9.173 3.675 5.663 1.00 0.00 S ATOM 0 H CYS B 51 -8.863 7.289 5.024 1.00 0.00 H new ATOM 0 HA CYS B 51 -7.450 4.860 3.882 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -10.243 5.660 4.803 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -10.085 4.433 3.562 1.00 0.00 H new ATOM 0 HG CYS B 51 -9.960 2.649 5.531 1.00 0.00 H new ATOM 1905 N LEU B 52 -7.862 5.494 1.511 1.00 0.00 N ATOM 1906 CA LEU B 52 -7.995 6.013 0.135 1.00 0.00 C ATOM 1907 C LEU B 52 -8.752 5.034 -0.763 1.00 0.00 C ATOM 1908 O LEU B 52 -8.950 3.879 -0.429 1.00 0.00 O ATOM 1909 CB LEU B 52 -6.553 6.172 -0.349 1.00 0.00 C ATOM 1910 CG LEU B 52 -6.232 5.035 -1.311 1.00 0.00 C ATOM 1911 CD1 LEU B 52 -6.773 5.358 -2.692 1.00 0.00 C ATOM 1912 CD2 LEU B 52 -4.731 4.825 -1.426 1.00 0.00 C ATOM 0 H LEU B 52 -7.292 4.654 1.609 1.00 0.00 H new ATOM 0 HA LEU B 52 -8.560 6.945 0.106 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -6.425 7.134 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -5.866 6.156 0.497 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.696 4.129 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -6.540 4.541 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -7.854 5.488 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.314 6.277 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -4.530 4.008 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -4.263 5.737 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -4.322 4.579 -0.446 1.00 0.00 H new ATOM 1924 N ASP B 53 -9.128 5.516 -1.916 1.00 0.00 N ATOM 1925 CA ASP B 53 -9.834 4.701 -2.945 1.00 0.00 C ATOM 1926 C ASP B 53 -9.569 3.195 -2.771 1.00 0.00 C ATOM 1927 O ASP B 53 -8.751 2.791 -1.973 1.00 0.00 O ATOM 1928 CB ASP B 53 -9.193 5.202 -4.241 1.00 0.00 C ATOM 1929 CG ASP B 53 -10.236 5.275 -5.356 1.00 0.00 C ATOM 1930 OD1 ASP B 53 -11.413 5.319 -5.038 1.00 0.00 O ATOM 1931 OD2 ASP B 53 -9.842 5.293 -6.510 1.00 0.00 O ATOM 0 H ASP B 53 -8.967 6.483 -2.197 1.00 0.00 H new ATOM 0 HA ASP B 53 -10.918 4.807 -2.901 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -8.753 6.186 -4.080 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -8.383 4.535 -4.535 1.00 0.00 H new ATOM 1936 N PRO B 54 -10.268 2.412 -3.552 1.00 0.00 N ATOM 1937 CA PRO B 54 -10.105 0.945 -3.499 1.00 0.00 C ATOM 1938 C PRO B 54 -8.949 0.556 -4.412 1.00 0.00 C ATOM 1939 O PRO B 54 -9.145 0.193 -5.553 1.00 0.00 O ATOM 1940 CB PRO B 54 -11.432 0.426 -4.041 1.00 0.00 C ATOM 1941 CG PRO B 54 -11.974 1.526 -4.911 1.00 0.00 C ATOM 1942 CD PRO B 54 -11.257 2.810 -4.557 1.00 0.00 C ATOM 0 HA PRO B 54 -9.883 0.548 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -11.290 -0.491 -4.613 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -12.122 0.192 -3.230 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -11.825 1.286 -5.964 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -13.048 1.636 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -10.779 3.252 -5.431 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -11.948 3.554 -4.161 1.00 0.00 H new ATOM 1950 N GLU B 55 -7.741 0.683 -3.936 1.00 0.00 N ATOM 1951 CA GLU B 55 -6.573 0.381 -4.803 1.00 0.00 C ATOM 1952 C GLU B 55 -6.458 1.522 -5.809 1.00 0.00 C ATOM 1953 O GLU B 55 -5.774 1.429 -6.804 1.00 0.00 O ATOM 1954 CB GLU B 55 -6.893 -0.963 -5.481 1.00 0.00 C ATOM 1955 CG GLU B 55 -7.274 -0.754 -6.952 1.00 0.00 C ATOM 1956 CD GLU B 55 -6.023 -0.869 -7.825 1.00 0.00 C ATOM 1957 OE1 GLU B 55 -4.939 -0.689 -7.297 1.00 0.00 O ATOM 1958 OE2 GLU B 55 -6.172 -1.135 -9.006 1.00 0.00 O ATOM 0 H GLU B 55 -7.515 0.982 -2.987 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.625 0.301 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.029 -1.624 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -7.711 -1.455 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -8.012 -1.496 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -7.734 0.226 -7.084 1.00 0.00 H new ATOM 1965 N ALA B 56 -7.147 2.602 -5.538 1.00 0.00 N ATOM 1966 CA ALA B 56 -7.119 3.770 -6.457 1.00 0.00 C ATOM 1967 C ALA B 56 -7.027 3.288 -7.903 1.00 0.00 C ATOM 1968 O ALA B 56 -6.025 3.476 -8.560 1.00 0.00 O ATOM 1969 CB ALA B 56 -5.880 4.577 -6.054 1.00 0.00 C ATOM 0 H ALA B 56 -7.732 2.721 -4.711 1.00 0.00 H new ATOM 0 HA ALA B 56 -8.020 4.379 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -5.795 5.457 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -5.972 4.891 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -4.990 3.959 -6.169 1.00 0.00 H new ATOM 1975 N PRO B 57 -8.095 2.679 -8.349 1.00 0.00 N ATOM 1976 CA PRO B 57 -8.153 2.165 -9.736 1.00 0.00 C ATOM 1977 C PRO B 57 -8.259 3.349 -10.690 1.00 0.00 C ATOM 1978 O PRO B 57 -7.444 3.526 -11.573 1.00 0.00 O ATOM 1979 CB PRO B 57 -9.423 1.318 -9.755 1.00 0.00 C ATOM 1980 CG PRO B 57 -10.273 1.874 -8.659 1.00 0.00 C ATOM 1981 CD PRO B 57 -9.335 2.421 -7.611 1.00 0.00 C ATOM 0 HA PRO B 57 -7.279 1.588 -10.039 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -9.928 1.385 -10.719 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -9.198 0.265 -9.585 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.928 2.659 -9.038 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.914 1.100 -8.237 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.728 3.332 -7.159 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.178 1.706 -6.803 1.00 0.00 H new ATOM 1989 N LEU B 58 -9.240 4.184 -10.491 1.00 0.00 N ATOM 1990 CA LEU B 58 -9.370 5.380 -11.359 1.00 0.00 C ATOM 1991 C LEU B 58 -8.182 6.298 -11.082 1.00 0.00 C ATOM 1992 O LEU B 58 -7.635 6.916 -11.972 1.00 0.00 O ATOM 1993 CB LEU B 58 -10.682 6.044 -10.940 1.00 0.00 C ATOM 1994 CG LEU B 58 -10.799 7.414 -11.608 1.00 0.00 C ATOM 1995 CD1 LEU B 58 -12.095 7.480 -12.417 1.00 0.00 C ATOM 1996 CD2 LEU B 58 -10.814 8.504 -10.533 1.00 0.00 C ATOM 0 H LEU B 58 -9.953 4.088 -9.768 1.00 0.00 H new ATOM 0 HA LEU B 58 -9.378 5.145 -12.423 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -11.526 5.416 -11.225 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -10.717 6.153 -9.856 1.00 0.00 H new ATOM 0 HG LEU B 58 -9.949 7.568 -12.272 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -12.178 8.457 -12.893 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -12.086 6.703 -13.182 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -12.946 7.326 -11.754 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -10.897 9.482 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -11.665 8.349 -9.869 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -9.891 8.458 -9.956 1.00 0.00 H new ATOM 2008 N VAL B 59 -7.769 6.374 -9.841 1.00 0.00 N ATOM 2009 CA VAL B 59 -6.602 7.232 -9.497 1.00 0.00 C ATOM 2010 C VAL B 59 -5.307 6.420 -9.591 1.00 0.00 C ATOM 2011 O VAL B 59 -4.233 6.901 -9.287 1.00 0.00 O ATOM 2012 CB VAL B 59 -6.845 7.680 -8.059 1.00 0.00 C ATOM 2013 CG1 VAL B 59 -5.691 8.575 -7.609 1.00 0.00 C ATOM 2014 CG2 VAL B 59 -8.159 8.462 -7.983 1.00 0.00 C ATOM 0 H VAL B 59 -8.191 5.879 -9.055 1.00 0.00 H new ATOM 0 HA VAL B 59 -6.500 8.080 -10.175 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.906 6.807 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -5.860 8.898 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.756 8.018 -7.665 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.633 9.448 -8.259 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -8.333 8.782 -6.956 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -8.100 9.337 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.981 7.825 -8.308 1.00 0.00 H new ATOM 2024 N GLN B 60 -5.401 5.187 -10.006 1.00 0.00 N ATOM 2025 CA GLN B 60 -4.179 4.338 -10.115 1.00 0.00 C ATOM 2026 C GLN B 60 -3.071 5.114 -10.820 1.00 0.00 C ATOM 2027 O GLN B 60 -1.946 5.167 -10.365 1.00 0.00 O ATOM 2028 CB GLN B 60 -4.607 3.131 -10.949 1.00 0.00 C ATOM 2029 CG GLN B 60 -3.609 1.984 -10.751 1.00 0.00 C ATOM 2030 CD GLN B 60 -3.349 1.775 -9.256 1.00 0.00 C ATOM 2031 OE1 GLN B 60 -2.270 2.052 -8.771 1.00 0.00 O ATOM 2032 NE2 GLN B 60 -4.296 1.289 -8.502 1.00 0.00 N ATOM 0 H GLN B 60 -6.272 4.729 -10.275 1.00 0.00 H new ATOM 0 HA GLN B 60 -3.791 4.038 -9.142 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -5.607 2.810 -10.656 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -4.657 3.405 -12.003 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -4.001 1.068 -11.193 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -2.674 2.210 -11.264 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -5.202 1.056 -8.908 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -4.130 1.142 -7.506 1.00 0.00 H new ATOM 2041 N LYS B 61 -3.387 5.723 -11.923 1.00 0.00 N ATOM 2042 CA LYS B 61 -2.355 6.507 -12.657 1.00 0.00 C ATOM 2043 C LYS B 61 -1.636 7.437 -11.682 1.00 0.00 C ATOM 2044 O LYS B 61 -0.456 7.298 -11.428 1.00 0.00 O ATOM 2045 CB LYS B 61 -3.129 7.311 -13.702 1.00 0.00 C ATOM 2046 CG LYS B 61 -2.829 6.759 -15.097 1.00 0.00 C ATOM 2047 CD LYS B 61 -2.066 7.807 -15.908 1.00 0.00 C ATOM 2048 CE LYS B 61 -0.613 7.865 -15.430 1.00 0.00 C ATOM 2049 NZ LYS B 61 -0.036 6.541 -15.796 1.00 0.00 N ATOM 0 H LYS B 61 -4.313 5.714 -12.350 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.598 5.875 -13.122 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -4.199 7.255 -13.500 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -2.849 8.363 -13.648 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -2.240 5.845 -15.019 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -3.758 6.498 -15.604 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -2.101 7.558 -16.969 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -2.537 8.784 -15.794 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -0.071 8.679 -15.911 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -0.557 8.037 -14.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 0.965 6.658 -16.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -0.113 5.893 -14.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -0.557 6.147 -16.605 1.00 0.00 H new ATOM 2063 N ILE B 62 -2.344 8.375 -11.123 1.00 0.00 N ATOM 2064 CA ILE B 62 -1.710 9.303 -10.148 1.00 0.00 C ATOM 2065 C ILE B 62 -1.033 8.491 -9.043 1.00 0.00 C ATOM 2066 O ILE B 62 -0.056 8.912 -8.458 1.00 0.00 O ATOM 2067 CB ILE B 62 -2.866 10.140 -9.594 1.00 0.00 C ATOM 2068 CG1 ILE B 62 -3.400 11.057 -10.697 1.00 0.00 C ATOM 2069 CG2 ILE B 62 -2.372 10.989 -8.422 1.00 0.00 C ATOM 2070 CD1 ILE B 62 -2.392 12.176 -10.967 1.00 0.00 C ATOM 0 H ILE B 62 -3.335 8.540 -11.299 1.00 0.00 H new ATOM 0 HA ILE B 62 -0.942 9.935 -10.594 1.00 0.00 H new ATOM 0 HB ILE B 62 -3.661 9.478 -9.250 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -3.575 10.484 -11.607 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -4.359 11.481 -10.399 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -3.197 11.584 -8.030 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -1.989 10.337 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.577 11.652 -8.763 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.774 12.828 -11.753 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -2.239 12.756 -10.057 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -1.444 11.743 -11.284 1.00 0.00 H new ATOM 2082 N ILE B 63 -1.529 7.312 -8.777 1.00 0.00 N ATOM 2083 CA ILE B 63 -0.898 6.456 -7.739 1.00 0.00 C ATOM 2084 C ILE B 63 0.402 5.905 -8.302 1.00 0.00 C ATOM 2085 O ILE B 63 1.466 6.101 -7.752 1.00 0.00 O ATOM 2086 CB ILE B 63 -1.918 5.343 -7.480 1.00 0.00 C ATOM 2087 CG1 ILE B 63 -2.580 5.579 -6.125 1.00 0.00 C ATOM 2088 CG2 ILE B 63 -1.223 3.983 -7.483 1.00 0.00 C ATOM 2089 CD1 ILE B 63 -3.038 7.032 -6.049 1.00 0.00 C ATOM 0 H ILE B 63 -2.345 6.907 -9.236 1.00 0.00 H new ATOM 0 HA ILE B 63 -0.657 6.983 -6.816 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.672 5.353 -8.267 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.430 4.908 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.879 5.361 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.957 3.199 -7.298 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.752 3.817 -8.452 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.464 3.961 -6.701 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.513 7.214 -5.085 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.177 7.691 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.752 7.231 -6.848 1.00 0.00 H new ATOM 2101 N GLN B 64 0.327 5.248 -9.420 1.00 0.00 N ATOM 2102 CA GLN B 64 1.573 4.726 -10.037 1.00 0.00 C ATOM 2103 C GLN B 64 2.577 5.872 -10.079 1.00 0.00 C ATOM 2104 O GLN B 64 3.774 5.676 -10.030 1.00 0.00 O ATOM 2105 CB GLN B 64 1.178 4.290 -11.449 1.00 0.00 C ATOM 2106 CG GLN B 64 1.085 2.764 -11.505 1.00 0.00 C ATOM 2107 CD GLN B 64 1.179 2.300 -12.959 1.00 0.00 C ATOM 2108 OE1 GLN B 64 0.478 2.802 -13.816 1.00 0.00 O ATOM 2109 NE2 GLN B 64 2.021 1.355 -13.276 1.00 0.00 N ATOM 0 H GLN B 64 -0.534 5.051 -9.930 1.00 0.00 H new ATOM 0 HA GLN B 64 2.019 3.894 -9.493 1.00 0.00 H new ATOM 0 HB2 GLN B 64 0.221 4.734 -11.724 1.00 0.00 H new ATOM 0 HB3 GLN B 64 1.913 4.647 -12.170 1.00 0.00 H new ATOM 0 HG2 GLN B 64 1.888 2.318 -10.917 1.00 0.00 H new ATOM 0 HG3 GLN B 64 0.145 2.430 -11.066 1.00 0.00 H new ATOM 0 HE21 GLN B 64 2.609 0.934 -12.557 1.00 0.00 H new ATOM 0 HE22 GLN B 64 2.091 1.038 -14.243 1.00 0.00 H new ATOM 2118 N LYS B 65 2.078 7.080 -10.137 1.00 0.00 N ATOM 2119 CA LYS B 65 2.978 8.262 -10.147 1.00 0.00 C ATOM 2120 C LYS B 65 3.585 8.424 -8.755 1.00 0.00 C ATOM 2121 O LYS B 65 4.728 8.804 -8.599 1.00 0.00 O ATOM 2122 CB LYS B 65 2.075 9.450 -10.486 1.00 0.00 C ATOM 2123 CG LYS B 65 2.851 10.454 -11.338 1.00 0.00 C ATOM 2124 CD LYS B 65 3.117 11.721 -10.522 1.00 0.00 C ATOM 2125 CE LYS B 65 1.793 12.432 -10.235 1.00 0.00 C ATOM 2126 NZ LYS B 65 1.498 13.208 -11.471 1.00 0.00 N ATOM 0 H LYS B 65 1.082 7.295 -10.178 1.00 0.00 H new ATOM 0 HA LYS B 65 3.797 8.173 -10.861 1.00 0.00 H new ATOM 0 HB2 LYS B 65 1.191 9.107 -11.024 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.725 9.927 -9.571 1.00 0.00 H new ATOM 0 HG2 LYS B 65 3.794 10.016 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS B 65 2.284 10.700 -12.236 1.00 0.00 H new ATOM 0 HD2 LYS B 65 3.615 11.466 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS B 65 3.787 12.384 -11.069 1.00 0.00 H new ATOM 0 HE2 LYS B 65 0.999 11.717 -10.019 1.00 0.00 H new ATOM 0 HE3 LYS B 65 1.876 13.087 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 1.591 14.225 -11.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 2.168 12.938 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 0.528 13.004 -11.786 1.00 0.00 H new ATOM 2140 N ILE B 66 2.822 8.114 -7.741 1.00 0.00 N ATOM 2141 CA ILE B 66 3.344 8.222 -6.353 1.00 0.00 C ATOM 2142 C ILE B 66 4.265 7.035 -6.072 1.00 0.00 C ATOM 2143 O ILE B 66 5.263 7.147 -5.388 1.00 0.00 O ATOM 2144 CB ILE B 66 2.104 8.191 -5.451 1.00 0.00 C ATOM 2145 CG1 ILE B 66 2.310 9.144 -4.272 1.00 0.00 C ATOM 2146 CG2 ILE B 66 1.872 6.773 -4.923 1.00 0.00 C ATOM 2147 CD1 ILE B 66 2.639 10.542 -4.795 1.00 0.00 C ATOM 0 H ILE B 66 1.858 7.790 -7.817 1.00 0.00 H new ATOM 0 HA ILE B 66 3.925 9.129 -6.185 1.00 0.00 H new ATOM 0 HB ILE B 66 1.235 8.502 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE B 66 1.411 9.177 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE B 66 3.118 8.783 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE B 66 0.989 6.763 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE B 66 1.721 6.093 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE B 66 2.740 6.452 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE B 66 2.785 11.220 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE B 66 3.550 10.502 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE B 66 1.816 10.902 -5.413 1.00 0.00 H new ATOM 2159 N LEU B 67 3.935 5.898 -6.618 1.00 0.00 N ATOM 2160 CA LEU B 67 4.778 4.689 -6.418 1.00 0.00 C ATOM 2161 C LEU B 67 6.060 4.816 -7.240 1.00 0.00 C ATOM 2162 O LEU B 67 7.114 4.356 -6.850 1.00 0.00 O ATOM 2163 CB LEU B 67 3.922 3.531 -6.933 1.00 0.00 C ATOM 2164 CG LEU B 67 3.082 2.968 -5.786 1.00 0.00 C ATOM 2165 CD1 LEU B 67 1.771 3.746 -5.689 1.00 0.00 C ATOM 2166 CD2 LEU B 67 2.779 1.491 -6.055 1.00 0.00 C ATOM 0 H LEU B 67 3.109 5.755 -7.199 1.00 0.00 H new ATOM 0 HA LEU B 67 5.074 4.546 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU B 67 3.273 3.875 -7.738 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.559 2.750 -7.348 1.00 0.00 H new ATOM 0 HG LEU B 67 3.632 3.062 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.170 3.346 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.985 4.798 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.221 3.649 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.180 1.088 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.227 1.397 -6.990 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.714 0.935 -6.128 1.00 0.00 H new ATOM 2178 N ASN B 68 5.971 5.445 -8.380 1.00 0.00 N ATOM 2179 CA ASN B 68 7.175 5.614 -9.238 1.00 0.00 C ATOM 2180 C ASN B 68 7.898 6.916 -8.882 1.00 0.00 C ATOM 2181 O ASN B 68 8.866 7.291 -9.513 1.00 0.00 O ATOM 2182 CB ASN B 68 6.639 5.669 -10.668 1.00 0.00 C ATOM 2183 CG ASN B 68 7.587 4.910 -11.599 1.00 0.00 C ATOM 2184 OD1 ASN B 68 8.368 5.509 -12.311 1.00 0.00 O ATOM 2185 ND2 ASN B 68 7.550 3.605 -11.622 1.00 0.00 N ATOM 0 H ASN B 68 5.113 5.850 -8.754 1.00 0.00 H new ATOM 0 HA ASN B 68 7.894 4.806 -9.105 1.00 0.00 H new ATOM 0 HB2 ASN B 68 5.642 5.231 -10.711 1.00 0.00 H new ATOM 0 HB3 ASN B 68 6.546 6.705 -10.993 1.00 0.00 H new ATOM 0 HD21 ASN B 68 8.177 3.088 -12.238 1.00 0.00 H new ATOM 0 HD22 ASN B 68 6.894 3.103 -11.024 1.00 0.00 H new ATOM 2192 N LYS B 69 7.435 7.609 -7.876 1.00 0.00 N ATOM 2193 CA LYS B 69 8.097 8.886 -7.483 1.00 0.00 C ATOM 2194 C LYS B 69 9.365 8.607 -6.683 1.00 0.00 C ATOM 2195 O LYS B 69 9.956 9.491 -6.095 1.00 0.00 O ATOM 2196 CB LYS B 69 7.068 9.632 -6.633 1.00 0.00 C ATOM 2197 CG LYS B 69 6.697 10.947 -7.319 1.00 0.00 C ATOM 2198 CD LYS B 69 7.819 11.967 -7.110 1.00 0.00 C ATOM 2199 CE LYS B 69 7.553 13.205 -7.969 1.00 0.00 C ATOM 2200 NZ LYS B 69 7.561 14.345 -7.011 1.00 0.00 N ATOM 0 H LYS B 69 6.628 7.346 -7.310 1.00 0.00 H new ATOM 0 HA LYS B 69 8.400 9.472 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS B 69 6.178 9.017 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS B 69 7.474 9.829 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS B 69 6.536 10.781 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS B 69 5.762 11.331 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS B 69 7.878 12.247 -6.058 1.00 0.00 H new ATOM 0 HD3 LYS B 69 8.779 11.526 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS B 69 8.319 13.327 -8.734 1.00 0.00 H new ATOM 0 HE3 LYS B 69 6.596 13.129 -8.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 7.385 15.232 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 6.817 14.205 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 8.487 14.396 -6.540 1.00 0.00 H new