USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= -6.45! USER MOD Single : A 21 SER OG : rot -127:sc= 1.28 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= 0.122 (180deg=0.0222) USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.198) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.44 K(o=-0.44,f=-2.8) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 39 THR OG1 : rot 45:sc= 0.772 USER MOD Single : A 41 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0621) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.119 K(o=-0.12,f=-4.4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.31 USER MOD Single : A 53 LYS NZ :NH3+ -133:sc= 1.2 (180deg=-0.444) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -5.59 K(o=-5.6,f=-13!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.14 K(o=-1.1,f=-1.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 2.275 16.898 2.422 1.00 0.00 N ATOM 137 CA PRO A 9 2.173 15.431 2.626 1.00 0.00 C ATOM 138 C PRO A 9 0.815 15.073 3.235 1.00 0.00 C ATOM 139 O PRO A 9 0.570 15.300 4.405 1.00 0.00 O ATOM 140 CB PRO A 9 3.311 15.118 3.593 1.00 0.00 C ATOM 141 CG PRO A 9 3.566 16.396 4.324 1.00 0.00 C ATOM 142 CD PRO A 9 3.192 17.522 3.394 1.00 0.00 C ATOM 0 HA PRO A 9 2.248 14.862 1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.035 14.319 4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.201 14.785 3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.976 16.440 5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.613 16.470 4.616 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.708 18.338 3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.070 17.940 2.902 1.00 0.00 H new ATOM 150 N LYS A 10 -0.069 14.519 2.443 1.00 0.00 N ATOM 151 CA LYS A 10 -1.419 14.145 2.961 1.00 0.00 C ATOM 152 C LYS A 10 -1.297 13.067 4.044 1.00 0.00 C ATOM 153 O LYS A 10 -0.229 12.824 4.573 1.00 0.00 O ATOM 154 CB LYS A 10 -2.187 13.608 1.744 1.00 0.00 C ATOM 155 CG LYS A 10 -1.452 12.397 1.143 1.00 0.00 C ATOM 156 CD LYS A 10 -1.082 12.681 -0.316 1.00 0.00 C ATOM 157 CE LYS A 10 -0.130 11.595 -0.822 1.00 0.00 C ATOM 158 NZ LYS A 10 0.491 12.169 -2.048 1.00 0.00 N ATOM 0 H LYS A 10 0.088 14.309 1.457 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.930 14.993 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.196 13.320 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.286 14.392 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.552 12.184 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.085 11.511 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.981 12.707 -0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.610 13.660 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.625 11.352 -0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.666 10.673 -1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.158 11.482 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.251 12.385 -2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.000 13.042 -1.803 1.00 0.00 H new ATOM 172 N ARG A 11 -2.388 12.423 4.373 1.00 0.00 N ATOM 173 CA ARG A 11 -2.349 11.357 5.422 1.00 0.00 C ATOM 174 C ARG A 11 -1.398 10.227 4.993 1.00 0.00 C ATOM 175 O ARG A 11 -1.349 9.885 3.828 1.00 0.00 O ATOM 176 CB ARG A 11 -3.787 10.834 5.519 1.00 0.00 C ATOM 177 CG ARG A 11 -4.466 11.418 6.760 1.00 0.00 C ATOM 178 CD ARG A 11 -4.930 12.846 6.465 1.00 0.00 C ATOM 179 NE ARG A 11 -5.470 13.349 7.758 1.00 0.00 N ATOM 180 CZ ARG A 11 -6.618 13.970 7.790 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.729 13.286 7.770 1.00 0.00 N ATOM 182 NH2 ARG A 11 -6.654 15.273 7.842 1.00 0.00 N ATOM 0 H ARG A 11 -3.306 12.589 3.960 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.989 11.736 6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.345 11.109 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.785 9.745 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.317 10.800 7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.773 11.416 7.601 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.104 13.465 6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.692 12.861 5.686 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.943 13.208 8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.700 12.267 7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.626 13.770 7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.785 15.807 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.551 15.758 7.867 1.00 0.00 H new ATOM 196 N PRO A 12 -0.669 9.674 5.941 1.00 0.00 N ATOM 197 CA PRO A 12 0.271 8.576 5.611 1.00 0.00 C ATOM 198 C PRO A 12 -0.507 7.270 5.369 1.00 0.00 C ATOM 199 O PRO A 12 -1.355 6.912 6.163 1.00 0.00 O ATOM 200 CB PRO A 12 1.145 8.461 6.855 1.00 0.00 C ATOM 201 CG PRO A 12 0.313 9.004 7.972 1.00 0.00 C ATOM 202 CD PRO A 12 -0.643 10.005 7.376 1.00 0.00 C ATOM 0 HA PRO A 12 0.851 8.764 4.708 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.428 7.425 7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.069 9.028 6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.232 8.202 8.470 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.943 9.477 8.725 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.634 9.922 7.821 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.303 11.027 7.542 1.00 0.00 H new ATOM 210 N PRO A 13 -0.205 6.591 4.281 1.00 0.00 N ATOM 211 CA PRO A 13 -0.909 5.327 3.972 1.00 0.00 C ATOM 212 C PRO A 13 -0.289 4.170 4.760 1.00 0.00 C ATOM 213 O PRO A 13 0.613 4.365 5.555 1.00 0.00 O ATOM 214 CB PRO A 13 -0.684 5.146 2.475 1.00 0.00 C ATOM 215 CG PRO A 13 0.573 5.900 2.161 1.00 0.00 C ATOM 216 CD PRO A 13 0.794 6.920 3.252 1.00 0.00 C ATOM 0 HA PRO A 13 -1.966 5.348 4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.583 4.091 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.527 5.534 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.421 5.218 2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.490 6.392 1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.807 6.860 3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.658 7.935 2.878 1.00 0.00 H new ATOM 224 N SER A 14 -0.767 2.971 4.549 1.00 0.00 N ATOM 225 CA SER A 14 -0.210 1.798 5.287 1.00 0.00 C ATOM 226 C SER A 14 -0.675 0.488 4.643 1.00 0.00 C ATOM 227 O SER A 14 -1.411 -0.278 5.235 1.00 0.00 O ATOM 228 CB SER A 14 -0.763 1.930 6.705 1.00 0.00 C ATOM 229 OG SER A 14 -0.178 0.933 7.533 1.00 0.00 O ATOM 0 H SER A 14 -1.520 2.753 3.897 1.00 0.00 H new ATOM 0 HA SER A 14 0.880 1.781 5.273 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.545 2.922 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.848 1.821 6.696 1.00 0.00 H new ATOM 0 HG SER A 14 -0.530 1.016 8.444 1.00 0.00 H new ATOM 235 N ALA A 15 -0.262 0.225 3.423 1.00 0.00 N ATOM 236 CA ALA A 15 -0.678 -1.029 2.707 1.00 0.00 C ATOM 237 C ALA A 15 -2.178 -0.992 2.414 1.00 0.00 C ATOM 238 O ALA A 15 -2.584 -0.752 1.293 1.00 0.00 O ATOM 239 CB ALA A 15 -0.319 -2.212 3.624 1.00 0.00 C ATOM 0 H ALA A 15 0.354 0.834 2.885 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.166 -1.127 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.605 -3.146 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.755 -2.214 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.852 -2.114 4.570 1.00 0.00 H new ATOM 245 N PHE A 16 -3.006 -1.233 3.403 1.00 0.00 N ATOM 246 CA PHE A 16 -4.493 -1.216 3.180 1.00 0.00 C ATOM 247 C PHE A 16 -4.928 0.046 2.426 1.00 0.00 C ATOM 248 O PHE A 16 -5.688 -0.017 1.477 1.00 0.00 O ATOM 249 CB PHE A 16 -5.093 -1.213 4.585 1.00 0.00 C ATOM 250 CG PHE A 16 -6.553 -1.592 4.516 1.00 0.00 C ATOM 251 CD1 PHE A 16 -6.937 -2.796 3.911 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.523 -0.740 5.055 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.291 -3.145 3.846 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.877 -1.090 4.991 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.261 -2.293 4.387 1.00 0.00 C ATOM 0 H PHE A 16 -2.718 -1.442 4.359 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.819 -2.065 2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.555 -1.915 5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.984 -0.226 5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.189 -3.454 3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.227 0.188 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.587 -4.072 3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.625 -0.432 5.408 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.305 -2.564 4.338 1.00 0.00 H new ATOM 265 N PHE A 17 -4.447 1.188 2.844 1.00 0.00 N ATOM 266 CA PHE A 17 -4.822 2.460 2.156 1.00 0.00 C ATOM 267 C PHE A 17 -4.385 2.414 0.689 1.00 0.00 C ATOM 268 O PHE A 17 -5.025 2.983 -0.174 1.00 0.00 O ATOM 269 CB PHE A 17 -4.066 3.562 2.904 1.00 0.00 C ATOM 270 CG PHE A 17 -4.825 4.862 2.790 1.00 0.00 C ATOM 271 CD1 PHE A 17 -4.826 5.569 1.581 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.528 5.361 3.893 1.00 0.00 C ATOM 273 CE1 PHE A 17 -5.529 6.775 1.477 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.231 6.566 3.789 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.232 7.274 2.580 1.00 0.00 C ATOM 0 H PHE A 17 -3.810 1.295 3.633 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.899 2.629 2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.948 3.289 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.064 3.676 2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.285 5.184 0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.528 4.815 4.825 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.529 7.321 0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.773 6.950 4.640 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.775 8.204 2.499 1.00 0.00 H new ATOM 285 N LEU A 18 -3.293 1.747 0.406 1.00 0.00 N ATOM 286 CA LEU A 18 -2.800 1.669 -1.005 1.00 0.00 C ATOM 287 C LEU A 18 -3.593 0.622 -1.791 1.00 0.00 C ATOM 288 O LEU A 18 -3.768 0.739 -2.989 1.00 0.00 O ATOM 289 CB LEU A 18 -1.322 1.238 -0.917 1.00 0.00 C ATOM 290 CG LEU A 18 -0.542 2.078 0.114 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.939 1.706 0.051 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.697 3.573 -0.195 1.00 0.00 C ATOM 0 H LEU A 18 -2.721 1.253 1.091 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.916 2.625 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.266 0.184 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.855 1.339 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.937 1.875 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.494 2.298 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.058 0.647 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.323 1.908 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.142 4.156 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.308 3.781 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.751 3.846 -0.153 1.00 0.00 H new ATOM 304 N PHE A 19 -4.063 -0.403 -1.127 1.00 0.00 N ATOM 305 CA PHE A 19 -4.836 -1.473 -1.831 1.00 0.00 C ATOM 306 C PHE A 19 -6.267 -1.008 -2.116 1.00 0.00 C ATOM 307 O PHE A 19 -6.725 -1.045 -3.241 1.00 0.00 O ATOM 308 CB PHE A 19 -4.842 -2.657 -0.862 1.00 0.00 C ATOM 309 CG PHE A 19 -5.498 -3.848 -1.516 1.00 0.00 C ATOM 310 CD1 PHE A 19 -6.894 -3.927 -1.589 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.711 -4.876 -2.048 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.502 -5.034 -2.194 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.318 -5.983 -2.651 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.715 -6.062 -2.724 1.00 0.00 C ATOM 0 H PHE A 19 -3.945 -0.546 -0.124 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.394 -1.730 -2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.821 -2.906 -0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.377 -2.390 0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.502 -3.134 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.634 -4.815 -1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.579 -5.094 -2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.710 -6.776 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.184 -6.916 -3.189 1.00 0.00 H new ATOM 324 N CYS A 20 -6.974 -0.578 -1.102 1.00 0.00 N ATOM 325 CA CYS A 20 -8.384 -0.117 -1.302 1.00 0.00 C ATOM 326 C CYS A 20 -8.440 1.028 -2.321 1.00 0.00 C ATOM 327 O CYS A 20 -9.218 1.000 -3.256 1.00 0.00 O ATOM 328 CB CYS A 20 -8.847 0.370 0.074 1.00 0.00 C ATOM 329 SG CYS A 20 -10.597 0.823 0.000 1.00 0.00 S ATOM 0 H CYS A 20 -6.636 -0.526 -0.141 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.019 -0.914 -1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.694 -0.412 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.252 1.228 0.387 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.989 1.234 1.169 1.00 0.00 H new ATOM 335 N SER A 21 -7.626 2.035 -2.138 1.00 0.00 N ATOM 336 CA SER A 21 -7.629 3.192 -3.088 1.00 0.00 C ATOM 337 C SER A 21 -7.314 2.730 -4.515 1.00 0.00 C ATOM 338 O SER A 21 -7.672 3.385 -5.476 1.00 0.00 O ATOM 339 CB SER A 21 -6.536 4.133 -2.581 1.00 0.00 C ATOM 340 OG SER A 21 -5.274 3.487 -2.686 1.00 0.00 O ATOM 0 H SER A 21 -6.958 2.108 -1.371 1.00 0.00 H new ATOM 0 HA SER A 21 -8.604 3.677 -3.125 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.535 5.055 -3.163 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.731 4.410 -1.545 1.00 0.00 H new ATOM 0 HG SER A 21 -4.819 3.515 -1.818 1.00 0.00 H new ATOM 346 N GLU A 22 -6.634 1.618 -4.661 1.00 0.00 N ATOM 347 CA GLU A 22 -6.283 1.127 -6.028 1.00 0.00 C ATOM 348 C GLU A 22 -7.249 0.030 -6.491 1.00 0.00 C ATOM 349 O GLU A 22 -7.430 -0.180 -7.676 1.00 0.00 O ATOM 350 CB GLU A 22 -4.871 0.565 -5.893 1.00 0.00 C ATOM 351 CG GLU A 22 -3.849 1.684 -6.099 1.00 0.00 C ATOM 352 CD GLU A 22 -3.923 2.184 -7.544 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.567 1.425 -8.431 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.334 3.316 -7.738 1.00 0.00 O ATOM 0 H GLU A 22 -6.308 1.031 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.347 1.924 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.740 0.117 -4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.712 -0.225 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.048 2.504 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.845 1.319 -5.880 1.00 0.00 H new ATOM 361 N TYR A 23 -7.857 -0.680 -5.572 1.00 0.00 N ATOM 362 CA TYR A 23 -8.797 -1.773 -5.971 1.00 0.00 C ATOM 363 C TYR A 23 -10.211 -1.229 -6.200 1.00 0.00 C ATOM 364 O TYR A 23 -10.930 -1.711 -7.051 1.00 0.00 O ATOM 365 CB TYR A 23 -8.782 -2.759 -4.800 1.00 0.00 C ATOM 366 CG TYR A 23 -7.787 -3.861 -5.084 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.415 -3.591 -5.045 1.00 0.00 C ATOM 368 CD2 TYR A 23 -8.240 -5.149 -5.393 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.493 -4.609 -5.313 1.00 0.00 C ATOM 370 CE2 TYR A 23 -7.317 -6.168 -5.660 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.944 -5.898 -5.621 1.00 0.00 C ATOM 372 OH TYR A 23 -5.034 -6.901 -5.887 1.00 0.00 O ATOM 0 H TYR A 23 -7.743 -0.550 -4.567 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.495 -2.242 -6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.515 -2.242 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.776 -3.181 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.067 -2.596 -4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.299 -5.357 -5.425 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.434 -4.400 -5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.665 -7.163 -5.896 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.513 -7.734 -6.081 1.00 0.00 H new ATOM 382 N ARG A 24 -10.618 -0.237 -5.443 1.00 0.00 N ATOM 383 CA ARG A 24 -11.992 0.340 -5.604 1.00 0.00 C ATOM 384 C ARG A 24 -12.344 0.606 -7.081 1.00 0.00 C ATOM 385 O ARG A 24 -13.351 0.117 -7.541 1.00 0.00 O ATOM 386 CB ARG A 24 -11.985 1.647 -4.820 1.00 0.00 C ATOM 387 CG ARG A 24 -12.071 1.347 -3.323 1.00 0.00 C ATOM 388 CD ARG A 24 -11.669 2.592 -2.526 1.00 0.00 C ATOM 389 NE ARG A 24 -12.635 2.652 -1.395 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.130 3.799 -1.019 1.00 0.00 C ATOM 391 NH1 ARG A 24 -12.395 4.635 -0.338 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.359 4.109 -1.323 1.00 0.00 N ATOM 0 H ARG A 24 -10.053 0.201 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.744 -0.360 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.076 2.208 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.825 2.271 -5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.085 1.046 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.415 0.514 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.643 2.516 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.725 3.490 -3.141 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.910 1.796 -0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.434 4.392 -0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.782 5.532 -0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.933 3.455 -1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.746 5.006 -1.029 1.00 0.00 H new ATOM 406 N PRO A 25 -11.512 1.357 -7.787 1.00 0.00 N ATOM 407 CA PRO A 25 -11.795 1.650 -9.224 1.00 0.00 C ATOM 408 C PRO A 25 -11.835 0.352 -10.029 1.00 0.00 C ATOM 409 O PRO A 25 -12.502 0.264 -11.043 1.00 0.00 O ATOM 410 CB PRO A 25 -10.636 2.555 -9.645 1.00 0.00 C ATOM 411 CG PRO A 25 -9.552 2.247 -8.670 1.00 0.00 C ATOM 412 CD PRO A 25 -10.245 1.979 -7.362 1.00 0.00 C ATOM 0 HA PRO A 25 -12.761 2.126 -9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.321 2.348 -10.668 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.919 3.607 -9.606 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.972 1.382 -8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.857 3.082 -8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.662 1.315 -6.724 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.414 2.896 -6.798 1.00 0.00 H new ATOM 420 N LYS A 26 -11.155 -0.664 -9.565 1.00 0.00 N ATOM 421 CA LYS A 26 -11.184 -1.972 -10.280 1.00 0.00 C ATOM 422 C LYS A 26 -12.572 -2.582 -10.114 1.00 0.00 C ATOM 423 O LYS A 26 -13.182 -3.052 -11.055 1.00 0.00 O ATOM 424 CB LYS A 26 -10.148 -2.840 -9.572 1.00 0.00 C ATOM 425 CG LYS A 26 -9.765 -4.018 -10.470 1.00 0.00 C ATOM 426 CD LYS A 26 -10.836 -5.104 -10.369 1.00 0.00 C ATOM 427 CE LYS A 26 -10.255 -6.442 -10.834 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.301 -7.449 -10.506 1.00 0.00 N ATOM 0 H LYS A 26 -10.581 -0.643 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.970 -1.879 -11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.264 -2.248 -9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.550 -3.206 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.666 -3.685 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.797 -4.418 -10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.189 -5.187 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.698 -4.838 -10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.040 -6.429 -11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.318 -6.665 -10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.857 -8.380 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.791 -7.169 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.987 -7.503 -11.285 1.00 0.00 H new ATOM 442 N ILE A 27 -13.070 -2.570 -8.903 1.00 0.00 N ATOM 443 CA ILE A 27 -14.424 -3.139 -8.627 1.00 0.00 C ATOM 444 C ILE A 27 -15.480 -2.442 -9.485 1.00 0.00 C ATOM 445 O ILE A 27 -16.506 -3.009 -9.803 1.00 0.00 O ATOM 446 CB ILE A 27 -14.717 -2.819 -7.145 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.634 -3.386 -6.211 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.072 -3.411 -6.752 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.406 -4.871 -6.487 1.00 0.00 C ATOM 0 H ILE A 27 -12.592 -2.187 -8.087 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.450 -4.207 -8.846 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.726 -1.734 -7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.702 -2.838 -6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.933 -3.246 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.278 -3.185 -5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.853 -2.979 -7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.051 -4.492 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.636 -5.252 -5.816 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.334 -5.418 -6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.085 -5.004 -7.520 1.00 0.00 H new ATOM 461 N LYS A 28 -15.252 -1.202 -9.813 1.00 0.00 N ATOM 462 CA LYS A 28 -16.269 -0.437 -10.594 1.00 0.00 C ATOM 463 C LYS A 28 -16.276 -0.903 -12.052 1.00 0.00 C ATOM 464 O LYS A 28 -17.316 -0.970 -12.682 1.00 0.00 O ATOM 465 CB LYS A 28 -15.897 1.064 -10.500 1.00 0.00 C ATOM 466 CG LYS A 28 -15.293 1.473 -9.135 1.00 0.00 C ATOM 467 CD LYS A 28 -16.014 0.826 -7.934 1.00 0.00 C ATOM 468 CE LYS A 28 -17.509 1.149 -7.987 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.611 2.571 -7.558 1.00 0.00 N ATOM 0 H LYS A 28 -14.407 -0.683 -9.575 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.268 -0.603 -10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.183 1.302 -11.289 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.789 1.662 -10.686 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.240 1.193 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.337 2.558 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.866 -0.254 -7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.587 1.194 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.907 1.010 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.078 0.495 -7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.368 2.667 -6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.708 2.873 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.828 3.167 -8.382 1.00 0.00 H new ATOM 483 N SER A 29 -15.130 -1.230 -12.590 1.00 0.00 N ATOM 484 CA SER A 29 -15.073 -1.699 -14.008 1.00 0.00 C ATOM 485 C SER A 29 -15.764 -3.062 -14.151 1.00 0.00 C ATOM 486 O SER A 29 -16.131 -3.465 -15.239 1.00 0.00 O ATOM 487 CB SER A 29 -13.583 -1.821 -14.332 1.00 0.00 C ATOM 488 OG SER A 29 -13.425 -2.123 -15.712 1.00 0.00 O ATOM 0 H SER A 29 -14.231 -1.193 -12.110 1.00 0.00 H new ATOM 0 HA SER A 29 -15.583 -1.012 -14.684 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.069 -0.890 -14.091 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.130 -2.603 -13.723 1.00 0.00 H new ATOM 0 HG SER A 29 -12.471 -2.200 -15.923 1.00 0.00 H new ATOM 494 N GLU A 30 -15.938 -3.777 -13.064 1.00 0.00 N ATOM 495 CA GLU A 30 -16.596 -5.115 -13.137 1.00 0.00 C ATOM 496 C GLU A 30 -17.889 -5.148 -12.310 1.00 0.00 C ATOM 497 O GLU A 30 -18.678 -6.066 -12.431 1.00 0.00 O ATOM 498 CB GLU A 30 -15.565 -6.082 -12.557 1.00 0.00 C ATOM 499 CG GLU A 30 -14.606 -6.529 -13.660 1.00 0.00 C ATOM 500 CD GLU A 30 -14.170 -7.972 -13.406 1.00 0.00 C ATOM 501 OE1 GLU A 30 -13.806 -8.270 -12.280 1.00 0.00 O ATOM 502 OE2 GLU A 30 -14.206 -8.755 -14.341 1.00 0.00 O ATOM 0 H GLU A 30 -15.651 -3.488 -12.129 1.00 0.00 H new ATOM 0 HA GLU A 30 -16.884 -5.370 -14.157 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.010 -5.599 -11.752 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.066 -6.948 -12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.092 -6.451 -14.632 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.735 -5.874 -13.686 1.00 0.00 H new ATOM 509 N HIS A 31 -18.122 -4.157 -11.481 1.00 0.00 N ATOM 510 CA HIS A 31 -19.375 -4.144 -10.664 1.00 0.00 C ATOM 511 C HIS A 31 -20.024 -2.754 -10.732 1.00 0.00 C ATOM 512 O HIS A 31 -19.674 -1.877 -9.968 1.00 0.00 O ATOM 513 CB HIS A 31 -18.958 -4.473 -9.224 1.00 0.00 C ATOM 514 CG HIS A 31 -18.173 -5.758 -9.193 1.00 0.00 C ATOM 515 ND1 HIS A 31 -16.804 -5.778 -8.989 1.00 0.00 N ATOM 516 CD2 HIS A 31 -18.547 -7.070 -9.344 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.405 -7.061 -9.024 1.00 0.00 C ATOM 518 NE2 HIS A 31 -17.429 -7.892 -9.237 1.00 0.00 N ATOM 0 H HIS A 31 -17.501 -3.361 -11.336 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.103 -4.867 -11.033 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.356 -3.660 -8.817 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.842 -4.563 -8.593 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.556 -7.413 -9.519 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.382 -7.381 -8.896 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -17.398 -8.909 -9.306 1.00 0.00 H new ATOM 526 N PRO A 32 -20.953 -2.592 -11.650 1.00 0.00 N ATOM 527 CA PRO A 32 -21.638 -1.287 -11.800 1.00 0.00 C ATOM 528 C PRO A 32 -22.656 -1.096 -10.677 1.00 0.00 C ATOM 529 O PRO A 32 -22.880 0.005 -10.210 1.00 0.00 O ATOM 530 CB PRO A 32 -22.329 -1.394 -13.155 1.00 0.00 C ATOM 531 CG PRO A 32 -22.512 -2.860 -13.396 1.00 0.00 C ATOM 532 CD PRO A 32 -21.449 -3.587 -12.616 1.00 0.00 C ATOM 0 HA PRO A 32 -20.960 -0.435 -11.746 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.287 -0.875 -13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.725 -0.940 -13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.505 -3.179 -13.079 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.429 -3.086 -14.459 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.857 -4.462 -12.110 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.650 -3.940 -13.268 1.00 0.00 H new ATOM 540 N GLY A 33 -23.264 -2.164 -10.241 1.00 0.00 N ATOM 541 CA GLY A 33 -24.265 -2.067 -9.143 1.00 0.00 C ATOM 542 C GLY A 33 -23.547 -1.892 -7.797 1.00 0.00 C ATOM 543 O GLY A 33 -24.128 -1.427 -6.839 1.00 0.00 O ATOM 0 H GLY A 33 -23.109 -3.106 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.933 -1.224 -9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.883 -2.965 -9.122 1.00 0.00 H new ATOM 547 N LEU A 34 -22.290 -2.270 -7.721 1.00 0.00 N ATOM 548 CA LEU A 34 -21.513 -2.140 -6.437 1.00 0.00 C ATOM 549 C LEU A 34 -21.641 -0.726 -5.845 1.00 0.00 C ATOM 550 O LEU A 34 -20.863 0.157 -6.153 1.00 0.00 O ATOM 551 CB LEU A 34 -20.049 -2.425 -6.832 1.00 0.00 C ATOM 552 CG LEU A 34 -19.479 -3.603 -6.023 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.354 -3.201 -4.554 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.391 -4.834 -6.142 1.00 0.00 C ATOM 0 H LEU A 34 -21.763 -2.667 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.882 -2.824 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.993 -2.650 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.443 -1.535 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.497 -3.856 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.950 -4.036 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.686 -2.344 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.337 -2.936 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.970 -5.656 -5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.382 -4.591 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.468 -5.130 -7.188 1.00 0.00 H new ATOM 566 N SER A 35 -22.615 -0.515 -4.995 1.00 0.00 N ATOM 567 CA SER A 35 -22.800 0.832 -4.372 1.00 0.00 C ATOM 568 C SER A 35 -21.771 1.032 -3.257 1.00 0.00 C ATOM 569 O SER A 35 -21.145 0.091 -2.812 1.00 0.00 O ATOM 570 CB SER A 35 -24.217 0.818 -3.799 1.00 0.00 C ATOM 571 OG SER A 35 -24.362 -0.300 -2.933 1.00 0.00 O ATOM 0 H SER A 35 -23.292 -1.220 -4.705 1.00 0.00 H new ATOM 0 HA SER A 35 -22.664 1.643 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.411 1.742 -3.254 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.948 0.765 -4.606 1.00 0.00 H new ATOM 0 HG SER A 35 -25.269 -0.311 -2.562 1.00 0.00 H new ATOM 577 N ILE A 36 -21.593 2.251 -2.800 1.00 0.00 N ATOM 578 CA ILE A 36 -20.596 2.513 -1.706 1.00 0.00 C ATOM 579 C ILE A 36 -20.851 1.568 -0.518 1.00 0.00 C ATOM 580 O ILE A 36 -19.946 1.238 0.225 1.00 0.00 O ATOM 581 CB ILE A 36 -20.790 3.993 -1.314 1.00 0.00 C ATOM 582 CG1 ILE A 36 -20.149 4.884 -2.384 1.00 0.00 C ATOM 583 CG2 ILE A 36 -20.117 4.286 0.037 1.00 0.00 C ATOM 584 CD1 ILE A 36 -21.187 5.258 -3.442 1.00 0.00 C ATOM 0 H ILE A 36 -22.093 3.075 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 36 -19.570 2.330 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 36 -21.858 4.197 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.745 5.786 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -19.313 4.362 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -20.264 5.334 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -20.559 3.655 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -19.050 4.077 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -20.724 5.891 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -21.570 4.352 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -22.009 5.798 -2.971 1.00 0.00 H new ATOM 596 N GLY A 37 -22.074 1.133 -0.344 1.00 0.00 N ATOM 597 CA GLY A 37 -22.385 0.208 0.783 1.00 0.00 C ATOM 598 C GLY A 37 -21.593 -1.087 0.599 1.00 0.00 C ATOM 599 O GLY A 37 -20.775 -1.444 1.426 1.00 0.00 O ATOM 0 H GLY A 37 -22.868 1.380 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -22.128 0.674 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -23.454 -0.005 0.811 1.00 0.00 H new ATOM 603 N ASP A 38 -21.833 -1.789 -0.480 1.00 0.00 N ATOM 604 CA ASP A 38 -21.092 -3.061 -0.721 1.00 0.00 C ATOM 605 C ASP A 38 -19.668 -2.771 -1.210 1.00 0.00 C ATOM 606 O ASP A 38 -18.783 -3.571 -1.024 1.00 0.00 O ATOM 607 CB ASP A 38 -21.905 -3.815 -1.776 1.00 0.00 C ATOM 608 CG ASP A 38 -21.224 -5.148 -2.112 1.00 0.00 C ATOM 609 OD1 ASP A 38 -20.498 -5.655 -1.270 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.445 -5.642 -3.204 1.00 0.00 O ATOM 0 H ASP A 38 -22.508 -1.536 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.985 -3.651 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.915 -3.996 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.999 -3.208 -2.677 1.00 0.00 H new ATOM 615 N THR A 39 -19.430 -1.632 -1.822 1.00 0.00 N ATOM 616 CA THR A 39 -18.040 -1.306 -2.306 1.00 0.00 C ATOM 617 C THR A 39 -17.032 -1.460 -1.157 1.00 0.00 C ATOM 618 O THR A 39 -15.988 -2.066 -1.314 1.00 0.00 O ATOM 619 CB THR A 39 -18.104 0.150 -2.785 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.951 0.235 -3.922 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.705 0.649 -3.163 1.00 0.00 C ATOM 0 H THR A 39 -20.132 -0.916 -2.008 1.00 0.00 H new ATOM 0 HA THR A 39 -17.715 -1.973 -3.104 1.00 0.00 H new ATOM 0 HB THR A 39 -18.497 0.769 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.764 -0.289 -3.764 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.767 1.683 -3.501 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.050 0.590 -2.294 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.302 0.029 -3.964 1.00 0.00 H new ATOM 629 N ALA A 40 -17.357 -0.942 -0.001 1.00 0.00 N ATOM 630 CA ALA A 40 -16.440 -1.084 1.168 1.00 0.00 C ATOM 631 C ALA A 40 -16.568 -2.508 1.699 1.00 0.00 C ATOM 632 O ALA A 40 -15.595 -3.172 1.999 1.00 0.00 O ATOM 633 CB ALA A 40 -16.941 -0.072 2.200 1.00 0.00 C ATOM 0 H ALA A 40 -18.218 -0.427 0.184 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.393 -0.903 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.313 -0.119 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.896 0.932 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.971 -0.307 2.469 1.00 0.00 H new ATOM 639 N LYS A 41 -17.782 -2.977 1.799 1.00 0.00 N ATOM 640 CA LYS A 41 -18.036 -4.368 2.292 1.00 0.00 C ATOM 641 C LYS A 41 -17.301 -5.382 1.406 1.00 0.00 C ATOM 642 O LYS A 41 -16.902 -6.440 1.852 1.00 0.00 O ATOM 643 CB LYS A 41 -19.560 -4.555 2.172 1.00 0.00 C ATOM 644 CG LYS A 41 -20.160 -4.923 3.534 1.00 0.00 C ATOM 645 CD LYS A 41 -20.976 -3.763 4.115 1.00 0.00 C ATOM 646 CE LYS A 41 -20.078 -2.550 4.271 1.00 0.00 C ATOM 647 NZ LYS A 41 -19.354 -2.763 5.555 1.00 0.00 N ATOM 0 H LYS A 41 -18.622 -2.451 1.558 1.00 0.00 H new ATOM 0 HA LYS A 41 -17.683 -4.520 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.018 -3.638 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.781 -5.338 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -20.797 -5.801 3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.361 -5.191 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.814 -3.528 3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.396 -4.046 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.382 -2.465 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -20.661 -1.629 4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.569 -1.983 6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.657 -3.663 5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.330 -2.792 5.375 1.00 0.00 H new ATOM 661 N LYS A 42 -17.131 -5.059 0.149 1.00 0.00 N ATOM 662 CA LYS A 42 -16.436 -5.982 -0.797 1.00 0.00 C ATOM 663 C LYS A 42 -14.918 -5.741 -0.785 1.00 0.00 C ATOM 664 O LYS A 42 -14.173 -6.445 -1.441 1.00 0.00 O ATOM 665 CB LYS A 42 -17.024 -5.626 -2.170 1.00 0.00 C ATOM 666 CG LYS A 42 -16.869 -6.799 -3.144 1.00 0.00 C ATOM 667 CD LYS A 42 -17.620 -8.024 -2.612 1.00 0.00 C ATOM 668 CE LYS A 42 -18.281 -8.766 -3.774 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.097 -10.211 -3.463 1.00 0.00 N ATOM 0 H LYS A 42 -17.449 -4.183 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.581 -7.030 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.078 -5.371 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.521 -4.745 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.256 -6.522 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.813 -7.037 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.930 -8.687 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.375 -7.715 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.338 -8.511 -3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.816 -8.505 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.525 -10.786 -4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.081 -10.426 -3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.556 -10.432 -2.556 1.00 0.00 H new ATOM 683 N LEU A 43 -14.452 -4.767 -0.036 1.00 0.00 N ATOM 684 CA LEU A 43 -12.986 -4.501 0.023 1.00 0.00 C ATOM 685 C LEU A 43 -12.375 -5.322 1.158 1.00 0.00 C ATOM 686 O LEU A 43 -11.327 -5.921 1.013 1.00 0.00 O ATOM 687 CB LEU A 43 -12.861 -3.006 0.310 1.00 0.00 C ATOM 688 CG LEU A 43 -12.869 -2.229 -1.006 1.00 0.00 C ATOM 689 CD1 LEU A 43 -13.248 -0.772 -0.736 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.477 -2.284 -1.640 1.00 0.00 C ATOM 0 H LEU A 43 -15.027 -4.148 0.535 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.468 -4.773 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.685 -2.677 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.939 -2.806 0.856 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.596 -2.674 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.254 -0.218 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.239 -0.732 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.521 -0.327 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.483 -1.730 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.750 -1.839 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.206 -3.322 -1.833 1.00 0.00 H new ATOM 702 N GLY A 44 -13.041 -5.361 2.285 1.00 0.00 N ATOM 703 CA GLY A 44 -12.525 -6.152 3.439 1.00 0.00 C ATOM 704 C GLY A 44 -12.662 -7.639 3.116 1.00 0.00 C ATOM 705 O GLY A 44 -11.857 -8.450 3.533 1.00 0.00 O ATOM 0 H GLY A 44 -13.923 -4.877 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.482 -5.902 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.083 -5.909 4.343 1.00 0.00 H new ATOM 709 N GLU A 45 -13.676 -7.999 2.364 1.00 0.00 N ATOM 710 CA GLU A 45 -13.872 -9.436 1.995 1.00 0.00 C ATOM 711 C GLU A 45 -12.639 -9.954 1.252 1.00 0.00 C ATOM 712 O GLU A 45 -12.039 -10.940 1.637 1.00 0.00 O ATOM 713 CB GLU A 45 -15.096 -9.459 1.075 1.00 0.00 C ATOM 714 CG GLU A 45 -16.371 -9.510 1.920 1.00 0.00 C ATOM 715 CD GLU A 45 -16.640 -10.952 2.353 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.078 -11.728 1.520 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.402 -11.256 3.511 1.00 0.00 O ATOM 0 H GLU A 45 -14.376 -7.358 1.990 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.016 -10.069 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.103 -8.573 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.051 -10.324 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.265 -8.870 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.215 -9.128 1.346 1.00 0.00 H new ATOM 724 N MET A 46 -12.250 -9.281 0.198 1.00 0.00 N ATOM 725 CA MET A 46 -11.044 -9.715 -0.569 1.00 0.00 C ATOM 726 C MET A 46 -9.800 -9.556 0.306 1.00 0.00 C ATOM 727 O MET A 46 -9.045 -10.489 0.503 1.00 0.00 O ATOM 728 CB MET A 46 -10.971 -8.778 -1.777 1.00 0.00 C ATOM 729 CG MET A 46 -12.059 -9.156 -2.784 1.00 0.00 C ATOM 730 SD MET A 46 -11.919 -8.097 -4.245 1.00 0.00 S ATOM 731 CE MET A 46 -13.222 -8.883 -5.221 1.00 0.00 C ATOM 0 H MET A 46 -12.716 -8.449 -0.164 1.00 0.00 H new ATOM 0 HA MET A 46 -11.100 -10.759 -0.876 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.101 -7.744 -1.457 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.989 -8.846 -2.244 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.958 -10.203 -3.069 1.00 0.00 H new ATOM 0 HG3 MET A 46 -13.044 -9.042 -2.332 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.310 -8.379 -6.183 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.973 -9.932 -5.383 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.169 -8.813 -4.686 1.00 0.00 H new ATOM 741 N TRP A 47 -9.583 -8.373 0.831 1.00 0.00 N ATOM 742 CA TRP A 47 -8.383 -8.133 1.699 1.00 0.00 C ATOM 743 C TRP A 47 -8.290 -9.193 2.805 1.00 0.00 C ATOM 744 O TRP A 47 -7.293 -9.880 2.935 1.00 0.00 O ATOM 745 CB TRP A 47 -8.599 -6.747 2.309 1.00 0.00 C ATOM 746 CG TRP A 47 -7.384 -6.349 3.083 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.341 -6.165 4.423 1.00 0.00 C ATOM 748 CD2 TRP A 47 -6.039 -6.086 2.591 1.00 0.00 C ATOM 749 NE1 TRP A 47 -6.056 -5.804 4.784 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.216 -5.742 3.689 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.459 -6.109 1.309 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.865 -5.434 3.523 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.099 -5.801 1.139 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.303 -5.464 2.243 1.00 0.00 C ATOM 0 H TRP A 47 -10.186 -7.561 0.696 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.456 -8.191 1.129 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.797 -6.019 1.523 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.472 -6.757 2.962 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.174 -6.281 5.100 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.764 -5.608 5.741 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.063 -6.365 0.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.258 -5.174 4.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.663 -5.824 0.151 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.258 -5.228 2.105 1.00 0.00 H new ATOM 765 N SER A 48 -9.321 -9.328 3.601 1.00 0.00 N ATOM 766 CA SER A 48 -9.299 -10.341 4.701 1.00 0.00 C ATOM 767 C SER A 48 -9.149 -11.750 4.121 1.00 0.00 C ATOM 768 O SER A 48 -8.519 -12.608 4.711 1.00 0.00 O ATOM 769 CB SER A 48 -10.647 -10.197 5.411 1.00 0.00 C ATOM 770 OG SER A 48 -10.689 -11.083 6.521 1.00 0.00 O ATOM 0 H SER A 48 -10.179 -8.780 3.537 1.00 0.00 H new ATOM 0 HA SER A 48 -8.463 -10.185 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.787 -9.169 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.460 -10.421 4.721 1.00 0.00 H new ATOM 0 HG SER A 48 -11.550 -10.993 6.979 1.00 0.00 H new ATOM 776 N GLU A 49 -9.723 -11.991 2.969 1.00 0.00 N ATOM 777 CA GLU A 49 -9.618 -13.344 2.343 1.00 0.00 C ATOM 778 C GLU A 49 -8.152 -13.676 2.049 1.00 0.00 C ATOM 779 O GLU A 49 -7.711 -14.794 2.231 1.00 0.00 O ATOM 780 CB GLU A 49 -10.415 -13.251 1.040 1.00 0.00 C ATOM 781 CG GLU A 49 -11.837 -13.765 1.272 1.00 0.00 C ATOM 782 CD GLU A 49 -12.652 -13.609 -0.013 1.00 0.00 C ATOM 783 OE1 GLU A 49 -12.485 -14.428 -0.902 1.00 0.00 O ATOM 784 OE2 GLU A 49 -13.430 -12.672 -0.087 1.00 0.00 O ATOM 0 H GLU A 49 -10.260 -11.308 2.435 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.001 -14.128 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.443 -12.219 0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.928 -13.837 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.812 -14.812 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.308 -13.210 2.083 1.00 0.00 H new ATOM 791 N GLN A 50 -7.399 -12.707 1.594 1.00 0.00 N ATOM 792 CA GLN A 50 -5.955 -12.951 1.280 1.00 0.00 C ATOM 793 C GLN A 50 -5.213 -13.462 2.518 1.00 0.00 C ATOM 794 O GLN A 50 -5.615 -13.217 3.640 1.00 0.00 O ATOM 795 CB GLN A 50 -5.400 -11.591 0.851 1.00 0.00 C ATOM 796 CG GLN A 50 -6.029 -11.180 -0.482 1.00 0.00 C ATOM 797 CD GLN A 50 -5.257 -11.829 -1.632 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.200 -11.363 -2.010 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.743 -12.895 -2.209 1.00 0.00 N ATOM 0 H GLN A 50 -7.721 -11.754 1.425 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.832 -13.706 0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.615 -10.842 1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.316 -11.643 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.074 -11.487 -0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.012 -10.095 -0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.630 -13.287 -1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.236 -13.336 -2.976 1.00 0.00 H new ATOM 808 N SER A 51 -4.129 -14.163 2.315 1.00 0.00 N ATOM 809 CA SER A 51 -3.340 -14.690 3.468 1.00 0.00 C ATOM 810 C SER A 51 -2.239 -13.687 3.833 1.00 0.00 C ATOM 811 O SER A 51 -2.401 -12.494 3.650 1.00 0.00 O ATOM 812 CB SER A 51 -2.747 -16.007 2.962 1.00 0.00 C ATOM 813 OG SER A 51 -2.125 -16.687 4.044 1.00 0.00 O ATOM 0 H SER A 51 -3.754 -14.395 1.395 1.00 0.00 H new ATOM 0 HA SER A 51 -3.939 -14.842 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.530 -16.629 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.020 -15.813 2.173 1.00 0.00 H new ATOM 0 HG SER A 51 -1.745 -17.532 3.724 1.00 0.00 H new ATOM 819 N ALA A 52 -1.123 -14.151 4.341 1.00 0.00 N ATOM 820 CA ALA A 52 -0.018 -13.213 4.707 1.00 0.00 C ATOM 821 C ALA A 52 0.882 -12.951 3.493 1.00 0.00 C ATOM 822 O ALA A 52 2.091 -13.061 3.573 1.00 0.00 O ATOM 823 CB ALA A 52 0.763 -13.931 5.808 1.00 0.00 C ATOM 0 H ALA A 52 -0.931 -15.137 4.517 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.393 -12.244 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.594 -13.305 6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.104 -14.125 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.148 -14.876 5.424 1.00 0.00 H new ATOM 829 N LYS A 53 0.300 -12.602 2.372 1.00 0.00 N ATOM 830 CA LYS A 53 1.114 -12.330 1.150 1.00 0.00 C ATOM 831 C LYS A 53 0.714 -10.982 0.542 1.00 0.00 C ATOM 832 O LYS A 53 1.552 -10.207 0.127 1.00 0.00 O ATOM 833 CB LYS A 53 0.783 -13.471 0.189 1.00 0.00 C ATOM 834 CG LYS A 53 1.811 -14.591 0.351 1.00 0.00 C ATOM 835 CD LYS A 53 1.302 -15.608 1.376 1.00 0.00 C ATOM 836 CE LYS A 53 2.479 -16.423 1.914 1.00 0.00 C ATOM 837 NZ LYS A 53 3.080 -15.572 2.980 1.00 0.00 N ATOM 0 H LYS A 53 -0.707 -12.494 2.252 1.00 0.00 H new ATOM 0 HA LYS A 53 2.181 -12.279 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.219 -13.851 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.785 -13.107 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.985 -15.081 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.766 -14.178 0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.798 -15.094 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.569 -16.269 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.146 -17.381 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.202 -16.640 1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.112 -15.541 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.695 -14.608 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.853 -15.972 3.913 1.00 0.00 H new ATOM 851 N ASP A 54 -0.562 -10.706 0.477 1.00 0.00 N ATOM 852 CA ASP A 54 -1.022 -9.410 -0.112 1.00 0.00 C ATOM 853 C ASP A 54 -0.450 -8.227 0.676 1.00 0.00 C ATOM 854 O ASP A 54 -0.237 -7.159 0.133 1.00 0.00 O ATOM 855 CB ASP A 54 -2.549 -9.436 -0.002 1.00 0.00 C ATOM 856 CG ASP A 54 -3.153 -8.526 -1.075 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.647 -8.535 -2.184 1.00 0.00 O ATOM 858 OD2 ASP A 54 -4.111 -7.837 -0.767 1.00 0.00 O ATOM 0 H ASP A 54 -1.307 -11.321 0.806 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.689 -9.293 -1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.916 -10.455 -0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.859 -9.103 0.989 1.00 0.00 H new ATOM 863 N LYS A 55 -0.211 -8.401 1.954 1.00 0.00 N ATOM 864 CA LYS A 55 0.334 -7.278 2.777 1.00 0.00 C ATOM 865 C LYS A 55 1.862 -7.359 2.884 1.00 0.00 C ATOM 866 O LYS A 55 2.448 -6.821 3.804 1.00 0.00 O ATOM 867 CB LYS A 55 -0.306 -7.453 4.155 1.00 0.00 C ATOM 868 CG LYS A 55 0.073 -6.274 5.054 1.00 0.00 C ATOM 869 CD LYS A 55 -0.985 -6.104 6.146 1.00 0.00 C ATOM 870 CE LYS A 55 -0.922 -4.680 6.703 1.00 0.00 C ATOM 871 NZ LYS A 55 -1.807 -4.694 7.900 1.00 0.00 N ATOM 0 H LYS A 55 -0.370 -9.272 2.461 1.00 0.00 H new ATOM 0 HA LYS A 55 0.109 -6.308 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.390 -7.515 4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.028 -8.388 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.051 -6.446 5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.150 -5.362 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.977 -6.303 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.817 -6.826 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.099 -4.406 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.265 -3.953 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.815 -3.750 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.773 -4.952 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.452 -5.390 8.586 1.00 0.00 H new ATOM 885 N GLN A 56 2.510 -8.023 1.958 1.00 0.00 N ATOM 886 CA GLN A 56 4.002 -8.123 2.017 1.00 0.00 C ATOM 887 C GLN A 56 4.663 -7.119 1.051 1.00 0.00 C ATOM 888 O GLN A 56 5.399 -6.262 1.494 1.00 0.00 O ATOM 889 CB GLN A 56 4.329 -9.567 1.636 1.00 0.00 C ATOM 890 CG GLN A 56 4.410 -10.425 2.901 1.00 0.00 C ATOM 891 CD GLN A 56 3.042 -10.473 3.584 1.00 0.00 C ATOM 892 OE1 GLN A 56 2.020 -10.444 2.927 1.00 0.00 O ATOM 893 NE2 GLN A 56 2.978 -10.543 4.885 1.00 0.00 N ATOM 0 H GLN A 56 2.073 -8.498 1.168 1.00 0.00 H new ATOM 0 HA GLN A 56 4.386 -7.878 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.564 -9.959 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.275 -9.606 1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.735 -11.434 2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.153 -10.013 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.835 -10.567 5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.071 -10.573 5.350 1.00 0.00 H new ATOM 902 N PRO A 57 4.401 -7.236 -0.240 1.00 0.00 N ATOM 903 CA PRO A 57 5.013 -6.290 -1.207 1.00 0.00 C ATOM 904 C PRO A 57 4.292 -4.937 -1.172 1.00 0.00 C ATOM 905 O PRO A 57 4.902 -3.896 -1.325 1.00 0.00 O ATOM 906 CB PRO A 57 4.810 -6.965 -2.556 1.00 0.00 C ATOM 907 CG PRO A 57 3.616 -7.841 -2.374 1.00 0.00 C ATOM 908 CD PRO A 57 3.549 -8.227 -0.918 1.00 0.00 C ATOM 0 HA PRO A 57 6.061 -6.085 -0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.644 -6.230 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.686 -7.547 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.708 -7.317 -2.673 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.693 -8.729 -3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.526 -8.194 -0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.914 -9.241 -0.758 1.00 0.00 H new ATOM 916 N TYR A 58 2.994 -4.948 -0.995 1.00 0.00 N ATOM 917 CA TYR A 58 2.221 -3.666 -0.974 1.00 0.00 C ATOM 918 C TYR A 58 2.327 -2.954 0.385 1.00 0.00 C ATOM 919 O TYR A 58 1.703 -1.929 0.591 1.00 0.00 O ATOM 920 CB TYR A 58 0.771 -4.078 -1.241 1.00 0.00 C ATOM 921 CG TYR A 58 0.481 -3.983 -2.720 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.007 -2.784 -3.264 1.00 0.00 C ATOM 923 CD2 TYR A 58 0.689 -5.094 -3.547 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.260 -2.695 -4.636 1.00 0.00 C ATOM 925 CE2 TYR A 58 0.421 -5.005 -4.918 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.053 -3.806 -5.462 1.00 0.00 C ATOM 927 OH TYR A 58 -0.317 -3.719 -6.815 1.00 0.00 O ATOM 0 H TYR A 58 2.435 -5.791 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 58 2.605 -2.962 -1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.602 -5.097 -0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.091 -3.433 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.153 -1.927 -2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.056 -6.019 -3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.625 -1.770 -5.056 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.580 -5.862 -5.556 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.119 -4.578 -7.243 1.00 0.00 H new ATOM 937 N GLU A 59 3.101 -3.474 1.310 1.00 0.00 N ATOM 938 CA GLU A 59 3.223 -2.802 2.641 1.00 0.00 C ATOM 939 C GLU A 59 4.496 -1.938 2.705 1.00 0.00 C ATOM 940 O GLU A 59 4.608 -1.056 3.536 1.00 0.00 O ATOM 941 CB GLU A 59 3.256 -3.946 3.670 1.00 0.00 C ATOM 942 CG GLU A 59 4.587 -4.713 3.591 1.00 0.00 C ATOM 943 CD GLU A 59 5.438 -4.406 4.827 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.020 -4.769 5.914 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.492 -3.814 4.665 1.00 0.00 O ATOM 0 H GLU A 59 3.649 -4.328 1.201 1.00 0.00 H new ATOM 0 HA GLU A 59 2.395 -2.120 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.123 -3.542 4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.426 -4.629 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.396 -5.784 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.127 -4.430 2.687 1.00 0.00 H new ATOM 952 N GLN A 60 5.449 -2.179 1.833 1.00 0.00 N ATOM 953 CA GLN A 60 6.703 -1.367 1.849 1.00 0.00 C ATOM 954 C GLN A 60 6.460 0.004 1.202 1.00 0.00 C ATOM 955 O GLN A 60 7.152 0.964 1.488 1.00 0.00 O ATOM 956 CB GLN A 60 7.732 -2.187 1.051 1.00 0.00 C ATOM 957 CG GLN A 60 7.312 -2.299 -0.422 1.00 0.00 C ATOM 958 CD GLN A 60 7.873 -3.591 -1.022 1.00 0.00 C ATOM 959 OE1 GLN A 60 8.788 -4.182 -0.482 1.00 0.00 O ATOM 960 NE2 GLN A 60 7.359 -4.058 -2.127 1.00 0.00 N ATOM 0 H GLN A 60 5.410 -2.902 1.114 1.00 0.00 H new ATOM 0 HA GLN A 60 7.054 -1.171 2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.712 -1.716 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.826 -3.183 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.225 -2.292 -0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.678 -1.438 -0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.591 -3.563 -2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.725 -4.918 -2.536 1.00 0.00 H new ATOM 969 N LYS A 61 5.475 0.102 0.340 1.00 0.00 N ATOM 970 CA LYS A 61 5.174 1.413 -0.320 1.00 0.00 C ATOM 971 C LYS A 61 4.833 2.460 0.743 1.00 0.00 C ATOM 972 O LYS A 61 5.242 3.603 0.657 1.00 0.00 O ATOM 973 CB LYS A 61 3.967 1.136 -1.224 1.00 0.00 C ATOM 974 CG LYS A 61 3.541 2.422 -1.937 1.00 0.00 C ATOM 975 CD LYS A 61 2.661 2.072 -3.139 1.00 0.00 C ATOM 976 CE LYS A 61 2.700 3.216 -4.153 1.00 0.00 C ATOM 977 NZ LYS A 61 1.957 2.703 -5.338 1.00 0.00 N ATOM 0 H LYS A 61 4.867 -0.669 0.065 1.00 0.00 H new ATOM 0 HA LYS A 61 6.019 1.801 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.220 0.370 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.139 0.748 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.995 3.068 -1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.420 2.976 -2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.011 1.150 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.636 1.896 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.232 4.115 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.725 3.479 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.940 3.432 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.429 1.851 -5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.982 2.467 -5.061 1.00 0.00 H new ATOM 991 N ALA A 62 4.096 2.069 1.751 1.00 0.00 N ATOM 992 CA ALA A 62 3.733 3.029 2.838 1.00 0.00 C ATOM 993 C ALA A 62 4.971 3.393 3.671 1.00 0.00 C ATOM 994 O ALA A 62 4.935 4.314 4.468 1.00 0.00 O ATOM 995 CB ALA A 62 2.707 2.293 3.698 1.00 0.00 C ATOM 0 H ALA A 62 3.729 1.125 1.869 1.00 0.00 H new ATOM 0 HA ALA A 62 3.336 3.963 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.392 2.937 4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.841 2.033 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.154 1.384 4.100 1.00 0.00 H new ATOM 1001 N ALA A 63 6.070 2.695 3.487 1.00 0.00 N ATOM 1002 CA ALA A 63 7.306 3.021 4.260 1.00 0.00 C ATOM 1003 C ALA A 63 8.131 4.092 3.527 1.00 0.00 C ATOM 1004 O ALA A 63 9.228 4.423 3.938 1.00 0.00 O ATOM 1005 CB ALA A 63 8.082 1.706 4.335 1.00 0.00 C ATOM 0 H ALA A 63 6.160 1.916 2.835 1.00 0.00 H new ATOM 0 HA ALA A 63 7.079 3.421 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.007 1.861 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.477 0.955 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.316 1.364 3.327 1.00 0.00 H new ATOM 1011 N LYS A 64 7.606 4.650 2.459 1.00 0.00 N ATOM 1012 CA LYS A 64 8.344 5.713 1.718 1.00 0.00 C ATOM 1013 C LYS A 64 7.700 7.066 2.013 1.00 0.00 C ATOM 1014 O LYS A 64 8.364 8.081 2.107 1.00 0.00 O ATOM 1015 CB LYS A 64 8.188 5.351 0.241 1.00 0.00 C ATOM 1016 CG LYS A 64 9.125 4.192 -0.105 1.00 0.00 C ATOM 1017 CD LYS A 64 10.576 4.676 -0.072 1.00 0.00 C ATOM 1018 CE LYS A 64 11.490 3.588 -0.639 1.00 0.00 C ATOM 1019 NZ LYS A 64 12.656 4.323 -1.206 1.00 0.00 N ATOM 0 H LYS A 64 6.694 4.410 2.071 1.00 0.00 H new ATOM 0 HA LYS A 64 9.394 5.779 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.155 5.072 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.417 6.216 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.987 3.376 0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.885 3.800 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.678 5.592 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.868 4.914 0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.803 2.890 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.981 3.004 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.329 3.644 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.328 4.975 -1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.125 4.864 -0.452 1.00 0.00 H new ATOM 1033 N LEU A 65 6.402 7.072 2.168 1.00 0.00 N ATOM 1034 CA LEU A 65 5.677 8.342 2.472 1.00 0.00 C ATOM 1035 C LEU A 65 5.825 8.716 3.956 1.00 0.00 C ATOM 1036 O LEU A 65 5.312 9.729 4.393 1.00 0.00 O ATOM 1037 CB LEU A 65 4.213 8.048 2.139 1.00 0.00 C ATOM 1038 CG LEU A 65 3.928 8.453 0.691 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.442 7.364 -0.253 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.419 8.623 0.499 1.00 0.00 C ATOM 0 H LEU A 65 5.808 6.246 2.097 1.00 0.00 H new ATOM 0 HA LEU A 65 6.071 9.182 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.003 6.988 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.558 8.595 2.817 1.00 0.00 H new ATOM 0 HG LEU A 65 4.432 9.394 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.239 7.652 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.516 7.240 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.937 6.423 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.214 8.912 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.916 7.682 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.051 9.397 1.173 1.00 0.00 H new ATOM 1052 N LYS A 66 6.529 7.921 4.731 1.00 0.00 N ATOM 1053 CA LYS A 66 6.716 8.247 6.174 1.00 0.00 C ATOM 1054 C LYS A 66 7.964 9.117 6.352 1.00 0.00 C ATOM 1055 O LYS A 66 8.067 9.885 7.291 1.00 0.00 O ATOM 1056 CB LYS A 66 6.897 6.896 6.867 1.00 0.00 C ATOM 1057 CG LYS A 66 6.887 7.095 8.385 1.00 0.00 C ATOM 1058 CD LYS A 66 6.929 5.733 9.078 1.00 0.00 C ATOM 1059 CE LYS A 66 7.352 5.915 10.537 1.00 0.00 C ATOM 1060 NZ LYS A 66 7.851 4.578 10.963 1.00 0.00 N ATOM 0 H LYS A 66 6.981 7.061 4.421 1.00 0.00 H new ATOM 0 HA LYS A 66 5.875 8.803 6.589 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.098 6.215 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.836 6.439 6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.744 7.696 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.992 7.640 8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.949 5.258 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.629 5.074 8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.128 6.674 10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.513 6.238 11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.160 4.623 11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.089 3.877 10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.653 4.300 10.363 1.00 0.00 H new ATOM 1074 N GLU A 67 8.908 9.007 5.448 1.00 0.00 N ATOM 1075 CA GLU A 67 10.149 9.833 5.548 1.00 0.00 C ATOM 1076 C GLU A 67 9.915 11.229 4.951 1.00 0.00 C ATOM 1077 O GLU A 67 10.682 12.145 5.186 1.00 0.00 O ATOM 1078 CB GLU A 67 11.197 9.073 4.734 1.00 0.00 C ATOM 1079 CG GLU A 67 11.965 8.120 5.653 1.00 0.00 C ATOM 1080 CD GLU A 67 12.820 7.174 4.808 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.614 7.667 4.024 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.666 5.973 4.959 1.00 0.00 O ATOM 0 H GLU A 67 8.871 8.379 4.645 1.00 0.00 H new ATOM 0 HA GLU A 67 10.461 9.981 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.715 8.513 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.886 9.774 4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.598 8.687 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.268 7.548 6.265 1.00 0.00 H new ATOM 1089 N LYS A 68 8.860 11.401 4.188 1.00 0.00 N ATOM 1090 CA LYS A 68 8.574 12.736 3.584 1.00 0.00 C ATOM 1091 C LYS A 68 7.476 13.447 4.381 1.00 0.00 C ATOM 1092 O LYS A 68 7.414 14.662 4.419 1.00 0.00 O ATOM 1093 CB LYS A 68 8.095 12.434 2.164 1.00 0.00 C ATOM 1094 CG LYS A 68 9.277 11.956 1.318 1.00 0.00 C ATOM 1095 CD LYS A 68 8.910 12.038 -0.165 1.00 0.00 C ATOM 1096 CE LYS A 68 8.984 13.495 -0.629 1.00 0.00 C ATOM 1097 NZ LYS A 68 9.146 13.417 -2.108 1.00 0.00 N ATOM 0 H LYS A 68 8.186 10.671 3.959 1.00 0.00 H new ATOM 0 HA LYS A 68 9.447 13.389 3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.317 11.671 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.654 13.326 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.155 12.570 1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.537 10.931 1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.590 11.423 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.906 11.645 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.081 14.042 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.823 14.015 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.205 14.378 -2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.017 12.896 -2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.330 12.923 -2.521 1.00 0.00 H new ATOM 1111 N TYR A 69 6.616 12.696 5.024 1.00 0.00 N ATOM 1112 CA TYR A 69 5.523 13.318 5.829 1.00 0.00 C ATOM 1113 C TYR A 69 6.087 13.821 7.161 1.00 0.00 C ATOM 1114 O TYR A 69 5.887 14.959 7.536 1.00 0.00 O ATOM 1115 CB TYR A 69 4.509 12.188 6.061 1.00 0.00 C ATOM 1116 CG TYR A 69 3.351 12.692 6.897 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.500 12.835 8.282 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.132 13.013 6.289 1.00 0.00 C ATOM 1119 CE1 TYR A 69 2.432 13.299 9.058 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.064 13.477 7.065 1.00 0.00 C ATOM 1121 CZ TYR A 69 1.214 13.621 8.449 1.00 0.00 C ATOM 1122 OH TYR A 69 0.161 14.079 9.214 1.00 0.00 O ATOM 0 H TYR A 69 6.625 11.676 5.025 1.00 0.00 H new ATOM 0 HA TYR A 69 5.067 14.172 5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.142 11.816 5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.994 11.351 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.440 12.587 8.752 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.016 12.903 5.221 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.548 13.409 10.126 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.123 13.724 6.596 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.610 14.257 8.636 1.00 0.00 H new ATOM 1132 N GLU A 70 6.787 12.976 7.873 1.00 0.00 N ATOM 1133 CA GLU A 70 7.366 13.389 9.192 1.00 0.00 C ATOM 1134 C GLU A 70 8.520 14.387 9.015 1.00 0.00 C ATOM 1135 O GLU A 70 9.024 14.923 9.985 1.00 0.00 O ATOM 1136 CB GLU A 70 7.875 12.095 9.827 1.00 0.00 C ATOM 1137 CG GLU A 70 6.688 11.277 10.343 1.00 0.00 C ATOM 1138 CD GLU A 70 7.194 10.161 11.257 1.00 0.00 C ATOM 1139 OE1 GLU A 70 7.615 10.469 12.360 1.00 0.00 O ATOM 1140 OE2 GLU A 70 7.153 9.015 10.839 1.00 0.00 O ATOM 0 H GLU A 70 6.985 12.014 7.599 1.00 0.00 H new ATOM 0 HA GLU A 70 6.622 13.892 9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.439 11.516 9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.556 12.323 10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.998 11.922 10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.134 10.852 9.506 1.00 0.00 H new ATOM 1147 N LYS A 71 8.945 14.646 7.801 1.00 0.00 N ATOM 1148 CA LYS A 71 10.063 15.613 7.589 1.00 0.00 C ATOM 1149 C LYS A 71 9.540 16.886 6.917 1.00 0.00 C ATOM 1150 O LYS A 71 10.027 17.973 7.166 1.00 0.00 O ATOM 1151 CB LYS A 71 11.046 14.887 6.671 1.00 0.00 C ATOM 1152 CG LYS A 71 11.952 13.980 7.506 1.00 0.00 C ATOM 1153 CD LYS A 71 13.170 13.571 6.676 1.00 0.00 C ATOM 1154 CE LYS A 71 13.872 12.388 7.345 1.00 0.00 C ATOM 1155 NZ LYS A 71 15.258 12.405 6.801 1.00 0.00 N ATOM 0 H LYS A 71 8.565 14.229 6.951 1.00 0.00 H new ATOM 0 HA LYS A 71 10.530 15.917 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.502 14.296 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.647 15.610 6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.272 14.500 8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.403 13.095 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.861 13.300 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.859 14.411 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.873 12.492 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.369 11.449 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.803 11.621 7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.226 12.298 5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.714 13.308 7.042 1.00 0.00 H new ATOM 1169 N ASP A 72 8.559 16.755 6.061 1.00 0.00 N ATOM 1170 CA ASP A 72 8.004 17.949 5.357 1.00 0.00 C ATOM 1171 C ASP A 72 6.898 18.607 6.189 1.00 0.00 C ATOM 1172 O ASP A 72 6.688 19.803 6.113 1.00 0.00 O ATOM 1173 CB ASP A 72 7.435 17.406 4.047 1.00 0.00 C ATOM 1174 CG ASP A 72 7.059 18.571 3.130 1.00 0.00 C ATOM 1175 OD1 ASP A 72 6.099 19.258 3.441 1.00 0.00 O ATOM 1176 OD2 ASP A 72 7.737 18.757 2.134 1.00 0.00 O ATOM 0 H ASP A 72 8.117 15.868 5.819 1.00 0.00 H new ATOM 0 HA ASP A 72 8.764 18.713 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.169 16.766 3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.559 16.790 4.247 1.00 0.00 H new ATOM 1181 N ILE A 73 6.188 17.838 6.977 1.00 0.00 N ATOM 1182 CA ILE A 73 5.090 18.428 7.807 1.00 0.00 C ATOM 1183 C ILE A 73 5.671 19.368 8.876 1.00 0.00 C ATOM 1184 O ILE A 73 5.001 20.264 9.354 1.00 0.00 O ATOM 1185 CB ILE A 73 4.357 17.224 8.436 1.00 0.00 C ATOM 1186 CG1 ILE A 73 3.004 17.689 8.977 1.00 0.00 C ATOM 1187 CG2 ILE A 73 5.178 16.609 9.579 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.956 17.609 7.864 1.00 0.00 C ATOM 0 H ILE A 73 6.319 16.832 7.082 1.00 0.00 H new ATOM 0 HA ILE A 73 4.404 19.035 7.216 1.00 0.00 H new ATOM 0 HB ILE A 73 4.218 16.463 7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.704 17.066 9.820 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.080 18.711 9.347 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.636 15.763 10.002 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.139 16.268 9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.342 17.359 10.353 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.991 17.940 8.248 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.256 18.250 7.035 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.874 16.580 7.515 1.00 0.00 H new