USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 576 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 12 TYR OH : rot 180:sc= 0.214 USER MOD Single : A 14 CYS SG : rot 12:sc= 0.454 USER MOD Single : A 18 TYR OH : rot 30:sc= -1.43! USER MOD Single : A 22 MET CE :methyl -138:sc= -3.96! (180deg=-9.4!) USER MOD Single : A 23 THR OG1 : rot 58:sc= -2.58! USER MOD Single : A 24 THR OG1 : rot 79:sc= -1.13 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00249 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.469 USER MOD Single : A 58 ASN : amide:sc= -0.949 K(o=-0.95,f=-5.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -155:sc= -0.87 (180deg=-2.35!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.18) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0389 X(o=-0.039,f=-0.25) USER MOD Single : A 74 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.065) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -65:sc= 1.21 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.4) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 178 N TYR A 12 -14.495 -8.644 -7.931 1.00 0.00 N ATOM 179 CA TYR A 12 -13.312 -8.291 -8.710 1.00 0.00 C ATOM 180 C TYR A 12 -12.054 -8.904 -8.103 1.00 0.00 C ATOM 181 O TYR A 12 -11.393 -8.291 -7.266 1.00 0.00 O ATOM 182 CB TYR A 12 -13.159 -6.768 -8.796 1.00 0.00 C ATOM 183 CG TYR A 12 -13.667 -6.025 -7.580 1.00 0.00 C ATOM 184 CD1 TYR A 12 -12.909 -5.949 -6.417 1.00 0.00 C ATOM 185 CD2 TYR A 12 -14.906 -5.395 -7.596 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.370 -5.267 -5.307 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.373 -4.712 -6.490 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.602 -4.652 -5.348 1.00 0.00 C ATOM 189 OH TYR A 12 -15.065 -3.972 -4.245 1.00 0.00 O ATOM 0 HA TYR A 12 -13.443 -8.692 -9.715 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.106 -6.527 -8.941 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.692 -6.409 -9.676 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.943 -6.431 -6.380 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.513 -5.440 -8.488 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.768 -5.216 -4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.338 -4.227 -6.519 1.00 0.00 H new ATOM 0 HH TYR A 12 -15.949 -3.596 -4.440 1.00 0.00 H new ATOM 199 N PRO A 13 -11.703 -10.132 -8.517 1.00 0.00 N ATOM 200 CA PRO A 13 -10.528 -10.830 -8.015 1.00 0.00 C ATOM 201 C PRO A 13 -9.285 -10.561 -8.860 1.00 0.00 C ATOM 202 O PRO A 13 -8.778 -11.455 -9.537 1.00 0.00 O ATOM 203 CB PRO A 13 -10.955 -12.286 -8.130 1.00 0.00 C ATOM 204 CG PRO A 13 -11.806 -12.326 -9.358 1.00 0.00 C ATOM 205 CD PRO A 13 -12.431 -10.954 -9.501 1.00 0.00 C ATOM 0 HA PRO A 13 -10.245 -10.519 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.093 -12.947 -8.222 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.512 -12.608 -7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.208 -12.572 -10.235 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.575 -13.094 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.314 -10.565 -10.512 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.500 -10.977 -9.290 1.00 0.00 H new ATOM 213 N CYS A 14 -8.799 -9.324 -8.814 1.00 0.00 N ATOM 214 CA CYS A 14 -7.615 -8.942 -9.576 1.00 0.00 C ATOM 215 C CYS A 14 -6.831 -7.851 -8.854 1.00 0.00 C ATOM 216 O CYS A 14 -7.274 -7.324 -7.834 1.00 0.00 O ATOM 217 CB CYS A 14 -8.016 -8.460 -10.971 1.00 0.00 C ATOM 218 SG CYS A 14 -8.643 -9.768 -12.052 1.00 0.00 S ATOM 0 H CYS A 14 -9.206 -8.571 -8.259 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.976 -9.820 -9.671 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.779 -7.688 -10.872 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.152 -7.994 -11.445 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.879 -10.836 -11.349 1.00 0.00 H new ATOM 224 N LEU A 15 -5.664 -7.514 -9.394 1.00 0.00 N ATOM 225 CA LEU A 15 -4.816 -6.484 -8.802 1.00 0.00 C ATOM 226 C LEU A 15 -5.436 -5.102 -8.988 1.00 0.00 C ATOM 227 O LEU A 15 -5.576 -4.620 -10.111 1.00 0.00 O ATOM 228 CB LEU A 15 -3.419 -6.523 -9.427 1.00 0.00 C ATOM 229 CG LEU A 15 -2.309 -7.013 -8.495 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.156 -7.594 -9.297 1.00 0.00 C ATOM 231 CD2 LEU A 15 -1.824 -5.878 -7.603 1.00 0.00 C ATOM 0 H LEU A 15 -5.284 -7.939 -10.240 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.731 -6.683 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.448 -7.169 -10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.165 -5.522 -9.776 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.714 -7.801 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.376 -7.937 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.514 -8.434 -9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.750 -6.828 -9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.035 -6.243 -6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.436 -5.069 -8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.654 -5.508 -7.001 1.00 0.00 H new ATOM 243 N TRP A 16 -5.806 -4.472 -7.878 1.00 0.00 N ATOM 244 CA TRP A 16 -6.411 -3.146 -7.917 1.00 0.00 C ATOM 245 C TRP A 16 -5.469 -2.099 -7.332 1.00 0.00 C ATOM 246 O TRP A 16 -4.982 -2.244 -6.210 1.00 0.00 O ATOM 247 CB TRP A 16 -7.733 -3.146 -7.149 1.00 0.00 C ATOM 248 CG TRP A 16 -8.611 -1.975 -7.475 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.491 -0.703 -6.996 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.744 -1.970 -8.351 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.480 0.094 -7.520 1.00 0.00 N ATOM 252 CE2 TRP A 16 -10.262 -0.661 -8.355 1.00 0.00 C ATOM 253 CE3 TRP A 16 -10.369 -2.945 -9.133 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -11.375 -0.303 -9.111 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -11.475 -2.588 -9.882 1.00 0.00 C ATOM 256 CH2 TRP A 16 -11.968 -1.277 -9.867 1.00 0.00 C ATOM 0 H TRP A 16 -5.697 -4.859 -6.940 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.603 -2.891 -8.959 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.272 -4.067 -7.369 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.523 -3.147 -6.079 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.730 -0.371 -6.306 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.611 1.086 -7.320 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -9.995 -3.958 -9.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.757 0.707 -9.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -11.967 -3.333 -10.489 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -12.833 -1.030 -10.464 1.00 0.00 H new ATOM 267 N ASP A 17 -5.220 -1.041 -8.099 1.00 0.00 N ATOM 268 CA ASP A 17 -4.338 0.032 -7.657 1.00 0.00 C ATOM 269 C ASP A 17 -5.098 1.027 -6.785 1.00 0.00 C ATOM 270 O ASP A 17 -6.301 1.225 -6.958 1.00 0.00 O ATOM 271 CB ASP A 17 -3.730 0.752 -8.862 1.00 0.00 C ATOM 272 CG ASP A 17 -4.784 1.243 -9.835 1.00 0.00 C ATOM 273 OD1 ASP A 17 -5.954 1.384 -9.420 1.00 0.00 O ATOM 274 OD2 ASP A 17 -4.441 1.485 -11.011 1.00 0.00 O ATOM 0 H ASP A 17 -5.617 -0.905 -9.029 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.535 -0.408 -7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.138 1.599 -8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.048 0.077 -9.379 1.00 0.00 H new ATOM 279 N TYR A 18 -4.393 1.649 -5.845 1.00 0.00 N ATOM 280 CA TYR A 18 -5.011 2.619 -4.949 1.00 0.00 C ATOM 281 C TYR A 18 -4.194 3.906 -4.887 1.00 0.00 C ATOM 282 O TYR A 18 -3.181 3.977 -4.193 1.00 0.00 O ATOM 283 CB TYR A 18 -5.158 2.026 -3.547 1.00 0.00 C ATOM 284 CG TYR A 18 -6.009 0.778 -3.503 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.393 0.853 -3.601 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.429 -0.478 -3.368 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.174 -0.286 -3.563 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.204 -1.622 -3.329 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.575 -1.520 -3.428 1.00 0.00 C ATOM 290 OH TYR A 18 -8.350 -2.656 -3.389 1.00 0.00 O ATOM 0 H TYR A 18 -3.397 1.499 -5.685 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.999 2.859 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.168 1.794 -3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.595 2.777 -2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.866 1.818 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.355 -0.561 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.249 -0.210 -3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.738 -2.590 -3.222 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.164 -2.515 -3.916 1.00 0.00 H new ATOM 300 N ARG A 19 -4.646 4.922 -5.615 1.00 0.00 N ATOM 301 CA ARG A 19 -3.961 6.209 -5.638 1.00 0.00 C ATOM 302 C ARG A 19 -4.195 6.960 -4.332 1.00 0.00 C ATOM 303 O ARG A 19 -5.256 7.548 -4.124 1.00 0.00 O ATOM 304 CB ARG A 19 -4.445 7.049 -6.821 1.00 0.00 C ATOM 305 CG ARG A 19 -3.387 7.990 -7.373 1.00 0.00 C ATOM 306 CD ARG A 19 -3.778 9.448 -7.183 1.00 0.00 C ATOM 307 NE ARG A 19 -4.704 9.904 -8.217 1.00 0.00 N ATOM 308 CZ ARG A 19 -4.952 11.185 -8.476 1.00 0.00 C ATOM 309 NH1 ARG A 19 -4.347 12.139 -7.780 1.00 0.00 N ATOM 310 NH2 ARG A 19 -5.810 11.514 -9.434 1.00 0.00 N ATOM 0 H ARG A 19 -5.483 4.879 -6.196 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.892 6.028 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.777 6.383 -7.617 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.312 7.632 -6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.436 7.800 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.238 7.788 -8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.237 9.576 -6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.882 10.069 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.189 9.199 -8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.688 11.892 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.541 13.120 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.279 10.785 -9.971 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.000 12.496 -9.633 1.00 0.00 H new ATOM 324 N VAL A 20 -3.200 6.931 -3.453 1.00 0.00 N ATOM 325 CA VAL A 20 -3.301 7.604 -2.162 1.00 0.00 C ATOM 326 C VAL A 20 -2.280 8.728 -2.037 1.00 0.00 C ATOM 327 O VAL A 20 -1.075 8.498 -2.147 1.00 0.00 O ATOM 328 CB VAL A 20 -3.093 6.615 -1.000 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.418 7.277 0.330 1.00 0.00 C ATOM 330 CG2 VAL A 20 -3.937 5.366 -1.203 1.00 0.00 C ATOM 0 H VAL A 20 -2.315 6.449 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.305 8.024 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.044 6.318 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.265 6.563 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.765 8.137 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.457 7.606 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.776 4.679 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.991 5.642 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.650 4.880 -2.136 1.00 0.00 H new ATOM 340 N ILE A 21 -2.767 9.941 -1.801 1.00 0.00 N ATOM 341 CA ILE A 21 -1.892 11.099 -1.653 1.00 0.00 C ATOM 342 C ILE A 21 -1.866 11.578 -0.207 1.00 0.00 C ATOM 343 O ILE A 21 -2.910 11.716 0.429 1.00 0.00 O ATOM 344 CB ILE A 21 -2.329 12.273 -2.555 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.883 11.778 -3.899 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.163 13.225 -2.776 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.078 10.665 -4.542 1.00 0.00 C ATOM 0 H ILE A 21 -3.761 10.148 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.896 10.776 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.132 12.806 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.905 11.430 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.931 12.620 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.482 14.049 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.827 13.618 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.343 12.691 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.542 10.379 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.062 11.012 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.051 9.803 -3.875 1.00 0.00 H new ATOM 359 N MET A 22 -0.668 11.830 0.309 1.00 0.00 N ATOM 360 CA MET A 22 -0.513 12.292 1.681 1.00 0.00 C ATOM 361 C MET A 22 0.044 13.708 1.717 1.00 0.00 C ATOM 362 O MET A 22 0.884 14.078 0.897 1.00 0.00 O ATOM 363 CB MET A 22 0.410 11.356 2.465 1.00 0.00 C ATOM 364 CG MET A 22 0.485 9.944 1.903 1.00 0.00 C ATOM 365 SD MET A 22 1.850 9.730 0.744 1.00 0.00 S ATOM 366 CE MET A 22 3.203 9.406 1.871 1.00 0.00 C ATOM 0 H MET A 22 0.208 11.722 -0.202 1.00 0.00 H new ATOM 0 HA MET A 22 -1.499 12.290 2.146 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.413 11.783 2.482 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.067 11.307 3.498 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.596 9.236 2.724 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.453 9.706 1.402 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.089 9.948 1.541 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.928 9.735 2.873 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.416 8.337 1.886 1.00 0.00 H new ATOM 376 N THR A 23 -0.425 14.494 2.677 1.00 0.00 N ATOM 377 CA THR A 23 0.032 15.869 2.825 1.00 0.00 C ATOM 378 C THR A 23 0.632 16.089 4.210 1.00 0.00 C ATOM 379 O THR A 23 0.062 16.794 5.043 1.00 0.00 O ATOM 380 CB THR A 23 -1.123 16.843 2.589 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.003 16.860 3.699 1.00 0.00 O ATOM 382 CG2 THR A 23 -1.943 16.512 1.361 1.00 0.00 C ATOM 0 H THR A 23 -1.121 14.203 3.364 1.00 0.00 H new ATOM 0 HA THR A 23 0.805 16.055 2.079 1.00 0.00 H new ATOM 0 HB THR A 23 -0.653 17.816 2.443 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.507 17.109 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.745 17.242 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.304 16.541 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.371 15.515 1.467 1.00 0.00 H new ATOM 390 N THR A 24 1.788 15.479 4.447 1.00 0.00 N ATOM 391 CA THR A 24 2.469 15.608 5.730 1.00 0.00 C ATOM 392 C THR A 24 3.982 15.520 5.556 1.00 0.00 C ATOM 393 O THR A 24 4.477 14.812 4.680 1.00 0.00 O ATOM 394 CB THR A 24 1.992 14.521 6.695 1.00 0.00 C ATOM 395 OG1 THR A 24 0.665 14.129 6.391 1.00 0.00 O ATOM 396 CG2 THR A 24 2.022 14.955 8.145 1.00 0.00 C ATOM 0 H THR A 24 2.273 14.891 3.769 1.00 0.00 H new ATOM 0 HA THR A 24 2.226 16.586 6.145 1.00 0.00 H new ATOM 0 HB THR A 24 2.688 13.692 6.566 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.672 13.518 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.672 14.138 8.777 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.042 15.218 8.425 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.374 15.821 8.279 1.00 0.00 H new ATOM 404 N LYS A 25 4.711 16.247 6.398 1.00 0.00 N ATOM 405 CA LYS A 25 6.169 16.252 6.337 1.00 0.00 C ATOM 406 C LYS A 25 6.765 15.102 7.151 1.00 0.00 C ATOM 407 O LYS A 25 7.986 14.979 7.259 1.00 0.00 O ATOM 408 CB LYS A 25 6.714 17.587 6.848 1.00 0.00 C ATOM 409 CG LYS A 25 6.434 17.836 8.322 1.00 0.00 C ATOM 410 CD LYS A 25 7.069 19.134 8.800 1.00 0.00 C ATOM 411 CE LYS A 25 7.856 18.930 10.084 1.00 0.00 C ATOM 412 NZ LYS A 25 8.883 19.991 10.281 1.00 0.00 N ATOM 0 H LYS A 25 4.317 16.839 7.129 1.00 0.00 H new ATOM 0 HA LYS A 25 6.460 16.117 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.791 17.618 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.277 18.396 6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.357 17.874 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.818 17.003 8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.729 19.524 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.293 19.882 8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.172 18.925 10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.342 17.954 10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.398 19.816 11.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.551 19.979 9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.418 20.920 10.329 1.00 0.00 H new ATOM 426 N ASP A 26 5.904 14.262 7.720 1.00 0.00 N ATOM 427 CA ASP A 26 6.357 13.129 8.517 1.00 0.00 C ATOM 428 C ASP A 26 6.112 11.816 7.782 1.00 0.00 C ATOM 429 O ASP A 26 5.736 10.813 8.388 1.00 0.00 O ATOM 430 CB ASP A 26 5.643 13.112 9.869 1.00 0.00 C ATOM 431 CG ASP A 26 6.539 12.625 10.991 1.00 0.00 C ATOM 432 OD1 ASP A 26 7.278 13.453 11.565 1.00 0.00 O ATOM 433 OD2 ASP A 26 6.503 11.414 11.295 1.00 0.00 O ATOM 0 H ASP A 26 4.890 14.346 7.643 1.00 0.00 H new ATOM 0 HA ASP A 26 7.429 13.237 8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.288 14.116 10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.765 12.470 9.805 1.00 0.00 H new ATOM 438 N THR A 27 6.325 11.830 6.470 1.00 0.00 N ATOM 439 CA THR A 27 6.126 10.642 5.649 1.00 0.00 C ATOM 440 C THR A 27 7.273 9.645 5.823 1.00 0.00 C ATOM 441 O THR A 27 7.221 8.533 5.296 1.00 0.00 O ATOM 442 CB THR A 27 5.998 11.032 4.175 1.00 0.00 C ATOM 443 OG1 THR A 27 7.134 11.761 3.748 1.00 0.00 O ATOM 444 CG2 THR A 27 4.777 11.879 3.887 1.00 0.00 C ATOM 0 H THR A 27 6.636 12.652 5.953 1.00 0.00 H new ATOM 0 HA THR A 27 5.204 10.162 5.978 1.00 0.00 H new ATOM 0 HB THR A 27 5.907 10.090 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.033 11.999 2.803 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.745 12.121 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.878 11.326 4.161 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.828 12.800 4.468 1.00 0.00 H new ATOM 452 N SER A 28 8.307 10.044 6.561 1.00 0.00 N ATOM 453 CA SER A 28 9.459 9.179 6.797 1.00 0.00 C ATOM 454 C SER A 28 9.028 7.849 7.409 1.00 0.00 C ATOM 455 O SER A 28 9.498 6.787 7.002 1.00 0.00 O ATOM 456 CB SER A 28 10.464 9.873 7.716 1.00 0.00 C ATOM 457 OG SER A 28 9.835 10.344 8.897 1.00 0.00 O ATOM 0 H SER A 28 8.370 10.960 7.005 1.00 0.00 H new ATOM 0 HA SER A 28 9.932 8.979 5.836 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.262 9.178 7.978 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.927 10.707 7.189 1.00 0.00 H new ATOM 0 HG SER A 28 10.499 10.782 9.469 1.00 0.00 H new ATOM 463 N THR A 29 8.130 7.915 8.386 1.00 0.00 N ATOM 464 CA THR A 29 7.635 6.717 9.053 1.00 0.00 C ATOM 465 C THR A 29 6.764 5.892 8.111 1.00 0.00 C ATOM 466 O THR A 29 6.750 4.664 8.178 1.00 0.00 O ATOM 467 CB THR A 29 6.838 7.097 10.303 1.00 0.00 C ATOM 468 OG1 THR A 29 6.480 5.941 11.039 1.00 0.00 O ATOM 469 CG2 THR A 29 5.565 7.857 9.995 1.00 0.00 C ATOM 0 H THR A 29 7.730 8.786 8.734 1.00 0.00 H new ATOM 0 HA THR A 29 8.493 6.113 9.348 1.00 0.00 H new ATOM 0 HB THR A 29 7.498 7.745 10.880 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.973 6.204 11.835 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.049 8.095 10.925 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.810 8.780 9.470 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.918 7.244 9.368 1.00 0.00 H new ATOM 477 N LEU A 30 6.036 6.578 7.237 1.00 0.00 N ATOM 478 CA LEU A 30 5.158 5.913 6.282 1.00 0.00 C ATOM 479 C LEU A 30 5.956 5.336 5.117 1.00 0.00 C ATOM 480 O LEU A 30 5.582 4.317 4.541 1.00 0.00 O ATOM 481 CB LEU A 30 4.100 6.893 5.768 1.00 0.00 C ATOM 482 CG LEU A 30 3.256 6.391 4.596 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.538 5.102 4.968 1.00 0.00 C ATOM 484 CD2 LEU A 30 2.256 7.453 4.167 1.00 0.00 C ATOM 0 H LEU A 30 6.037 7.596 7.170 1.00 0.00 H new ATOM 0 HA LEU A 30 4.659 5.089 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.433 7.146 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.598 7.814 5.467 1.00 0.00 H new ATOM 0 HG LEU A 30 3.921 6.184 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.942 4.760 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.272 4.339 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.885 5.283 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.664 7.079 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.597 7.690 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.790 8.352 3.859 1.00 0.00 H new ATOM 496 N LYS A 31 7.059 5.992 4.778 1.00 0.00 N ATOM 497 CA LYS A 31 7.907 5.540 3.682 1.00 0.00 C ATOM 498 C LYS A 31 8.663 4.269 4.062 1.00 0.00 C ATOM 499 O LYS A 31 9.111 3.519 3.194 1.00 0.00 O ATOM 500 CB LYS A 31 8.897 6.637 3.290 1.00 0.00 C ATOM 501 CG LYS A 31 8.240 7.851 2.655 1.00 0.00 C ATOM 502 CD LYS A 31 9.076 9.106 2.852 1.00 0.00 C ATOM 503 CE LYS A 31 10.376 9.038 2.065 1.00 0.00 C ATOM 504 NZ LYS A 31 11.177 10.285 2.212 1.00 0.00 N ATOM 0 H LYS A 31 7.387 6.837 5.245 1.00 0.00 H new ATOM 0 HA LYS A 31 7.265 5.317 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.446 6.954 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.627 6.224 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.096 7.672 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.251 8.000 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.504 9.979 2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.297 9.235 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.964 8.186 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.155 8.870 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.055 10.200 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.626 11.095 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.410 10.432 3.215 1.00 0.00 H new ATOM 518 N GLU A 32 8.808 4.034 5.364 1.00 0.00 N ATOM 519 CA GLU A 32 9.518 2.856 5.852 1.00 0.00 C ATOM 520 C GLU A 32 8.569 1.676 6.048 1.00 0.00 C ATOM 521 O GLU A 32 8.977 0.520 5.940 1.00 0.00 O ATOM 522 CB GLU A 32 10.229 3.175 7.169 1.00 0.00 C ATOM 523 CG GLU A 32 9.284 3.572 8.291 1.00 0.00 C ATOM 524 CD GLU A 32 9.918 3.433 9.662 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.569 2.397 9.914 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.761 4.360 10.484 1.00 0.00 O ATOM 0 H GLU A 32 8.444 4.642 6.098 1.00 0.00 H new ATOM 0 HA GLU A 32 10.257 2.577 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.805 2.304 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.940 3.984 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.965 4.604 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.389 2.952 8.244 1.00 0.00 H new ATOM 533 N LEU A 33 7.309 1.971 6.341 1.00 0.00 N ATOM 534 CA LEU A 33 6.315 0.924 6.557 1.00 0.00 C ATOM 535 C LEU A 33 5.735 0.421 5.235 1.00 0.00 C ATOM 536 O LEU A 33 5.197 -0.685 5.167 1.00 0.00 O ATOM 537 CB LEU A 33 5.191 1.428 7.472 1.00 0.00 C ATOM 538 CG LEU A 33 4.203 2.409 6.836 1.00 0.00 C ATOM 539 CD1 LEU A 33 3.174 1.667 5.999 1.00 0.00 C ATOM 540 CD2 LEU A 33 3.518 3.236 7.912 1.00 0.00 C ATOM 0 H LEU A 33 6.951 2.921 6.435 1.00 0.00 H new ATOM 0 HA LEU A 33 6.818 0.088 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.633 0.566 7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.643 1.908 8.340 1.00 0.00 H new ATOM 0 HG LEU A 33 4.756 3.080 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.481 2.382 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.679 1.113 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.622 0.972 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.818 3.930 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.978 2.575 8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.267 3.797 8.472 1.00 0.00 H new ATOM 552 N LEU A 34 5.850 1.231 4.185 1.00 0.00 N ATOM 553 CA LEU A 34 5.336 0.852 2.873 1.00 0.00 C ATOM 554 C LEU A 34 6.346 -0.007 2.120 1.00 0.00 C ATOM 555 O LEU A 34 5.971 -0.889 1.348 1.00 0.00 O ATOM 556 CB LEU A 34 4.998 2.099 2.052 1.00 0.00 C ATOM 557 CG LEU A 34 3.880 2.970 2.624 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.954 4.375 2.046 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.523 2.346 2.340 1.00 0.00 C ATOM 0 H LEU A 34 6.292 2.149 4.217 1.00 0.00 H new ATOM 0 HA LEU A 34 4.428 0.268 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.898 2.707 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.716 1.787 1.046 1.00 0.00 H new ATOM 0 HG LEU A 34 4.009 3.035 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.151 4.983 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.916 4.822 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.848 4.329 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.738 2.979 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.384 2.253 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.473 1.359 2.799 1.00 0.00 H new ATOM 571 N GLU A 35 7.627 0.258 2.348 1.00 0.00 N ATOM 572 CA GLU A 35 8.695 -0.489 1.691 1.00 0.00 C ATOM 573 C GLU A 35 9.012 -1.785 2.436 1.00 0.00 C ATOM 574 O GLU A 35 9.825 -2.588 1.977 1.00 0.00 O ATOM 575 CB GLU A 35 9.956 0.373 1.588 1.00 0.00 C ATOM 576 CG GLU A 35 9.810 1.554 0.642 1.00 0.00 C ATOM 577 CD GLU A 35 11.131 1.977 0.031 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.922 1.088 -0.348 1.00 0.00 O ATOM 579 OE2 GLU A 35 11.374 3.197 -0.071 1.00 0.00 O ATOM 0 H GLU A 35 7.953 0.986 2.984 1.00 0.00 H new ATOM 0 HA GLU A 35 8.351 -0.750 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.215 0.743 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.785 -0.250 1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.112 1.293 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.377 2.396 1.182 1.00 0.00 H new ATOM 586 N THR A 36 8.369 -1.988 3.585 1.00 0.00 N ATOM 587 CA THR A 36 8.591 -3.189 4.384 1.00 0.00 C ATOM 588 C THR A 36 8.401 -4.452 3.548 1.00 0.00 C ATOM 589 O THR A 36 9.083 -5.456 3.758 1.00 0.00 O ATOM 590 CB THR A 36 7.642 -3.212 5.584 1.00 0.00 C ATOM 591 OG1 THR A 36 7.891 -4.342 6.400 1.00 0.00 O ATOM 592 CG2 THR A 36 6.182 -3.244 5.189 1.00 0.00 C ATOM 0 H THR A 36 7.692 -1.337 3.982 1.00 0.00 H new ATOM 0 HA THR A 36 9.621 -3.167 4.741 1.00 0.00 H new ATOM 0 HB THR A 36 7.837 -2.286 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.275 -4.337 7.162 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.563 -3.259 6.086 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.945 -2.358 4.599 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.985 -4.138 4.597 1.00 0.00 H new ATOM 600 N TYR A 37 7.471 -4.394 2.599 1.00 0.00 N ATOM 601 CA TYR A 37 7.194 -5.533 1.731 1.00 0.00 C ATOM 602 C TYR A 37 6.794 -6.758 2.550 1.00 0.00 C ATOM 603 O TYR A 37 7.293 -7.859 2.325 1.00 0.00 O ATOM 604 CB TYR A 37 8.419 -5.853 0.873 1.00 0.00 C ATOM 605 CG TYR A 37 8.855 -4.710 -0.015 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.929 -3.991 -0.761 1.00 0.00 C ATOM 607 CD2 TYR A 37 10.193 -4.347 -0.105 1.00 0.00 C ATOM 608 CE1 TYR A 37 8.325 -2.945 -1.573 1.00 0.00 C ATOM 609 CE2 TYR A 37 10.596 -3.303 -0.915 1.00 0.00 C ATOM 610 CZ TYR A 37 9.659 -2.604 -1.646 1.00 0.00 C ATOM 611 OH TYR A 37 10.057 -1.564 -2.452 1.00 0.00 O ATOM 0 H TYR A 37 6.898 -3.571 2.412 1.00 0.00 H new ATOM 0 HA TYR A 37 6.361 -5.269 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.247 -6.130 1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.199 -6.721 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.883 -4.254 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.930 -4.890 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.593 -2.397 -2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.641 -3.035 -0.975 1.00 0.00 H new ATOM 0 HH TYR A 37 11.029 -1.454 -2.388 1.00 0.00 H new ATOM 621 N GLN A 38 5.891 -6.555 3.503 1.00 0.00 N ATOM 622 CA GLN A 38 5.423 -7.640 4.358 1.00 0.00 C ATOM 623 C GLN A 38 4.575 -8.632 3.569 1.00 0.00 C ATOM 624 O GLN A 38 4.685 -9.845 3.754 1.00 0.00 O ATOM 625 CB GLN A 38 4.615 -7.082 5.530 1.00 0.00 C ATOM 626 CG GLN A 38 5.473 -6.625 6.699 1.00 0.00 C ATOM 627 CD GLN A 38 4.950 -7.119 8.034 1.00 0.00 C ATOM 628 OE1 GLN A 38 3.767 -6.974 8.343 1.00 0.00 O ATOM 629 NE2 GLN A 38 5.833 -7.703 8.835 1.00 0.00 N ATOM 0 H GLN A 38 5.468 -5.649 3.703 1.00 0.00 H new ATOM 0 HA GLN A 38 6.297 -8.165 4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.016 -6.242 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.920 -7.846 5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.493 -6.982 6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.515 -5.536 6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.804 -7.802 8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.541 -8.053 9.747 1.00 0.00 H new ATOM 638 N ARG A 39 3.728 -8.110 2.687 1.00 0.00 N ATOM 639 CA ARG A 39 2.859 -8.951 1.868 1.00 0.00 C ATOM 640 C ARG A 39 3.023 -8.617 0.386 1.00 0.00 C ATOM 641 O ARG A 39 3.655 -7.621 0.033 1.00 0.00 O ATOM 642 CB ARG A 39 1.390 -8.785 2.283 1.00 0.00 C ATOM 643 CG ARG A 39 1.136 -7.616 3.225 1.00 0.00 C ATOM 644 CD ARG A 39 -0.319 -7.179 3.192 1.00 0.00 C ATOM 645 NE ARG A 39 -1.077 -7.719 4.318 1.00 0.00 N ATOM 646 CZ ARG A 39 -0.846 -7.400 5.590 1.00 0.00 C ATOM 647 NH1 ARG A 39 0.119 -6.543 5.901 1.00 0.00 N ATOM 648 NH2 ARG A 39 -1.581 -7.938 6.553 1.00 0.00 N ATOM 0 H ARG A 39 3.624 -7.109 2.521 1.00 0.00 H new ATOM 0 HA ARG A 39 3.152 -9.989 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.784 -8.653 1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.054 -9.704 2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.408 -7.901 4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.775 -6.778 2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.371 -6.090 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.775 -7.506 2.258 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.828 -8.380 4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.687 -6.126 5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.292 -6.302 6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.324 -8.597 6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.404 -7.693 7.527 1.00 0.00 H new ATOM 662 N PRO A 40 2.457 -9.453 -0.502 1.00 0.00 N ATOM 663 CA PRO A 40 2.545 -9.250 -1.953 1.00 0.00 C ATOM 664 C PRO A 40 1.851 -7.968 -2.405 1.00 0.00 C ATOM 665 O PRO A 40 0.785 -8.009 -3.019 1.00 0.00 O ATOM 666 CB PRO A 40 1.835 -10.480 -2.540 1.00 0.00 C ATOM 667 CG PRO A 40 1.777 -11.470 -1.427 1.00 0.00 C ATOM 668 CD PRO A 40 1.695 -10.665 -0.164 1.00 0.00 C ATOM 0 HA PRO A 40 3.579 -9.145 -2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.835 -10.226 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.382 -10.880 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.911 -12.124 -1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.660 -12.109 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.664 -10.434 0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.132 -11.195 0.683 1.00 0.00 H new ATOM 676 N PHE A 41 2.464 -6.829 -2.103 1.00 0.00 N ATOM 677 CA PHE A 41 1.906 -5.537 -2.482 1.00 0.00 C ATOM 678 C PHE A 41 3.004 -4.584 -2.948 1.00 0.00 C ATOM 679 O PHE A 41 4.100 -4.566 -2.388 1.00 0.00 O ATOM 680 CB PHE A 41 1.132 -4.924 -1.310 1.00 0.00 C ATOM 681 CG PHE A 41 2.009 -4.425 -0.195 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.679 -3.218 -0.311 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.158 -5.161 0.969 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.484 -2.756 0.712 1.00 0.00 C ATOM 685 CE2 PHE A 41 2.961 -4.704 1.997 1.00 0.00 C ATOM 686 CZ PHE A 41 3.624 -3.499 1.868 1.00 0.00 C ATOM 0 H PHE A 41 3.348 -6.774 -1.597 1.00 0.00 H new ATOM 0 HA PHE A 41 1.217 -5.696 -3.312 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.526 -4.097 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.444 -5.670 -0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.571 -2.632 -1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.641 -6.103 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.003 -1.815 0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.070 -5.288 2.899 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.251 -3.138 2.670 1.00 0.00 H new ATOM 696 N LYS A 42 2.702 -3.795 -3.974 1.00 0.00 N ATOM 697 CA LYS A 42 3.666 -2.840 -4.512 1.00 0.00 C ATOM 698 C LYS A 42 3.080 -1.433 -4.533 1.00 0.00 C ATOM 699 O LYS A 42 1.871 -1.250 -4.388 1.00 0.00 O ATOM 700 CB LYS A 42 4.093 -3.250 -5.923 1.00 0.00 C ATOM 701 CG LYS A 42 2.946 -3.749 -6.788 1.00 0.00 C ATOM 702 CD LYS A 42 3.177 -3.436 -8.260 1.00 0.00 C ATOM 703 CE LYS A 42 3.068 -4.685 -9.121 1.00 0.00 C ATOM 704 NZ LYS A 42 1.692 -4.873 -9.654 1.00 0.00 N ATOM 0 H LYS A 42 1.799 -3.797 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 42 4.542 -2.841 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.562 -2.397 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.849 -4.032 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.833 -4.825 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.014 -3.288 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.448 -2.698 -8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.163 -2.990 -8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.772 -4.617 -9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.352 -5.558 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.660 -5.735 -10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.023 -4.964 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.430 -4.052 -10.237 1.00 0.00 H new ATOM 718 N LEU A 43 3.945 -0.439 -4.714 1.00 0.00 N ATOM 719 CA LEU A 43 3.512 0.953 -4.754 1.00 0.00 C ATOM 720 C LEU A 43 4.167 1.691 -5.914 1.00 0.00 C ATOM 721 O LEU A 43 5.377 1.597 -6.118 1.00 0.00 O ATOM 722 CB LEU A 43 3.850 1.651 -3.435 1.00 0.00 C ATOM 723 CG LEU A 43 2.830 1.450 -2.314 1.00 0.00 C ATOM 724 CD1 LEU A 43 3.157 0.199 -1.514 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.788 2.671 -1.407 1.00 0.00 C ATOM 0 H LEU A 43 4.949 -0.572 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 43 2.432 0.969 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.820 1.293 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.953 2.720 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 43 1.845 1.322 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.421 0.072 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.135 -0.670 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.150 0.297 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.057 2.511 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.772 2.831 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.505 3.548 -1.990 1.00 0.00 H new ATOM 737 N GLU A 44 3.361 2.424 -6.672 1.00 0.00 N ATOM 738 CA GLU A 44 3.866 3.179 -7.813 1.00 0.00 C ATOM 739 C GLU A 44 4.031 4.653 -7.458 1.00 0.00 C ATOM 740 O GLU A 44 3.096 5.444 -7.593 1.00 0.00 O ATOM 741 CB GLU A 44 2.927 3.030 -9.010 1.00 0.00 C ATOM 742 CG GLU A 44 2.522 1.592 -9.290 1.00 0.00 C ATOM 743 CD GLU A 44 1.962 1.406 -10.686 1.00 0.00 C ATOM 744 OE1 GLU A 44 0.737 1.576 -10.863 1.00 0.00 O ATOM 745 OE2 GLU A 44 2.748 1.088 -11.604 1.00 0.00 O ATOM 0 H GLU A 44 2.357 2.512 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 44 4.843 2.776 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.030 3.624 -8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.412 3.441 -9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.388 0.943 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.777 1.279 -8.559 1.00 0.00 H new ATOM 752 N PHE A 45 5.226 5.017 -7.007 1.00 0.00 N ATOM 753 CA PHE A 45 5.515 6.396 -6.634 1.00 0.00 C ATOM 754 C PHE A 45 5.315 7.331 -7.824 1.00 0.00 C ATOM 755 O PHE A 45 6.082 7.303 -8.786 1.00 0.00 O ATOM 756 CB PHE A 45 6.950 6.520 -6.111 1.00 0.00 C ATOM 757 CG PHE A 45 7.351 5.411 -5.178 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.465 4.928 -4.227 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.618 4.853 -5.254 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.835 3.911 -3.370 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.993 3.835 -4.398 1.00 0.00 C ATOM 762 CZ PHE A 45 8.101 3.363 -3.455 1.00 0.00 C ATOM 0 H PHE A 45 6.011 4.376 -6.891 1.00 0.00 H new ATOM 0 HA PHE A 45 4.823 6.684 -5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.636 6.536 -6.958 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.058 7.474 -5.595 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.474 5.352 -4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.319 5.218 -5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.136 3.544 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.983 3.409 -4.466 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.392 2.567 -2.785 1.00 0.00 H new ATOM 772 N LYS A 46 4.274 8.154 -7.751 1.00 0.00 N ATOM 773 CA LYS A 46 3.964 9.095 -8.822 1.00 0.00 C ATOM 774 C LYS A 46 5.141 10.031 -9.090 1.00 0.00 C ATOM 775 O LYS A 46 5.401 10.401 -10.235 1.00 0.00 O ATOM 776 CB LYS A 46 2.720 9.910 -8.465 1.00 0.00 C ATOM 777 CG LYS A 46 1.427 9.115 -8.553 1.00 0.00 C ATOM 778 CD LYS A 46 1.052 8.820 -9.997 1.00 0.00 C ATOM 779 CE LYS A 46 -0.448 8.934 -10.216 1.00 0.00 C ATOM 780 NZ LYS A 46 -0.781 9.237 -11.635 1.00 0.00 N ATOM 0 H LYS A 46 3.630 8.189 -6.961 1.00 0.00 H new ATOM 0 HA LYS A 46 3.770 8.522 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.829 10.300 -7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.655 10.769 -9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.536 8.179 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.622 9.672 -8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.571 9.514 -10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.385 7.817 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.930 8.002 -9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.850 9.717 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.813 9.307 -11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.343 10.139 -11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.420 8.477 -12.246 1.00 0.00 H new ATOM 901 N PHE A 54 1.588 17.999 -1.732 1.00 0.00 N ATOM 902 CA PHE A 54 0.862 16.737 -1.816 1.00 0.00 C ATOM 903 C PHE A 54 1.766 15.610 -2.296 1.00 0.00 C ATOM 904 O PHE A 54 2.314 15.666 -3.396 1.00 0.00 O ATOM 905 CB PHE A 54 -0.339 16.874 -2.754 1.00 0.00 C ATOM 906 CG PHE A 54 -1.125 18.136 -2.546 1.00 0.00 C ATOM 907 CD1 PHE A 54 -0.784 19.299 -3.218 1.00 0.00 C ATOM 908 CD2 PHE A 54 -2.206 18.158 -1.679 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.508 20.462 -3.029 1.00 0.00 C ATOM 910 CE2 PHE A 54 -2.934 19.318 -1.488 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.584 20.471 -2.163 1.00 0.00 C ATOM 0 HA PHE A 54 0.509 16.490 -0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.011 16.840 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.999 16.018 -2.613 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.056 19.297 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.483 17.260 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.232 21.362 -3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.776 19.322 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.151 21.378 -2.014 1.00 0.00 H new ATOM 921 N TYR A 55 1.909 14.583 -1.465 1.00 0.00 N ATOM 922 CA TYR A 55 2.738 13.438 -1.811 1.00 0.00 C ATOM 923 C TYR A 55 1.879 12.301 -2.349 1.00 0.00 C ATOM 924 O TYR A 55 1.128 11.670 -1.605 1.00 0.00 O ATOM 925 CB TYR A 55 3.529 12.964 -0.592 1.00 0.00 C ATOM 926 CG TYR A 55 4.698 13.857 -0.241 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.493 15.121 0.298 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.005 13.436 -0.449 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.558 15.941 0.619 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.075 14.249 -0.130 1.00 0.00 C ATOM 931 CZ TYR A 55 6.847 15.500 0.403 1.00 0.00 C ATOM 932 OH TYR A 55 7.911 16.313 0.723 1.00 0.00 O ATOM 0 H TYR A 55 1.462 14.521 -0.550 1.00 0.00 H new ATOM 0 HA TYR A 55 3.439 13.745 -2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.858 12.905 0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.897 11.955 -0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.485 15.468 0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.188 12.457 -0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.382 16.921 1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.085 13.906 -0.297 1.00 0.00 H new ATOM 0 HH TYR A 55 8.750 15.853 0.510 1.00 0.00 H new ATOM 942 N SER A 56 1.993 12.054 -3.647 1.00 0.00 N ATOM 943 CA SER A 56 1.225 10.998 -4.295 1.00 0.00 C ATOM 944 C SER A 56 1.945 9.656 -4.211 1.00 0.00 C ATOM 945 O SER A 56 3.154 9.572 -4.430 1.00 0.00 O ATOM 946 CB SER A 56 0.965 11.359 -5.759 1.00 0.00 C ATOM 947 OG SER A 56 0.152 12.516 -5.864 1.00 0.00 O ATOM 0 H SER A 56 2.610 12.571 -4.273 1.00 0.00 H new ATOM 0 HA SER A 56 0.274 10.906 -3.771 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.913 11.530 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.479 10.523 -6.262 1.00 0.00 H new ATOM 0 HG SER A 56 0.002 12.726 -6.809 1.00 0.00 H new ATOM 953 N PHE A 57 1.190 8.608 -3.895 1.00 0.00 N ATOM 954 CA PHE A 57 1.749 7.265 -3.785 1.00 0.00 C ATOM 955 C PHE A 57 0.709 6.218 -4.168 1.00 0.00 C ATOM 956 O PHE A 57 -0.353 6.130 -3.551 1.00 0.00 O ATOM 957 CB PHE A 57 2.246 7.012 -2.360 1.00 0.00 C ATOM 958 CG PHE A 57 3.638 7.516 -2.112 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.863 8.851 -1.821 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.723 6.655 -2.170 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.143 9.320 -1.593 1.00 0.00 C ATOM 962 CE2 PHE A 57 6.005 7.116 -1.943 1.00 0.00 C ATOM 963 CZ PHE A 57 6.215 8.450 -1.653 1.00 0.00 C ATOM 0 H PHE A 57 0.188 8.663 -3.710 1.00 0.00 H new ATOM 0 HA PHE A 57 2.591 7.187 -4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.565 7.490 -1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.214 5.941 -2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.028 9.534 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.564 5.611 -2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.305 10.364 -1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.842 6.435 -1.992 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.216 8.813 -1.473 1.00 0.00 H new ATOM 973 N ASN A 58 1.017 5.426 -5.190 1.00 0.00 N ATOM 974 CA ASN A 58 0.101 4.390 -5.652 1.00 0.00 C ATOM 975 C ASN A 58 0.318 3.088 -4.886 1.00 0.00 C ATOM 976 O ASN A 58 1.388 2.860 -4.320 1.00 0.00 O ATOM 977 CB ASN A 58 0.280 4.150 -7.154 1.00 0.00 C ATOM 978 CG ASN A 58 -1.035 4.180 -7.904 1.00 0.00 C ATOM 979 OD1 ASN A 58 -1.991 4.832 -7.481 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.094 3.472 -9.027 1.00 0.00 N ATOM 0 H ASN A 58 1.891 5.482 -5.713 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.917 4.733 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.946 4.909 -7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.762 3.185 -7.310 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.955 3.455 -9.574 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.279 2.946 -9.342 1.00 0.00 H new ATOM 987 N VAL A 59 -0.705 2.239 -4.870 1.00 0.00 N ATOM 988 CA VAL A 59 -0.626 0.962 -4.170 1.00 0.00 C ATOM 989 C VAL A 59 -1.288 -0.150 -4.975 1.00 0.00 C ATOM 990 O VAL A 59 -2.509 -0.185 -5.119 1.00 0.00 O ATOM 991 CB VAL A 59 -1.295 1.036 -2.783 1.00 0.00 C ATOM 992 CG1 VAL A 59 -0.886 -0.153 -1.929 1.00 0.00 C ATOM 993 CG2 VAL A 59 -0.948 2.345 -2.090 1.00 0.00 C ATOM 0 H VAL A 59 -1.597 2.412 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 59 0.434 0.739 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.376 1.001 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.368 -0.083 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.193 -1.076 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.196 -0.153 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.430 2.378 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.133 2.415 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.298 3.181 -2.695 1.00 0.00 H new ATOM 1003 N SER A 60 -0.473 -1.062 -5.496 1.00 0.00 N ATOM 1004 CA SER A 60 -0.979 -2.181 -6.283 1.00 0.00 C ATOM 1005 C SER A 60 -0.969 -3.467 -5.466 1.00 0.00 C ATOM 1006 O SER A 60 0.091 -4.026 -5.185 1.00 0.00 O ATOM 1007 CB SER A 60 -0.143 -2.360 -7.552 1.00 0.00 C ATOM 1008 OG SER A 60 -0.730 -1.684 -8.650 1.00 0.00 O ATOM 0 H SER A 60 0.541 -1.048 -5.387 1.00 0.00 H new ATOM 0 HA SER A 60 -2.008 -1.959 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.865 -1.980 -7.384 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.049 -3.421 -7.783 1.00 0.00 H new ATOM 0 HG SER A 60 -0.176 -1.813 -9.448 1.00 0.00 H new ATOM 1014 N MET A 61 -2.154 -3.932 -5.085 1.00 0.00 N ATOM 1015 CA MET A 61 -2.279 -5.152 -4.297 1.00 0.00 C ATOM 1016 C MET A 61 -3.339 -6.077 -4.890 1.00 0.00 C ATOM 1017 O MET A 61 -4.283 -5.623 -5.535 1.00 0.00 O ATOM 1018 CB MET A 61 -2.633 -4.811 -2.847 1.00 0.00 C ATOM 1019 CG MET A 61 -2.816 -6.033 -1.960 1.00 0.00 C ATOM 1020 SD MET A 61 -2.381 -5.712 -0.240 1.00 0.00 S ATOM 1021 CE MET A 61 -2.641 -7.331 0.482 1.00 0.00 C ATOM 0 H MET A 61 -3.042 -3.482 -5.309 1.00 0.00 H new ATOM 0 HA MET A 61 -1.320 -5.670 -4.318 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.847 -4.183 -2.428 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.551 -4.223 -2.835 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.853 -6.364 -2.013 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.201 -6.849 -2.340 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.852 -7.225 1.546 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.484 -7.817 -0.009 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.745 -7.937 0.348 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.175 -7.377 -4.663 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.116 -8.367 -5.175 1.00 0.00 C ATOM 1033 C GLU A 62 -5.414 -8.347 -4.373 1.00 0.00 C ATOM 1034 O GLU A 62 -5.418 -8.623 -3.172 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.491 -9.765 -5.131 1.00 0.00 C ATOM 1036 CG GLU A 62 -3.265 -10.371 -6.508 1.00 0.00 C ATOM 1037 CD GLU A 62 -4.293 -11.432 -6.853 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -4.083 -12.606 -6.481 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -5.308 -11.088 -7.494 1.00 0.00 O ATOM 0 H GLU A 62 -2.400 -7.769 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.347 -8.115 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.538 -9.712 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.138 -10.426 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.297 -9.581 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.268 -10.809 -6.549 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.512 -8.020 -5.044 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.817 -7.964 -4.394 1.00 0.00 C ATOM 1048 C VAL A 63 -8.704 -9.119 -4.848 1.00 0.00 C ATOM 1049 O VAL A 63 -8.647 -9.543 -6.003 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.532 -6.629 -4.688 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.890 -6.580 -4.005 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.667 -5.456 -4.253 1.00 0.00 C ATOM 0 H VAL A 63 -6.525 -7.790 -6.038 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.644 -8.044 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.694 -6.557 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.375 -5.629 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.511 -7.398 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.759 -6.677 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.186 -4.522 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.472 -5.525 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.722 -5.479 -4.796 1.00 0.00 H new ATOM 1062 N SER A 64 -9.522 -9.623 -3.931 1.00 0.00 N ATOM 1063 CA SER A 64 -10.424 -10.730 -4.233 1.00 0.00 C ATOM 1064 C SER A 64 -11.881 -10.287 -4.138 1.00 0.00 C ATOM 1065 O SER A 64 -12.742 -10.797 -4.857 1.00 0.00 O ATOM 1066 CB SER A 64 -10.170 -11.897 -3.275 1.00 0.00 C ATOM 1067 OG SER A 64 -9.294 -12.850 -3.854 1.00 0.00 O ATOM 0 H SER A 64 -9.580 -9.283 -2.971 1.00 0.00 H new ATOM 0 HA SER A 64 -10.229 -11.057 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.742 -11.522 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.116 -12.375 -3.020 1.00 0.00 H new ATOM 0 HG SER A 64 -9.146 -13.584 -3.222 1.00 0.00 H new ATOM 1073 N ASN A 65 -12.152 -9.338 -3.248 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.506 -8.828 -3.060 1.00 0.00 C ATOM 1075 C ASN A 65 -13.500 -7.578 -2.184 1.00 0.00 C ATOM 1076 O ASN A 65 -12.440 -7.094 -1.784 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.404 -9.900 -2.431 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.646 -10.832 -1.501 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -13.712 -12.054 -1.641 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.924 -10.260 -0.545 1.00 0.00 N ATOM 0 H ASN A 65 -11.452 -8.906 -2.645 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.903 -8.565 -4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.207 -9.415 -1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.872 -10.486 -3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.396 -10.837 0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.897 -9.243 -0.465 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.689 -7.059 -1.889 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.819 -5.865 -1.060 1.00 0.00 C ATOM 1089 C GLU A 66 -14.111 -6.045 0.279 1.00 0.00 C ATOM 1090 O GLU A 66 -13.620 -5.081 0.867 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.297 -5.543 -0.822 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.086 -6.703 -0.238 1.00 0.00 C ATOM 1093 CD GLU A 66 -18.572 -6.595 -0.513 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -19.173 -5.566 -0.135 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -19.138 -7.538 -1.104 1.00 0.00 O ATOM 0 H GLU A 66 -15.576 -7.447 -2.212 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.349 -5.037 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.370 -4.689 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.752 -5.244 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.711 -7.638 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.922 -6.744 0.839 1.00 0.00 H new ATOM 1102 N SER A 67 -14.060 -7.286 0.755 1.00 0.00 N ATOM 1103 CA SER A 67 -13.410 -7.594 2.026 1.00 0.00 C ATOM 1104 C SER A 67 -11.999 -7.014 2.073 1.00 0.00 C ATOM 1105 O SER A 67 -11.663 -6.245 2.973 1.00 0.00 O ATOM 1106 CB SER A 67 -13.359 -9.108 2.241 1.00 0.00 C ATOM 1107 OG SER A 67 -13.594 -9.439 3.599 1.00 0.00 O ATOM 0 H SER A 67 -14.461 -8.095 0.280 1.00 0.00 H new ATOM 0 HA SER A 67 -13.996 -7.139 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.105 -9.593 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.385 -9.489 1.934 1.00 0.00 H new ATOM 0 HG SER A 67 -13.558 -10.412 3.710 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.181 -7.384 1.095 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.809 -6.895 1.028 1.00 0.00 C ATOM 1115 C GLU A 68 -9.789 -5.388 0.810 1.00 0.00 C ATOM 1116 O GLU A 68 -9.090 -4.660 1.512 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.036 -7.592 -0.097 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.403 -9.055 -0.283 1.00 0.00 C ATOM 1119 CD GLU A 68 -8.208 -9.916 -0.645 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.535 -9.602 -1.649 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -7.947 -10.903 0.074 1.00 0.00 O ATOM 0 H GLU A 68 -11.442 -8.018 0.340 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.325 -7.123 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.217 -7.061 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.968 -7.519 0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.853 -9.432 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.157 -9.140 -1.065 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.565 -4.923 -0.167 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.641 -3.499 -0.486 1.00 0.00 C ATOM 1130 C ARG A 69 -10.756 -2.650 0.780 1.00 0.00 C ATOM 1131 O ARG A 69 -10.227 -1.540 0.845 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.833 -3.226 -1.404 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.805 -1.848 -2.045 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.846 -1.726 -3.146 1.00 0.00 C ATOM 1135 NE ARG A 69 -14.205 -1.708 -2.615 1.00 0.00 N ATOM 1136 CZ ARG A 69 -14.777 -0.634 -2.074 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -14.108 0.511 -1.992 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -16.018 -0.703 -1.615 1.00 0.00 N ATOM 0 H ARG A 69 -11.153 -5.515 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.719 -3.223 -0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.857 -3.982 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.754 -3.332 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.987 -1.088 -1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.814 -1.657 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.667 -0.813 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.739 -2.560 -3.840 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.749 -2.569 -2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.153 0.570 -2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.550 1.331 -1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.536 -1.579 -1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.455 0.120 -1.201 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.447 -3.180 1.783 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.628 -2.470 3.043 1.00 0.00 C ATOM 1154 C ASN A 70 -10.382 -2.586 3.915 1.00 0.00 C ATOM 1155 O ASN A 70 -10.070 -1.683 4.691 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.845 -3.018 3.792 1.00 0.00 C ATOM 1157 CG ASN A 70 -13.725 -1.915 4.348 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -14.080 -0.973 3.641 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.082 -2.028 5.622 1.00 0.00 N ATOM 0 H ASN A 70 -11.890 -4.098 1.748 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.795 -1.417 2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.432 -3.643 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.509 -3.657 4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.674 -1.316 6.051 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.765 -2.826 6.172 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.673 -3.702 3.782 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.461 -3.934 4.558 1.00 0.00 C ATOM 1168 C GLU A 71 -7.265 -3.228 3.923 1.00 0.00 C ATOM 1169 O GLU A 71 -6.391 -2.717 4.624 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.180 -5.434 4.669 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.315 -5.805 5.862 1.00 0.00 C ATOM 1172 CD GLU A 71 -6.229 -6.802 5.509 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -6.556 -7.849 4.911 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -5.052 -6.536 5.830 1.00 0.00 O ATOM 0 H GLU A 71 -9.917 -4.460 3.144 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.615 -3.525 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.128 -5.968 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.689 -5.772 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.857 -4.903 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.945 -6.223 6.647 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.233 -3.205 2.594 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.144 -2.562 1.869 1.00 0.00 C ATOM 1183 C ILE A 72 -6.192 -1.046 2.030 1.00 0.00 C ATOM 1184 O ILE A 72 -5.162 -0.374 1.993 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.183 -2.904 0.365 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.351 -4.416 0.165 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -4.918 -2.401 -0.319 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -5.931 -4.909 -1.205 1.00 0.00 C ATOM 0 H ILE A 72 -7.948 -3.624 1.999 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.217 -2.944 2.298 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.040 -2.406 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.767 -4.939 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.396 -4.680 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.956 -2.647 -1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.845 -1.320 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.047 -2.875 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.081 -5.987 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.532 -4.416 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.878 -4.679 -1.367 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.397 -0.512 2.207 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.576 0.926 2.371 1.00 0.00 C ATOM 1202 C PHE A 73 -7.248 1.363 3.796 1.00 0.00 C ATOM 1203 O PHE A 73 -6.423 2.251 4.009 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.010 1.325 2.017 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.100 2.254 0.840 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -8.326 3.401 0.785 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -9.959 1.978 -0.213 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -8.407 4.259 -0.297 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.042 2.830 -1.299 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.266 3.971 -1.339 1.00 0.00 C ATOM 0 H PHE A 73 -8.262 -1.052 2.240 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.887 1.430 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.587 0.425 1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.470 1.802 2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.651 3.628 1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.570 1.088 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.800 5.152 -0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.713 2.603 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.331 4.639 -2.186 1.00 0.00 H new ATOM 1220 N GLN A 74 -7.900 0.736 4.769 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.679 1.063 6.173 1.00 0.00 C ATOM 1222 C GLN A 74 -6.218 0.849 6.564 1.00 0.00 C ATOM 1223 O GLN A 74 -5.696 1.529 7.448 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.587 0.216 7.066 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.252 -1.267 7.049 1.00 0.00 C ATOM 1226 CD GLN A 74 -9.220 -2.093 7.873 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -8.811 -2.878 8.729 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -10.511 -1.922 7.619 1.00 0.00 N ATOM 0 H GLN A 74 -8.586 -0.002 4.611 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.921 2.116 6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.519 0.583 8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.621 0.349 6.748 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.259 -1.625 6.020 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.241 -1.412 7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.806 -1.261 6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.208 -2.452 8.142 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.565 -0.101 5.902 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.167 -0.404 6.184 1.00 0.00 C ATOM 1239 C LYS A 75 -3.252 0.716 5.696 1.00 0.00 C ATOM 1240 O LYS A 75 -2.436 1.237 6.454 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.768 -1.726 5.526 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.209 -2.951 6.308 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.345 -3.168 7.539 1.00 0.00 C ATOM 1244 CE LYS A 75 -3.881 -4.296 8.406 1.00 0.00 C ATOM 1245 NZ LYS A 75 -2.786 -5.153 8.942 1.00 0.00 N ATOM 0 H LYS A 75 -5.981 -0.673 5.168 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.054 -0.493 7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.199 -1.769 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.685 -1.751 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.250 -2.836 6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.158 -3.831 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.324 -3.397 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.304 -2.248 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.453 -3.877 9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.568 -4.908 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.193 -5.910 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.256 -5.573 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.144 -4.575 9.521 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.392 1.077 4.425 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.575 2.133 3.839 1.00 0.00 C ATOM 1261 C ILE A 76 -2.861 3.479 4.498 1.00 0.00 C ATOM 1262 O ILE A 76 -1.956 4.291 4.691 1.00 0.00 O ATOM 1263 CB ILE A 76 -2.813 2.248 2.319 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -1.825 3.240 1.700 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.246 2.666 2.027 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.515 2.608 1.284 1.00 0.00 C ATOM 0 H ILE A 76 -4.062 0.655 3.782 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.533 1.864 4.014 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.649 1.268 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.287 3.705 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.624 4.035 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.391 2.741 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.932 1.923 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.444 3.634 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.136 3.369 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.031 2.167 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.705 1.832 0.543 1.00 0.00 H new ATOM 1278 N SER A 77 -4.124 3.707 4.844 1.00 0.00 N ATOM 1279 CA SER A 77 -4.528 4.954 5.483 1.00 0.00 C ATOM 1280 C SER A 77 -4.651 4.775 6.993 1.00 0.00 C ATOM 1281 O SER A 77 -5.418 5.478 7.650 1.00 0.00 O ATOM 1282 CB SER A 77 -5.856 5.441 4.905 1.00 0.00 C ATOM 1283 OG SER A 77 -6.908 4.544 5.218 1.00 0.00 O ATOM 0 H SER A 77 -4.885 3.045 4.693 1.00 0.00 H new ATOM 0 HA SER A 77 -3.759 5.701 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.087 6.430 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.770 5.542 3.823 1.00 0.00 H new ATOM 0 HG SER A 77 -6.747 3.684 4.776 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.891 3.830 7.538 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.917 3.559 8.970 1.00 0.00 C ATOM 1291 C GLN A 78 -3.428 4.770 9.762 1.00 0.00 C ATOM 1292 O GLN A 78 -4.123 5.267 10.648 1.00 0.00 O ATOM 1293 CB GLN A 78 -3.055 2.339 9.298 1.00 0.00 C ATOM 1294 CG GLN A 78 -3.387 1.701 10.637 1.00 0.00 C ATOM 1295 CD GLN A 78 -3.361 0.185 10.583 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -4.389 -0.456 10.366 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -2.183 -0.394 10.782 1.00 0.00 N ATOM 0 H GLN A 78 -3.250 3.239 7.009 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.948 3.352 9.255 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.178 1.596 8.510 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.006 2.635 9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.675 2.046 11.386 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.374 2.033 10.959 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.357 0.178 10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.104 -1.411 10.758 1.00 0.00 H new ATOM 1306 N LEU A 79 -2.227 5.236 9.436 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.641 6.388 10.116 1.00 0.00 C ATOM 1308 C LEU A 79 -2.551 7.608 10.004 1.00 0.00 C ATOM 1309 O LEU A 79 -3.639 7.534 9.431 1.00 0.00 O ATOM 1310 CB LEU A 79 -0.265 6.709 9.527 1.00 0.00 C ATOM 1311 CG LEU A 79 -0.162 6.578 8.006 1.00 0.00 C ATOM 1312 CD1 LEU A 79 0.515 7.800 7.405 1.00 0.00 C ATOM 1313 CD2 LEU A 79 0.590 5.310 7.631 1.00 0.00 C ATOM 0 H LEU A 79 -1.640 4.834 8.705 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.528 6.136 11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.004 7.727 9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.471 6.048 9.984 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.171 6.514 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.578 7.686 6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.066 8.691 7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.519 7.900 7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.654 5.232 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.595 5.345 8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.061 4.443 8.026 1.00 0.00 H new ATOM 1325 N ASP A 80 -2.101 8.730 10.559 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.873 9.966 10.524 1.00 0.00 C ATOM 1327 C ASP A 80 -2.139 11.051 9.742 1.00 0.00 C ATOM 1328 O ASP A 80 -1.949 12.164 10.233 1.00 0.00 O ATOM 1329 CB ASP A 80 -3.165 10.448 11.946 1.00 0.00 C ATOM 1330 CG ASP A 80 -4.216 11.540 11.982 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -4.369 12.252 10.967 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -4.889 11.683 13.024 1.00 0.00 O ATOM 0 H ASP A 80 -1.204 8.807 11.039 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.816 9.761 10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.500 9.605 12.551 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.245 10.818 12.397 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.728 10.719 8.523 1.00 0.00 N ATOM 1338 CA LYS A 81 -1.016 11.666 7.671 1.00 0.00 C ATOM 1339 C LYS A 81 -1.746 11.853 6.344 1.00 0.00 C ATOM 1340 O LYS A 81 -2.131 12.965 5.987 1.00 0.00 O ATOM 1341 CB LYS A 81 0.414 11.184 7.417 1.00 0.00 C ATOM 1342 CG LYS A 81 1.142 10.746 8.677 1.00 0.00 C ATOM 1343 CD LYS A 81 2.066 11.838 9.196 1.00 0.00 C ATOM 1344 CE LYS A 81 1.397 12.662 10.285 1.00 0.00 C ATOM 1345 NZ LYS A 81 1.452 11.982 11.608 1.00 0.00 N ATOM 0 H LYS A 81 -1.875 9.802 8.102 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.980 12.626 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.388 10.351 6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.979 11.985 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.415 10.487 9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.721 9.846 8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.979 11.388 9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.359 12.490 8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.885 13.634 10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.357 12.846 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.986 12.576 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.965 11.065 11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.444 11.829 11.879 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.931 10.752 5.619 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.615 10.778 4.329 1.00 0.00 C ATOM 1361 C VAL A 82 -3.875 11.638 4.376 1.00 0.00 C ATOM 1362 O VAL A 82 -4.585 11.661 5.381 1.00 0.00 O ATOM 1363 CB VAL A 82 -2.997 9.357 3.872 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -1.755 8.497 3.689 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -3.956 8.715 4.864 1.00 0.00 C ATOM 0 H VAL A 82 -1.614 9.826 5.906 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.916 11.213 3.615 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.502 9.432 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.048 7.498 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.109 8.947 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.217 8.429 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.214 7.712 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.480 8.655 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.861 9.318 4.937 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.140 12.346 3.285 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.309 13.210 3.199 1.00 0.00 C ATOM 1377 C VAL A 83 -6.191 12.828 2.014 1.00 0.00 C ATOM 1378 O VAL A 83 -7.403 12.660 2.158 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.893 14.688 3.067 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -6.116 15.591 2.965 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -4.013 15.099 4.236 1.00 0.00 C ATOM 0 H VAL A 83 -3.559 12.338 2.446 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.876 13.078 4.120 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.317 14.800 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.795 16.629 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.702 15.313 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.727 15.478 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.728 16.146 4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.562 14.968 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.117 14.479 4.252 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.575 12.689 0.845 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.305 12.326 -0.364 1.00 0.00 C ATOM 1393 C GLN A 84 -6.330 10.814 -0.554 1.00 0.00 C ATOM 1394 O GLN A 84 -5.291 10.155 -0.511 1.00 0.00 O ATOM 1395 CB GLN A 84 -5.671 12.994 -1.588 1.00 0.00 C ATOM 1396 CG GLN A 84 -6.686 13.481 -2.609 1.00 0.00 C ATOM 1397 CD GLN A 84 -7.423 14.724 -2.151 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -8.312 14.656 -1.304 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -7.054 15.870 -2.712 1.00 0.00 N ATOM 0 H GLN A 84 -4.573 12.822 0.709 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.331 12.677 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.066 13.839 -1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.995 12.286 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.177 13.691 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.407 12.688 -2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.311 15.880 -3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.513 16.740 -2.444 1.00 0.00 H new ATOM 1408 N THR A 85 -7.524 10.269 -0.765 1.00 0.00 N ATOM 1409 CA THR A 85 -7.687 8.834 -0.962 1.00 0.00 C ATOM 1410 C THR A 85 -8.647 8.549 -2.112 1.00 0.00 C ATOM 1411 O THR A 85 -9.809 8.955 -2.078 1.00 0.00 O ATOM 1412 CB THR A 85 -8.201 8.177 0.321 1.00 0.00 C ATOM 1413 OG1 THR A 85 -9.141 9.013 0.971 1.00 0.00 O ATOM 1414 CG2 THR A 85 -7.102 7.864 1.314 1.00 0.00 C ATOM 0 H THR A 85 -8.394 10.801 -0.804 1.00 0.00 H new ATOM 0 HA THR A 85 -6.713 8.414 -1.212 1.00 0.00 H new ATOM 0 HB THR A 85 -8.659 7.241 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.459 8.575 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.534 7.400 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.385 7.180 0.860 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.595 8.786 1.598 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.154 7.849 -3.128 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.969 7.510 -4.289 1.00 0.00 C ATOM 1424 C LEU A 86 -10.168 6.659 -3.884 1.00 0.00 C ATOM 1425 O LEU A 86 -10.424 6.539 -2.667 1.00 0.00 O ATOM 1426 CB LEU A 86 -8.130 6.765 -5.328 1.00 0.00 C ATOM 1427 CG LEU A 86 -8.701 6.768 -6.747 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -8.666 8.171 -7.332 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -7.933 5.798 -7.632 1.00 0.00 C ATOM 1430 OXT LEU A 86 -10.845 6.122 -4.785 1.00 0.00 O ATOM 0 H LEU A 86 -7.195 7.505 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.336 8.439 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.134 7.207 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.011 5.731 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.740 6.442 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.076 8.154 -8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.261 8.840 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.636 8.526 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.353 5.813 -8.638 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.885 6.094 -7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.011 4.791 -7.221 1.00 0.00 H new