USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=21 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 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -135:sc= -0.349 USER MOD Single : A 22 MET CE :methyl 145:sc= -2.64 (180deg=-3.99!) USER MOD Single : A 23 THR OG1 : rot 65:sc= -1.94! USER MOD Single : A 24 THR OG1 : rot -70:sc= -1.84 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.103 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 130:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0372 X(o=-0.037,f=0) 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 118:sc= -2.25 USER MOD Single : A 58 ASN : amide:sc= -0.559 K(o=-0.56,f=-3.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -136:sc= -0.343 (180deg=-1.74!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.187 F(o=-2,f=-0.19) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.57! F(o=-2.2,f=-1.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0333 USER MOD Single : A 78 GLN : amide:sc= -0.0332 K(o=-0.033,f=-2.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0525 X(o=-0.053,f=-0.34) USER MOD Single : A 85 THR OG1 : rot 145:sc= 0.273 USER MOD ----------------------------------------------------------------- ATOM 178 N TYR A 12 -14.610 -9.458 -7.588 1.00 0.00 N ATOM 179 CA TYR A 12 -13.496 -8.999 -8.414 1.00 0.00 C ATOM 180 C TYR A 12 -12.164 -9.467 -7.836 1.00 0.00 C ATOM 181 O TYR A 12 -11.548 -8.773 -7.028 1.00 0.00 O ATOM 182 CB TYR A 12 -13.501 -7.473 -8.540 1.00 0.00 C ATOM 183 CG TYR A 12 -14.011 -6.749 -7.311 1.00 0.00 C ATOM 184 CD1 TYR A 12 -13.195 -6.554 -6.202 1.00 0.00 C ATOM 185 CD2 TYR A 12 -15.309 -6.254 -7.264 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.659 -5.890 -5.083 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.778 -5.586 -6.149 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.951 -5.407 -5.062 1.00 0.00 C ATOM 189 OH TYR A 12 -15.415 -4.744 -3.949 1.00 0.00 O ATOM 0 HA TYR A 12 -13.620 -9.432 -9.407 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.487 -7.134 -8.753 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.117 -7.192 -9.395 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.182 -6.928 -6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.962 -6.394 -8.113 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -13.013 -5.750 -4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.789 -5.206 -6.130 1.00 0.00 H new ATOM 0 HH TYR A 12 -16.344 -4.468 -4.096 1.00 0.00 H new ATOM 199 N PRO A 13 -11.697 -10.659 -8.241 1.00 0.00 N ATOM 200 CA PRO A 13 -10.443 -11.218 -7.762 1.00 0.00 C ATOM 201 C PRO A 13 -9.259 -10.844 -8.650 1.00 0.00 C ATOM 202 O PRO A 13 -8.684 -11.696 -9.327 1.00 0.00 O ATOM 203 CB PRO A 13 -10.720 -12.714 -7.832 1.00 0.00 C ATOM 204 CG PRO A 13 -11.599 -12.871 -9.032 1.00 0.00 C ATOM 205 CD PRO A 13 -12.359 -11.571 -9.192 1.00 0.00 C ATOM 0 HA PRO A 13 -10.165 -10.853 -6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.797 -13.285 -7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.214 -13.070 -6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.005 -13.083 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.286 -13.707 -8.901 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.300 -11.196 -10.214 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.417 -11.694 -8.958 1.00 0.00 H new ATOM 213 N CYS A 14 -8.901 -9.565 -8.641 1.00 0.00 N ATOM 214 CA CYS A 14 -7.786 -9.078 -9.447 1.00 0.00 C ATOM 215 C CYS A 14 -7.012 -7.991 -8.707 1.00 0.00 C ATOM 216 O CYS A 14 -7.506 -7.414 -7.739 1.00 0.00 O ATOM 217 CB CYS A 14 -8.295 -8.541 -10.786 1.00 0.00 C ATOM 218 SG CYS A 14 -8.070 -9.681 -12.172 1.00 0.00 S ATOM 0 H CYS A 14 -9.366 -8.847 -8.085 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.111 -9.914 -9.632 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.355 -8.306 -10.692 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.780 -7.607 -11.010 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.533 -9.139 -13.259 1.00 0.00 H new ATOM 224 N LEU A 15 -5.797 -7.718 -9.173 1.00 0.00 N ATOM 225 CA LEU A 15 -4.955 -6.699 -8.558 1.00 0.00 C ATOM 226 C LEU A 15 -5.456 -5.298 -8.903 1.00 0.00 C ATOM 227 O LEU A 15 -5.499 -4.915 -10.072 1.00 0.00 O ATOM 228 CB LEU A 15 -3.503 -6.865 -9.016 1.00 0.00 C ATOM 229 CG LEU A 15 -2.476 -6.975 -7.889 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.341 -7.906 -8.290 1.00 0.00 C ATOM 231 CD2 LEU A 15 -1.937 -5.601 -7.523 1.00 0.00 C ATOM 0 H LEU A 15 -5.374 -8.188 -9.974 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.004 -6.825 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.434 -7.758 -9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.238 -6.016 -9.647 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.970 -7.394 -7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.620 -7.972 -7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.741 -8.898 -8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.848 -7.516 -9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.207 -5.699 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.459 -5.154 -8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.758 -4.964 -7.193 1.00 0.00 H new ATOM 243 N TRP A 16 -5.832 -4.541 -7.878 1.00 0.00 N ATOM 244 CA TRP A 16 -6.330 -3.185 -8.073 1.00 0.00 C ATOM 245 C TRP A 16 -5.384 -2.163 -7.451 1.00 0.00 C ATOM 246 O TRP A 16 -4.787 -2.411 -6.404 1.00 0.00 O ATOM 247 CB TRP A 16 -7.727 -3.037 -7.468 1.00 0.00 C ATOM 248 CG TRP A 16 -8.386 -1.735 -7.803 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.809 -0.780 -6.923 1.00 0.00 C ATOM 250 CD2 TRP A 16 -8.697 -1.242 -9.111 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.364 0.275 -7.605 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.307 0.016 -8.949 1.00 0.00 C ATOM 253 CE3 TRP A 16 -8.517 -1.742 -10.405 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -9.739 0.779 -10.032 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -8.946 -0.983 -11.476 1.00 0.00 C ATOM 256 CH2 TRP A 16 -9.550 0.266 -11.285 1.00 0.00 C ATOM 0 H TRP A 16 -5.801 -4.843 -6.904 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.386 -2.998 -9.145 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.356 -3.855 -7.820 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.657 -3.132 -6.384 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.720 -0.845 -5.849 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.755 1.115 -7.180 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.051 -2.703 -10.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.207 1.742 -9.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -8.813 -1.360 -12.479 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -9.873 0.835 -12.144 1.00 0.00 H new ATOM 267 N ASP A 17 -5.254 -1.012 -8.103 1.00 0.00 N ATOM 268 CA ASP A 17 -4.381 0.049 -7.615 1.00 0.00 C ATOM 269 C ASP A 17 -5.156 1.029 -6.738 1.00 0.00 C ATOM 270 O ASP A 17 -6.363 1.203 -6.904 1.00 0.00 O ATOM 271 CB ASP A 17 -3.742 0.793 -8.789 1.00 0.00 C ATOM 272 CG ASP A 17 -4.766 1.246 -9.811 1.00 0.00 C ATOM 273 OD1 ASP A 17 -5.415 0.375 -10.426 1.00 0.00 O ATOM 274 OD2 ASP A 17 -4.918 2.473 -9.997 1.00 0.00 O ATOM 0 H ASP A 17 -5.742 -0.790 -8.971 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.595 -0.408 -7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.199 1.660 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.012 0.144 -9.273 1.00 0.00 H new ATOM 279 N TYR A 18 -4.455 1.666 -5.807 1.00 0.00 N ATOM 280 CA TYR A 18 -5.080 2.626 -4.907 1.00 0.00 C ATOM 281 C TYR A 18 -4.263 3.910 -4.830 1.00 0.00 C ATOM 282 O TYR A 18 -3.246 3.969 -4.136 1.00 0.00 O ATOM 283 CB TYR A 18 -5.238 2.021 -3.511 1.00 0.00 C ATOM 284 CG TYR A 18 -6.123 0.796 -3.478 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.508 0.917 -3.505 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.577 -0.479 -3.420 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.321 -0.201 -3.474 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.384 -1.602 -3.391 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.755 -1.456 -3.418 1.00 0.00 C ATOM 290 OH TYR A 18 -8.561 -2.569 -3.388 1.00 0.00 O ATOM 0 H TYR A 18 -3.455 1.535 -5.656 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.066 2.869 -5.302 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.253 1.758 -3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.652 2.776 -2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.955 1.899 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.504 -0.596 -3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.395 -0.091 -3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.943 -2.587 -3.347 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.233 -3.192 -2.706 1.00 0.00 H new ATOM 300 N ARG A 19 -4.715 4.936 -5.543 1.00 0.00 N ATOM 301 CA ARG A 19 -4.025 6.219 -5.554 1.00 0.00 C ATOM 302 C ARG A 19 -4.325 7.002 -4.279 1.00 0.00 C ATOM 303 O ARG A 19 -5.381 7.623 -4.153 1.00 0.00 O ATOM 304 CB ARG A 19 -4.439 7.034 -6.782 1.00 0.00 C ATOM 305 CG ARG A 19 -3.264 7.476 -7.642 1.00 0.00 C ATOM 306 CD ARG A 19 -3.037 8.976 -7.549 1.00 0.00 C ATOM 307 NE ARG A 19 -3.939 9.722 -8.423 1.00 0.00 N ATOM 308 CZ ARG A 19 -3.764 10.999 -8.751 1.00 0.00 C ATOM 309 NH1 ARG A 19 -2.727 11.676 -8.277 1.00 0.00 N ATOM 310 NH2 ARG A 19 -4.632 11.602 -9.553 1.00 0.00 N ATOM 0 H ARG A 19 -5.555 4.903 -6.120 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.952 6.031 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.120 6.439 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.991 7.915 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.363 6.951 -7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.447 7.199 -8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.180 9.301 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.005 9.203 -7.815 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.750 9.235 -8.804 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.059 11.218 -7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.598 12.655 -8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.433 11.086 -9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.498 12.581 -9.805 1.00 0.00 H new ATOM 324 N VAL A 20 -3.393 6.963 -3.333 1.00 0.00 N ATOM 325 CA VAL A 20 -3.559 7.665 -2.064 1.00 0.00 C ATOM 326 C VAL A 20 -2.511 8.761 -1.897 1.00 0.00 C ATOM 327 O VAL A 20 -1.311 8.508 -2.012 1.00 0.00 O ATOM 328 CB VAL A 20 -3.460 6.698 -0.870 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.857 7.400 0.420 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.325 5.469 -1.103 1.00 0.00 C ATOM 0 H VAL A 20 -2.514 6.453 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.552 8.114 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.424 6.372 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.781 6.701 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.191 8.245 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.884 7.757 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.241 4.798 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.364 5.773 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.990 4.954 -2.003 1.00 0.00 H new ATOM 340 N ILE A 21 -2.970 9.979 -1.624 1.00 0.00 N ATOM 341 CA ILE A 21 -2.068 11.110 -1.439 1.00 0.00 C ATOM 342 C ILE A 21 -2.049 11.566 0.014 1.00 0.00 C ATOM 343 O ILE A 21 -3.091 11.638 0.666 1.00 0.00 O ATOM 344 CB ILE A 21 -2.456 12.312 -2.327 1.00 0.00 C ATOM 345 CG1 ILE A 21 -3.015 11.856 -3.684 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.257 13.226 -2.524 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.266 10.703 -4.322 1.00 0.00 C ATOM 0 H ILE A 21 -3.959 10.207 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.077 10.761 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.245 12.865 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.058 11.566 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.003 12.703 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.542 14.070 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.916 13.593 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.452 12.671 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.731 10.450 -5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.228 10.992 -4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.299 9.837 -3.661 1.00 0.00 H new ATOM 359 N MET A 22 -0.859 11.876 0.518 1.00 0.00 N ATOM 360 CA MET A 22 -0.704 12.327 1.892 1.00 0.00 C ATOM 361 C MET A 22 -0.170 13.752 1.934 1.00 0.00 C ATOM 362 O MET A 22 0.629 14.154 1.086 1.00 0.00 O ATOM 363 CB MET A 22 0.241 11.396 2.655 1.00 0.00 C ATOM 364 CG MET A 22 0.257 9.967 2.135 1.00 0.00 C ATOM 365 SD MET A 22 1.604 9.666 0.973 1.00 0.00 S ATOM 366 CE MET A 22 1.948 7.937 1.291 1.00 0.00 C ATOM 0 H MET A 22 0.013 11.822 -0.008 1.00 0.00 H new ATOM 0 HA MET A 22 -1.684 12.307 2.368 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.252 11.801 2.605 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.047 11.386 3.706 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.347 9.279 2.976 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.694 9.751 1.647 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.236 7.446 0.361 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.762 7.854 2.012 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.056 7.457 1.694 1.00 0.00 H new ATOM 376 N THR A 23 -0.616 14.513 2.926 1.00 0.00 N ATOM 377 CA THR A 23 -0.182 15.897 3.080 1.00 0.00 C ATOM 378 C THR A 23 0.460 16.115 4.447 1.00 0.00 C ATOM 379 O THR A 23 -0.099 16.790 5.312 1.00 0.00 O ATOM 380 CB THR A 23 -1.369 16.850 2.895 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.155 16.923 4.074 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.289 16.445 1.760 1.00 0.00 C ATOM 0 H THR A 23 -1.277 14.196 3.635 1.00 0.00 H new ATOM 0 HA THR A 23 0.563 16.108 2.313 1.00 0.00 H new ATOM 0 HB THR A 23 -0.923 17.816 2.661 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.628 17.328 4.794 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.108 17.160 1.683 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.729 16.432 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.692 15.451 1.955 1.00 0.00 H new ATOM 390 N THR A 24 1.642 15.536 4.637 1.00 0.00 N ATOM 391 CA THR A 24 2.360 15.667 5.900 1.00 0.00 C ATOM 392 C THR A 24 3.822 16.031 5.663 1.00 0.00 C ATOM 393 O THR A 24 4.370 15.776 4.590 1.00 0.00 O ATOM 394 CB THR A 24 2.268 14.367 6.698 1.00 0.00 C ATOM 395 OG1 THR A 24 0.977 13.796 6.582 1.00 0.00 O ATOM 396 CG2 THR A 24 2.558 14.548 8.172 1.00 0.00 C ATOM 0 H THR A 24 2.122 14.973 3.934 1.00 0.00 H new ATOM 0 HA THR A 24 1.895 16.470 6.471 1.00 0.00 H new ATOM 0 HB THR A 24 3.029 13.713 6.271 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.330 14.349 7.068 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.476 13.587 8.680 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.567 14.940 8.299 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.840 15.248 8.601 1.00 0.00 H new ATOM 404 N LYS A 25 4.447 16.629 6.672 1.00 0.00 N ATOM 405 CA LYS A 25 5.847 17.026 6.576 1.00 0.00 C ATOM 406 C LYS A 25 6.754 15.990 7.233 1.00 0.00 C ATOM 407 O LYS A 25 7.841 16.315 7.711 1.00 0.00 O ATOM 408 CB LYS A 25 6.056 18.394 7.231 1.00 0.00 C ATOM 409 CG LYS A 25 5.740 18.412 8.718 1.00 0.00 C ATOM 410 CD LYS A 25 6.359 19.619 9.403 1.00 0.00 C ATOM 411 CE LYS A 25 5.337 20.724 9.619 1.00 0.00 C ATOM 412 NZ LYS A 25 5.267 21.651 8.455 1.00 0.00 N ATOM 0 H LYS A 25 4.006 16.849 7.565 1.00 0.00 H new ATOM 0 HA LYS A 25 6.109 17.092 5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.091 18.703 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.429 19.129 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.660 18.425 8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.112 17.498 9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.779 19.318 10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.184 19.998 8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.355 20.282 9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.595 21.287 10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.559 22.390 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.197 22.092 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.996 21.119 7.603 1.00 0.00 H new ATOM 426 N ASP A 26 6.300 14.740 7.251 1.00 0.00 N ATOM 427 CA ASP A 26 7.070 13.655 7.846 1.00 0.00 C ATOM 428 C ASP A 26 6.673 12.313 7.237 1.00 0.00 C ATOM 429 O ASP A 26 6.396 11.350 7.952 1.00 0.00 O ATOM 430 CB ASP A 26 6.862 13.626 9.362 1.00 0.00 C ATOM 431 CG ASP A 26 8.122 13.243 10.112 1.00 0.00 C ATOM 432 OD1 ASP A 26 8.358 12.030 10.295 1.00 0.00 O ATOM 433 OD2 ASP A 26 8.873 14.155 10.517 1.00 0.00 O ATOM 0 H ASP A 26 5.402 14.454 6.860 1.00 0.00 H new ATOM 0 HA ASP A 26 8.125 13.831 7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.526 14.607 9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.069 12.918 9.604 1.00 0.00 H new ATOM 438 N THR A 27 6.645 12.261 5.910 1.00 0.00 N ATOM 439 CA THR A 27 6.278 11.042 5.195 1.00 0.00 C ATOM 440 C THR A 27 7.366 9.973 5.314 1.00 0.00 C ATOM 441 O THR A 27 7.156 8.823 4.929 1.00 0.00 O ATOM 442 CB THR A 27 6.012 11.353 3.723 1.00 0.00 C ATOM 443 OG1 THR A 27 7.214 11.700 3.059 1.00 0.00 O ATOM 444 CG2 THR A 27 5.030 12.487 3.519 1.00 0.00 C ATOM 0 H THR A 27 6.872 13.050 5.305 1.00 0.00 H new ATOM 0 HA THR A 27 5.369 10.650 5.652 1.00 0.00 H new ATOM 0 HB THR A 27 5.581 10.442 3.308 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.023 11.894 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.886 12.656 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.075 12.229 3.977 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.421 13.394 3.981 1.00 0.00 H new ATOM 452 N SER A 28 8.527 10.353 5.846 1.00 0.00 N ATOM 453 CA SER A 28 9.637 9.418 6.007 1.00 0.00 C ATOM 454 C SER A 28 9.184 8.145 6.718 1.00 0.00 C ATOM 455 O SER A 28 9.768 7.077 6.534 1.00 0.00 O ATOM 456 CB SER A 28 10.775 10.074 6.790 1.00 0.00 C ATOM 457 OG SER A 28 11.508 10.969 5.971 1.00 0.00 O ATOM 0 H SER A 28 8.722 11.300 6.172 1.00 0.00 H new ATOM 0 HA SER A 28 9.995 9.148 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.369 10.611 7.647 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.442 9.306 7.182 1.00 0.00 H new ATOM 0 HG SER A 28 12.229 11.377 6.495 1.00 0.00 H new ATOM 463 N THR A 29 8.135 8.261 7.527 1.00 0.00 N ATOM 464 CA THR A 29 7.604 7.116 8.255 1.00 0.00 C ATOM 465 C THR A 29 6.803 6.212 7.323 1.00 0.00 C ATOM 466 O THR A 29 6.715 5.002 7.537 1.00 0.00 O ATOM 467 CB THR A 29 6.723 7.586 9.415 1.00 0.00 C ATOM 468 OG1 THR A 29 6.076 6.486 10.030 1.00 0.00 O ATOM 469 CG2 THR A 29 5.655 8.572 8.995 1.00 0.00 C ATOM 0 H THR A 29 7.637 9.136 7.694 1.00 0.00 H new ATOM 0 HA THR A 29 8.442 6.546 8.656 1.00 0.00 H new ATOM 0 HB THR A 29 7.400 8.084 10.109 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.519 6.806 10.770 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.067 8.864 9.865 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.125 9.455 8.562 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.003 8.108 8.255 1.00 0.00 H new ATOM 477 N LEU A 30 6.223 6.807 6.285 1.00 0.00 N ATOM 478 CA LEU A 30 5.433 6.056 5.320 1.00 0.00 C ATOM 479 C LEU A 30 6.338 5.355 4.313 1.00 0.00 C ATOM 480 O LEU A 30 6.141 4.183 3.997 1.00 0.00 O ATOM 481 CB LEU A 30 4.457 6.984 4.592 1.00 0.00 C ATOM 482 CG LEU A 30 3.021 6.956 5.120 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.430 8.360 5.135 1.00 0.00 C ATOM 484 CD2 LEU A 30 2.163 6.024 4.277 1.00 0.00 C ATOM 0 H LEU A 30 6.286 7.807 6.092 1.00 0.00 H new ATOM 0 HA LEU A 30 4.864 5.300 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.832 8.005 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.445 6.717 3.535 1.00 0.00 H new ATOM 0 HG LEU A 30 3.036 6.579 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.409 8.321 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.031 9.001 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.427 8.764 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.145 6.016 4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.154 6.372 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.575 5.015 4.316 1.00 0.00 H new ATOM 496 N LYS A 31 7.331 6.080 3.812 1.00 0.00 N ATOM 497 CA LYS A 31 8.262 5.523 2.840 1.00 0.00 C ATOM 498 C LYS A 31 8.948 4.275 3.394 1.00 0.00 C ATOM 499 O LYS A 31 9.428 3.432 2.636 1.00 0.00 O ATOM 500 CB LYS A 31 9.310 6.566 2.439 1.00 0.00 C ATOM 501 CG LYS A 31 10.300 6.895 3.543 1.00 0.00 C ATOM 502 CD LYS A 31 11.372 7.860 3.064 1.00 0.00 C ATOM 503 CE LYS A 31 12.389 8.149 4.156 1.00 0.00 C ATOM 504 NZ LYS A 31 13.647 8.726 3.608 1.00 0.00 N ATOM 0 H LYS A 31 7.511 7.052 4.062 1.00 0.00 H new ATOM 0 HA LYS A 31 7.693 5.239 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.857 6.202 1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.801 7.481 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.770 7.330 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.768 5.977 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.879 7.440 2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.907 8.792 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.958 8.841 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.616 7.228 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.313 8.908 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.073 8.055 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.435 9.618 3.118 1.00 0.00 H new ATOM 518 N GLU A 32 8.991 4.162 4.719 1.00 0.00 N ATOM 519 CA GLU A 32 9.620 3.015 5.364 1.00 0.00 C ATOM 520 C GLU A 32 8.610 1.895 5.591 1.00 0.00 C ATOM 521 O GLU A 32 8.964 0.716 5.575 1.00 0.00 O ATOM 522 CB GLU A 32 10.259 3.428 6.694 1.00 0.00 C ATOM 523 CG GLU A 32 9.256 3.862 7.753 1.00 0.00 C ATOM 524 CD GLU A 32 9.643 3.398 9.144 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.559 4.004 9.738 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.030 2.429 9.639 1.00 0.00 O ATOM 0 H GLU A 32 8.599 4.848 5.364 1.00 0.00 H new ATOM 0 HA GLU A 32 10.401 2.644 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.842 2.592 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.957 4.245 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.173 4.949 7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.272 3.465 7.502 1.00 0.00 H new ATOM 533 N LEU A 33 7.352 2.269 5.798 1.00 0.00 N ATOM 534 CA LEU A 33 6.296 1.290 6.024 1.00 0.00 C ATOM 535 C LEU A 33 5.698 0.812 4.702 1.00 0.00 C ATOM 536 O LEU A 33 5.125 -0.276 4.626 1.00 0.00 O ATOM 537 CB LEU A 33 5.205 1.878 6.927 1.00 0.00 C ATOM 538 CG LEU A 33 4.190 2.790 6.232 1.00 0.00 C ATOM 539 CD1 LEU A 33 3.088 1.968 5.579 1.00 0.00 C ATOM 540 CD2 LEU A 33 3.603 3.779 7.228 1.00 0.00 C ATOM 0 H LEU A 33 7.040 3.240 5.814 1.00 0.00 H new ATOM 0 HA LEU A 33 6.736 0.428 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.665 1.056 7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.685 2.442 7.726 1.00 0.00 H new ATOM 0 HG LEU A 33 4.704 3.349 5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.377 2.635 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.524 1.298 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.572 1.382 6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.883 4.422 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.103 3.235 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.402 4.390 7.648 1.00 0.00 H new ATOM 552 N LEU A 34 5.836 1.628 3.660 1.00 0.00 N ATOM 553 CA LEU A 34 5.312 1.283 2.344 1.00 0.00 C ATOM 554 C LEU A 34 6.316 0.440 1.562 1.00 0.00 C ATOM 555 O LEU A 34 5.938 -0.362 0.710 1.00 0.00 O ATOM 556 CB LEU A 34 4.972 2.550 1.554 1.00 0.00 C ATOM 557 CG LEU A 34 3.911 3.448 2.191 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.873 4.802 1.500 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.544 2.782 2.131 1.00 0.00 C ATOM 0 H LEU A 34 6.306 2.532 3.703 1.00 0.00 H new ATOM 0 HA LEU A 34 4.403 0.698 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.884 3.131 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.630 2.259 0.561 1.00 0.00 H new ATOM 0 HG LEU A 34 4.175 3.603 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.112 5.427 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.846 5.285 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.634 4.666 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.801 3.435 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.274 2.598 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.577 1.835 2.670 1.00 0.00 H new ATOM 571 N GLU A 35 7.599 0.631 1.858 1.00 0.00 N ATOM 572 CA GLU A 35 8.660 -0.110 1.182 1.00 0.00 C ATOM 573 C GLU A 35 8.992 -1.410 1.914 1.00 0.00 C ATOM 574 O GLU A 35 9.804 -2.205 1.439 1.00 0.00 O ATOM 575 CB GLU A 35 9.916 0.756 1.067 1.00 0.00 C ATOM 576 CG GLU A 35 9.752 1.946 0.135 1.00 0.00 C ATOM 577 CD GLU A 35 10.409 1.724 -1.213 1.00 0.00 C ATOM 578 OE1 GLU A 35 10.404 0.570 -1.693 1.00 0.00 O ATOM 579 OE2 GLU A 35 10.929 2.702 -1.788 1.00 0.00 O ATOM 0 H GLU A 35 7.929 1.292 2.561 1.00 0.00 H new ATOM 0 HA GLU A 35 8.302 -0.366 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.190 1.117 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.742 0.139 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.690 2.145 -0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.181 2.832 0.603 1.00 0.00 H new ATOM 586 N THR A 36 8.369 -1.625 3.071 1.00 0.00 N ATOM 587 CA THR A 36 8.613 -2.833 3.852 1.00 0.00 C ATOM 588 C THR A 36 8.265 -4.084 3.050 1.00 0.00 C ATOM 589 O THR A 36 8.980 -5.085 3.105 1.00 0.00 O ATOM 590 CB THR A 36 7.800 -2.801 5.147 1.00 0.00 C ATOM 591 OG1 THR A 36 8.062 -3.951 5.931 1.00 0.00 O ATOM 592 CG2 THR A 36 6.306 -2.733 4.920 1.00 0.00 C ATOM 0 H THR A 36 7.695 -0.981 3.486 1.00 0.00 H new ATOM 0 HA THR A 36 9.675 -2.866 4.097 1.00 0.00 H new ATOM 0 HB THR A 36 8.113 -1.891 5.659 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.534 -3.912 6.756 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.792 -2.713 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.064 -1.829 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.984 -3.607 4.354 1.00 0.00 H new ATOM 600 N TYR A 37 7.167 -4.020 2.304 1.00 0.00 N ATOM 601 CA TYR A 37 6.728 -5.147 1.490 1.00 0.00 C ATOM 602 C TYR A 37 6.498 -6.388 2.349 1.00 0.00 C ATOM 603 O TYR A 37 6.906 -7.491 1.987 1.00 0.00 O ATOM 604 CB TYR A 37 7.760 -5.450 0.402 1.00 0.00 C ATOM 605 CG TYR A 37 7.569 -4.641 -0.861 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.833 -3.276 -0.881 1.00 0.00 C ATOM 607 CD2 TYR A 37 7.125 -5.239 -2.034 1.00 0.00 C ATOM 608 CE1 TYR A 37 7.660 -2.533 -2.033 1.00 0.00 C ATOM 609 CE2 TYR A 37 6.950 -4.502 -3.190 1.00 0.00 C ATOM 610 CZ TYR A 37 7.220 -3.150 -3.183 1.00 0.00 C ATOM 611 OH TYR A 37 7.046 -2.413 -4.332 1.00 0.00 O ATOM 0 H TYR A 37 6.565 -3.199 2.247 1.00 0.00 H new ATOM 0 HA TYR A 37 5.783 -4.874 1.020 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.758 -5.259 0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.712 -6.510 0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.179 -2.789 0.019 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.913 -6.298 -2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.869 -1.473 -2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.604 -4.982 -4.093 1.00 0.00 H new ATOM 0 HH TYR A 37 7.500 -2.858 -5.078 1.00 0.00 H new ATOM 621 N GLN A 38 5.839 -6.200 3.490 1.00 0.00 N ATOM 622 CA GLN A 38 5.555 -7.305 4.401 1.00 0.00 C ATOM 623 C GLN A 38 4.781 -8.411 3.690 1.00 0.00 C ATOM 624 O GLN A 38 5.019 -9.596 3.918 1.00 0.00 O ATOM 625 CB GLN A 38 4.761 -6.806 5.609 1.00 0.00 C ATOM 626 CG GLN A 38 3.599 -5.895 5.241 1.00 0.00 C ATOM 627 CD GLN A 38 2.646 -5.672 6.396 1.00 0.00 C ATOM 628 OE1 GLN A 38 2.470 -4.547 6.864 1.00 0.00 O ATOM 629 NE2 GLN A 38 2.022 -6.748 6.865 1.00 0.00 N ATOM 0 H GLN A 38 5.492 -5.294 3.805 1.00 0.00 H new ATOM 0 HA GLN A 38 6.505 -7.714 4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.378 -7.664 6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.433 -6.270 6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.988 -4.934 4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.053 -6.329 4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.197 -7.662 6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.368 -6.660 7.643 1.00 0.00 H new ATOM 638 N ARG A 39 3.855 -8.010 2.824 1.00 0.00 N ATOM 639 CA ARG A 39 3.046 -8.961 2.071 1.00 0.00 C ATOM 640 C ARG A 39 3.151 -8.678 0.572 1.00 0.00 C ATOM 641 O ARG A 39 3.726 -7.668 0.169 1.00 0.00 O ATOM 642 CB ARG A 39 1.585 -8.890 2.530 1.00 0.00 C ATOM 643 CG ARG A 39 0.920 -7.552 2.254 1.00 0.00 C ATOM 644 CD ARG A 39 -0.440 -7.453 2.930 1.00 0.00 C ATOM 645 NE ARG A 39 -0.407 -6.572 4.097 1.00 0.00 N ATOM 646 CZ ARG A 39 -0.359 -5.245 4.022 1.00 0.00 C ATOM 647 NH1 ARG A 39 -0.334 -4.639 2.841 1.00 0.00 N ATOM 648 NH2 ARG A 39 -0.335 -4.518 5.131 1.00 0.00 N ATOM 0 H ARG A 39 3.647 -7.031 2.627 1.00 0.00 H new ATOM 0 HA ARG A 39 3.421 -9.967 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.019 -9.676 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.540 -9.094 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.563 -6.746 2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.803 -7.418 1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.174 -7.081 2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.767 -8.447 3.235 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.422 -7.000 5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.352 -5.192 1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.297 -3.621 2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.353 -4.977 6.042 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.298 -3.500 5.073 1.00 0.00 H new ATOM 662 N PRO A 40 2.613 -9.570 -0.278 1.00 0.00 N ATOM 663 CA PRO A 40 2.666 -9.403 -1.737 1.00 0.00 C ATOM 664 C PRO A 40 1.914 -8.159 -2.212 1.00 0.00 C ATOM 665 O PRO A 40 0.852 -8.262 -2.826 1.00 0.00 O ATOM 666 CB PRO A 40 1.998 -10.674 -2.276 1.00 0.00 C ATOM 667 CG PRO A 40 2.031 -11.643 -1.143 1.00 0.00 C ATOM 668 CD PRO A 40 1.928 -10.814 0.103 1.00 0.00 C ATOM 0 HA PRO A 40 3.689 -9.266 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.975 -10.476 -2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.533 -11.063 -3.143 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.206 -12.353 -1.210 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.953 -12.224 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.891 -10.635 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.410 -11.298 0.952 1.00 0.00 H new ATOM 676 N PHE A 41 2.477 -6.988 -1.930 1.00 0.00 N ATOM 677 CA PHE A 41 1.864 -5.727 -2.333 1.00 0.00 C ATOM 678 C PHE A 41 2.919 -4.761 -2.868 1.00 0.00 C ATOM 679 O PHE A 41 4.035 -4.700 -2.355 1.00 0.00 O ATOM 680 CB PHE A 41 1.110 -5.096 -1.154 1.00 0.00 C ATOM 681 CG PHE A 41 1.995 -4.394 -0.159 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.598 -5.099 0.869 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.220 -3.030 -0.253 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.410 -4.458 1.786 1.00 0.00 C ATOM 685 CE2 PHE A 41 3.030 -2.383 0.663 1.00 0.00 C ATOM 686 CZ PHE A 41 3.625 -3.099 1.682 1.00 0.00 C ATOM 0 H PHE A 41 3.357 -6.886 -1.424 1.00 0.00 H new ATOM 0 HA PHE A 41 1.151 -5.933 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.383 -4.383 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.549 -5.875 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.432 -6.163 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.758 -2.466 -1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.875 -5.020 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.197 -1.319 0.581 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.258 -2.596 2.398 1.00 0.00 H new ATOM 696 N LYS A 42 2.556 -4.010 -3.902 1.00 0.00 N ATOM 697 CA LYS A 42 3.474 -3.049 -4.505 1.00 0.00 C ATOM 698 C LYS A 42 2.888 -1.641 -4.472 1.00 0.00 C ATOM 699 O LYS A 42 1.712 -1.456 -4.159 1.00 0.00 O ATOM 700 CB LYS A 42 3.789 -3.449 -5.947 1.00 0.00 C ATOM 701 CG LYS A 42 4.859 -4.523 -6.060 1.00 0.00 C ATOM 702 CD LYS A 42 4.766 -5.265 -7.384 1.00 0.00 C ATOM 703 CE LYS A 42 6.133 -5.747 -7.847 1.00 0.00 C ATOM 704 NZ LYS A 42 6.620 -6.896 -7.034 1.00 0.00 N ATOM 0 H LYS A 42 1.635 -4.047 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 42 4.396 -3.052 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.876 -3.806 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.113 -2.566 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.845 -4.067 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.754 -5.230 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.094 -6.117 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.334 -4.610 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.079 -6.041 -8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.848 -4.927 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.554 -7.195 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.696 -6.609 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.951 -7.688 -7.116 1.00 0.00 H new ATOM 718 N LEU A 43 3.716 -0.654 -4.794 1.00 0.00 N ATOM 719 CA LEU A 43 3.280 0.737 -4.800 1.00 0.00 C ATOM 720 C LEU A 43 3.872 1.491 -5.985 1.00 0.00 C ATOM 721 O LEU A 43 5.044 1.317 -6.322 1.00 0.00 O ATOM 722 CB LEU A 43 3.682 1.426 -3.496 1.00 0.00 C ATOM 723 CG LEU A 43 2.749 1.167 -2.312 1.00 0.00 C ATOM 724 CD1 LEU A 43 3.174 -0.086 -1.565 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.729 2.367 -1.378 1.00 0.00 C ATOM 0 H LEU A 43 4.693 -0.791 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 43 2.194 0.747 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.686 1.100 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.732 2.501 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 43 1.740 1.013 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.500 -0.256 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.137 -0.942 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.191 0.039 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.060 2.166 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.735 2.552 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.377 3.245 -1.921 1.00 0.00 H new ATOM 737 N GLU A 44 3.058 2.334 -6.610 1.00 0.00 N ATOM 738 CA GLU A 44 3.504 3.121 -7.753 1.00 0.00 C ATOM 739 C GLU A 44 3.725 4.574 -7.346 1.00 0.00 C ATOM 740 O GLU A 44 2.802 5.388 -7.380 1.00 0.00 O ATOM 741 CB GLU A 44 2.482 3.043 -8.890 1.00 0.00 C ATOM 742 CG GLU A 44 1.905 1.652 -9.098 1.00 0.00 C ATOM 743 CD GLU A 44 0.773 1.635 -10.105 1.00 0.00 C ATOM 744 OE1 GLU A 44 0.929 2.246 -11.184 1.00 0.00 O ATOM 745 OE2 GLU A 44 -0.269 1.011 -9.816 1.00 0.00 O ATOM 0 H GLU A 44 2.086 2.490 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 44 4.449 2.708 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.668 3.737 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.955 3.373 -9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.696 0.981 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.544 1.266 -8.145 1.00 0.00 H new ATOM 752 N PHE A 45 4.954 4.890 -6.953 1.00 0.00 N ATOM 753 CA PHE A 45 5.299 6.242 -6.529 1.00 0.00 C ATOM 754 C PHE A 45 5.052 7.247 -7.649 1.00 0.00 C ATOM 755 O PHE A 45 5.665 7.171 -8.714 1.00 0.00 O ATOM 756 CB PHE A 45 6.765 6.304 -6.090 1.00 0.00 C ATOM 757 CG PHE A 45 7.191 5.139 -5.242 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.384 4.682 -4.212 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.399 4.502 -5.475 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.773 3.611 -3.432 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.794 3.430 -4.697 1.00 0.00 C ATOM 762 CZ PHE A 45 7.980 2.984 -3.673 1.00 0.00 C ATOM 0 H PHE A 45 5.729 4.227 -6.919 1.00 0.00 H new ATOM 0 HA PHE A 45 4.660 6.502 -5.685 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.399 6.348 -6.976 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.930 7.227 -5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.440 5.169 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.039 4.847 -6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.134 3.264 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.738 2.941 -4.889 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.287 2.147 -3.063 1.00 0.00 H new ATOM 772 N LYS A 46 4.149 8.189 -7.398 1.00 0.00 N ATOM 773 CA LYS A 46 3.818 9.214 -8.380 1.00 0.00 C ATOM 774 C LYS A 46 4.849 10.337 -8.356 1.00 0.00 C ATOM 775 O LYS A 46 5.185 10.910 -9.394 1.00 0.00 O ATOM 776 CB LYS A 46 2.422 9.779 -8.109 1.00 0.00 C ATOM 777 CG LYS A 46 1.296 8.824 -8.478 1.00 0.00 C ATOM 778 CD LYS A 46 1.301 8.496 -9.963 1.00 0.00 C ATOM 779 CE LYS A 46 1.177 9.750 -10.816 1.00 0.00 C ATOM 780 NZ LYS A 46 2.434 10.041 -11.560 1.00 0.00 N ATOM 0 H LYS A 46 3.633 8.263 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 46 3.828 8.755 -9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.341 10.032 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.299 10.706 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.395 7.904 -7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.338 9.268 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.223 7.973 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.477 7.819 -10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.356 9.629 -11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.927 10.599 -10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.309 10.902 -12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.212 10.182 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.660 9.242 -12.186 1.00 0.00 H new ATOM 901 N PHE A 54 1.798 17.668 -1.174 1.00 0.00 N ATOM 902 CA PHE A 54 0.959 16.483 -1.316 1.00 0.00 C ATOM 903 C PHE A 54 1.753 15.331 -1.912 1.00 0.00 C ATOM 904 O PHE A 54 2.080 15.337 -3.098 1.00 0.00 O ATOM 905 CB PHE A 54 -0.261 16.783 -2.192 1.00 0.00 C ATOM 906 CG PHE A 54 -0.735 18.208 -2.106 1.00 0.00 C ATOM 907 CD1 PHE A 54 -0.227 19.174 -2.961 1.00 0.00 C ATOM 908 CD2 PHE A 54 -1.687 18.581 -1.171 1.00 0.00 C ATOM 909 CE1 PHE A 54 -0.660 20.483 -2.885 1.00 0.00 C ATOM 910 CE2 PHE A 54 -2.124 19.889 -1.090 1.00 0.00 C ATOM 911 CZ PHE A 54 -1.611 20.841 -1.948 1.00 0.00 C ATOM 0 HA PHE A 54 0.614 16.196 -0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.017 16.553 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.077 16.121 -1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.516 18.899 -3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.092 17.840 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.256 21.226 -3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.866 20.166 -0.356 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.952 21.864 -1.887 1.00 0.00 H new ATOM 921 N TYR A 55 2.061 14.343 -1.081 1.00 0.00 N ATOM 922 CA TYR A 55 2.817 13.184 -1.529 1.00 0.00 C ATOM 923 C TYR A 55 1.885 12.106 -2.068 1.00 0.00 C ATOM 924 O TYR A 55 1.155 11.467 -1.310 1.00 0.00 O ATOM 925 CB TYR A 55 3.657 12.622 -0.382 1.00 0.00 C ATOM 926 CG TYR A 55 4.763 13.548 0.072 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.474 14.722 0.756 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.094 13.247 -0.183 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.483 15.570 1.173 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.109 14.089 0.231 1.00 0.00 C ATOM 931 CZ TYR A 55 6.798 15.250 0.909 1.00 0.00 C ATOM 932 OH TYR A 55 7.805 16.091 1.322 1.00 0.00 O ATOM 0 H TYR A 55 1.799 14.322 -0.095 1.00 0.00 H new ATOM 0 HA TYR A 55 3.481 13.502 -2.333 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.004 12.408 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.094 11.674 -0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.445 14.976 0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.341 12.339 -0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.242 16.479 1.703 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.139 13.840 0.025 1.00 0.00 H new ATOM 0 HH TYR A 55 8.672 15.718 1.057 1.00 0.00 H new ATOM 942 N SER A 56 1.917 11.907 -3.379 1.00 0.00 N ATOM 943 CA SER A 56 1.076 10.904 -4.020 1.00 0.00 C ATOM 944 C SER A 56 1.759 9.539 -4.030 1.00 0.00 C ATOM 945 O SER A 56 2.944 9.429 -4.343 1.00 0.00 O ATOM 946 CB SER A 56 0.739 11.329 -5.452 1.00 0.00 C ATOM 947 OG SER A 56 0.254 10.234 -6.209 1.00 0.00 O ATOM 0 H SER A 56 2.516 12.427 -4.020 1.00 0.00 H new ATOM 0 HA SER A 56 0.154 10.822 -3.445 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.009 12.121 -5.433 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.627 11.741 -5.931 1.00 0.00 H new ATOM 0 HG SER A 56 -0.665 10.416 -6.496 1.00 0.00 H new ATOM 953 N PHE A 57 1.001 8.503 -3.686 1.00 0.00 N ATOM 954 CA PHE A 57 1.532 7.144 -3.656 1.00 0.00 C ATOM 955 C PHE A 57 0.452 6.132 -4.025 1.00 0.00 C ATOM 956 O PHE A 57 -0.654 6.164 -3.484 1.00 0.00 O ATOM 957 CB PHE A 57 2.093 6.824 -2.268 1.00 0.00 C ATOM 958 CG PHE A 57 3.490 7.331 -2.053 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.726 8.676 -1.827 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.569 6.460 -2.079 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.012 9.145 -1.628 1.00 0.00 C ATOM 962 CE2 PHE A 57 5.856 6.922 -1.881 1.00 0.00 C ATOM 963 CZ PHE A 57 6.077 8.266 -1.655 1.00 0.00 C ATOM 0 H PHE A 57 0.018 8.578 -3.424 1.00 0.00 H new ATOM 0 HA PHE A 57 2.335 7.077 -4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.438 7.257 -1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.081 5.744 -2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.896 9.367 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.401 5.408 -2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.183 10.197 -1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.688 6.233 -1.903 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.082 8.630 -1.499 1.00 0.00 H new ATOM 973 N ASN A 58 0.779 5.233 -4.948 1.00 0.00 N ATOM 974 CA ASN A 58 -0.165 4.210 -5.384 1.00 0.00 C ATOM 975 C ASN A 58 0.061 2.906 -4.627 1.00 0.00 C ATOM 976 O ASN A 58 1.113 2.702 -4.023 1.00 0.00 O ATOM 977 CB ASN A 58 -0.034 3.975 -6.891 1.00 0.00 C ATOM 978 CG ASN A 58 -1.370 4.053 -7.606 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.350 3.441 -7.183 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.413 4.810 -8.697 1.00 0.00 N ATOM 0 H ASN A 58 1.689 5.192 -5.408 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.174 4.562 -5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.645 4.715 -7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.412 2.996 -7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.284 4.901 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.575 5.300 -9.011 1.00 0.00 H new ATOM 987 N VAL A 59 -0.935 2.024 -4.664 1.00 0.00 N ATOM 988 CA VAL A 59 -0.841 0.741 -3.975 1.00 0.00 C ATOM 989 C VAL A 59 -1.465 -0.380 -4.798 1.00 0.00 C ATOM 990 O VAL A 59 -2.679 -0.415 -4.996 1.00 0.00 O ATOM 991 CB VAL A 59 -1.528 0.788 -2.596 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.100 -0.397 -1.746 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.224 2.100 -1.887 1.00 0.00 C ATOM 0 H VAL A 59 -1.813 2.174 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 59 0.222 0.540 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.606 0.728 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.595 -0.347 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.378 -1.324 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.020 -0.371 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.719 2.112 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.147 2.197 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.588 2.932 -2.490 1.00 0.00 H new ATOM 1003 N SER A 60 -0.628 -1.297 -5.269 1.00 0.00 N ATOM 1004 CA SER A 60 -1.095 -2.426 -6.064 1.00 0.00 C ATOM 1005 C SER A 60 -1.064 -3.710 -5.240 1.00 0.00 C ATOM 1006 O SER A 60 0.005 -4.215 -4.899 1.00 0.00 O ATOM 1007 CB SER A 60 -0.232 -2.586 -7.318 1.00 0.00 C ATOM 1008 OG SER A 60 -0.949 -2.207 -8.481 1.00 0.00 O ATOM 0 H SER A 60 0.380 -1.280 -5.113 1.00 0.00 H new ATOM 0 HA SER A 60 -2.124 -2.231 -6.367 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.666 -1.976 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.094 -3.622 -7.409 1.00 0.00 H new ATOM 0 HG SER A 60 -0.376 -2.316 -9.269 1.00 0.00 H new ATOM 1014 N MET A 61 -2.244 -4.228 -4.916 1.00 0.00 N ATOM 1015 CA MET A 61 -2.353 -5.449 -4.125 1.00 0.00 C ATOM 1016 C MET A 61 -3.370 -6.408 -4.740 1.00 0.00 C ATOM 1017 O MET A 61 -4.287 -5.988 -5.445 1.00 0.00 O ATOM 1018 CB MET A 61 -2.755 -5.106 -2.687 1.00 0.00 C ATOM 1019 CG MET A 61 -3.027 -6.324 -1.816 1.00 0.00 C ATOM 1020 SD MET A 61 -1.539 -7.282 -1.476 1.00 0.00 S ATOM 1021 CE MET A 61 -2.194 -8.949 -1.521 1.00 0.00 C ATOM 0 H MET A 61 -3.139 -3.821 -5.189 1.00 0.00 H new ATOM 0 HA MET A 61 -1.381 -5.942 -4.118 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.962 -4.514 -2.230 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.647 -4.480 -2.709 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.469 -6.000 -0.874 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.760 -6.962 -2.309 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.791 -9.521 -0.685 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.281 -8.915 -1.447 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.909 -9.427 -2.458 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.198 -7.698 -4.468 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.099 -8.717 -4.993 1.00 0.00 C ATOM 1033 C GLU A 62 -5.428 -8.705 -4.246 1.00 0.00 C ATOM 1034 O GLU A 62 -5.514 -9.158 -3.105 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.455 -10.101 -4.888 1.00 0.00 C ATOM 1036 CG GLU A 62 -3.993 -11.101 -5.899 1.00 0.00 C ATOM 1037 CD GLU A 62 -5.248 -11.801 -5.418 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -5.162 -12.566 -4.435 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -6.319 -11.583 -6.024 1.00 0.00 O ATOM 0 H GLU A 62 -2.443 -8.062 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.290 -8.491 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.378 -10.003 -5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.615 -10.491 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.206 -10.586 -6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.226 -11.845 -6.112 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.463 -8.185 -4.897 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.788 -8.114 -4.295 1.00 0.00 C ATOM 1048 C VAL A 63 -8.636 -9.317 -4.696 1.00 0.00 C ATOM 1049 O VAL A 63 -8.610 -9.749 -5.849 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.519 -6.819 -4.697 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.896 -6.749 -4.050 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.685 -5.602 -4.321 1.00 0.00 C ATOM 0 H VAL A 63 -6.409 -7.806 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.648 -8.118 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.656 -6.824 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.392 -5.826 -4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.493 -7.602 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.790 -6.769 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.214 -4.694 -4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.516 -5.595 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.726 -5.644 -4.838 1.00 0.00 H new ATOM 1062 N SER A 64 -9.384 -9.850 -3.737 1.00 0.00 N ATOM 1063 CA SER A 64 -10.243 -11.005 -3.984 1.00 0.00 C ATOM 1064 C SER A 64 -11.717 -10.623 -3.880 1.00 0.00 C ATOM 1065 O SER A 64 -12.571 -11.227 -4.528 1.00 0.00 O ATOM 1066 CB SER A 64 -9.923 -12.122 -2.991 1.00 0.00 C ATOM 1067 OG SER A 64 -8.871 -12.943 -3.468 1.00 0.00 O ATOM 0 H SER A 64 -9.414 -9.501 -2.779 1.00 0.00 H new ATOM 0 HA SER A 64 -10.051 -11.359 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.644 -11.690 -2.030 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.813 -12.728 -2.821 1.00 0.00 H new ATOM 0 HG SER A 64 -8.684 -13.649 -2.814 1.00 0.00 H new ATOM 1073 N ASN A 65 -12.010 -9.620 -3.059 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.382 -9.162 -2.868 1.00 0.00 C ATOM 1075 C ASN A 65 -13.415 -7.851 -2.088 1.00 0.00 C ATOM 1076 O ASN A 65 -12.372 -7.286 -1.758 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.206 -10.226 -2.137 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.402 -10.974 -1.088 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -12.904 -10.248 -0.095 1.00 0.00 O flip ATOM 1080 ND2 ASN A 65 -13.232 -12.190 -1.171 1.00 0.00 N flip ATOM 0 H ASN A 65 -11.315 -9.108 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.819 -8.991 -3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.064 -9.751 -1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.598 -10.938 -2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.633 -12.709 -1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.690 -12.679 -0.459 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.620 -7.370 -1.796 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.791 -6.125 -1.054 1.00 0.00 C ATOM 1089 C GLU A 66 -14.075 -6.190 0.292 1.00 0.00 C ATOM 1090 O GLU A 66 -13.507 -5.198 0.750 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.279 -5.835 -0.841 1.00 0.00 C ATOM 1092 CG GLU A 66 -16.546 -4.595 -0.001 1.00 0.00 C ATOM 1093 CD GLU A 66 -17.853 -3.917 -0.364 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -18.905 -4.337 0.161 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -17.823 -2.965 -1.172 1.00 0.00 O ATOM 0 H GLU A 66 -15.494 -7.824 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.350 -5.318 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.760 -5.716 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.743 -6.696 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.565 -4.872 1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.726 -3.889 -0.131 1.00 0.00 H new ATOM 1102 N SER A 67 -14.108 -7.361 0.920 1.00 0.00 N ATOM 1103 CA SER A 67 -13.462 -7.558 2.215 1.00 0.00 C ATOM 1104 C SER A 67 -12.043 -6.997 2.209 1.00 0.00 C ATOM 1105 O SER A 67 -11.665 -6.223 3.090 1.00 0.00 O ATOM 1106 CB SER A 67 -13.436 -9.044 2.575 1.00 0.00 C ATOM 1107 OG SER A 67 -13.679 -9.240 3.957 1.00 0.00 O ATOM 0 H SER A 67 -14.576 -8.190 0.553 1.00 0.00 H new ATOM 0 HA SER A 67 -14.041 -7.020 2.966 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.188 -9.576 1.992 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.468 -9.469 2.309 1.00 0.00 H new ATOM 0 HG SER A 67 -13.659 -10.199 4.160 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.263 -7.387 1.206 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.890 -6.916 1.085 1.00 0.00 C ATOM 1115 C GLU A 68 -9.860 -5.424 0.783 1.00 0.00 C ATOM 1116 O GLU A 68 -9.197 -4.657 1.475 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.146 -7.684 -0.011 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.521 -9.156 -0.092 1.00 0.00 C ATOM 1119 CD GLU A 68 -8.310 -10.060 -0.215 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.371 -9.699 -0.954 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -8.301 -11.131 0.431 1.00 0.00 O ATOM 0 H GLU A 68 -11.558 -8.026 0.468 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.389 -7.094 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.349 -7.214 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.073 -7.601 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.087 -9.432 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.176 -9.314 -0.949 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.589 -5.020 -0.255 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.652 -3.616 -0.657 1.00 0.00 C ATOM 1130 C ARG A 69 -10.826 -2.699 0.552 1.00 0.00 C ATOM 1131 O ARG A 69 -10.353 -1.562 0.556 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.799 -3.398 -1.644 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.674 -2.114 -2.448 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.165 -2.298 -3.874 1.00 0.00 C ATOM 1135 NE ARG A 69 -11.290 -3.179 -4.645 1.00 0.00 N ATOM 1136 CZ ARG A 69 -11.276 -3.230 -5.975 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -12.085 -2.455 -6.685 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -10.448 -4.059 -6.596 1.00 0.00 N ATOM 0 H ARG A 69 -11.146 -5.647 -0.835 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.708 -3.366 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.842 -4.244 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.741 -3.383 -1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.248 -1.324 -1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.633 -1.791 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.174 -2.711 -3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -12.225 -1.327 -4.365 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.653 -3.790 -4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.723 -1.815 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.069 -2.499 -7.704 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.823 -4.656 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.436 -4.099 -7.615 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.504 -3.204 1.578 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.736 -2.432 2.793 1.00 0.00 C ATOM 1154 C ASN A 70 -10.502 -2.454 3.690 1.00 0.00 C ATOM 1155 O ASN A 70 -10.219 -1.488 4.397 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.945 -2.984 3.552 1.00 0.00 C ATOM 1157 CG ASN A 70 -14.247 -2.353 3.101 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -15.067 -1.942 3.922 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.445 -2.274 1.790 1.00 0.00 N ATOM 0 H ASN A 70 -11.902 -4.143 1.592 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.939 -1.400 2.507 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.999 -4.063 3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.811 -2.810 4.620 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.304 -1.860 1.428 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.738 -2.627 1.145 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.772 -3.563 3.650 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.565 -3.714 4.452 1.00 0.00 C ATOM 1168 C GLU A 71 -7.375 -3.048 3.768 1.00 0.00 C ATOM 1169 O GLU A 71 -6.497 -2.490 4.430 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.269 -5.197 4.692 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.894 -5.517 6.129 1.00 0.00 C ATOM 1172 CD GLU A 71 -8.589 -6.758 6.651 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -8.511 -7.809 5.981 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -9.211 -6.681 7.732 1.00 0.00 O ATOM 0 H GLU A 71 -9.996 -4.371 3.070 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.730 -3.225 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.145 -5.783 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.456 -5.508 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.815 -5.654 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.148 -4.669 6.764 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.352 -3.107 2.440 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.272 -2.508 1.666 1.00 0.00 C ATOM 1183 C ILE A 72 -6.336 -0.986 1.718 1.00 0.00 C ATOM 1184 O ILE A 72 -5.312 -0.308 1.626 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.310 -2.960 0.191 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.480 -4.481 0.100 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -5.045 -2.511 -0.526 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.139 -5.058 -1.258 1.00 0.00 C ATOM 0 H ILE A 72 -8.070 -3.564 1.878 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.340 -2.848 2.117 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.166 -2.495 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.849 -4.953 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.511 -4.736 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.082 -2.835 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.971 -1.424 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.175 -2.952 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.285 -6.138 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.788 -4.616 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.099 -4.836 -1.497 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.546 -0.452 1.863 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.740 0.994 1.923 1.00 0.00 C ATOM 1202 C PHE A 73 -7.442 1.530 3.320 1.00 0.00 C ATOM 1203 O PHE A 73 -6.757 2.541 3.473 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.173 1.353 1.523 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.269 2.616 0.714 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -9.085 2.590 -0.660 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -9.542 3.827 1.328 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -9.174 3.749 -1.406 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -9.632 4.991 0.585 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.447 4.951 -0.783 1.00 0.00 C ATOM 0 H PHE A 73 -8.405 -0.997 1.941 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.045 1.456 1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.599 0.530 0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.777 1.461 2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.870 1.653 -1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.686 3.863 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.030 3.715 -2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.847 5.930 1.074 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.516 5.858 -1.365 1.00 0.00 H new ATOM 1220 N GLN A 74 -7.960 0.847 4.336 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.748 1.259 5.719 1.00 0.00 C ATOM 1222 C GLN A 74 -6.297 1.046 6.136 1.00 0.00 C ATOM 1223 O GLN A 74 -5.715 1.870 6.841 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.680 0.486 6.653 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.391 -1.006 6.703 1.00 0.00 C ATOM 1226 CD GLN A 74 -9.537 -1.802 7.295 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -9.239 -2.601 8.311 1.00 0.00 O flip ATOM 1228 NE2 GLN A 74 -10.679 -1.700 6.842 1.00 0.00 N flip ATOM 0 H GLN A 74 -8.529 0.007 4.228 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.974 2.323 5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.596 0.898 7.659 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.710 0.637 6.331 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.186 -1.367 5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.491 -1.178 7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.863 -1.073 6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.440 -2.243 7.250 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.717 -0.067 5.697 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.333 -0.388 6.027 1.00 0.00 C ATOM 1239 C LYS A 75 -3.386 0.684 5.501 1.00 0.00 C ATOM 1240 O LYS A 75 -2.530 1.183 6.232 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.952 -1.755 5.455 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.501 -2.925 6.255 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.615 -3.248 7.449 1.00 0.00 C ATOM 1244 CE LYS A 75 -4.439 -3.553 8.692 1.00 0.00 C ATOM 1245 NZ LYS A 75 -4.188 -4.930 9.200 1.00 0.00 N ATOM 0 H LYS A 75 -6.183 -0.761 5.113 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.243 -0.423 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.316 -1.824 4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.866 -1.832 5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.508 -2.690 6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.581 -3.801 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.982 -4.103 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.952 -2.406 7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.201 -2.829 9.472 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.498 -3.438 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.768 -5.099 10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.439 -5.622 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.182 -5.032 9.443 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.543 1.036 4.228 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.700 2.053 3.611 1.00 0.00 C ATOM 1261 C ILE A 76 -2.937 3.417 4.249 1.00 0.00 C ATOM 1262 O ILE A 76 -2.010 4.213 4.401 1.00 0.00 O ATOM 1263 CB ILE A 76 -2.951 2.149 2.092 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -1.960 3.121 1.448 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.383 2.584 1.812 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.580 2.533 1.253 1.00 0.00 C ATOM 0 H ILE A 76 -4.244 0.633 3.606 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.665 1.753 3.776 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.801 1.162 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.351 3.439 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.882 4.013 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.541 2.646 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.074 1.857 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.561 3.561 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.070 3.276 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.169 2.241 2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.645 1.658 0.607 1.00 0.00 H new ATOM 1278 N SER A 77 -4.184 3.678 4.624 1.00 0.00 N ATOM 1279 CA SER A 77 -4.546 4.943 5.252 1.00 0.00 C ATOM 1280 C SER A 77 -4.648 4.789 6.766 1.00 0.00 C ATOM 1281 O SER A 77 -5.376 5.530 7.427 1.00 0.00 O ATOM 1282 CB SER A 77 -5.874 5.454 4.689 1.00 0.00 C ATOM 1283 OG SER A 77 -5.733 5.865 3.341 1.00 0.00 O ATOM 0 H SER A 77 -4.962 3.030 4.504 1.00 0.00 H new ATOM 0 HA SER A 77 -3.762 5.668 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.627 4.669 4.756 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.230 6.289 5.292 1.00 0.00 H new ATOM 0 HG SER A 77 -6.596 6.185 3.005 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.916 3.821 7.310 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.928 3.572 8.747 1.00 0.00 C ATOM 1291 C GLN A 78 -3.280 4.726 9.506 1.00 0.00 C ATOM 1292 O GLN A 78 -3.721 5.091 10.596 1.00 0.00 O ATOM 1293 CB GLN A 78 -3.198 2.265 9.064 1.00 0.00 C ATOM 1294 CG GLN A 78 -3.654 1.616 10.362 1.00 0.00 C ATOM 1295 CD GLN A 78 -3.690 0.102 10.274 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -4.759 -0.502 10.213 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -2.515 -0.518 10.266 1.00 0.00 N ATOM 0 H GLN A 78 -3.308 3.198 6.778 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.967 3.489 9.067 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.351 1.564 8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.127 2.461 9.121 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.984 1.914 11.168 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.647 1.985 10.620 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.652 0.024 10.318 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.476 -1.536 10.207 1.00 0.00 H new ATOM 1306 N LEU A 79 -2.232 5.297 8.922 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.523 6.410 9.541 1.00 0.00 C ATOM 1308 C LEU A 79 -2.386 7.669 9.544 1.00 0.00 C ATOM 1309 O LEU A 79 -3.533 7.647 9.101 1.00 0.00 O ATOM 1310 CB LEU A 79 -0.208 6.679 8.806 1.00 0.00 C ATOM 1311 CG LEU A 79 1.006 5.925 9.350 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.385 6.449 10.727 1.00 0.00 C ATOM 1313 CD2 LEU A 79 0.723 4.432 9.407 1.00 0.00 C ATOM 0 H LEU A 79 -1.855 5.007 8.020 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.303 6.139 10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.337 6.418 7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.000 7.748 8.846 1.00 0.00 H new ATOM 0 HG LEU A 79 1.846 6.091 8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.251 5.901 11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.628 7.509 10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.548 6.312 11.411 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.597 3.911 9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.130 4.248 10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.498 4.066 8.405 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.823 8.764 10.044 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.540 10.033 10.104 1.00 0.00 C ATOM 1327 C ASP A 80 -1.919 11.053 9.157 1.00 0.00 C ATOM 1328 O ASP A 80 -1.950 12.257 9.417 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.535 10.578 11.534 1.00 0.00 C ATOM 1330 CG ASP A 80 -3.537 9.871 12.426 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -4.755 10.047 12.207 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -3.104 9.141 13.342 1.00 0.00 O ATOM 0 H ASP A 80 -0.873 8.798 10.413 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.570 9.856 9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.536 10.470 11.957 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.759 11.644 11.514 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.355 10.567 8.055 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.728 11.438 7.068 1.00 0.00 C ATOM 1339 C LYS A 81 -1.635 11.629 5.857 1.00 0.00 C ATOM 1340 O LYS A 81 -1.853 12.752 5.404 1.00 0.00 O ATOM 1341 CB LYS A 81 0.617 10.856 6.627 1.00 0.00 C ATOM 1342 CG LYS A 81 1.479 10.372 7.781 1.00 0.00 C ATOM 1343 CD LYS A 81 2.055 11.535 8.572 1.00 0.00 C ATOM 1344 CE LYS A 81 2.767 11.057 9.827 1.00 0.00 C ATOM 1345 NZ LYS A 81 2.622 12.024 10.951 1.00 0.00 N ATOM 0 H LYS A 81 -1.320 9.574 7.824 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.561 12.411 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.438 10.025 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.166 11.614 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.884 9.741 8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.291 9.755 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.753 12.092 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.254 12.222 8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.364 10.089 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.825 10.909 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.122 11.661 11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.029 12.940 10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.614 12.146 11.176 1.00 0.00 H new ATOM 1359 N VAL A 82 -2.157 10.524 5.335 1.00 0.00 N ATOM 1360 CA VAL A 82 -3.039 10.565 4.174 1.00 0.00 C ATOM 1361 C VAL A 82 -4.199 11.530 4.391 1.00 0.00 C ATOM 1362 O VAL A 82 -4.768 11.600 5.480 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.605 9.173 3.846 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -2.493 8.231 3.413 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -4.360 8.608 5.039 1.00 0.00 C ATOM 0 H VAL A 82 -1.984 9.587 5.699 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.433 10.912 3.337 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.306 9.273 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.914 7.252 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.003 8.631 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.764 8.135 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.753 7.623 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.684 8.523 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.185 9.273 5.296 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.541 12.277 3.348 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.629 13.241 3.420 1.00 0.00 C ATOM 1377 C VAL A 83 -6.617 13.037 2.275 1.00 0.00 C ATOM 1378 O VAL A 83 -7.832 13.075 2.477 1.00 0.00 O ATOM 1379 CB VAL A 83 -5.086 14.682 3.377 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -6.221 15.694 3.348 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -4.168 14.936 4.563 1.00 0.00 C ATOM 0 H VAL A 83 -4.078 12.232 2.440 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.146 13.082 4.366 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.510 14.802 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.809 16.703 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.835 15.527 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.834 15.579 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.792 15.958 4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.723 14.793 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.330 14.239 4.530 1.00 0.00 H new ATOM 1391 N GLN A 84 -6.092 12.824 1.074 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.928 12.616 -0.102 1.00 0.00 C ATOM 1393 C GLN A 84 -6.714 11.222 -0.683 1.00 0.00 C ATOM 1394 O GLN A 84 -5.585 10.824 -0.967 1.00 0.00 O ATOM 1395 CB GLN A 84 -6.625 13.676 -1.162 1.00 0.00 C ATOM 1396 CG GLN A 84 -7.863 14.193 -1.877 1.00 0.00 C ATOM 1397 CD GLN A 84 -8.187 15.629 -1.519 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -7.998 16.054 -0.379 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -8.680 16.386 -2.492 1.00 0.00 N ATOM 0 H GLN A 84 -5.089 12.791 0.889 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.970 12.705 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.112 14.514 -0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.939 13.256 -1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.714 14.116 -2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.714 13.559 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.821 15.993 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.918 17.361 -2.309 1.00 0.00 H new ATOM 1408 N THR A 85 -7.807 10.486 -0.857 1.00 0.00 N ATOM 1409 CA THR A 85 -7.741 9.136 -1.405 1.00 0.00 C ATOM 1410 C THR A 85 -8.492 9.053 -2.729 1.00 0.00 C ATOM 1411 O THR A 85 -9.525 9.697 -2.910 1.00 0.00 O ATOM 1412 CB THR A 85 -8.322 8.130 -0.411 1.00 0.00 C ATOM 1413 OG1 THR A 85 -9.733 8.238 -0.356 1.00 0.00 O ATOM 1414 CG2 THR A 85 -7.793 8.304 0.996 1.00 0.00 C ATOM 0 H THR A 85 -8.749 10.802 -0.626 1.00 0.00 H new ATOM 0 HA THR A 85 -6.694 8.893 -1.585 1.00 0.00 H new ATOM 0 HB THR A 85 -8.014 7.151 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.124 7.349 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.246 7.559 1.650 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.710 8.177 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.041 9.302 1.357 1.00 0.00 H new ATOM 1422 N LEU A 86 -7.966 8.254 -3.652 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.588 8.086 -4.961 1.00 0.00 C ATOM 1424 C LEU A 86 -8.837 6.611 -5.259 1.00 0.00 C ATOM 1425 O LEU A 86 -9.175 6.293 -6.418 1.00 0.00 O ATOM 1426 CB LEU A 86 -7.705 8.699 -6.050 1.00 0.00 C ATOM 1427 CG LEU A 86 -8.015 10.158 -6.390 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -7.720 11.059 -5.200 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -7.216 10.602 -7.607 1.00 0.00 C ATOM 1430 OXT LEU A 86 -8.691 5.788 -4.333 1.00 0.00 O ATOM 0 H LEU A 86 -7.112 7.713 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.548 8.602 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.664 8.629 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.805 8.102 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.076 10.238 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.947 12.093 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.335 10.756 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.667 10.975 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.448 11.642 -7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.151 10.506 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.476 9.976 -8.461 1.00 0.00 H new