USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 25 SER OG : rot 180:sc= -2.23! USER MOD Set 1.2: B 43 THR OG1 : rot 180:sc= -1.43 USER MOD Set 2.1: A 27 SER OG : rot 70:sc= 1.8 USER MOD Set 2.2: B 27 SER OG : rot 67:sc= 1.58 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= -2.24! USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.113) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00189 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -10.3! C(o=-10!,f=-17!) USER MOD Single : A 24 GLN : amide:sc= -0.263 K(o=-0.26,f=-1.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 38 THR OG1 : rot 38:sc= 0.884 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.226) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -11.2! C(o=-11!,f=-23!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.34) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -3.28! K(o=-3.3!,f=-2.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.115) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.012 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -10.3! C(o=-10!,f=-17!) USER MOD Single : B 24 GLN : amide:sc= -0.215 K(o=-0.22,f=-1.2!) USER MOD Single : B 29 THR OG1 : rot 180:sc= -0.464 USER MOD Single : B 38 THR OG1 : rot 30:sc= 0.883 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.228) USER MOD Single : B 51 CYS SG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= -11.6! C(o=-12!,f=-23!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.33) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -3.32! K(o=-3.3!,f=-2.1) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 14.752 -5.948 4.570 1.00 0.00 N ATOM 178 CA LYS A 13 14.769 -6.401 3.153 1.00 0.00 C ATOM 179 C LYS A 13 13.370 -6.248 2.560 1.00 0.00 C ATOM 180 O LYS A 13 12.499 -5.644 3.153 1.00 0.00 O ATOM 181 CB LYS A 13 15.156 -7.876 3.205 1.00 0.00 C ATOM 182 CG LYS A 13 16.638 -8.033 2.860 1.00 0.00 C ATOM 183 CD LYS A 13 16.849 -9.345 2.102 1.00 0.00 C ATOM 184 CE LYS A 13 18.231 -9.911 2.436 1.00 0.00 C ATOM 185 NZ LYS A 13 19.191 -9.018 1.728 1.00 0.00 N ATOM 0 HA LYS A 13 15.461 -5.824 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.959 -8.279 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.547 -8.447 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.972 -7.192 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.237 -8.026 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.075 -10.063 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.764 -9.175 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.409 -9.910 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.328 -10.943 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 20.137 -9.450 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.880 -8.884 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 19.227 -8.096 2.208 1.00 0.00 H new ATOM 199 N THR A 14 13.144 -6.791 1.400 1.00 0.00 N ATOM 200 CA THR A 14 11.802 -6.675 0.776 1.00 0.00 C ATOM 201 C THR A 14 11.629 -7.736 -0.312 1.00 0.00 C ATOM 202 O THR A 14 12.590 -8.223 -0.876 1.00 0.00 O ATOM 203 CB THR A 14 11.787 -5.284 0.161 1.00 0.00 C ATOM 204 OG1 THR A 14 13.122 -4.861 -0.084 1.00 0.00 O ATOM 205 CG2 THR A 14 11.105 -4.299 1.112 1.00 0.00 C ATOM 0 H THR A 14 13.833 -7.311 0.856 1.00 0.00 H new ATOM 0 HA THR A 14 10.995 -6.822 1.494 1.00 0.00 H new ATOM 0 HB THR A 14 11.234 -5.314 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.114 -3.965 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.099 -3.305 0.664 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.080 -4.621 1.295 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.650 -4.268 2.056 1.00 0.00 H new ATOM 213 N LEU A 15 10.414 -8.092 -0.617 1.00 0.00 N ATOM 214 CA LEU A 15 10.177 -9.112 -1.671 1.00 0.00 C ATOM 215 C LEU A 15 9.518 -8.462 -2.888 1.00 0.00 C ATOM 216 O LEU A 15 8.775 -7.510 -2.757 1.00 0.00 O ATOM 217 CB LEU A 15 9.228 -10.119 -1.030 1.00 0.00 C ATOM 218 CG LEU A 15 9.927 -10.811 0.141 1.00 0.00 C ATOM 219 CD1 LEU A 15 9.631 -10.051 1.436 1.00 0.00 C ATOM 220 CD2 LEU A 15 9.408 -12.245 0.264 1.00 0.00 C ATOM 0 H LEU A 15 9.572 -7.718 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 15 11.100 -9.578 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.327 -9.614 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.914 -10.858 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 15 11.003 -10.824 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.130 -10.545 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.997 -9.028 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.555 -10.038 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.904 -12.741 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.332 -12.229 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.617 -12.788 -0.658 1.00 0.00 H new ATOM 232 N PRO A 16 9.810 -9.005 -4.036 1.00 0.00 N ATOM 233 CA PRO A 16 9.237 -8.481 -5.290 1.00 0.00 C ATOM 234 C PRO A 16 7.829 -9.039 -5.482 1.00 0.00 C ATOM 235 O PRO A 16 7.060 -8.556 -6.283 1.00 0.00 O ATOM 236 CB PRO A 16 10.183 -9.014 -6.361 1.00 0.00 C ATOM 237 CG PRO A 16 10.804 -10.245 -5.771 1.00 0.00 C ATOM 238 CD PRO A 16 10.693 -10.150 -4.267 1.00 0.00 C ATOM 0 HA PRO A 16 9.149 -7.395 -5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.644 -9.248 -7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.943 -8.275 -6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.297 -11.139 -6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.849 -10.326 -6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.278 -11.064 -3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.669 -9.998 -3.806 1.00 0.00 H new ATOM 246 N ARG A 17 7.494 -10.062 -4.749 1.00 0.00 N ATOM 247 CA ARG A 17 6.142 -10.671 -4.882 1.00 0.00 C ATOM 248 C ARG A 17 5.904 -11.653 -3.730 1.00 0.00 C ATOM 249 O ARG A 17 5.636 -12.819 -3.940 1.00 0.00 O ATOM 250 CB ARG A 17 6.186 -11.414 -6.219 1.00 0.00 C ATOM 251 CG ARG A 17 4.981 -12.347 -6.332 1.00 0.00 C ATOM 252 CD ARG A 17 4.168 -11.985 -7.577 1.00 0.00 C ATOM 253 NE ARG A 17 4.555 -12.998 -8.596 1.00 0.00 N ATOM 254 CZ ARG A 17 3.831 -14.073 -8.755 1.00 0.00 C ATOM 255 NH1 ARG A 17 3.979 -15.085 -7.944 1.00 0.00 N ATOM 256 NH2 ARG A 17 2.961 -14.135 -9.725 1.00 0.00 N ATOM 0 H ARG A 17 8.101 -10.505 -4.060 1.00 0.00 H new ATOM 0 HA ARG A 17 5.339 -9.934 -4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.183 -10.700 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.110 -11.987 -6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.315 -13.383 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.358 -12.263 -5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.098 -12.019 -7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.396 -10.975 -7.918 1.00 0.00 H new ATOM 0 HE ARG A 17 5.386 -12.853 -9.170 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.660 -15.036 -7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.414 -15.925 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.847 -13.344 -10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.395 -14.974 -9.850 1.00 0.00 H new ATOM 270 N VAL A 18 6.003 -11.193 -2.510 1.00 0.00 N ATOM 271 CA VAL A 18 5.778 -12.113 -1.350 1.00 0.00 C ATOM 272 C VAL A 18 4.556 -12.978 -1.619 1.00 0.00 C ATOM 273 O VAL A 18 3.839 -12.754 -2.569 1.00 0.00 O ATOM 274 CB VAL A 18 5.544 -11.201 -0.142 1.00 0.00 C ATOM 275 CG1 VAL A 18 4.769 -9.955 -0.572 1.00 0.00 C ATOM 276 CG2 VAL A 18 4.746 -11.952 0.926 1.00 0.00 C ATOM 0 H VAL A 18 6.228 -10.229 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 18 6.621 -12.783 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 18 6.509 -10.902 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.606 -9.311 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.340 -9.413 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.807 -10.251 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.582 -11.299 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.785 -12.258 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.302 -12.834 1.243 1.00 0.00 H new ATOM 286 N ASP A 19 4.309 -13.958 -0.787 1.00 0.00 N ATOM 287 CA ASP A 19 3.123 -14.832 -0.992 1.00 0.00 C ATOM 288 C ASP A 19 1.985 -13.983 -1.555 1.00 0.00 C ATOM 289 O ASP A 19 1.086 -13.564 -0.853 1.00 0.00 O ATOM 290 CB ASP A 19 2.801 -15.350 0.402 1.00 0.00 C ATOM 291 CG ASP A 19 1.929 -16.602 0.302 1.00 0.00 C ATOM 292 OD1 ASP A 19 1.522 -16.929 -0.800 1.00 0.00 O ATOM 293 OD2 ASP A 19 1.684 -17.213 1.329 1.00 0.00 O ATOM 0 H ASP A 19 4.881 -14.188 0.026 1.00 0.00 H new ATOM 0 HA ASP A 19 3.286 -15.652 -1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.723 -15.580 0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.284 -14.581 0.975 1.00 0.00 H new ATOM 298 N PHE A 20 2.068 -13.688 -2.817 1.00 0.00 N ATOM 299 CA PHE A 20 1.061 -12.819 -3.472 1.00 0.00 C ATOM 300 C PHE A 20 -0.371 -13.240 -3.166 1.00 0.00 C ATOM 301 O PHE A 20 -1.065 -12.599 -2.404 1.00 0.00 O ATOM 302 CB PHE A 20 1.351 -12.954 -4.957 1.00 0.00 C ATOM 303 CG PHE A 20 1.275 -11.586 -5.554 1.00 0.00 C ATOM 304 CD1 PHE A 20 2.345 -10.701 -5.403 1.00 0.00 C ATOM 305 CD2 PHE A 20 0.127 -11.197 -6.239 1.00 0.00 C ATOM 306 CE1 PHE A 20 2.266 -9.419 -5.944 1.00 0.00 C ATOM 307 CE2 PHE A 20 0.042 -9.919 -6.781 1.00 0.00 C ATOM 308 CZ PHE A 20 1.116 -9.025 -6.632 1.00 0.00 C ATOM 0 H PHE A 20 2.808 -14.020 -3.435 1.00 0.00 H new ATOM 0 HA PHE A 20 1.136 -11.793 -3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.338 -13.388 -5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.629 -13.620 -5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.231 -11.009 -4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.697 -11.887 -6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.092 -8.732 -5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.846 -9.615 -7.315 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.052 -8.031 -7.050 1.00 0.00 H new ATOM 318 N LYS A 21 -0.834 -14.284 -3.770 1.00 0.00 N ATOM 319 CA LYS A 21 -2.235 -14.697 -3.516 1.00 0.00 C ATOM 320 C LYS A 21 -2.537 -14.643 -2.010 1.00 0.00 C ATOM 321 O LYS A 21 -3.681 -14.602 -1.601 1.00 0.00 O ATOM 322 CB LYS A 21 -2.336 -16.128 -4.042 1.00 0.00 C ATOM 323 CG LYS A 21 -2.040 -16.145 -5.542 1.00 0.00 C ATOM 324 CD LYS A 21 -3.205 -16.800 -6.286 1.00 0.00 C ATOM 325 CE LYS A 21 -2.690 -17.991 -7.097 1.00 0.00 C ATOM 326 NZ LYS A 21 -2.649 -17.508 -8.505 1.00 0.00 N ATOM 0 H LYS A 21 -0.312 -14.868 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.954 -14.040 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.631 -16.771 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.333 -16.526 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.889 -15.128 -5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.118 -16.693 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.963 -17.131 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.681 -16.076 -6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.702 -18.302 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.349 -18.853 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.305 -18.270 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.604 -17.225 -8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.009 -16.691 -8.573 1.00 0.00 H new ATOM 340 N ASN A 22 -1.520 -14.640 -1.180 1.00 0.00 N ATOM 341 CA ASN A 22 -1.749 -14.585 0.290 1.00 0.00 C ATOM 342 C ASN A 22 -1.810 -13.134 0.757 1.00 0.00 C ATOM 343 O ASN A 22 -2.445 -12.806 1.739 1.00 0.00 O ATOM 344 CB ASN A 22 -0.525 -15.265 0.888 1.00 0.00 C ATOM 345 CG ASN A 22 -0.960 -16.295 1.932 1.00 0.00 C ATOM 346 OD1 ASN A 22 -2.070 -16.788 1.891 1.00 0.00 O ATOM 347 ND2 ASN A 22 -0.125 -16.646 2.871 1.00 0.00 N ATOM 0 H ASN A 22 -0.541 -14.673 -1.463 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.684 -15.061 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.052 -15.752 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.127 -14.522 1.347 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.404 -17.334 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.807 -16.232 2.906 1.00 0.00 H new ATOM 354 N ILE A 23 -1.133 -12.272 0.059 1.00 0.00 N ATOM 355 CA ILE A 23 -1.113 -10.835 0.446 1.00 0.00 C ATOM 356 C ILE A 23 -2.491 -10.393 0.953 1.00 0.00 C ATOM 357 O ILE A 23 -3.382 -10.100 0.180 1.00 0.00 O ATOM 358 CB ILE A 23 -0.751 -10.075 -0.835 1.00 0.00 C ATOM 359 CG1 ILE A 23 0.551 -10.617 -1.431 1.00 0.00 C ATOM 360 CG2 ILE A 23 -0.567 -8.594 -0.522 1.00 0.00 C ATOM 361 CD1 ILE A 23 1.679 -10.533 -0.406 1.00 0.00 C ATOM 0 H ILE A 23 -0.587 -12.502 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.402 -10.644 1.250 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.560 -10.209 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.412 -11.652 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.816 -10.047 -2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.310 -8.058 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.494 -8.191 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.234 -8.473 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.598 -10.922 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.828 -9.494 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.417 -11.123 0.472 1.00 0.00 H new ATOM 373 N GLN A 24 -2.671 -10.335 2.244 1.00 0.00 N ATOM 374 CA GLN A 24 -3.988 -9.903 2.798 1.00 0.00 C ATOM 375 C GLN A 24 -3.942 -8.416 3.158 1.00 0.00 C ATOM 376 O GLN A 24 -4.901 -7.854 3.649 1.00 0.00 O ATOM 377 CB GLN A 24 -4.192 -10.754 4.052 1.00 0.00 C ATOM 378 CG GLN A 24 -5.688 -10.984 4.275 1.00 0.00 C ATOM 379 CD GLN A 24 -6.022 -10.782 5.754 1.00 0.00 C ATOM 380 OE1 GLN A 24 -5.458 -9.926 6.405 1.00 0.00 O ATOM 381 NE2 GLN A 24 -6.924 -11.540 6.315 1.00 0.00 N ATOM 0 H GLN A 24 -1.963 -10.568 2.941 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.801 -10.034 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.679 -11.709 3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.757 -10.255 4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.268 -10.293 3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.962 -11.992 3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.398 -12.259 5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.155 -11.413 7.300 1.00 0.00 H new ATOM 390 N SER A 25 -2.834 -7.776 2.911 1.00 0.00 N ATOM 391 CA SER A 25 -2.718 -6.325 3.227 1.00 0.00 C ATOM 392 C SER A 25 -1.434 -5.766 2.614 1.00 0.00 C ATOM 393 O SER A 25 -0.507 -6.496 2.323 1.00 0.00 O ATOM 394 CB SER A 25 -2.667 -6.248 4.752 1.00 0.00 C ATOM 395 OG SER A 25 -1.317 -6.105 5.170 1.00 0.00 O ATOM 0 H SER A 25 -2.000 -8.197 2.502 1.00 0.00 H new ATOM 0 HA SER A 25 -3.548 -5.743 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.260 -5.405 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.101 -7.148 5.188 1.00 0.00 H new ATOM 0 HG SER A 25 -1.281 -6.054 6.148 1.00 0.00 H new ATOM 401 N LEU A 26 -1.372 -4.482 2.406 1.00 0.00 N ATOM 402 CA LEU A 26 -0.145 -3.891 1.802 1.00 0.00 C ATOM 403 C LEU A 26 0.146 -2.519 2.411 1.00 0.00 C ATOM 404 O LEU A 26 -0.707 -1.907 3.021 1.00 0.00 O ATOM 405 CB LEU A 26 -0.469 -3.755 0.315 1.00 0.00 C ATOM 406 CG LEU A 26 0.350 -4.772 -0.481 1.00 0.00 C ATOM 407 CD1 LEU A 26 0.071 -4.598 -1.974 1.00 0.00 C ATOM 408 CD2 LEU A 26 1.839 -4.546 -0.211 1.00 0.00 C ATOM 0 H LEU A 26 -2.114 -3.818 2.627 1.00 0.00 H new ATOM 0 HA LEU A 26 0.737 -4.506 1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.534 -3.919 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.244 -2.744 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 26 0.072 -5.781 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.655 -5.323 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.990 -4.757 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.349 -3.590 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.425 -5.270 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.115 -3.537 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.039 -4.670 0.853 1.00 0.00 H new ATOM 420 N SER A 27 1.346 -2.035 2.245 1.00 0.00 N ATOM 421 CA SER A 27 1.705 -0.701 2.803 1.00 0.00 C ATOM 422 C SER A 27 2.895 -0.124 2.033 1.00 0.00 C ATOM 423 O SER A 27 3.985 -0.656 2.072 1.00 0.00 O ATOM 424 CB SER A 27 2.076 -0.960 4.261 1.00 0.00 C ATOM 425 OG SER A 27 1.146 -0.298 5.107 1.00 0.00 O ATOM 0 H SER A 27 2.097 -2.509 1.744 1.00 0.00 H new ATOM 0 HA SER A 27 0.890 0.018 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.072 -2.031 4.465 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.086 -0.601 4.460 1.00 0.00 H new ATOM 0 HG SER A 27 0.276 -0.747 5.052 1.00 0.00 H new ATOM 431 N VAL A 28 2.698 0.953 1.325 1.00 0.00 N ATOM 432 CA VAL A 28 3.826 1.541 0.546 1.00 0.00 C ATOM 433 C VAL A 28 4.285 2.862 1.166 1.00 0.00 C ATOM 434 O VAL A 28 3.494 3.740 1.448 1.00 0.00 O ATOM 435 CB VAL A 28 3.258 1.775 -0.854 1.00 0.00 C ATOM 436 CG1 VAL A 28 4.275 2.546 -1.697 1.00 0.00 C ATOM 437 CG2 VAL A 28 2.967 0.426 -1.515 1.00 0.00 C ATOM 0 H VAL A 28 1.810 1.450 1.251 1.00 0.00 H new ATOM 0 HA VAL A 28 4.697 0.886 0.534 1.00 0.00 H new ATOM 0 HB VAL A 28 2.337 2.353 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.869 2.712 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.485 3.506 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.197 1.970 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.562 0.590 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.889 -0.150 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.242 -0.124 -0.915 1.00 0.00 H new ATOM 447 N THR A 29 5.565 3.008 1.369 1.00 0.00 N ATOM 448 CA THR A 29 6.097 4.268 1.960 1.00 0.00 C ATOM 449 C THR A 29 7.402 4.649 1.257 1.00 0.00 C ATOM 450 O THR A 29 8.167 3.791 0.864 1.00 0.00 O ATOM 451 CB THR A 29 6.348 3.942 3.432 1.00 0.00 C ATOM 452 OG1 THR A 29 6.517 5.150 4.162 1.00 0.00 O ATOM 453 CG2 THR A 29 7.608 3.085 3.563 1.00 0.00 C ATOM 0 H THR A 29 6.270 2.304 1.149 1.00 0.00 H new ATOM 0 HA THR A 29 5.412 5.109 1.849 1.00 0.00 H new ATOM 0 HB THR A 29 5.496 3.392 3.830 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.676 4.942 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.784 2.855 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.477 2.158 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.463 3.631 3.163 1.00 0.00 H new ATOM 461 N PRO A 30 7.608 5.928 1.113 1.00 0.00 N ATOM 462 CA PRO A 30 8.831 6.428 0.438 1.00 0.00 C ATOM 463 C PRO A 30 10.073 6.190 1.302 1.00 0.00 C ATOM 464 O PRO A 30 9.979 5.699 2.409 1.00 0.00 O ATOM 465 CB PRO A 30 8.556 7.921 0.267 1.00 0.00 C ATOM 466 CG PRO A 30 7.563 8.255 1.333 1.00 0.00 C ATOM 467 CD PRO A 30 6.735 7.018 1.561 1.00 0.00 C ATOM 0 HA PRO A 30 9.032 5.923 -0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.469 8.506 0.380 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.159 8.138 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.068 8.556 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.933 9.090 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.462 6.907 2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.806 7.047 0.991 1.00 0.00 H new ATOM 475 N PRO A 31 11.202 6.541 0.747 1.00 0.00 N ATOM 476 CA PRO A 31 12.496 6.361 1.454 1.00 0.00 C ATOM 477 C PRO A 31 12.631 7.342 2.620 1.00 0.00 C ATOM 478 O PRO A 31 11.714 8.067 2.951 1.00 0.00 O ATOM 479 CB PRO A 31 13.535 6.665 0.377 1.00 0.00 C ATOM 480 CG PRO A 31 12.827 7.545 -0.601 1.00 0.00 C ATOM 481 CD PRO A 31 11.379 7.137 -0.582 1.00 0.00 C ATOM 0 HA PRO A 31 12.602 5.366 1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.407 7.164 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.890 5.751 -0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.937 8.594 -0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.248 7.430 -1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.720 7.993 -0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.154 6.423 -1.374 1.00 0.00 H new ATOM 564 N THR A 38 12.793 3.854 -1.230 1.00 0.00 N ATOM 565 CA THR A 38 11.340 3.552 -1.076 1.00 0.00 C ATOM 566 C THR A 38 11.162 2.106 -0.612 1.00 0.00 C ATOM 567 O THR A 38 11.972 1.248 -0.905 1.00 0.00 O ATOM 568 CB THR A 38 10.742 3.743 -2.472 1.00 0.00 C ATOM 569 OG1 THR A 38 11.593 4.587 -3.237 1.00 0.00 O ATOM 570 CG2 THR A 38 9.355 4.380 -2.359 1.00 0.00 C ATOM 0 HA THR A 38 10.856 4.193 -0.339 1.00 0.00 H new ATOM 0 HB THR A 38 10.651 2.774 -2.962 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.529 4.377 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.934 4.514 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.703 3.731 -1.774 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.439 5.349 -1.867 1.00 0.00 H new ATOM 578 N GLU A 39 10.117 1.825 0.113 1.00 0.00 N ATOM 579 CA GLU A 39 9.909 0.433 0.592 1.00 0.00 C ATOM 580 C GLU A 39 8.421 0.140 0.788 1.00 0.00 C ATOM 581 O GLU A 39 7.623 1.034 0.994 1.00 0.00 O ATOM 582 CB GLU A 39 10.645 0.371 1.926 1.00 0.00 C ATOM 583 CG GLU A 39 11.152 -1.048 2.145 1.00 0.00 C ATOM 584 CD GLU A 39 12.490 -1.009 2.885 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.757 -0.008 3.530 1.00 0.00 O ATOM 586 OE2 GLU A 39 13.224 -1.978 2.793 1.00 0.00 O ATOM 0 H GLU A 39 9.401 2.496 0.393 1.00 0.00 H new ATOM 0 HA GLU A 39 10.276 -0.305 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.478 1.074 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.979 0.663 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.424 -1.620 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.270 -1.554 1.187 1.00 0.00 H new ATOM 593 N VAL A 40 8.040 -1.109 0.724 1.00 0.00 N ATOM 594 CA VAL A 40 6.601 -1.456 0.906 1.00 0.00 C ATOM 595 C VAL A 40 6.433 -2.491 2.020 1.00 0.00 C ATOM 596 O VAL A 40 7.393 -3.025 2.541 1.00 0.00 O ATOM 597 CB VAL A 40 6.166 -2.043 -0.436 1.00 0.00 C ATOM 598 CG1 VAL A 40 4.656 -2.288 -0.424 1.00 0.00 C ATOM 599 CG2 VAL A 40 6.514 -1.062 -1.554 1.00 0.00 C ATOM 0 H VAL A 40 8.661 -1.900 0.554 1.00 0.00 H new ATOM 0 HA VAL A 40 6.004 -0.590 1.191 1.00 0.00 H new ATOM 0 HB VAL A 40 6.683 -2.987 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.348 -2.707 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.407 -2.987 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.136 -1.345 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.205 -1.478 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.996 -0.118 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.590 -0.889 -1.564 1.00 0.00 H new ATOM 609 N ILE A 41 5.214 -2.782 2.377 1.00 0.00 N ATOM 610 CA ILE A 41 4.953 -3.785 3.447 1.00 0.00 C ATOM 611 C ILE A 41 3.658 -4.526 3.131 1.00 0.00 C ATOM 612 O ILE A 41 2.614 -3.926 2.972 1.00 0.00 O ATOM 613 CB ILE A 41 4.809 -2.978 4.736 1.00 0.00 C ATOM 614 CG1 ILE A 41 6.151 -2.336 5.091 1.00 0.00 C ATOM 615 CG2 ILE A 41 4.373 -3.903 5.873 1.00 0.00 C ATOM 616 CD1 ILE A 41 6.121 -0.853 4.717 1.00 0.00 C ATOM 0 H ILE A 41 4.378 -2.363 1.969 1.00 0.00 H new ATOM 0 HA ILE A 41 5.748 -4.526 3.532 1.00 0.00 H new ATOM 0 HB ILE A 41 4.060 -2.200 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.350 -2.449 6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.959 -2.840 4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.271 -3.326 6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.416 -4.361 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.122 -4.682 6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.077 -0.395 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.941 -0.751 3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.323 -0.355 5.268 1.00 0.00 H new ATOM 628 N ALA A 42 3.712 -5.819 3.019 1.00 0.00 N ATOM 629 CA ALA A 42 2.476 -6.575 2.689 1.00 0.00 C ATOM 630 C ALA A 42 2.261 -7.727 3.666 1.00 0.00 C ATOM 631 O ALA A 42 3.195 -8.357 4.118 1.00 0.00 O ATOM 632 CB ALA A 42 2.725 -7.117 1.284 1.00 0.00 C ATOM 0 H ALA A 42 4.553 -6.384 3.141 1.00 0.00 H new ATOM 0 HA ALA A 42 1.586 -5.948 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.859 -7.692 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.889 -6.286 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.605 -7.760 1.293 1.00 0.00 H new ATOM 638 N THR A 43 1.029 -8.025 3.968 1.00 0.00 N ATOM 639 CA THR A 43 0.741 -9.154 4.892 1.00 0.00 C ATOM 640 C THR A 43 0.142 -10.300 4.089 1.00 0.00 C ATOM 641 O THR A 43 -0.471 -10.091 3.064 1.00 0.00 O ATOM 642 CB THR A 43 -0.277 -8.618 5.899 1.00 0.00 C ATOM 643 OG1 THR A 43 0.352 -7.669 6.749 1.00 0.00 O ATOM 644 CG2 THR A 43 -0.822 -9.780 6.736 1.00 0.00 C ATOM 0 H THR A 43 0.208 -7.534 3.614 1.00 0.00 H new ATOM 0 HA THR A 43 1.634 -9.522 5.398 1.00 0.00 H new ATOM 0 HB THR A 43 -1.099 -8.137 5.369 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.301 -7.324 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.548 -9.401 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.304 -10.505 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.001 -10.261 7.268 1.00 0.00 H new ATOM 652 N LEU A 44 0.337 -11.507 4.520 1.00 0.00 N ATOM 653 CA LEU A 44 -0.195 -12.659 3.749 1.00 0.00 C ATOM 654 C LEU A 44 -1.367 -13.320 4.472 1.00 0.00 C ATOM 655 O LEU A 44 -1.635 -13.052 5.626 1.00 0.00 O ATOM 656 CB LEU A 44 0.984 -13.614 3.675 1.00 0.00 C ATOM 657 CG LEU A 44 2.219 -12.857 3.198 1.00 0.00 C ATOM 658 CD1 LEU A 44 3.350 -13.847 2.935 1.00 0.00 C ATOM 659 CD2 LEU A 44 1.882 -12.104 1.911 1.00 0.00 C ATOM 0 H LEU A 44 0.842 -11.748 5.373 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.575 -12.363 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.170 -14.056 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.760 -14.434 2.992 1.00 0.00 H new ATOM 0 HG LEU A 44 2.534 -12.146 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.234 -13.308 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.585 -14.384 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.041 -14.558 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.762 -11.561 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.570 -12.814 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.073 -11.399 2.103 1.00 0.00 H new ATOM 671 N LYS A 45 -2.064 -14.189 3.793 1.00 0.00 N ATOM 672 CA LYS A 45 -3.219 -14.879 4.430 1.00 0.00 C ATOM 673 C LYS A 45 -2.710 -15.982 5.360 1.00 0.00 C ATOM 674 O LYS A 45 -1.991 -16.872 4.950 1.00 0.00 O ATOM 675 CB LYS A 45 -4.028 -15.458 3.262 1.00 0.00 C ATOM 676 CG LYS A 45 -4.257 -16.959 3.466 1.00 0.00 C ATOM 677 CD LYS A 45 -5.125 -17.503 2.329 1.00 0.00 C ATOM 678 CE LYS A 45 -6.597 -17.462 2.745 1.00 0.00 C ATOM 679 NZ LYS A 45 -7.249 -18.547 1.960 1.00 0.00 N ATOM 0 H LYS A 45 -1.883 -14.451 2.824 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.829 -14.213 5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.986 -14.944 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.499 -15.288 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.302 -17.483 3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.743 -17.136 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.975 -16.910 1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.832 -18.525 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.709 -17.628 3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.043 -16.492 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.262 -18.582 2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.132 -18.359 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.809 -19.459 2.196 1.00 0.00 H new ATOM 693 N GLY A 46 -3.074 -15.928 6.609 1.00 0.00 N ATOM 694 CA GLY A 46 -2.608 -16.965 7.563 1.00 0.00 C ATOM 695 C GLY A 46 -1.905 -16.298 8.746 1.00 0.00 C ATOM 696 O GLY A 46 -2.022 -16.734 9.873 1.00 0.00 O ATOM 0 H GLY A 46 -3.675 -15.208 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.454 -17.555 7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.926 -17.653 7.063 1.00 0.00 H new ATOM 700 N GLY A 47 -1.175 -15.241 8.503 1.00 0.00 N ATOM 701 CA GLY A 47 -0.472 -14.559 9.620 1.00 0.00 C ATOM 702 C GLY A 47 1.025 -14.512 9.326 1.00 0.00 C ATOM 703 O GLY A 47 1.820 -15.169 9.968 1.00 0.00 O ATOM 0 H GLY A 47 -1.038 -14.825 7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.861 -13.548 9.745 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.653 -15.089 10.555 1.00 0.00 H new ATOM 707 N GLN A 48 1.411 -13.735 8.358 1.00 0.00 N ATOM 708 CA GLN A 48 2.852 -13.630 8.007 1.00 0.00 C ATOM 709 C GLN A 48 3.064 -12.422 7.096 1.00 0.00 C ATOM 710 O GLN A 48 2.848 -12.486 5.904 1.00 0.00 O ATOM 711 CB GLN A 48 3.182 -14.929 7.272 1.00 0.00 C ATOM 712 CG GLN A 48 4.135 -15.769 8.124 1.00 0.00 C ATOM 713 CD GLN A 48 4.769 -16.861 7.260 1.00 0.00 C ATOM 714 OE1 GLN A 48 5.976 -16.941 7.153 1.00 0.00 O ATOM 715 NE2 GLN A 48 4.000 -17.711 6.636 1.00 0.00 N ATOM 0 H GLN A 48 0.786 -13.163 7.790 1.00 0.00 H new ATOM 0 HA GLN A 48 3.490 -13.495 8.880 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.268 -15.488 7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.639 -14.708 6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.911 -15.134 8.553 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.594 -16.218 8.957 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.986 -17.643 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.413 -18.443 6.058 1.00 0.00 H new ATOM 724 N LYS A 49 3.467 -11.316 7.652 1.00 0.00 N ATOM 725 CA LYS A 49 3.672 -10.099 6.824 1.00 0.00 C ATOM 726 C LYS A 49 5.156 -9.788 6.689 1.00 0.00 C ATOM 727 O LYS A 49 5.998 -10.382 7.333 1.00 0.00 O ATOM 728 CB LYS A 49 2.961 -8.992 7.599 1.00 0.00 C ATOM 729 CG LYS A 49 3.261 -7.621 6.996 1.00 0.00 C ATOM 730 CD LYS A 49 4.614 -7.118 7.505 1.00 0.00 C ATOM 731 CE LYS A 49 4.400 -5.910 8.419 1.00 0.00 C ATOM 732 NZ LYS A 49 5.757 -5.327 8.611 1.00 0.00 N ATOM 0 H LYS A 49 3.664 -11.203 8.646 1.00 0.00 H new ATOM 0 HA LYS A 49 3.287 -10.214 5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.886 -9.170 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.278 -9.012 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.272 -7.686 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.475 -6.915 7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.128 -7.911 8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.251 -6.843 6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.721 -5.188 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.960 -6.208 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.905 -5.116 9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.476 -6.007 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.839 -4.450 8.058 1.00 0.00 H new ATOM 746 N VAL A 50 5.469 -8.857 5.849 1.00 0.00 N ATOM 747 CA VAL A 50 6.897 -8.474 5.640 1.00 0.00 C ATOM 748 C VAL A 50 6.987 -7.197 4.797 1.00 0.00 C ATOM 749 O VAL A 50 6.035 -6.452 4.679 1.00 0.00 O ATOM 750 CB VAL A 50 7.517 -9.663 4.897 1.00 0.00 C ATOM 751 CG1 VAL A 50 7.291 -9.511 3.391 1.00 0.00 C ATOM 752 CG2 VAL A 50 9.021 -9.715 5.184 1.00 0.00 C ATOM 0 H VAL A 50 4.797 -8.334 5.288 1.00 0.00 H new ATOM 0 HA VAL A 50 7.414 -8.266 6.577 1.00 0.00 H new ATOM 0 HB VAL A 50 7.046 -10.585 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.734 -10.359 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.221 -9.477 3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.757 -8.588 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.463 -10.560 4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.488 -8.791 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.183 -9.831 6.256 1.00 0.00 H new ATOM 762 N CYS A 51 8.125 -6.941 4.208 1.00 0.00 N ATOM 763 CA CYS A 51 8.278 -5.718 3.375 1.00 0.00 C ATOM 764 C CYS A 51 8.377 -6.106 1.901 1.00 0.00 C ATOM 765 O CYS A 51 8.840 -7.179 1.564 1.00 0.00 O ATOM 766 CB CYS A 51 9.578 -5.085 3.862 1.00 0.00 C ATOM 767 SG CYS A 51 9.349 -4.466 5.548 1.00 0.00 S ATOM 0 H CYS A 51 8.956 -7.529 4.270 1.00 0.00 H new ATOM 0 HA CYS A 51 7.435 -5.033 3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.384 -5.818 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.869 -4.270 3.200 1.00 0.00 H new ATOM 0 HG CYS A 51 10.456 -3.928 5.967 1.00 0.00 H new ATOM 772 N LEU A 52 7.925 -5.259 1.018 1.00 0.00 N ATOM 773 CA LEU A 52 7.969 -5.599 -0.419 1.00 0.00 C ATOM 774 C LEU A 52 9.001 -4.745 -1.156 1.00 0.00 C ATOM 775 O LEU A 52 9.448 -3.726 -0.665 1.00 0.00 O ATOM 776 CB LEU A 52 6.563 -5.276 -0.894 1.00 0.00 C ATOM 777 CG LEU A 52 5.890 -6.546 -1.405 1.00 0.00 C ATOM 778 CD1 LEU A 52 4.374 -6.376 -1.333 1.00 0.00 C ATOM 779 CD2 LEU A 52 6.309 -6.803 -2.854 1.00 0.00 C ATOM 0 H LEU A 52 7.527 -4.346 1.237 1.00 0.00 H new ATOM 0 HA LEU A 52 8.259 -6.634 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.982 -4.848 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.599 -4.528 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 52 6.193 -7.393 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.889 -7.281 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.077 -6.195 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.073 -5.530 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.827 -7.711 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.008 -5.959 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.391 -6.922 -2.904 1.00 0.00 H new ATOM 791 N ASP A 53 9.371 -5.170 -2.336 1.00 0.00 N ATOM 792 CA ASP A 53 10.374 -4.421 -3.153 1.00 0.00 C ATOM 793 C ASP A 53 10.132 -2.907 -3.069 1.00 0.00 C ATOM 794 O ASP A 53 9.433 -2.436 -2.197 1.00 0.00 O ATOM 795 CB ASP A 53 10.143 -4.930 -4.577 1.00 0.00 C ATOM 796 CG ASP A 53 11.466 -5.427 -5.165 1.00 0.00 C ATOM 797 OD1 ASP A 53 12.202 -6.081 -4.446 1.00 0.00 O ATOM 798 OD2 ASP A 53 11.718 -5.144 -6.324 1.00 0.00 O ATOM 0 H ASP A 53 9.015 -6.019 -2.776 1.00 0.00 H new ATOM 0 HA ASP A 53 11.396 -4.580 -2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.410 -5.737 -4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.734 -4.132 -5.197 1.00 0.00 H new ATOM 803 N PRO A 54 10.725 -2.185 -3.985 1.00 0.00 N ATOM 804 CA PRO A 54 10.569 -0.716 -3.995 1.00 0.00 C ATOM 805 C PRO A 54 9.272 -0.362 -4.712 1.00 0.00 C ATOM 806 O PRO A 54 9.264 -0.080 -5.893 1.00 0.00 O ATOM 807 CB PRO A 54 11.787 -0.239 -4.778 1.00 0.00 C ATOM 808 CG PRO A 54 12.187 -1.392 -5.651 1.00 0.00 C ATOM 809 CD PRO A 54 11.571 -2.654 -5.088 1.00 0.00 C ATOM 0 HA PRO A 54 10.515 -0.261 -3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.548 0.640 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.598 0.043 -4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.848 -1.228 -6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.273 -1.483 -5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.986 -3.181 -5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.335 -3.347 -4.736 1.00 0.00 H new ATOM 817 N GLU A 55 8.169 -0.418 -4.019 1.00 0.00 N ATOM 818 CA GLU A 55 6.874 -0.133 -4.685 1.00 0.00 C ATOM 819 C GLU A 55 6.627 -1.248 -5.699 1.00 0.00 C ATOM 820 O GLU A 55 5.869 -1.106 -6.638 1.00 0.00 O ATOM 821 CB GLU A 55 7.057 1.234 -5.363 1.00 0.00 C ATOM 822 CG GLU A 55 7.222 1.070 -6.880 1.00 0.00 C ATOM 823 CD GLU A 55 8.173 2.147 -7.405 1.00 0.00 C ATOM 824 OE1 GLU A 55 8.913 2.696 -6.607 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.144 2.405 -8.597 1.00 0.00 O ATOM 0 H GLU A 55 8.111 -0.647 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 55 6.019 -0.099 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.196 1.868 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.931 1.736 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.614 0.079 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.254 1.152 -7.374 1.00 0.00 H new ATOM 832 N ALA A 56 7.298 -2.357 -5.513 1.00 0.00 N ATOM 833 CA ALA A 56 7.152 -3.495 -6.455 1.00 0.00 C ATOM 834 C ALA A 56 7.134 -2.964 -7.888 1.00 0.00 C ATOM 835 O ALA A 56 6.105 -2.936 -8.528 1.00 0.00 O ATOM 836 CB ALA A 56 5.823 -4.163 -6.088 1.00 0.00 C ATOM 0 H ALA A 56 7.945 -2.518 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 56 7.974 -4.208 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.650 -5.015 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.861 -4.505 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.011 -3.445 -6.203 1.00 0.00 H new ATOM 842 N PRO A 57 8.292 -2.553 -8.340 1.00 0.00 N ATOM 843 CA PRO A 57 8.426 -2.009 -9.712 1.00 0.00 C ATOM 844 C PRO A 57 8.292 -3.145 -10.720 1.00 0.00 C ATOM 845 O PRO A 57 7.242 -3.359 -11.289 1.00 0.00 O ATOM 846 CB PRO A 57 9.831 -1.415 -9.730 1.00 0.00 C ATOM 847 CG PRO A 57 10.578 -2.156 -8.670 1.00 0.00 C ATOM 848 CD PRO A 57 9.572 -2.562 -7.622 1.00 0.00 C ATOM 0 HA PRO A 57 7.667 -1.270 -9.970 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.301 -1.542 -10.705 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.810 -0.345 -9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.073 -3.032 -9.089 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.355 -1.527 -8.235 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.795 -3.548 -7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.565 -1.865 -6.784 1.00 0.00 H new ATOM 856 N LEU A 58 9.334 -3.895 -10.931 1.00 0.00 N ATOM 857 CA LEU A 58 9.223 -5.026 -11.882 1.00 0.00 C ATOM 858 C LEU A 58 7.948 -5.805 -11.561 1.00 0.00 C ATOM 859 O LEU A 58 7.271 -6.300 -12.439 1.00 0.00 O ATOM 860 CB LEU A 58 10.464 -5.885 -11.634 1.00 0.00 C ATOM 861 CG LEU A 58 11.691 -5.187 -12.222 1.00 0.00 C ATOM 862 CD1 LEU A 58 12.960 -5.771 -11.597 1.00 0.00 C ATOM 863 CD2 LEU A 58 11.723 -5.405 -13.737 1.00 0.00 C ATOM 0 H LEU A 58 10.246 -3.775 -10.491 1.00 0.00 H new ATOM 0 HA LEU A 58 9.170 -4.709 -12.924 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.601 -6.045 -10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.337 -6.867 -12.090 1.00 0.00 H new ATOM 0 HG LEU A 58 11.639 -4.120 -12.008 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.834 -5.273 -12.016 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.938 -5.618 -10.518 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.013 -6.839 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.597 -4.908 -14.158 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.775 -6.473 -13.950 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.820 -4.990 -14.184 1.00 0.00 H new ATOM 875 N VAL A 59 7.612 -5.906 -10.300 1.00 0.00 N ATOM 876 CA VAL A 59 6.373 -6.644 -9.919 1.00 0.00 C ATOM 877 C VAL A 59 5.169 -5.696 -9.856 1.00 0.00 C ATOM 878 O VAL A 59 4.075 -6.092 -9.506 1.00 0.00 O ATOM 879 CB VAL A 59 6.665 -7.223 -8.540 1.00 0.00 C ATOM 880 CG1 VAL A 59 5.441 -7.998 -8.051 1.00 0.00 C ATOM 881 CG2 VAL A 59 7.868 -8.166 -8.632 1.00 0.00 C ATOM 0 H VAL A 59 8.140 -5.511 -9.522 1.00 0.00 H new ATOM 0 HA VAL A 59 6.123 -7.416 -10.647 1.00 0.00 H new ATOM 0 HB VAL A 59 6.889 -6.418 -7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.644 -8.415 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.585 -7.326 -7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.220 -8.807 -8.748 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.080 -8.582 -7.647 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.644 -8.975 -9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.738 -7.613 -8.987 1.00 0.00 H new ATOM 891 N GLN A 60 5.361 -4.446 -10.177 1.00 0.00 N ATOM 892 CA GLN A 60 4.225 -3.478 -10.119 1.00 0.00 C ATOM 893 C GLN A 60 3.001 -4.048 -10.833 1.00 0.00 C ATOM 894 O GLN A 60 1.885 -3.926 -10.367 1.00 0.00 O ATOM 895 CB GLN A 60 4.732 -2.223 -10.832 1.00 0.00 C ATOM 896 CG GLN A 60 4.039 -0.988 -10.250 1.00 0.00 C ATOM 897 CD GLN A 60 4.798 -0.514 -9.009 1.00 0.00 C ATOM 898 OE1 GLN A 60 6.000 -0.665 -8.923 1.00 0.00 O ATOM 899 NE2 GLN A 60 4.144 0.064 -8.038 1.00 0.00 N ATOM 0 H GLN A 60 6.253 -4.052 -10.477 1.00 0.00 H new ATOM 0 HA GLN A 60 3.919 -3.266 -9.095 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.812 -2.136 -10.714 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.533 -2.294 -11.901 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.005 -0.192 -10.994 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.008 -1.225 -9.990 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.134 0.192 -8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.643 0.388 -7.209 1.00 0.00 H new ATOM 908 N LYS A 61 3.198 -4.673 -11.957 1.00 0.00 N ATOM 909 CA LYS A 61 2.042 -5.254 -12.695 1.00 0.00 C ATOM 910 C LYS A 61 1.310 -6.261 -11.808 1.00 0.00 C ATOM 911 O LYS A 61 0.150 -6.093 -11.485 1.00 0.00 O ATOM 912 CB LYS A 61 2.651 -5.947 -13.914 1.00 0.00 C ATOM 913 CG LYS A 61 1.537 -6.557 -14.768 1.00 0.00 C ATOM 914 CD LYS A 61 0.441 -5.516 -14.999 1.00 0.00 C ATOM 915 CE LYS A 61 -0.621 -6.091 -15.939 1.00 0.00 C ATOM 916 NZ LYS A 61 -1.676 -6.636 -15.039 1.00 0.00 N ATOM 0 H LYS A 61 4.108 -4.808 -12.398 1.00 0.00 H new ATOM 0 HA LYS A 61 1.313 -4.498 -12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.224 -5.231 -14.503 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.345 -6.724 -13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.940 -6.894 -15.723 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.122 -7.433 -14.270 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.013 -5.234 -14.049 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.870 -4.610 -15.428 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.023 -5.322 -16.598 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.204 -6.871 -16.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.441 -7.049 -15.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.265 -7.371 -14.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.059 -5.870 -14.449 1.00 0.00 H new ATOM 930 N ILE A 62 1.982 -7.299 -11.404 1.00 0.00 N ATOM 931 CA ILE A 62 1.326 -8.312 -10.528 1.00 0.00 C ATOM 932 C ILE A 62 0.701 -7.616 -9.317 1.00 0.00 C ATOM 933 O ILE A 62 -0.230 -8.115 -8.716 1.00 0.00 O ATOM 934 CB ILE A 62 2.450 -9.254 -10.096 1.00 0.00 C ATOM 935 CG1 ILE A 62 2.991 -9.999 -11.318 1.00 0.00 C ATOM 936 CG2 ILE A 62 1.908 -10.269 -9.088 1.00 0.00 C ATOM 937 CD1 ILE A 62 3.980 -11.074 -10.863 1.00 0.00 C ATOM 0 H ILE A 62 2.955 -7.492 -11.640 1.00 0.00 H new ATOM 0 HA ILE A 62 0.527 -8.852 -11.035 1.00 0.00 H new ATOM 0 HB ILE A 62 3.250 -8.673 -9.637 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.171 -10.455 -11.872 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.483 -9.300 -11.995 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.710 -10.940 -8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.520 -9.744 -8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.107 -10.848 -9.549 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.366 -11.605 -11.733 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.806 -10.605 -10.328 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.474 -11.778 -10.203 1.00 0.00 H new ATOM 949 N ILE A 63 1.190 -6.457 -8.967 1.00 0.00 N ATOM 950 CA ILE A 63 0.606 -5.724 -7.814 1.00 0.00 C ATOM 951 C ILE A 63 -0.775 -5.224 -8.207 1.00 0.00 C ATOM 952 O ILE A 63 -1.768 -5.544 -7.586 1.00 0.00 O ATOM 953 CB ILE A 63 1.570 -4.562 -7.561 1.00 0.00 C ATOM 954 CG1 ILE A 63 2.358 -4.836 -6.283 1.00 0.00 C ATOM 955 CG2 ILE A 63 0.791 -3.257 -7.417 1.00 0.00 C ATOM 956 CD1 ILE A 63 2.935 -6.247 -6.355 1.00 0.00 C ATOM 0 H ILE A 63 1.968 -5.989 -9.431 1.00 0.00 H new ATOM 0 HA ILE A 63 0.488 -6.336 -6.920 1.00 0.00 H new ATOM 0 HB ILE A 63 2.256 -4.470 -8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.159 -4.106 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.711 -4.737 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.486 -2.437 -7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.231 -3.065 -8.332 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.099 -3.337 -6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.501 -6.455 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.123 -6.968 -6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.594 -6.327 -7.220 1.00 0.00 H new ATOM 968 N GLN A 64 -0.848 -4.466 -9.258 1.00 0.00 N ATOM 969 CA GLN A 64 -2.177 -3.979 -9.709 1.00 0.00 C ATOM 970 C GLN A 64 -3.120 -5.176 -9.747 1.00 0.00 C ATOM 971 O GLN A 64 -4.305 -5.064 -9.508 1.00 0.00 O ATOM 972 CB GLN A 64 -1.950 -3.412 -11.110 1.00 0.00 C ATOM 973 CG GLN A 64 -2.045 -1.886 -11.065 1.00 0.00 C ATOM 974 CD GLN A 64 -2.333 -1.350 -12.469 1.00 0.00 C ATOM 975 OE1 GLN A 64 -1.426 -1.150 -13.253 1.00 0.00 O ATOM 976 NE2 GLN A 64 -3.566 -1.108 -12.821 1.00 0.00 N ATOM 0 H GLN A 64 -0.053 -4.163 -9.822 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.611 -3.221 -9.057 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.971 -3.715 -11.482 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.692 -3.813 -11.801 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.835 -1.580 -10.379 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.114 -1.464 -10.687 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.327 -1.276 -12.163 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.769 -0.751 -13.755 1.00 0.00 H new ATOM 985 N LYS A 65 -2.580 -6.334 -10.020 1.00 0.00 N ATOM 986 CA LYS A 65 -3.419 -7.561 -10.046 1.00 0.00 C ATOM 987 C LYS A 65 -3.852 -7.889 -8.618 1.00 0.00 C ATOM 988 O LYS A 65 -4.954 -8.341 -8.376 1.00 0.00 O ATOM 989 CB LYS A 65 -2.508 -8.657 -10.601 1.00 0.00 C ATOM 990 CG LYS A 65 -3.343 -9.659 -11.401 1.00 0.00 C ATOM 991 CD LYS A 65 -2.750 -11.059 -11.238 1.00 0.00 C ATOM 992 CE LYS A 65 -3.573 -11.847 -10.216 1.00 0.00 C ATOM 993 NZ LYS A 65 -4.371 -12.810 -11.025 1.00 0.00 N ATOM 0 H LYS A 65 -1.592 -6.480 -10.226 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.319 -7.452 -10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.740 -8.218 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.994 -9.165 -9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.376 -9.647 -11.054 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.357 -9.378 -12.454 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.747 -11.578 -12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.713 -10.990 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.929 -12.366 -9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.219 -11.188 -9.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.962 -13.387 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.979 -12.287 -11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.729 -13.429 -11.560 1.00 0.00 H new ATOM 1007 N ILE A 66 -2.988 -7.642 -7.670 1.00 0.00 N ATOM 1008 CA ILE A 66 -3.341 -7.914 -6.250 1.00 0.00 C ATOM 1009 C ILE A 66 -4.289 -6.823 -5.751 1.00 0.00 C ATOM 1010 O ILE A 66 -5.169 -7.061 -4.949 1.00 0.00 O ATOM 1011 CB ILE A 66 -2.008 -7.887 -5.493 1.00 0.00 C ATOM 1012 CG1 ILE A 66 -2.006 -8.991 -4.433 1.00 0.00 C ATOM 1013 CG2 ILE A 66 -1.812 -6.529 -4.812 1.00 0.00 C ATOM 1014 CD1 ILE A 66 -3.047 -8.671 -3.360 1.00 0.00 C ATOM 0 H ILE A 66 -2.053 -7.263 -7.820 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.849 -8.868 -6.110 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.195 -8.049 -6.200 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.228 -9.953 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.017 -9.075 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.862 -6.523 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.810 -5.741 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.625 -6.355 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.045 -9.457 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.805 -7.717 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.034 -8.610 -3.818 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.117 -5.628 -6.244 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.002 -4.505 -5.833 1.00 0.00 C ATOM 1028 C LEU A 67 -6.338 -4.617 -6.566 1.00 0.00 C ATOM 1029 O LEU A 67 -7.387 -4.325 -6.026 1.00 0.00 O ATOM 1030 CB LEU A 67 -4.255 -3.243 -6.267 1.00 0.00 C ATOM 1031 CG LEU A 67 -3.358 -2.765 -5.126 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -1.957 -3.350 -5.303 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -3.279 -1.236 -5.148 1.00 0.00 C ATOM 0 H LEU A 67 -3.394 -5.380 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.217 -4.502 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.655 -3.449 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.965 -2.462 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.772 -3.094 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.315 -3.010 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.013 -4.438 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.542 -3.019 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.640 -0.893 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.863 -0.907 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.278 -0.818 -5.025 1.00 0.00 H new ATOM 1045 N ASN A 68 -6.300 -5.044 -7.796 1.00 0.00 N ATOM 1046 CA ASN A 68 -7.555 -5.185 -8.580 1.00 0.00 C ATOM 1047 C ASN A 68 -8.137 -6.590 -8.394 1.00 0.00 C ATOM 1048 O ASN A 68 -9.150 -6.933 -8.968 1.00 0.00 O ATOM 1049 CB ASN A 68 -7.133 -4.968 -10.031 1.00 0.00 C ATOM 1050 CG ASN A 68 -8.137 -4.048 -10.726 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -9.193 -4.483 -11.140 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -7.849 -2.783 -10.873 1.00 0.00 N ATOM 0 H ASN A 68 -5.448 -5.303 -8.294 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.324 -4.479 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.136 -4.529 -10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.080 -5.924 -10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.511 -2.160 -11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.962 -2.418 -10.525 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.500 -7.404 -7.593 1.00 0.00 N ATOM 1060 CA LYS A 69 -8.015 -8.786 -7.371 1.00 0.00 C ATOM 1061 C LYS A 69 -9.159 -8.773 -6.363 1.00 0.00 C ATOM 1062 O LYS A 69 -9.596 -9.799 -5.882 1.00 0.00 O ATOM 1063 CB LYS A 69 -6.824 -9.580 -6.835 1.00 0.00 C ATOM 1064 CG LYS A 69 -6.350 -10.576 -7.896 1.00 0.00 C ATOM 1065 CD LYS A 69 -6.831 -11.981 -7.530 1.00 0.00 C ATOM 1066 CE LYS A 69 -5.962 -12.541 -6.401 1.00 0.00 C ATOM 1067 NZ LYS A 69 -6.579 -13.851 -6.055 1.00 0.00 N ATOM 0 H LYS A 69 -6.647 -7.171 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.412 -9.227 -8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.012 -8.902 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.107 -10.110 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.736 -10.292 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.262 -10.559 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.875 -11.950 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.778 -12.633 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.928 -12.664 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.951 -11.871 -5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.038 -14.297 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.561 -13.702 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.570 -14.471 -6.890 1.00 0.00 H new ATOM 1310 N LYS B 13 -14.710 5.916 4.746 1.00 0.00 N ATOM 1311 CA LYS B 13 -14.740 6.376 3.332 1.00 0.00 C ATOM 1312 C LYS B 13 -13.346 6.227 2.725 1.00 0.00 C ATOM 1313 O LYS B 13 -12.469 5.620 3.305 1.00 0.00 O ATOM 1314 CB LYS B 13 -15.128 7.851 3.396 1.00 0.00 C ATOM 1315 CG LYS B 13 -16.613 8.008 3.066 1.00 0.00 C ATOM 1316 CD LYS B 13 -16.831 9.326 2.319 1.00 0.00 C ATOM 1317 CE LYS B 13 -18.210 9.888 2.669 1.00 0.00 C ATOM 1318 NZ LYS B 13 -19.176 9.000 1.965 1.00 0.00 N ATOM 0 HA LYS B 13 -15.436 5.802 2.721 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -14.922 8.248 4.390 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -14.526 8.426 2.692 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -16.952 7.171 2.456 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -17.204 7.994 3.982 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -16.055 10.042 2.589 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -16.755 9.164 1.244 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -18.378 9.880 3.746 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -18.311 10.922 2.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -20.125 9.423 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -18.884 8.886 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -19.194 8.070 2.430 1.00 0.00 H new ATOM 1332 N THR B 14 -13.132 6.778 1.566 1.00 0.00 N ATOM 1333 CA THR B 14 -11.797 6.665 0.930 1.00 0.00 C ATOM 1334 C THR B 14 -11.635 7.733 -0.155 1.00 0.00 C ATOM 1335 O THR B 14 -12.600 8.223 -0.707 1.00 0.00 O ATOM 1336 CB THR B 14 -11.787 5.278 0.304 1.00 0.00 C ATOM 1337 OG1 THR B 14 -13.123 4.858 0.070 1.00 0.00 O ATOM 1338 CG2 THR B 14 -11.095 4.289 1.243 1.00 0.00 C ATOM 0 H THR B 14 -13.826 7.302 1.032 1.00 0.00 H new ATOM 0 HA THR B 14 -10.985 6.807 1.643 1.00 0.00 H new ATOM 0 HB THR B 14 -11.244 5.312 -0.640 1.00 0.00 H new ATOM 0 HG1 THR B 14 -13.119 3.965 -0.335 1.00 0.00 H new ATOM 0 HG21 THR B 14 -11.091 3.298 0.789 1.00 0.00 H new ATOM 0 HG22 THR B 14 -10.069 4.611 1.419 1.00 0.00 H new ATOM 0 HG23 THR B 14 -11.631 4.252 2.191 1.00 0.00 H new ATOM 1346 N LEU B 15 -10.421 8.092 -0.470 1.00 0.00 N ATOM 1347 CA LEU B 15 -10.195 9.118 -1.520 1.00 0.00 C ATOM 1348 C LEU B 15 -9.548 8.476 -2.747 1.00 0.00 C ATOM 1349 O LEU B 15 -8.803 7.524 -2.629 1.00 0.00 O ATOM 1350 CB LEU B 15 -9.240 10.122 -0.881 1.00 0.00 C ATOM 1351 CG LEU B 15 -9.929 10.807 0.300 1.00 0.00 C ATOM 1352 CD1 LEU B 15 -9.621 10.039 1.587 1.00 0.00 C ATOM 1353 CD2 LEU B 15 -9.410 12.240 0.426 1.00 0.00 C ATOM 0 H LEU B 15 -9.575 7.716 -0.042 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.121 9.586 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.336 9.615 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.933 10.865 -1.617 1.00 0.00 H new ATOM 0 HG LEU B 15 -11.006 10.821 0.136 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.112 10.527 2.429 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.987 9.016 1.497 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.544 10.025 1.754 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.899 12.731 1.267 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.333 12.224 0.592 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -9.628 12.788 -0.491 1.00 0.00 H new ATOM 1365 N PRO B 16 -9.851 9.026 -3.888 1.00 0.00 N ATOM 1366 CA PRO B 16 -9.291 8.509 -5.151 1.00 0.00 C ATOM 1367 C PRO B 16 -7.885 9.069 -5.354 1.00 0.00 C ATOM 1368 O PRO B 16 -7.123 8.590 -6.165 1.00 0.00 O ATOM 1369 CB PRO B 16 -10.246 9.049 -6.211 1.00 0.00 C ATOM 1370 CG PRO B 16 -10.862 10.276 -5.606 1.00 0.00 C ATOM 1371 CD PRO B 16 -10.738 10.170 -4.105 1.00 0.00 C ATOM 0 HA PRO B 16 -9.205 7.423 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -9.715 9.290 -7.132 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -11.008 8.312 -6.465 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -10.359 11.173 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -11.909 10.359 -5.897 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -10.322 11.082 -3.676 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -11.710 10.013 -3.637 1.00 0.00 H new ATOM 1379 N ARG B 17 -7.543 10.088 -4.619 1.00 0.00 N ATOM 1380 CA ARG B 17 -6.193 10.699 -4.761 1.00 0.00 C ATOM 1381 C ARG B 17 -5.945 11.673 -3.604 1.00 0.00 C ATOM 1382 O ARG B 17 -5.678 12.840 -3.810 1.00 0.00 O ATOM 1383 CB ARG B 17 -6.251 11.448 -6.092 1.00 0.00 C ATOM 1384 CG ARG B 17 -5.046 12.382 -6.211 1.00 0.00 C ATOM 1385 CD ARG B 17 -4.245 12.028 -7.465 1.00 0.00 C ATOM 1386 NE ARG B 17 -4.642 13.049 -8.475 1.00 0.00 N ATOM 1387 CZ ARG B 17 -3.921 14.125 -8.635 1.00 0.00 C ATOM 1388 NH1 ARG B 17 -4.061 15.131 -7.816 1.00 0.00 N ATOM 1389 NH2 ARG B 17 -3.059 14.193 -9.613 1.00 0.00 N ATOM 0 H ARG B 17 -8.144 10.527 -3.922 1.00 0.00 H new ATOM 0 HA ARG B 17 -5.388 9.964 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -6.256 10.739 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -7.176 12.021 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -5.380 13.418 -6.261 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -4.415 12.293 -5.327 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -3.173 12.060 -7.271 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -4.476 11.020 -7.810 1.00 0.00 H new ATOM 0 HE ARG B 17 -5.478 12.907 -9.042 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -4.734 15.076 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -3.498 15.972 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -2.949 13.405 -10.252 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -2.495 15.034 -9.738 1.00 0.00 H new ATOM 1403 N VAL B 18 -6.031 11.206 -2.386 1.00 0.00 N ATOM 1404 CA VAL B 18 -5.795 12.119 -1.223 1.00 0.00 C ATOM 1405 C VAL B 18 -4.576 12.986 -1.499 1.00 0.00 C ATOM 1406 O VAL B 18 -3.869 12.768 -2.458 1.00 0.00 O ATOM 1407 CB VAL B 18 -5.551 11.200 -0.023 1.00 0.00 C ATOM 1408 CG1 VAL B 18 -4.777 9.957 -0.468 1.00 0.00 C ATOM 1409 CG2 VAL B 18 -4.741 11.945 1.041 1.00 0.00 C ATOM 0 H VAL B 18 -6.253 10.240 -2.145 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.635 12.789 -1.040 1.00 0.00 H new ATOM 0 HB VAL B 18 -6.512 10.898 0.394 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -4.607 9.308 0.391 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -5.354 9.420 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -3.819 10.257 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -4.569 11.288 1.894 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -3.783 12.252 0.621 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.293 12.826 1.368 1.00 0.00 H new ATOM 1419 N ASP B 19 -4.322 13.961 -0.664 1.00 0.00 N ATOM 1420 CA ASP B 19 -3.137 14.837 -0.876 1.00 0.00 C ATOM 1421 C ASP B 19 -2.005 13.991 -1.454 1.00 0.00 C ATOM 1422 O ASP B 19 -1.099 13.570 -0.763 1.00 0.00 O ATOM 1423 CB ASP B 19 -2.804 15.348 0.519 1.00 0.00 C ATOM 1424 CG ASP B 19 -1.933 16.601 0.418 1.00 0.00 C ATOM 1425 OD1 ASP B 19 -1.536 16.935 -0.686 1.00 0.00 O ATOM 1426 OD2 ASP B 19 -1.677 17.205 1.447 1.00 0.00 O ATOM 0 H ASP B 19 -4.886 14.186 0.155 1.00 0.00 H new ATOM 0 HA ASP B 19 -3.305 15.661 -1.570 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -3.722 15.575 1.062 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -2.282 14.576 1.084 1.00 0.00 H new ATOM 1431 N PHE B 20 -2.100 13.704 -2.716 1.00 0.00 N ATOM 1432 CA PHE B 20 -1.099 12.840 -3.387 1.00 0.00 C ATOM 1433 C PHE B 20 0.334 13.259 -3.091 1.00 0.00 C ATOM 1434 O PHE B 20 1.037 12.614 -2.339 1.00 0.00 O ATOM 1435 CB PHE B 20 -1.403 12.983 -4.867 1.00 0.00 C ATOM 1436 CG PHE B 20 -1.333 11.620 -5.474 1.00 0.00 C ATOM 1437 CD1 PHE B 20 -2.400 10.733 -5.318 1.00 0.00 C ATOM 1438 CD2 PHE B 20 -0.191 11.236 -6.172 1.00 0.00 C ATOM 1439 CE1 PHE B 20 -2.326 9.455 -5.867 1.00 0.00 C ATOM 1440 CE2 PHE B 20 -0.112 9.961 -6.722 1.00 0.00 C ATOM 1441 CZ PHE B 20 -1.184 9.065 -6.569 1.00 0.00 C ATOM 0 H PHE B 20 -2.847 14.040 -3.325 1.00 0.00 H new ATOM 0 HA PHE B 20 -1.170 11.812 -3.033 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.391 13.418 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -0.686 13.652 -5.343 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -3.281 11.037 -4.773 1.00 0.00 H new ATOM 0 HD2 PHE B 20 0.631 11.927 -6.286 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -3.150 8.767 -5.750 1.00 0.00 H new ATOM 0 HE2 PHE B 20 0.771 9.660 -7.266 1.00 0.00 H new ATOM 0 HZ PHE B 20 -1.124 8.074 -6.995 1.00 0.00 H new ATOM 1451 N LYS B 21 0.793 14.308 -3.693 1.00 0.00 N ATOM 1452 CA LYS B 21 2.196 14.720 -3.451 1.00 0.00 C ATOM 1453 C LYS B 21 2.513 14.657 -1.947 1.00 0.00 C ATOM 1454 O LYS B 21 3.660 14.613 -1.549 1.00 0.00 O ATOM 1455 CB LYS B 21 2.291 16.155 -3.968 1.00 0.00 C ATOM 1456 CG LYS B 21 1.980 16.180 -5.466 1.00 0.00 C ATOM 1457 CD LYS B 21 3.138 16.839 -6.217 1.00 0.00 C ATOM 1458 CE LYS B 21 2.615 18.035 -7.016 1.00 0.00 C ATOM 1459 NZ LYS B 21 2.560 17.561 -8.426 1.00 0.00 N ATOM 0 H LYS B 21 0.265 14.896 -4.338 1.00 0.00 H new ATOM 0 HA LYS B 21 2.910 14.067 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS B 21 1.591 16.794 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS B 21 3.289 16.553 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS B 21 1.825 15.165 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS B 21 1.056 16.729 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS B 21 3.903 17.166 -5.513 1.00 0.00 H new ATOM 0 HD3 LYS B 21 3.608 16.119 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS B 21 1.631 18.344 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS B 21 3.275 18.897 -6.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 2.210 18.327 -9.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 3.512 17.280 -8.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 1.919 16.745 -8.493 1.00 0.00 H new ATOM 1473 N ASN B 22 1.504 14.649 -1.109 1.00 0.00 N ATOM 1474 CA ASN B 22 1.746 14.585 0.359 1.00 0.00 C ATOM 1475 C ASN B 22 1.812 13.131 0.816 1.00 0.00 C ATOM 1476 O ASN B 22 2.456 12.797 1.791 1.00 0.00 O ATOM 1477 CB ASN B 22 0.528 15.261 0.973 1.00 0.00 C ATOM 1478 CG ASN B 22 0.972 16.285 2.018 1.00 0.00 C ATOM 1479 OD1 ASN B 22 2.082 16.779 1.970 1.00 0.00 O ATOM 1480 ND2 ASN B 22 0.147 16.629 2.968 1.00 0.00 N ATOM 0 H ASN B 22 0.522 14.684 -1.384 1.00 0.00 H new ATOM 0 HA ASN B 22 2.684 15.060 0.647 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -0.057 15.752 0.195 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -0.119 14.515 1.434 1.00 0.00 H new ATOM 0 HD21 ASN B 22 0.433 17.312 3.670 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -0.784 16.215 3.009 1.00 0.00 H new ATOM 1487 N ILE B 23 1.129 12.273 0.120 1.00 0.00 N ATOM 1488 CA ILE B 23 1.113 10.833 0.498 1.00 0.00 C ATOM 1489 C ILE B 23 2.496 10.389 0.989 1.00 0.00 C ATOM 1490 O ILE B 23 3.380 10.101 0.205 1.00 0.00 O ATOM 1491 CB ILE B 23 0.739 10.081 -0.784 1.00 0.00 C ATOM 1492 CG1 ILE B 23 -0.569 10.626 -1.363 1.00 0.00 C ATOM 1493 CG2 ILE B 23 0.559 8.599 -0.477 1.00 0.00 C ATOM 1494 CD1 ILE B 23 -1.687 10.536 -0.328 1.00 0.00 C ATOM 0 H ILE B 23 0.575 12.507 -0.703 1.00 0.00 H new ATOM 0 HA ILE B 23 0.410 10.637 1.308 1.00 0.00 H new ATOM 0 HB ILE B 23 1.540 10.219 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -0.433 11.662 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -0.843 10.061 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE B 23 0.293 8.068 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.490 8.194 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -0.235 8.474 0.259 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -2.610 10.927 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -1.833 9.495 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -1.417 11.121 0.551 1.00 0.00 H new ATOM 1506 N GLN B 24 2.689 10.323 2.279 1.00 0.00 N ATOM 1507 CA GLN B 24 4.011 9.888 2.818 1.00 0.00 C ATOM 1508 C GLN B 24 3.970 8.400 3.169 1.00 0.00 C ATOM 1509 O GLN B 24 4.934 7.835 3.646 1.00 0.00 O ATOM 1510 CB GLN B 24 4.227 10.733 4.074 1.00 0.00 C ATOM 1511 CG GLN B 24 5.725 10.962 4.285 1.00 0.00 C ATOM 1512 CD GLN B 24 6.074 10.752 5.759 1.00 0.00 C ATOM 1513 OE1 GLN B 24 5.516 9.891 6.411 1.00 0.00 O ATOM 1514 NE2 GLN B 24 6.980 11.507 6.316 1.00 0.00 N ATOM 0 H GLN B 24 1.988 10.552 2.984 1.00 0.00 H new ATOM 0 HA GLN B 24 4.817 10.023 2.097 1.00 0.00 H new ATOM 0 HB2 GLN B 24 3.713 11.689 3.975 1.00 0.00 H new ATOM 0 HB3 GLN B 24 3.800 10.230 4.941 1.00 0.00 H new ATOM 0 HG2 GLN B 24 6.299 10.275 3.664 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.996 11.972 3.977 1.00 0.00 H new ATOM 0 HE21 GLN B 24 7.448 12.229 5.769 1.00 0.00 H new ATOM 0 HE22 GLN B 24 7.220 11.375 7.298 1.00 0.00 H new ATOM 1523 N SER B 25 2.860 7.761 2.928 1.00 0.00 N ATOM 1524 CA SER B 25 2.748 6.308 3.237 1.00 0.00 C ATOM 1525 C SER B 25 1.457 5.752 2.633 1.00 0.00 C ATOM 1526 O SER B 25 0.528 6.483 2.357 1.00 0.00 O ATOM 1527 CB SER B 25 2.712 6.222 4.762 1.00 0.00 C ATOM 1528 OG SER B 25 1.365 6.076 5.192 1.00 0.00 O ATOM 0 H SER B 25 2.022 8.184 2.529 1.00 0.00 H new ATOM 0 HA SER B 25 3.574 5.729 2.824 1.00 0.00 H new ATOM 0 HB2 SER B 25 3.309 5.377 5.104 1.00 0.00 H new ATOM 0 HB3 SER B 25 3.150 7.119 5.199 1.00 0.00 H new ATOM 0 HG SER B 25 1.338 6.019 6.170 1.00 0.00 H new ATOM 1534 N LEU B 26 1.394 4.469 2.418 1.00 0.00 N ATOM 1535 CA LEU B 26 0.162 3.881 1.822 1.00 0.00 C ATOM 1536 C LEU B 26 -0.123 2.505 2.426 1.00 0.00 C ATOM 1537 O LEU B 26 0.735 1.890 3.025 1.00 0.00 O ATOM 1538 CB LEU B 26 0.471 3.754 0.331 1.00 0.00 C ATOM 1539 CG LEU B 26 -0.356 4.776 -0.450 1.00 0.00 C ATOM 1540 CD1 LEU B 26 -0.091 4.610 -1.948 1.00 0.00 C ATOM 1541 CD2 LEU B 26 -1.841 4.547 -0.167 1.00 0.00 C ATOM 0 H LEU B 26 2.138 3.804 2.628 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.718 4.495 2.011 1.00 0.00 H new ATOM 0 HB2 LEU B 26 1.534 3.919 0.154 1.00 0.00 H new ATOM 0 HB3 LEU B 26 0.243 2.746 -0.014 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.076 5.784 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -0.681 5.338 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU B 26 0.968 4.770 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -0.372 3.603 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -2.434 5.274 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -2.119 3.540 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -2.030 4.664 0.900 1.00 0.00 H new ATOM 1553 N SER B 27 -1.324 2.022 2.268 1.00 0.00 N ATOM 1554 CA SER B 27 -1.677 0.684 2.821 1.00 0.00 C ATOM 1555 C SER B 27 -2.876 0.111 2.061 1.00 0.00 C ATOM 1556 O SER B 27 -3.966 0.642 2.113 1.00 0.00 O ATOM 1557 CB SER B 27 -2.035 0.934 4.284 1.00 0.00 C ATOM 1558 OG SER B 27 -1.097 0.268 5.119 1.00 0.00 O ATOM 0 H SER B 27 -2.080 2.499 1.777 1.00 0.00 H new ATOM 0 HA SER B 27 -0.862 -0.033 2.726 1.00 0.00 H new ATOM 0 HB2 SER B 27 -2.030 2.004 4.494 1.00 0.00 H new ATOM 0 HB3 SER B 27 -3.043 0.573 4.490 1.00 0.00 H new ATOM 0 HG SER B 27 -0.217 0.687 5.021 1.00 0.00 H new ATOM 1564 N VAL B 28 -2.684 -0.961 1.344 1.00 0.00 N ATOM 1565 CA VAL B 28 -3.819 -1.545 0.572 1.00 0.00 C ATOM 1566 C VAL B 28 -4.272 -2.871 1.188 1.00 0.00 C ATOM 1567 O VAL B 28 -3.478 -3.749 1.458 1.00 0.00 O ATOM 1568 CB VAL B 28 -3.264 -1.770 -0.834 1.00 0.00 C ATOM 1569 CG1 VAL B 28 -4.290 -2.537 -1.671 1.00 0.00 C ATOM 1570 CG2 VAL B 28 -2.981 -0.417 -1.490 1.00 0.00 C ATOM 0 H VAL B 28 -1.796 -1.456 1.258 1.00 0.00 H new ATOM 0 HA VAL B 28 -4.691 -0.890 0.572 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.341 -2.347 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.894 -2.698 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.495 -3.500 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -5.213 -1.960 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.585 -0.575 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -3.905 0.158 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -2.251 0.131 -0.894 1.00 0.00 H new ATOM 1580 N THR B 29 -5.550 -3.017 1.403 1.00 0.00 N ATOM 1581 CA THR B 29 -6.076 -4.281 1.991 1.00 0.00 C ATOM 1582 C THR B 29 -7.388 -4.659 1.300 1.00 0.00 C ATOM 1583 O THR B 29 -8.157 -3.799 0.919 1.00 0.00 O ATOM 1584 CB THR B 29 -6.312 -3.964 3.469 1.00 0.00 C ATOM 1585 OG1 THR B 29 -6.474 -5.177 4.192 1.00 0.00 O ATOM 1586 CG2 THR B 29 -7.572 -3.108 3.617 1.00 0.00 C ATOM 0 H THR B 29 -6.257 -2.311 1.196 1.00 0.00 H new ATOM 0 HA THR B 29 -5.392 -5.121 1.867 1.00 0.00 H new ATOM 0 HB THR B 29 -5.456 -3.416 3.863 1.00 0.00 H new ATOM 0 HG1 THR B 29 -6.624 -4.976 5.139 1.00 0.00 H new ATOM 0 HG21 THR B 29 -7.738 -2.884 4.671 1.00 0.00 H new ATOM 0 HG22 THR B 29 -7.447 -2.178 3.063 1.00 0.00 H new ATOM 0 HG23 THR B 29 -8.430 -3.652 3.223 1.00 0.00 H new ATOM 1594 N PRO B 30 -7.595 -5.937 1.150 1.00 0.00 N ATOM 1595 CA PRO B 30 -8.823 -6.434 0.483 1.00 0.00 C ATOM 1596 C PRO B 30 -10.056 -6.201 1.360 1.00 0.00 C ATOM 1597 O PRO B 30 -9.952 -5.718 2.471 1.00 0.00 O ATOM 1598 CB PRO B 30 -8.549 -7.926 0.300 1.00 0.00 C ATOM 1599 CG PRO B 30 -7.546 -8.266 1.355 1.00 0.00 C ATOM 1600 CD PRO B 30 -6.717 -7.029 1.582 1.00 0.00 C ATOM 0 HA PRO B 30 -9.033 -5.924 -0.457 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -9.460 -8.512 0.418 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -8.161 -8.137 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -8.042 -8.573 2.276 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -6.919 -9.099 1.038 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -6.433 -6.924 2.629 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -5.794 -7.054 1.003 1.00 0.00 H new ATOM 1608 N PRO B 31 -11.191 -6.550 0.816 1.00 0.00 N ATOM 1609 CA PRO B 31 -12.479 -6.375 1.535 1.00 0.00 C ATOM 1610 C PRO B 31 -12.601 -7.363 2.697 1.00 0.00 C ATOM 1611 O PRO B 31 -11.681 -8.089 3.014 1.00 0.00 O ATOM 1612 CB PRO B 31 -13.527 -6.673 0.466 1.00 0.00 C ATOM 1613 CG PRO B 31 -12.829 -7.547 -0.523 1.00 0.00 C ATOM 1614 CD PRO B 31 -11.381 -7.138 -0.515 1.00 0.00 C ATOM 0 HA PRO B 31 -12.583 -5.383 1.975 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -14.395 -7.175 0.893 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -13.886 -5.756 -0.001 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -12.936 -8.598 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -13.260 -7.427 -1.517 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -10.723 -7.993 -0.672 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -11.164 -6.419 -1.305 1.00 0.00 H new ATOM 1697 N THR B 38 -12.802 -3.852 -1.131 1.00 0.00 N ATOM 1698 CA THR B 38 -11.348 -3.549 -0.990 1.00 0.00 C ATOM 1699 C THR B 38 -11.166 -2.106 -0.519 1.00 0.00 C ATOM 1700 O THR B 38 -11.979 -1.247 -0.798 1.00 0.00 O ATOM 1701 CB THR B 38 -10.764 -3.732 -2.392 1.00 0.00 C ATOM 1702 OG1 THR B 38 -11.621 -4.572 -3.153 1.00 0.00 O ATOM 1703 CG2 THR B 38 -9.376 -4.369 -2.296 1.00 0.00 C ATOM 0 HA THR B 38 -10.857 -4.193 -0.261 1.00 0.00 H new ATOM 0 HB THR B 38 -10.679 -2.760 -2.878 1.00 0.00 H new ATOM 0 HG1 THR B 38 -12.546 -4.455 -2.851 1.00 0.00 H new ATOM 0 HG21 THR B 38 -8.964 -4.497 -3.297 1.00 0.00 H new ATOM 0 HG22 THR B 38 -8.719 -3.723 -1.713 1.00 0.00 H new ATOM 0 HG23 THR B 38 -9.455 -5.341 -1.809 1.00 0.00 H new ATOM 1711 N GLU B 39 -10.114 -1.829 0.197 1.00 0.00 N ATOM 1712 CA GLU B 39 -9.902 -0.440 0.684 1.00 0.00 C ATOM 1713 C GLU B 39 -8.412 -0.147 0.866 1.00 0.00 C ATOM 1714 O GLU B 39 -7.612 -1.042 1.060 1.00 0.00 O ATOM 1715 CB GLU B 39 -10.625 -0.387 2.025 1.00 0.00 C ATOM 1716 CG GLU B 39 -11.130 1.031 2.257 1.00 0.00 C ATOM 1717 CD GLU B 39 -12.461 0.986 3.009 1.00 0.00 C ATOM 1718 OE1 GLU B 39 -12.723 -0.018 3.652 1.00 0.00 O ATOM 1719 OE2 GLU B 39 -13.197 1.956 2.931 1.00 0.00 O ATOM 0 H GLU B 39 -9.395 -2.501 0.465 1.00 0.00 H new ATOM 0 HA GLU B 39 -10.277 0.303 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.458 -1.090 2.032 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.951 -0.683 2.829 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.397 1.600 2.829 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.257 1.543 1.303 1.00 0.00 H new ATOM 1726 N VAL B 40 -8.032 1.102 0.806 1.00 0.00 N ATOM 1727 CA VAL B 40 -6.592 1.448 0.977 1.00 0.00 C ATOM 1728 C VAL B 40 -6.414 2.477 2.096 1.00 0.00 C ATOM 1729 O VAL B 40 -7.369 3.007 2.629 1.00 0.00 O ATOM 1730 CB VAL B 40 -6.170 2.044 -0.365 1.00 0.00 C ATOM 1731 CG1 VAL B 40 -4.660 2.290 -0.367 1.00 0.00 C ATOM 1732 CG2 VAL B 40 -6.528 1.070 -1.486 1.00 0.00 C ATOM 0 H VAL B 40 -8.654 1.894 0.647 1.00 0.00 H new ATOM 0 HA VAL B 40 -5.992 0.580 1.251 1.00 0.00 H new ATOM 0 HB VAL B 40 -6.690 2.989 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -4.362 2.715 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -4.403 2.984 0.433 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -4.137 1.346 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -6.228 1.493 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -6.008 0.125 -1.327 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -7.604 0.896 -1.487 1.00 0.00 H new ATOM 1742 N ILE B 41 -5.191 2.766 2.443 1.00 0.00 N ATOM 1743 CA ILE B 41 -4.921 3.764 3.516 1.00 0.00 C ATOM 1744 C ILE B 41 -3.629 4.507 3.192 1.00 0.00 C ATOM 1745 O ILE B 41 -2.587 3.908 3.020 1.00 0.00 O ATOM 1746 CB ILE B 41 -4.765 2.949 4.798 1.00 0.00 C ATOM 1747 CG1 ILE B 41 -6.103 2.303 5.163 1.00 0.00 C ATOM 1748 CG2 ILE B 41 -4.317 3.868 5.937 1.00 0.00 C ATOM 1749 CD1 ILE B 41 -6.075 0.823 4.779 1.00 0.00 C ATOM 0 H ILE B 41 -4.359 2.350 2.025 1.00 0.00 H new ATOM 0 HA ILE B 41 -5.715 4.505 3.612 1.00 0.00 H new ATOM 0 HB ILE B 41 -4.018 2.171 4.641 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -6.291 2.409 6.231 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -6.917 2.809 4.644 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -4.206 3.286 6.852 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.362 4.327 5.680 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -5.064 4.647 6.091 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -7.028 0.362 5.039 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -5.906 0.729 3.706 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -5.271 0.322 5.318 1.00 0.00 H new ATOM 1761 N ALA B 42 -3.685 5.800 3.087 1.00 0.00 N ATOM 1762 CA ALA B 42 -2.453 6.559 2.750 1.00 0.00 C ATOM 1763 C ALA B 42 -2.229 7.705 3.732 1.00 0.00 C ATOM 1764 O ALA B 42 -3.159 8.332 4.197 1.00 0.00 O ATOM 1765 CB ALA B 42 -2.715 7.109 1.352 1.00 0.00 C ATOM 0 H ALA B 42 -4.525 6.363 3.219 1.00 0.00 H new ATOM 0 HA ALA B 42 -1.562 5.932 2.798 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -1.852 7.687 1.021 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -2.885 6.283 0.662 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -3.595 7.751 1.373 1.00 0.00 H new ATOM 1771 N THR B 43 -0.994 8.001 4.025 1.00 0.00 N ATOM 1772 CA THR B 43 -0.697 9.125 4.953 1.00 0.00 C ATOM 1773 C THR B 43 -0.107 10.276 4.149 1.00 0.00 C ATOM 1774 O THR B 43 0.496 10.073 3.118 1.00 0.00 O ATOM 1775 CB THR B 43 0.331 8.585 5.946 1.00 0.00 C ATOM 1776 OG1 THR B 43 -0.290 7.629 6.797 1.00 0.00 O ATOM 1777 CG2 THR B 43 0.883 9.741 6.785 1.00 0.00 C ATOM 0 H THR B 43 -0.176 7.512 3.661 1.00 0.00 H new ATOM 0 HA THR B 43 -1.584 9.489 5.471 1.00 0.00 H new ATOM 0 HB THR B 43 1.148 8.109 5.404 1.00 0.00 H new ATOM 0 HG1 THR B 43 0.369 7.281 7.433 1.00 0.00 H new ATOM 0 HG21 THR B 43 1.617 9.358 7.494 1.00 0.00 H new ATOM 0 HG22 THR B 43 1.358 10.471 6.130 1.00 0.00 H new ATOM 0 HG23 THR B 43 0.067 10.218 7.329 1.00 0.00 H new ATOM 1785 N LEU B 44 -0.299 11.481 4.590 1.00 0.00 N ATOM 1786 CA LEU B 44 0.227 12.638 3.821 1.00 0.00 C ATOM 1787 C LEU B 44 1.405 13.295 4.537 1.00 0.00 C ATOM 1788 O LEU B 44 1.683 13.020 5.687 1.00 0.00 O ATOM 1789 CB LEU B 44 -0.953 13.592 3.764 1.00 0.00 C ATOM 1790 CG LEU B 44 -2.193 12.837 3.294 1.00 0.00 C ATOM 1791 CD1 LEU B 44 -3.327 13.829 3.049 1.00 0.00 C ATOM 1792 CD2 LEU B 44 -1.869 12.093 2.000 1.00 0.00 C ATOM 0 H LEU B 44 -0.797 11.717 5.449 1.00 0.00 H new ATOM 0 HA LEU B 44 0.600 12.348 2.838 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.130 14.028 4.747 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -0.736 14.416 3.084 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.500 12.121 4.056 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -4.214 13.292 2.713 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -3.553 14.359 3.974 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.025 14.545 2.285 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.752 11.552 1.660 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -1.565 12.808 1.235 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -1.058 11.387 2.179 1.00 0.00 H new ATOM 1804 N LYS B 45 2.096 14.168 3.856 1.00 0.00 N ATOM 1805 CA LYS B 45 3.256 14.855 4.486 1.00 0.00 C ATOM 1806 C LYS B 45 2.756 15.953 5.428 1.00 0.00 C ATOM 1807 O LYS B 45 2.031 16.844 5.031 1.00 0.00 O ATOM 1808 CB LYS B 45 4.053 15.442 3.314 1.00 0.00 C ATOM 1809 CG LYS B 45 4.283 16.942 3.524 1.00 0.00 C ATOM 1810 CD LYS B 45 5.141 17.492 2.382 1.00 0.00 C ATOM 1811 CE LYS B 45 6.617 17.449 2.783 1.00 0.00 C ATOM 1812 NZ LYS B 45 7.260 18.540 2.000 1.00 0.00 N ATOM 0 H LYS B 45 1.906 14.434 2.890 1.00 0.00 H new ATOM 0 HA LYS B 45 3.872 14.185 5.086 1.00 0.00 H new ATOM 0 HB2 LYS B 45 5.011 14.930 3.224 1.00 0.00 H new ATOM 0 HB3 LYS B 45 3.515 15.277 2.381 1.00 0.00 H new ATOM 0 HG2 LYS B 45 3.328 17.466 3.560 1.00 0.00 H new ATOM 0 HG3 LYS B 45 4.777 17.115 4.480 1.00 0.00 H new ATOM 0 HD2 LYS B 45 4.982 16.904 1.478 1.00 0.00 H new ATOM 0 HD3 LYS B 45 4.846 18.516 2.152 1.00 0.00 H new ATOM 0 HE2 LYS B 45 6.740 17.607 3.855 1.00 0.00 H new ATOM 0 HE3 LYS B 45 7.061 16.481 2.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 8.276 18.574 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 7.133 18.359 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 6.821 19.450 2.247 1.00 0.00 H new ATOM 1826 N GLY B 46 3.132 15.890 6.673 1.00 0.00 N ATOM 1827 CA GLY B 46 2.675 16.923 7.638 1.00 0.00 C ATOM 1828 C GLY B 46 1.984 16.247 8.823 1.00 0.00 C ATOM 1829 O GLY B 46 2.111 16.677 9.952 1.00 0.00 O ATOM 0 H GLY B 46 3.736 15.167 7.063 1.00 0.00 H new ATOM 0 HA2 GLY B 46 3.524 17.511 7.986 1.00 0.00 H new ATOM 0 HA3 GLY B 46 1.988 17.614 7.149 1.00 0.00 H new ATOM 1833 N GLY B 47 1.251 15.193 8.581 1.00 0.00 N ATOM 1834 CA GLY B 47 0.559 14.503 9.701 1.00 0.00 C ATOM 1835 C GLY B 47 -0.940 14.456 9.421 1.00 0.00 C ATOM 1836 O GLY B 47 -1.729 15.109 10.074 1.00 0.00 O ATOM 0 H GLY B 47 1.104 14.783 7.659 1.00 0.00 H new ATOM 0 HA2 GLY B 47 0.950 13.492 9.817 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.749 15.027 10.638 1.00 0.00 H new ATOM 1840 N GLN B 48 -1.336 13.686 8.452 1.00 0.00 N ATOM 1841 CA GLN B 48 -2.780 13.580 8.114 1.00 0.00 C ATOM 1842 C GLN B 48 -3.000 12.380 7.198 1.00 0.00 C ATOM 1843 O GLN B 48 -2.795 12.451 6.004 1.00 0.00 O ATOM 1844 CB GLN B 48 -3.118 14.885 7.389 1.00 0.00 C ATOM 1845 CG GLN B 48 -4.062 15.720 8.256 1.00 0.00 C ATOM 1846 CD GLN B 48 -4.705 16.816 7.405 1.00 0.00 C ATOM 1847 OE1 GLN B 48 -5.913 16.896 7.309 1.00 0.00 O ATOM 1848 NE2 GLN B 48 -3.943 17.670 6.779 1.00 0.00 N ATOM 0 H GLN B 48 -0.716 13.119 7.873 1.00 0.00 H new ATOM 0 HA GLN B 48 -3.409 13.438 8.993 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -2.206 15.445 7.182 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.585 14.669 6.428 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -4.833 15.083 8.690 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -3.512 16.165 9.085 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -2.928 17.603 6.860 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -4.362 18.405 6.209 1.00 0.00 H new ATOM 1857 N LYS B 49 -3.397 11.270 7.751 1.00 0.00 N ATOM 1858 CA LYS B 49 -3.610 10.058 6.918 1.00 0.00 C ATOM 1859 C LYS B 49 -5.095 9.747 6.795 1.00 0.00 C ATOM 1860 O LYS B 49 -5.931 10.336 7.451 1.00 0.00 O ATOM 1861 CB LYS B 49 -2.891 8.947 7.680 1.00 0.00 C ATOM 1862 CG LYS B 49 -3.197 7.578 7.072 1.00 0.00 C ATOM 1863 CD LYS B 49 -4.544 7.072 7.590 1.00 0.00 C ATOM 1864 CE LYS B 49 -4.320 5.858 8.494 1.00 0.00 C ATOM 1865 NZ LYS B 49 -5.675 5.274 8.697 1.00 0.00 N ATOM 0 H LYS B 49 -3.583 11.150 8.747 1.00 0.00 H new ATOM 0 HA LYS B 49 -3.235 10.179 5.902 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -1.816 9.125 7.661 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -3.198 8.961 8.726 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -3.218 7.649 5.985 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -2.409 6.871 7.330 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -5.053 7.862 8.143 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -5.189 6.802 6.754 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -3.646 5.139 8.029 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -3.870 6.150 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -5.818 5.073 9.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -6.396 5.949 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -5.758 4.391 8.153 1.00 0.00 H new ATOM 1879 N VAL B 50 -5.416 8.820 5.952 1.00 0.00 N ATOM 1880 CA VAL B 50 -6.845 8.439 5.755 1.00 0.00 C ATOM 1881 C VAL B 50 -6.943 7.166 4.905 1.00 0.00 C ATOM 1882 O VAL B 50 -5.992 6.422 4.773 1.00 0.00 O ATOM 1883 CB VAL B 50 -7.473 9.631 5.026 1.00 0.00 C ATOM 1884 CG1 VAL B 50 -7.261 9.487 3.517 1.00 0.00 C ATOM 1885 CG2 VAL B 50 -8.974 9.682 5.327 1.00 0.00 C ATOM 0 H VAL B 50 -4.749 8.300 5.382 1.00 0.00 H new ATOM 0 HA VAL B 50 -7.352 8.226 6.696 1.00 0.00 H new ATOM 0 HB VAL B 50 -7.000 10.551 5.370 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -7.710 10.337 3.004 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -6.193 9.455 3.301 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -7.729 8.566 3.170 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -9.421 10.530 4.808 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -9.445 8.760 4.987 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -9.126 9.792 6.401 1.00 0.00 H new ATOM 1895 N CYS B 51 -8.087 6.912 4.326 1.00 0.00 N ATOM 1896 CA CYS B 51 -8.248 5.696 3.488 1.00 0.00 C ATOM 1897 C CYS B 51 -8.361 6.093 2.017 1.00 0.00 C ATOM 1898 O CYS B 51 -8.826 7.166 1.690 1.00 0.00 O ATOM 1899 CB CYS B 51 -9.541 5.058 3.983 1.00 0.00 C ATOM 1900 SG CYS B 51 -9.296 4.429 5.662 1.00 0.00 S ATOM 0 H CYS B 51 -8.918 7.499 4.400 1.00 0.00 H new ATOM 0 HA CYS B 51 -7.403 5.011 3.565 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -10.348 5.790 3.971 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.837 4.246 3.318 1.00 0.00 H new ATOM 0 HG CYS B 51 -10.398 3.886 6.087 1.00 0.00 H new ATOM 1905 N LEU B 52 -7.916 5.250 1.125 1.00 0.00 N ATOM 1906 CA LEU B 52 -7.974 5.598 -0.309 1.00 0.00 C ATOM 1907 C LEU B 52 -9.013 4.749 -1.042 1.00 0.00 C ATOM 1908 O LEU B 52 -9.455 3.728 -0.553 1.00 0.00 O ATOM 1909 CB LEU B 52 -6.573 5.278 -0.800 1.00 0.00 C ATOM 1910 CG LEU B 52 -5.906 6.552 -1.310 1.00 0.00 C ATOM 1911 CD1 LEU B 52 -4.389 6.382 -1.253 1.00 0.00 C ATOM 1912 CD2 LEU B 52 -6.339 6.818 -2.752 1.00 0.00 C ATOM 0 H LEU B 52 -7.516 4.336 1.335 1.00 0.00 H new ATOM 0 HA LEU B 52 -8.266 6.634 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.983 4.845 0.008 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.617 4.535 -1.596 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.204 7.395 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -3.907 7.290 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -4.082 6.195 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -4.094 5.539 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -5.861 7.729 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -6.043 5.979 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -7.422 6.937 -2.791 1.00 0.00 H new ATOM 1924 N ASP B 53 -9.394 5.181 -2.216 1.00 0.00 N ATOM 1925 CA ASP B 53 -10.404 4.436 -3.027 1.00 0.00 C ATOM 1926 C ASP B 53 -10.163 2.921 -2.955 1.00 0.00 C ATOM 1927 O ASP B 53 -9.455 2.445 -2.091 1.00 0.00 O ATOM 1928 CB ASP B 53 -10.188 4.953 -4.451 1.00 0.00 C ATOM 1929 CG ASP B 53 -11.516 5.453 -5.023 1.00 0.00 C ATOM 1930 OD1 ASP B 53 -12.247 6.103 -4.293 1.00 0.00 O ATOM 1931 OD2 ASP B 53 -11.779 5.177 -6.182 1.00 0.00 O ATOM 0 H ASP B 53 -9.042 6.032 -2.654 1.00 0.00 H new ATOM 0 HA ASP B 53 -11.422 4.593 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -9.455 5.760 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -9.786 4.159 -5.080 1.00 0.00 H new ATOM 1936 N PRO B 54 -10.763 2.204 -3.869 1.00 0.00 N ATOM 1937 CA PRO B 54 -10.606 0.736 -3.890 1.00 0.00 C ATOM 1938 C PRO B 54 -9.317 0.388 -4.621 1.00 0.00 C ATOM 1939 O PRO B 54 -9.319 0.112 -5.803 1.00 0.00 O ATOM 1940 CB PRO B 54 -11.831 0.262 -4.664 1.00 0.00 C ATOM 1941 CG PRO B 54 -12.241 1.421 -5.526 1.00 0.00 C ATOM 1942 CD PRO B 54 -11.620 2.680 -4.961 1.00 0.00 C ATOM 0 HA PRO B 54 -10.542 0.276 -2.904 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -11.597 -0.613 -5.270 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -12.635 -0.026 -3.987 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -11.913 1.264 -6.553 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -13.327 1.511 -5.549 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -11.042 3.212 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.381 3.370 -4.597 1.00 0.00 H new ATOM 1950 N GLU B 55 -8.207 0.439 -3.939 1.00 0.00 N ATOM 1951 CA GLU B 55 -6.917 0.159 -4.619 1.00 0.00 C ATOM 1952 C GLU B 55 -6.682 1.280 -5.628 1.00 0.00 C ATOM 1953 O GLU B 55 -5.932 1.144 -6.574 1.00 0.00 O ATOM 1954 CB GLU B 55 -7.107 -1.203 -5.304 1.00 0.00 C ATOM 1955 CG GLU B 55 -7.287 -1.032 -6.817 1.00 0.00 C ATOM 1956 CD GLU B 55 -8.243 -2.105 -7.340 1.00 0.00 C ATOM 1957 OE1 GLU B 55 -8.976 -2.659 -6.538 1.00 0.00 O ATOM 1958 OE2 GLU B 55 -8.224 -2.356 -8.533 1.00 0.00 O ATOM 0 H GLU B 55 -8.139 0.661 -2.946 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.056 0.122 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.244 -1.838 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -7.977 -1.708 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -7.681 -0.040 -7.038 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -6.323 -1.112 -7.320 1.00 0.00 H new ATOM 1965 N ALA B 56 -7.351 2.387 -5.429 1.00 0.00 N ATOM 1966 CA ALA B 56 -7.215 3.531 -6.366 1.00 0.00 C ATOM 1967 C ALA B 56 -7.210 3.009 -7.802 1.00 0.00 C ATOM 1968 O ALA B 56 -6.187 2.985 -8.452 1.00 0.00 O ATOM 1969 CB ALA B 56 -5.881 4.197 -6.009 1.00 0.00 C ATOM 0 H ALA B 56 -7.990 2.544 -4.649 1.00 0.00 H new ATOM 0 HA ALA B 56 -8.036 4.243 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -5.715 5.053 -6.664 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -5.908 4.533 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -5.070 3.480 -6.137 1.00 0.00 H new ATOM 1975 N PRO B 57 -8.372 2.599 -8.245 1.00 0.00 N ATOM 1976 CA PRO B 57 -8.520 2.064 -9.619 1.00 0.00 C ATOM 1977 C PRO B 57 -8.396 3.206 -10.621 1.00 0.00 C ATOM 1978 O PRO B 57 -7.351 3.425 -11.199 1.00 0.00 O ATOM 1979 CB PRO B 57 -9.924 1.469 -9.628 1.00 0.00 C ATOM 1980 CG PRO B 57 -10.662 2.204 -8.556 1.00 0.00 C ATOM 1981 CD PRO B 57 -9.645 2.603 -7.515 1.00 0.00 C ATOM 0 HA PRO B 57 -7.763 1.327 -9.889 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.403 1.601 -10.598 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -9.900 0.398 -9.428 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -11.161 3.083 -8.964 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.435 1.573 -8.118 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.864 3.586 -7.099 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.630 1.901 -6.682 1.00 0.00 H new ATOM 1989 N LEU B 58 -9.440 3.957 -10.818 1.00 0.00 N ATOM 1990 CA LEU B 58 -9.338 5.094 -11.763 1.00 0.00 C ATOM 1991 C LEU B 58 -8.062 5.871 -11.450 1.00 0.00 C ATOM 1992 O LEU B 58 -7.393 6.372 -12.332 1.00 0.00 O ATOM 1993 CB LEU B 58 -10.578 5.951 -11.498 1.00 0.00 C ATOM 1994 CG LEU B 58 -11.810 5.256 -12.079 1.00 0.00 C ATOM 1995 CD1 LEU B 58 -13.073 5.835 -11.438 1.00 0.00 C ATOM 1996 CD2 LEU B 58 -11.856 5.483 -13.591 1.00 0.00 C ATOM 0 H LEU B 58 -10.348 3.834 -10.371 1.00 0.00 H new ATOM 0 HA LEU B 58 -9.294 4.784 -12.807 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -10.705 6.105 -10.426 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -10.456 6.936 -11.949 1.00 0.00 H new ATOM 0 HG LEU B 58 -11.756 4.187 -11.872 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -13.951 5.340 -11.852 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -13.040 5.675 -10.360 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -13.128 6.904 -11.644 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -12.734 4.988 -14.007 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -11.911 6.552 -13.797 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -10.957 5.071 -14.048 1.00 0.00 H new ATOM 2008 N VAL B 59 -7.712 5.965 -10.191 1.00 0.00 N ATOM 2009 CA VAL B 59 -6.470 6.702 -9.818 1.00 0.00 C ATOM 2010 C VAL B 59 -5.266 5.752 -9.772 1.00 0.00 C ATOM 2011 O VAL B 59 -4.169 6.148 -9.431 1.00 0.00 O ATOM 2012 CB VAL B 59 -6.750 7.272 -8.434 1.00 0.00 C ATOM 2013 CG1 VAL B 59 -5.521 8.044 -7.951 1.00 0.00 C ATOM 2014 CG2 VAL B 59 -7.953 8.215 -8.508 1.00 0.00 C ATOM 0 H VAL B 59 -8.231 5.564 -9.410 1.00 0.00 H new ATOM 0 HA VAL B 59 -6.226 7.479 -10.542 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.968 6.462 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -5.715 8.455 -6.960 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.664 7.372 -7.903 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.306 8.857 -8.645 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -8.156 8.625 -7.518 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -7.735 9.029 -9.200 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.826 7.664 -8.859 1.00 0.00 H new ATOM 2024 N GLN B 60 -5.460 4.506 -10.099 1.00 0.00 N ATOM 2025 CA GLN B 60 -4.324 3.537 -10.058 1.00 0.00 C ATOM 2026 C GLN B 60 -3.105 4.112 -10.780 1.00 0.00 C ATOM 2027 O GLN B 60 -1.986 3.987 -10.327 1.00 0.00 O ATOM 2028 CB GLN B 60 -4.836 2.286 -10.774 1.00 0.00 C ATOM 2029 CG GLN B 60 -4.138 1.048 -10.207 1.00 0.00 C ATOM 2030 CD GLN B 60 -4.885 0.566 -8.960 1.00 0.00 C ATOM 2031 OE1 GLN B 60 -6.085 0.715 -8.862 1.00 0.00 O ATOM 2032 NE2 GLN B 60 -4.220 -0.017 -8.000 1.00 0.00 N ATOM 0 H GLN B 60 -6.355 4.114 -10.393 1.00 0.00 H new ATOM 0 HA GLN B 60 -4.010 3.319 -9.037 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -5.915 2.198 -10.647 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -4.647 2.364 -11.845 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -4.112 0.257 -10.957 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -3.104 1.284 -9.956 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -3.211 -0.143 -8.082 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -4.709 -0.347 -7.168 1.00 0.00 H new ATOM 2041 N LYS B 61 -3.315 4.744 -11.897 1.00 0.00 N ATOM 2042 CA LYS B 61 -2.164 5.330 -12.644 1.00 0.00 C ATOM 2043 C LYS B 61 -1.426 6.332 -11.759 1.00 0.00 C ATOM 2044 O LYS B 61 -0.263 6.163 -11.448 1.00 0.00 O ATOM 2045 CB LYS B 61 -2.787 6.030 -13.853 1.00 0.00 C ATOM 2046 CG LYS B 61 -1.682 6.646 -14.714 1.00 0.00 C ATOM 2047 CD LYS B 61 -0.587 5.605 -14.961 1.00 0.00 C ATOM 2048 CE LYS B 61 0.466 6.187 -15.908 1.00 0.00 C ATOM 2049 NZ LYS B 61 1.529 6.727 -15.015 1.00 0.00 N ATOM 0 H LYS B 61 -4.230 4.882 -12.327 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.437 4.576 -12.947 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -3.365 5.317 -14.441 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -3.478 6.805 -13.521 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -2.094 6.988 -15.663 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -1.262 7.520 -14.215 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -0.124 5.318 -14.017 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -1.019 4.702 -15.392 1.00 0.00 H new ATOM 0 HE2 LYS B 61 0.862 5.422 -16.576 1.00 0.00 H new ATOM 0 HE3 LYS B 61 0.042 6.970 -16.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 2.288 7.144 -15.591 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 1.124 7.457 -14.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 1.918 5.957 -14.434 1.00 0.00 H new ATOM 2063 N ILE B 62 -2.094 7.367 -11.342 1.00 0.00 N ATOM 2064 CA ILE B 62 -1.430 8.374 -10.466 1.00 0.00 C ATOM 2065 C ILE B 62 -0.793 7.672 -9.266 1.00 0.00 C ATOM 2066 O ILE B 62 0.142 8.167 -8.670 1.00 0.00 O ATOM 2067 CB ILE B 62 -2.550 9.315 -10.017 1.00 0.00 C ATOM 2068 CG1 ILE B 62 -3.103 10.066 -11.229 1.00 0.00 C ATOM 2069 CG2 ILE B 62 -1.999 10.322 -9.009 1.00 0.00 C ATOM 2070 CD1 ILE B 62 -4.088 11.137 -10.759 1.00 0.00 C ATOM 0 H ILE B 62 -3.069 7.562 -11.568 1.00 0.00 H new ATOM 0 HA ILE B 62 -0.635 8.917 -10.978 1.00 0.00 H new ATOM 0 HB ILE B 62 -3.346 8.732 -9.553 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -2.288 10.526 -11.788 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.600 9.371 -11.905 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -2.798 10.992 -8.690 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -1.603 9.791 -8.143 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.202 10.903 -9.474 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -4.482 11.673 -11.622 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -4.909 10.665 -10.219 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -3.576 11.838 -10.100 1.00 0.00 H new ATOM 2082 N ILE B 63 -1.279 6.510 -8.918 1.00 0.00 N ATOM 2083 CA ILE B 63 -0.683 5.772 -7.775 1.00 0.00 C ATOM 2084 C ILE B 63 0.694 5.275 -8.185 1.00 0.00 C ATOM 2085 O ILE B 63 1.693 5.591 -7.571 1.00 0.00 O ATOM 2086 CB ILE B 63 -1.644 4.608 -7.519 1.00 0.00 C ATOM 2087 CG1 ILE B 63 -2.419 4.874 -6.232 1.00 0.00 C ATOM 2088 CG2 ILE B 63 -0.864 3.302 -7.390 1.00 0.00 C ATOM 2089 CD1 ILE B 63 -2.999 6.285 -6.291 1.00 0.00 C ATOM 0 H ILE B 63 -2.061 6.044 -9.377 1.00 0.00 H new ATOM 0 HA ILE B 63 -0.556 6.379 -6.879 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.337 4.521 -8.356 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.218 4.142 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.763 4.771 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.557 2.481 -7.208 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.313 3.115 -8.312 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.164 3.377 -6.558 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.556 6.488 -5.376 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.189 7.007 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.667 6.368 -7.148 1.00 0.00 H new ATOM 2101 N GLN B 64 0.758 4.523 -9.240 1.00 0.00 N ATOM 2102 CA GLN B 64 2.082 4.038 -9.707 1.00 0.00 C ATOM 2103 C GLN B 64 3.024 5.236 -9.747 1.00 0.00 C ATOM 2104 O GLN B 64 4.211 5.123 -9.520 1.00 0.00 O ATOM 2105 CB GLN B 64 1.842 3.480 -11.110 1.00 0.00 C ATOM 2106 CG GLN B 64 1.937 1.953 -11.074 1.00 0.00 C ATOM 2107 CD GLN B 64 2.213 1.426 -12.484 1.00 0.00 C ATOM 2108 OE1 GLN B 64 1.299 1.230 -13.261 1.00 0.00 O ATOM 2109 NE2 GLN B 64 3.442 1.187 -12.849 1.00 0.00 N ATOM 0 H GLN B 64 -0.042 4.223 -9.798 1.00 0.00 H new ATOM 0 HA GLN B 64 2.521 3.275 -9.064 1.00 0.00 H new ATOM 0 HB2 GLN B 64 0.860 3.786 -11.472 1.00 0.00 H new ATOM 0 HB3 GLN B 64 2.578 3.885 -11.805 1.00 0.00 H new ATOM 0 HG2 GLN B 64 2.732 1.643 -10.396 1.00 0.00 H new ATOM 0 HG3 GLN B 64 1.009 1.529 -10.691 1.00 0.00 H new ATOM 0 HE21 GLN B 64 4.209 1.352 -12.197 1.00 0.00 H new ATOM 0 HE22 GLN B 64 3.636 0.836 -13.787 1.00 0.00 H new ATOM 2118 N LYS B 65 2.482 6.396 -10.007 1.00 0.00 N ATOM 2119 CA LYS B 65 3.319 7.624 -10.034 1.00 0.00 C ATOM 2120 C LYS B 65 3.766 7.942 -8.609 1.00 0.00 C ATOM 2121 O LYS B 65 4.869 8.394 -8.374 1.00 0.00 O ATOM 2122 CB LYS B 65 2.402 8.722 -10.574 1.00 0.00 C ATOM 2123 CG LYS B 65 3.229 9.729 -11.375 1.00 0.00 C ATOM 2124 CD LYS B 65 2.638 11.129 -11.200 1.00 0.00 C ATOM 2125 CE LYS B 65 3.470 11.911 -10.181 1.00 0.00 C ATOM 2126 NZ LYS B 65 4.260 12.878 -10.992 1.00 0.00 N ATOM 0 H LYS B 65 1.492 6.543 -10.202 1.00 0.00 H new ATOM 0 HA LYS B 65 4.213 7.521 -10.649 1.00 0.00 H new ATOM 0 HB2 LYS B 65 1.628 8.286 -11.206 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.895 9.225 -9.750 1.00 0.00 H new ATOM 0 HG2 LYS B 65 4.265 9.715 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS B 65 3.234 9.454 -12.430 1.00 0.00 H new ATOM 0 HD2 LYS B 65 2.628 11.653 -12.156 1.00 0.00 H new ATOM 0 HD3 LYS B 65 1.604 11.059 -10.864 1.00 0.00 H new ATOM 0 HE2 LYS B 65 2.832 12.426 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS B 65 4.121 11.248 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 4.857 13.452 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 4.862 12.359 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 3.613 13.500 -11.518 1.00 0.00 H new ATOM 2140 N ILE B 66 2.912 7.691 -7.653 1.00 0.00 N ATOM 2141 CA ILE B 66 3.278 7.953 -6.235 1.00 0.00 C ATOM 2142 C ILE B 66 4.232 6.860 -5.752 1.00 0.00 C ATOM 2143 O ILE B 66 5.120 7.093 -4.957 1.00 0.00 O ATOM 2144 CB ILE B 66 1.952 7.921 -5.466 1.00 0.00 C ATOM 2145 CG1 ILE B 66 1.960 9.019 -4.400 1.00 0.00 C ATOM 2146 CG2 ILE B 66 1.763 6.559 -4.792 1.00 0.00 C ATOM 2147 CD1 ILE B 66 3.011 8.693 -3.338 1.00 0.00 C ATOM 0 H ILE B 66 1.975 7.315 -7.796 1.00 0.00 H new ATOM 0 HA ILE B 66 3.787 8.906 -6.093 1.00 0.00 H new ATOM 0 HB ILE B 66 1.131 8.087 -6.164 1.00 0.00 H new ATOM 0 HG12 ILE B 66 2.178 9.984 -4.858 1.00 0.00 H new ATOM 0 HG13 ILE B 66 0.975 9.100 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE B 66 0.818 6.550 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE B 66 1.754 5.776 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE B 66 2.583 6.381 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE B 66 3.016 9.475 -2.579 1.00 0.00 H new ATOM 0 HD12 ILE B 66 2.773 7.737 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE B 66 3.994 8.634 -3.805 1.00 0.00 H new ATOM 2159 N LEU B 67 4.055 5.667 -6.250 1.00 0.00 N ATOM 2160 CA LEU B 67 4.945 4.543 -5.856 1.00 0.00 C ATOM 2161 C LEU B 67 6.273 4.660 -6.601 1.00 0.00 C ATOM 2162 O LEU B 67 7.328 4.365 -6.072 1.00 0.00 O ATOM 2163 CB LEU B 67 4.194 3.284 -6.290 1.00 0.00 C ATOM 2164 CG LEU B 67 3.308 2.798 -5.143 1.00 0.00 C ATOM 2165 CD1 LEU B 67 1.905 3.384 -5.303 1.00 0.00 C ATOM 2166 CD2 LEU B 67 3.230 1.270 -5.173 1.00 0.00 C ATOM 0 H LEU B 67 3.325 5.423 -6.919 1.00 0.00 H new ATOM 0 HA LEU B 67 5.171 4.534 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU B 67 3.585 3.496 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.902 2.505 -6.572 1.00 0.00 H new ATOM 0 HG LEU B 67 3.731 3.121 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.271 3.039 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.961 4.472 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.481 3.059 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.599 0.922 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.805 0.946 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU B 67 4.231 0.852 -5.062 1.00 0.00 H new ATOM 2178 N ASN B 68 6.224 5.094 -7.828 1.00 0.00 N ATOM 2179 CA ASN B 68 7.470 5.241 -8.623 1.00 0.00 C ATOM 2180 C ASN B 68 8.053 6.644 -8.433 1.00 0.00 C ATOM 2181 O ASN B 68 9.061 6.992 -9.016 1.00 0.00 O ATOM 2182 CB ASN B 68 7.034 5.032 -10.070 1.00 0.00 C ATOM 2183 CG ASN B 68 8.032 4.117 -10.780 1.00 0.00 C ATOM 2184 OD1 ASN B 68 9.083 4.555 -11.202 1.00 0.00 O ATOM 2185 ND2 ASN B 68 7.744 2.853 -10.932 1.00 0.00 N ATOM 0 H ASN B 68 5.367 5.355 -8.316 1.00 0.00 H new ATOM 0 HA ASN B 68 8.243 4.534 -8.323 1.00 0.00 H new ATOM 0 HB2 ASN B 68 6.037 4.592 -10.100 1.00 0.00 H new ATOM 0 HB3 ASN B 68 6.975 5.991 -10.585 1.00 0.00 H new ATOM 0 HD21 ASN B 68 8.402 2.233 -11.405 1.00 0.00 H new ATOM 0 HD22 ASN B 68 6.861 2.485 -10.578 1.00 0.00 H new ATOM 2192 N LYS B 69 7.424 7.454 -7.622 1.00 0.00 N ATOM 2193 CA LYS B 69 7.940 8.835 -7.397 1.00 0.00 C ATOM 2194 C LYS B 69 9.094 8.817 -6.400 1.00 0.00 C ATOM 2195 O LYS B 69 9.535 9.840 -5.916 1.00 0.00 O ATOM 2196 CB LYS B 69 6.754 9.625 -6.844 1.00 0.00 C ATOM 2197 CG LYS B 69 6.269 10.627 -7.896 1.00 0.00 C ATOM 2198 CD LYS B 69 6.753 12.030 -7.525 1.00 0.00 C ATOM 2199 CE LYS B 69 5.895 12.583 -6.384 1.00 0.00 C ATOM 2200 NZ LYS B 69 6.515 13.892 -6.036 1.00 0.00 N ATOM 0 H LYS B 69 6.576 7.218 -7.106 1.00 0.00 H new ATOM 0 HA LYS B 69 8.327 9.281 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS B 69 5.945 8.946 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS B 69 7.046 10.150 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS B 69 6.646 10.349 -8.880 1.00 0.00 H new ATOM 0 HG3 LYS B 69 5.181 10.610 -7.956 1.00 0.00 H new ATOM 0 HD2 LYS B 69 7.800 11.997 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS B 69 6.692 12.688 -8.392 1.00 0.00 H new ATOM 0 HE2 LYS B 69 4.858 12.708 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS B 69 5.893 11.907 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 5.982 14.333 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 7.500 13.741 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 6.497 14.517 -6.867 1.00 0.00 H new