USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 504 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: A 85 SER OG : rot 180:sc= -0.0114 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 87:sc= 0.62 USER MOD Single : A 30 MET CE :methyl 160:sc= 0 (180deg=-0.756) USER MOD Single : A 33 GLN : amide:sc= -0.029 K(o=-0.029,f=-0.61) USER MOD Single : A 35 GLN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 92:sc= 1.13 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.23 K(o=-3.2,f=-6.6!) USER MOD Single : A 87 MET CE :methyl -174:sc= -4.6! (180deg=-4.84!) USER MOD Single : A 88 THR OG1 : rot -95:sc= 1.06 USER MOD Single : A 92 GLN : amide:sc= -1.67! C(o=-1.7!,f=-3.7!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 16 -0.050 21.808 -8.459 1.00 0.00 N ATOM 211 CA PRO A 16 -0.564 20.778 -9.395 1.00 0.00 C ATOM 212 C PRO A 16 -1.599 21.378 -10.341 1.00 0.00 C ATOM 213 O PRO A 16 -2.793 21.225 -10.163 1.00 0.00 O ATOM 214 CB PRO A 16 -1.166 19.717 -8.472 1.00 0.00 C ATOM 215 CG PRO A 16 -1.460 20.450 -7.207 1.00 0.00 C ATOM 216 CD PRO A 16 -0.358 21.463 -7.061 1.00 0.00 C ATOM 0 HA PRO A 16 0.205 20.361 -10.045 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.070 19.285 -8.900 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.469 18.896 -8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.435 20.935 -7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.482 19.770 -6.356 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.681 22.334 -6.491 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.508 21.048 -6.546 1.00 0.00 H new ATOM 224 N SER A 17 -1.130 22.084 -11.337 1.00 0.00 N ATOM 225 CA SER A 17 -2.051 22.732 -12.321 1.00 0.00 C ATOM 226 C SER A 17 -2.781 23.865 -11.624 1.00 0.00 C ATOM 227 O SER A 17 -3.985 24.005 -11.719 1.00 0.00 O ATOM 228 CB SER A 17 -3.029 21.644 -12.775 1.00 0.00 C ATOM 229 OG SER A 17 -3.323 21.823 -14.154 1.00 0.00 O ATOM 0 H SER A 17 -0.138 22.241 -11.513 1.00 0.00 H new ATOM 0 HA SER A 17 -1.524 23.147 -13.180 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.596 20.657 -12.609 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.945 21.694 -12.187 1.00 0.00 H new ATOM 0 HG SER A 17 -3.947 21.127 -14.448 1.00 0.00 H new ATOM 235 N ALA A 18 -2.041 24.671 -10.917 1.00 0.00 N ATOM 236 CA ALA A 18 -2.644 25.818 -10.178 1.00 0.00 C ATOM 237 C ALA A 18 -3.938 25.391 -9.473 1.00 0.00 C ATOM 238 O ALA A 18 -4.841 26.183 -9.282 1.00 0.00 O ATOM 239 CB ALA A 18 -2.926 26.859 -11.255 1.00 0.00 C ATOM 0 H ALA A 18 -1.030 24.584 -10.817 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.987 26.201 -9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.373 27.742 -10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.993 27.137 -11.746 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.614 26.443 -11.992 1.00 0.00 H new ATOM 245 N ASP A 19 -4.034 24.143 -9.085 1.00 0.00 N ATOM 246 CA ASP A 19 -5.268 23.670 -8.394 1.00 0.00 C ATOM 247 C ASP A 19 -5.017 22.320 -7.720 1.00 0.00 C ATOM 248 O ASP A 19 -4.720 21.343 -8.378 1.00 0.00 O ATOM 249 CB ASP A 19 -6.317 23.535 -9.499 1.00 0.00 C ATOM 250 CG ASP A 19 -7.248 24.748 -9.473 1.00 0.00 C ATOM 251 OD1 ASP A 19 -7.783 25.038 -8.416 1.00 0.00 O ATOM 252 OD2 ASP A 19 -7.412 25.366 -10.512 1.00 0.00 O ATOM 0 H ASP A 19 -3.312 23.435 -9.218 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.589 24.357 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.829 23.459 -10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.892 22.620 -9.359 1.00 0.00 H new ATOM 257 N PRO A 20 -5.145 22.314 -6.419 1.00 0.00 N ATOM 258 CA PRO A 20 -4.928 21.073 -5.643 1.00 0.00 C ATOM 259 C PRO A 20 -6.120 20.126 -5.811 1.00 0.00 C ATOM 260 O PRO A 20 -5.964 18.923 -5.873 1.00 0.00 O ATOM 261 CB PRO A 20 -4.827 21.569 -4.207 1.00 0.00 C ATOM 262 CG PRO A 20 -5.586 22.854 -4.179 1.00 0.00 C ATOM 263 CD PRO A 20 -5.498 23.450 -5.556 1.00 0.00 C ATOM 0 HA PRO A 20 -4.048 20.513 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.252 20.846 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.788 21.720 -3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.625 22.681 -3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.166 23.534 -3.438 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.444 23.899 -5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.743 24.235 -5.603 1.00 0.00 H new ATOM 271 N GLU A 21 -7.309 20.665 -5.888 1.00 0.00 N ATOM 272 CA GLU A 21 -8.514 19.800 -6.056 1.00 0.00 C ATOM 273 C GLU A 21 -8.398 18.980 -7.343 1.00 0.00 C ATOM 274 O GLU A 21 -8.755 17.819 -7.385 1.00 0.00 O ATOM 275 CB GLU A 21 -9.693 20.769 -6.141 1.00 0.00 C ATOM 276 CG GLU A 21 -11.005 19.987 -6.062 1.00 0.00 C ATOM 277 CD GLU A 21 -12.158 20.951 -5.777 1.00 0.00 C ATOM 278 OE1 GLU A 21 -11.977 21.833 -4.955 1.00 0.00 O ATOM 279 OE2 GLU A 21 -13.203 20.790 -6.386 1.00 0.00 O ATOM 0 H GLU A 21 -7.497 21.666 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.631 19.091 -5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.640 21.494 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.648 21.331 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.182 19.458 -6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.945 19.233 -5.277 1.00 0.00 H new ATOM 286 N LEU A 22 -7.898 19.576 -8.392 1.00 0.00 N ATOM 287 CA LEU A 22 -7.753 18.832 -9.678 1.00 0.00 C ATOM 288 C LEU A 22 -6.657 17.772 -9.545 1.00 0.00 C ATOM 289 O LEU A 22 -6.729 16.713 -10.139 1.00 0.00 O ATOM 290 CB LEU A 22 -7.359 19.889 -10.714 1.00 0.00 C ATOM 291 CG LEU A 22 -8.404 19.927 -11.831 1.00 0.00 C ATOM 292 CD1 LEU A 22 -9.646 20.676 -11.343 1.00 0.00 C ATOM 293 CD2 LEU A 22 -7.821 20.649 -13.049 1.00 0.00 C ATOM 0 H LEU A 22 -7.583 20.546 -8.415 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.669 18.314 -9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.283 20.867 -10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.377 19.659 -11.128 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.678 18.909 -12.107 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.391 20.703 -12.139 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.061 20.165 -10.475 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.372 21.694 -11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.564 20.677 -13.846 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.548 21.667 -12.772 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.935 20.118 -13.398 1.00 0.00 H new ATOM 305 N ALA A 23 -5.644 18.049 -8.767 1.00 0.00 N ATOM 306 CA ALA A 23 -4.542 17.057 -8.592 1.00 0.00 C ATOM 307 C ALA A 23 -5.086 15.770 -7.967 1.00 0.00 C ATOM 308 O ALA A 23 -4.814 14.680 -8.432 1.00 0.00 O ATOM 309 CB ALA A 23 -3.545 17.732 -7.649 1.00 0.00 C ATOM 0 H ALA A 23 -5.532 18.918 -8.245 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.081 16.780 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.703 17.063 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.185 18.656 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.036 17.958 -6.702 1.00 0.00 H new ATOM 315 N LEU A 24 -5.852 15.889 -6.916 1.00 0.00 N ATOM 316 CA LEU A 24 -6.417 14.673 -6.259 1.00 0.00 C ATOM 317 C LEU A 24 -7.436 14.001 -7.182 1.00 0.00 C ATOM 318 O LEU A 24 -7.639 12.803 -7.130 1.00 0.00 O ATOM 319 CB LEU A 24 -7.100 15.186 -4.987 1.00 0.00 C ATOM 320 CG LEU A 24 -6.131 15.105 -3.802 1.00 0.00 C ATOM 321 CD1 LEU A 24 -5.731 13.647 -3.560 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.880 15.935 -4.103 1.00 0.00 C ATOM 0 H LEU A 24 -6.111 16.775 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.650 13.931 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.427 16.216 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.992 14.594 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.621 15.497 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.042 13.594 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.621 13.057 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.245 13.250 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.193 15.876 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.392 15.546 -4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.164 16.974 -4.268 1.00 0.00 H new ATOM 334 N ALA A 25 -8.079 14.763 -8.026 1.00 0.00 N ATOM 335 CA ALA A 25 -9.087 14.170 -8.955 1.00 0.00 C ATOM 336 C ALA A 25 -8.422 13.135 -9.865 1.00 0.00 C ATOM 337 O ALA A 25 -8.914 12.037 -10.035 1.00 0.00 O ATOM 338 CB ALA A 25 -9.615 15.347 -9.776 1.00 0.00 C ATOM 0 H ALA A 25 -7.950 15.771 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.887 13.657 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.363 14.990 -10.484 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.067 16.082 -9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.792 15.809 -10.320 1.00 0.00 H new ATOM 344 N LEU A 26 -7.306 13.477 -10.452 1.00 0.00 N ATOM 345 CA LEU A 26 -6.607 12.513 -11.352 1.00 0.00 C ATOM 346 C LEU A 26 -5.961 11.393 -10.531 1.00 0.00 C ATOM 347 O LEU A 26 -5.690 10.321 -11.036 1.00 0.00 O ATOM 348 CB LEU A 26 -5.539 13.336 -12.072 1.00 0.00 C ATOM 349 CG LEU A 26 -5.457 12.903 -13.538 1.00 0.00 C ATOM 350 CD1 LEU A 26 -4.409 13.747 -14.263 1.00 0.00 C ATOM 351 CD2 LEU A 26 -5.062 11.425 -13.614 1.00 0.00 C ATOM 0 H LEU A 26 -6.848 14.382 -10.347 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.292 12.037 -12.054 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.780 14.397 -12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.572 13.199 -11.587 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.429 13.045 -14.011 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.351 13.438 -15.307 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.690 14.799 -14.211 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.438 13.607 -13.789 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.004 11.117 -14.658 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.091 11.283 -13.139 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.810 10.822 -13.099 1.00 0.00 H new ATOM 363 N ARG A 27 -5.718 11.629 -9.269 1.00 0.00 N ATOM 364 CA ARG A 27 -5.098 10.575 -8.418 1.00 0.00 C ATOM 365 C ARG A 27 -6.174 9.591 -7.970 1.00 0.00 C ATOM 366 O ARG A 27 -5.915 8.421 -7.759 1.00 0.00 O ATOM 367 CB ARG A 27 -4.512 11.323 -7.217 1.00 0.00 C ATOM 368 CG ARG A 27 -3.019 11.007 -7.093 1.00 0.00 C ATOM 369 CD ARG A 27 -2.575 11.205 -5.643 1.00 0.00 C ATOM 370 NE ARG A 27 -1.613 10.097 -5.382 1.00 0.00 N ATOM 371 CZ ARG A 27 -0.596 10.290 -4.587 1.00 0.00 C ATOM 372 NH1 ARG A 27 0.169 11.335 -4.747 1.00 0.00 N ATOM 373 NH2 ARG A 27 -0.343 9.437 -3.632 1.00 0.00 N ATOM 0 H ARG A 27 -5.923 12.507 -8.792 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.332 10.004 -8.943 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.658 12.396 -7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.033 11.031 -6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.826 9.981 -7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.443 11.656 -7.753 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.104 12.178 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.424 11.161 -4.960 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.749 9.188 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.028 12.002 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.964 11.485 -4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.940 8.620 -3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.452 9.588 -3.011 1.00 0.00 H new ATOM 387 N VAL A 28 -7.386 10.059 -7.831 1.00 0.00 N ATOM 388 CA VAL A 28 -8.489 9.157 -7.405 1.00 0.00 C ATOM 389 C VAL A 28 -9.013 8.371 -8.611 1.00 0.00 C ATOM 390 O VAL A 28 -9.525 7.278 -8.475 1.00 0.00 O ATOM 391 CB VAL A 28 -9.572 10.085 -6.850 1.00 0.00 C ATOM 392 CG1 VAL A 28 -10.768 9.252 -6.381 1.00 0.00 C ATOM 393 CG2 VAL A 28 -9.010 10.882 -5.668 1.00 0.00 C ATOM 0 H VAL A 28 -7.657 11.028 -7.995 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.167 8.426 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.893 10.774 -7.631 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.539 9.913 -5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.170 8.687 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.447 8.562 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.783 11.542 -5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.687 10.194 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.160 11.477 -6.002 1.00 0.00 H new ATOM 403 N SER A 29 -8.883 8.923 -9.788 1.00 0.00 N ATOM 404 CA SER A 29 -9.368 8.213 -11.007 1.00 0.00 C ATOM 405 C SER A 29 -8.388 7.103 -11.394 1.00 0.00 C ATOM 406 O SER A 29 -8.781 6.042 -11.840 1.00 0.00 O ATOM 407 CB SER A 29 -9.423 9.284 -12.096 1.00 0.00 C ATOM 408 OG SER A 29 -10.431 10.232 -11.771 1.00 0.00 O ATOM 0 H SER A 29 -8.461 9.836 -9.958 1.00 0.00 H new ATOM 0 HA SER A 29 -10.339 7.742 -10.852 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.456 9.780 -12.184 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.636 8.826 -13.062 1.00 0.00 H new ATOM 0 HG SER A 29 -10.053 10.925 -11.189 1.00 0.00 H new ATOM 414 N MET A 30 -7.114 7.340 -11.225 1.00 0.00 N ATOM 415 CA MET A 30 -6.107 6.299 -11.581 1.00 0.00 C ATOM 416 C MET A 30 -6.081 5.201 -10.514 1.00 0.00 C ATOM 417 O MET A 30 -5.761 4.062 -10.791 1.00 0.00 O ATOM 418 CB MET A 30 -4.768 7.038 -11.624 1.00 0.00 C ATOM 419 CG MET A 30 -3.689 6.110 -12.189 1.00 0.00 C ATOM 420 SD MET A 30 -2.554 7.061 -13.231 1.00 0.00 S ATOM 421 CE MET A 30 -2.064 8.278 -11.984 1.00 0.00 C ATOM 0 H MET A 30 -6.728 8.209 -10.856 1.00 0.00 H new ATOM 0 HA MET A 30 -6.334 5.814 -12.530 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.854 7.932 -12.242 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.491 7.368 -10.623 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.141 5.636 -11.375 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.150 5.312 -12.771 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.123 8.743 -12.279 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.836 9.043 -11.899 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.937 7.782 -11.022 1.00 0.00 H new ATOM 431 N GLU A 31 -6.417 5.536 -9.296 1.00 0.00 N ATOM 432 CA GLU A 31 -6.414 4.511 -8.211 1.00 0.00 C ATOM 433 C GLU A 31 -7.667 3.635 -8.312 1.00 0.00 C ATOM 434 O GLU A 31 -7.637 2.457 -8.015 1.00 0.00 O ATOM 435 CB GLU A 31 -6.420 5.310 -6.903 1.00 0.00 C ATOM 436 CG GLU A 31 -5.133 5.029 -6.119 1.00 0.00 C ATOM 437 CD GLU A 31 -5.451 4.144 -4.911 1.00 0.00 C ATOM 438 OE1 GLU A 31 -6.200 4.589 -4.057 1.00 0.00 O ATOM 439 OE2 GLU A 31 -4.939 3.038 -4.861 1.00 0.00 O ATOM 0 H GLU A 31 -6.693 6.474 -9.006 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.553 3.846 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.501 6.376 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.289 5.038 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.404 4.536 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.685 5.966 -5.788 1.00 0.00 H new ATOM 446 N GLU A 32 -8.767 4.203 -8.731 1.00 0.00 N ATOM 447 CA GLU A 32 -10.022 3.405 -8.853 1.00 0.00 C ATOM 448 C GLU A 32 -9.911 2.425 -10.025 1.00 0.00 C ATOM 449 O GLU A 32 -10.290 1.276 -9.921 1.00 0.00 O ATOM 450 CB GLU A 32 -11.125 4.432 -9.114 1.00 0.00 C ATOM 451 CG GLU A 32 -11.663 4.955 -7.778 1.00 0.00 C ATOM 452 CD GLU A 32 -13.185 5.087 -7.856 1.00 0.00 C ATOM 453 OE1 GLU A 32 -13.665 5.635 -8.836 1.00 0.00 O ATOM 454 OE2 GLU A 32 -13.847 4.636 -6.934 1.00 0.00 O ATOM 0 H GLU A 32 -8.850 5.185 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.223 2.813 -7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.734 5.258 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.931 3.977 -9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.387 4.275 -6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.215 5.921 -7.547 1.00 0.00 H new ATOM 461 N GLN A 33 -9.392 2.875 -11.136 1.00 0.00 N ATOM 462 CA GLN A 33 -9.253 1.968 -12.316 1.00 0.00 C ATOM 463 C GLN A 33 -8.217 0.881 -12.023 1.00 0.00 C ATOM 464 O GLN A 33 -8.282 -0.211 -12.555 1.00 0.00 O ATOM 465 CB GLN A 33 -8.780 2.868 -13.462 1.00 0.00 C ATOM 466 CG GLN A 33 -9.884 2.979 -14.517 1.00 0.00 C ATOM 467 CD GLN A 33 -9.253 3.074 -15.908 1.00 0.00 C ATOM 468 OE1 GLN A 33 -8.156 3.573 -16.057 1.00 0.00 O ATOM 469 NE2 GLN A 33 -9.906 2.615 -16.940 1.00 0.00 N ATOM 0 H GLN A 33 -9.059 3.828 -11.279 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.187 1.462 -12.560 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.527 3.857 -13.080 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.875 2.458 -13.910 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.542 2.112 -14.463 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.499 3.858 -14.324 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.827 2.196 -16.815 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.495 2.675 -17.872 1.00 0.00 H new ATOM 478 N ARG A 34 -7.261 1.170 -11.181 1.00 0.00 N ATOM 479 CA ARG A 34 -6.220 0.153 -10.850 1.00 0.00 C ATOM 480 C ARG A 34 -6.781 -0.877 -9.867 1.00 0.00 C ATOM 481 O ARG A 34 -6.638 -2.069 -10.055 1.00 0.00 O ATOM 482 CB ARG A 34 -5.083 0.944 -10.203 1.00 0.00 C ATOM 483 CG ARG A 34 -3.751 0.229 -10.450 1.00 0.00 C ATOM 484 CD ARG A 34 -2.877 1.074 -11.380 1.00 0.00 C ATOM 485 NE ARG A 34 -1.741 0.186 -11.754 1.00 0.00 N ATOM 486 CZ ARG A 34 -1.538 -0.121 -13.006 1.00 0.00 C ATOM 487 NH1 ARG A 34 -2.423 -0.825 -13.658 1.00 0.00 N ATOM 488 NH2 ARG A 34 -0.450 0.277 -13.606 1.00 0.00 N ATOM 0 H ARG A 34 -7.156 2.067 -10.707 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.886 -0.396 -11.731 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.048 1.952 -10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.260 1.044 -9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.236 0.061 -9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.930 -0.751 -10.893 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.433 1.395 -12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.525 1.976 -10.879 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.122 -0.182 -11.032 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.274 -1.135 -13.189 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.264 -1.065 -14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.241 0.828 -13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.290 0.037 -14.585 1.00 0.00 H new ATOM 502 N GLN A 35 -7.419 -0.425 -8.821 1.00 0.00 N ATOM 503 CA GLN A 35 -7.991 -1.378 -7.823 1.00 0.00 C ATOM 504 C GLN A 35 -9.011 -2.299 -8.499 1.00 0.00 C ATOM 505 O GLN A 35 -9.011 -3.497 -8.293 1.00 0.00 O ATOM 506 CB GLN A 35 -8.673 -0.497 -6.775 1.00 0.00 C ATOM 507 CG GLN A 35 -7.610 0.178 -5.907 1.00 0.00 C ATOM 508 CD GLN A 35 -8.284 0.878 -4.725 1.00 0.00 C ATOM 509 OE1 GLN A 35 -7.876 0.712 -3.593 1.00 0.00 O ATOM 510 NE2 GLN A 35 -9.306 1.659 -4.942 1.00 0.00 N ATOM 0 H GLN A 35 -7.569 0.562 -8.613 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.229 -2.019 -7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.291 0.256 -7.264 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.336 -1.099 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.896 -0.563 -5.546 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.048 0.900 -6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.649 1.798 -5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.763 2.130 -4.161 1.00 0.00 H new ATOM 519 N ARG A 36 -9.878 -1.748 -9.306 1.00 0.00 N ATOM 520 CA ARG A 36 -10.896 -2.591 -9.998 1.00 0.00 C ATOM 521 C ARG A 36 -10.206 -3.558 -10.964 1.00 0.00 C ATOM 522 O ARG A 36 -10.505 -4.736 -10.997 1.00 0.00 O ATOM 523 CB ARG A 36 -11.777 -1.603 -10.764 1.00 0.00 C ATOM 524 CG ARG A 36 -12.785 -0.965 -9.804 1.00 0.00 C ATOM 525 CD ARG A 36 -14.144 -1.651 -9.957 1.00 0.00 C ATOM 526 NE ARG A 36 -14.942 -1.189 -8.787 1.00 0.00 N ATOM 527 CZ ARG A 36 -15.347 -2.049 -7.893 1.00 0.00 C ATOM 528 NH1 ARG A 36 -14.518 -2.938 -7.420 1.00 0.00 N ATOM 529 NH2 ARG A 36 -16.582 -2.018 -7.472 1.00 0.00 N ATOM 0 H ARG A 36 -9.925 -0.751 -9.516 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.477 -3.195 -9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.160 -0.832 -11.225 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.301 -2.116 -11.570 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.433 -1.058 -8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.878 0.101 -10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.623 -1.373 -10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.040 -2.736 -9.961 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.172 -0.201 -8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.553 -2.961 -7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.835 -3.610 -6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.230 -1.322 -7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.900 -2.690 -6.773 1.00 0.00 H new ATOM 543 N GLN A 37 -9.281 -3.069 -11.745 1.00 0.00 N ATOM 544 CA GLN A 37 -8.565 -3.958 -12.706 1.00 0.00 C ATOM 545 C GLN A 37 -7.592 -4.873 -11.955 1.00 0.00 C ATOM 546 O GLN A 37 -7.214 -5.919 -12.440 1.00 0.00 O ATOM 547 CB GLN A 37 -7.802 -3.010 -13.635 1.00 0.00 C ATOM 548 CG GLN A 37 -8.768 -2.411 -14.664 1.00 0.00 C ATOM 549 CD GLN A 37 -8.410 -2.921 -16.062 1.00 0.00 C ATOM 550 OE1 GLN A 37 -8.601 -4.082 -16.365 1.00 0.00 O ATOM 551 NE2 GLN A 37 -7.894 -2.096 -16.932 1.00 0.00 N ATOM 0 H GLN A 37 -8.990 -2.092 -11.759 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.248 -4.604 -13.257 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.334 -2.215 -13.055 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.002 -3.548 -14.143 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.794 -2.685 -14.417 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.714 -1.323 -14.638 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.734 -1.121 -16.678 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.651 -2.426 -17.866 1.00 0.00 H new ATOM 560 N GLU A 38 -7.194 -4.486 -10.772 1.00 0.00 N ATOM 561 CA GLU A 38 -6.253 -5.330 -9.979 1.00 0.00 C ATOM 562 C GLU A 38 -7.037 -6.400 -9.224 1.00 0.00 C ATOM 563 O GLU A 38 -6.875 -7.579 -9.458 1.00 0.00 O ATOM 564 CB GLU A 38 -5.575 -4.367 -9.003 1.00 0.00 C ATOM 565 CG GLU A 38 -4.580 -5.138 -8.133 1.00 0.00 C ATOM 566 CD GLU A 38 -3.490 -4.187 -7.637 1.00 0.00 C ATOM 567 OE1 GLU A 38 -3.682 -3.595 -6.586 1.00 0.00 O ATOM 568 OE2 GLU A 38 -2.483 -4.065 -8.314 1.00 0.00 O ATOM 0 H GLU A 38 -7.481 -3.618 -10.319 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.524 -5.844 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.060 -3.579 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.323 -3.882 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.096 -5.590 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.134 -5.951 -8.706 1.00 0.00 H new ATOM 575 N GLU A 39 -7.899 -5.998 -8.324 1.00 0.00 N ATOM 576 CA GLU A 39 -8.704 -7.000 -7.565 1.00 0.00 C ATOM 577 C GLU A 39 -9.384 -7.954 -8.549 1.00 0.00 C ATOM 578 O GLU A 39 -9.594 -9.117 -8.265 1.00 0.00 O ATOM 579 CB GLU A 39 -9.743 -6.182 -6.797 1.00 0.00 C ATOM 580 CG GLU A 39 -9.034 -5.258 -5.804 1.00 0.00 C ATOM 581 CD GLU A 39 -9.757 -5.301 -4.456 1.00 0.00 C ATOM 582 OE1 GLU A 39 -9.919 -6.391 -3.928 1.00 0.00 O ATOM 583 OE2 GLU A 39 -10.137 -4.246 -3.975 1.00 0.00 O ATOM 0 H GLU A 39 -8.079 -5.023 -8.084 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.097 -7.605 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.344 -5.595 -7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.426 -6.847 -6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.996 -5.567 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.019 -4.238 -6.188 1.00 0.00 H new ATOM 590 N GLU A 40 -9.709 -7.464 -9.717 1.00 0.00 N ATOM 591 CA GLU A 40 -10.355 -8.332 -10.740 1.00 0.00 C ATOM 592 C GLU A 40 -9.283 -9.152 -11.461 1.00 0.00 C ATOM 593 O GLU A 40 -9.480 -10.312 -11.768 1.00 0.00 O ATOM 594 CB GLU A 40 -11.039 -7.366 -11.708 1.00 0.00 C ATOM 595 CG GLU A 40 -11.783 -8.162 -12.788 1.00 0.00 C ATOM 596 CD GLU A 40 -13.243 -7.710 -12.845 1.00 0.00 C ATOM 597 OE1 GLU A 40 -13.478 -6.515 -12.752 1.00 0.00 O ATOM 598 OE2 GLU A 40 -14.102 -8.565 -12.982 1.00 0.00 O ATOM 0 H GLU A 40 -9.554 -6.498 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.067 -9.035 -10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.737 -6.727 -11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.299 -6.712 -12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.307 -8.012 -13.757 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.730 -9.228 -12.569 1.00 0.00 H new ATOM 605 N ALA A 41 -8.145 -8.560 -11.728 1.00 0.00 N ATOM 606 CA ALA A 41 -7.061 -9.320 -12.422 1.00 0.00 C ATOM 607 C ALA A 41 -6.429 -10.325 -11.456 1.00 0.00 C ATOM 608 O ALA A 41 -6.391 -11.512 -11.714 1.00 0.00 O ATOM 609 CB ALA A 41 -6.036 -8.269 -12.845 1.00 0.00 C ATOM 0 H ALA A 41 -7.921 -7.592 -11.498 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.435 -9.884 -13.277 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.209 -8.755 -13.362 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.508 -7.548 -13.513 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.659 -7.753 -11.962 1.00 0.00 H new ATOM 615 N ARG A 42 -5.933 -9.852 -10.342 1.00 0.00 N ATOM 616 CA ARG A 42 -5.301 -10.768 -9.344 1.00 0.00 C ATOM 617 C ARG A 42 -6.249 -11.926 -9.011 1.00 0.00 C ATOM 618 O ARG A 42 -5.837 -13.063 -8.896 1.00 0.00 O ATOM 619 CB ARG A 42 -5.059 -9.905 -8.101 1.00 0.00 C ATOM 620 CG ARG A 42 -4.212 -8.682 -8.471 1.00 0.00 C ATOM 621 CD ARG A 42 -3.138 -8.449 -7.404 1.00 0.00 C ATOM 622 NE ARG A 42 -3.876 -8.385 -6.110 1.00 0.00 N ATOM 623 CZ ARG A 42 -3.310 -8.815 -5.016 1.00 0.00 C ATOM 624 NH1 ARG A 42 -2.143 -8.353 -4.659 1.00 0.00 N ATOM 625 NH2 ARG A 42 -3.911 -9.709 -4.278 1.00 0.00 N ATOM 0 H ARG A 42 -5.938 -8.867 -10.079 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.378 -11.208 -9.721 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.012 -9.584 -7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.552 -10.491 -7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.744 -8.834 -9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.848 -7.801 -8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.406 -9.257 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.592 -7.525 -7.591 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.822 -8.005 -6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.673 -7.655 -5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.701 -8.690 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.823 -10.071 -4.557 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.469 -10.045 -3.423 1.00 0.00 H new ATOM 639 N ARG A 43 -7.517 -11.641 -8.861 1.00 0.00 N ATOM 640 CA ARG A 43 -8.491 -12.726 -8.540 1.00 0.00 C ATOM 641 C ARG A 43 -8.498 -13.773 -9.658 1.00 0.00 C ATOM 642 O ARG A 43 -8.522 -14.962 -9.406 1.00 0.00 O ATOM 643 CB ARG A 43 -9.851 -12.029 -8.450 1.00 0.00 C ATOM 644 CG ARG A 43 -10.928 -13.051 -8.073 1.00 0.00 C ATOM 645 CD ARG A 43 -12.213 -12.750 -8.848 1.00 0.00 C ATOM 646 NE ARG A 43 -13.283 -13.479 -8.114 1.00 0.00 N ATOM 647 CZ ARG A 43 -13.892 -12.907 -7.110 1.00 0.00 C ATOM 648 NH1 ARG A 43 -14.535 -11.786 -7.289 1.00 0.00 N ATOM 649 NH2 ARG A 43 -13.857 -13.458 -5.927 1.00 0.00 N ATOM 0 H ARG A 43 -7.919 -10.707 -8.947 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.240 -13.246 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.814 -11.233 -7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.096 -11.563 -9.404 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.582 -14.060 -8.300 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.120 -13.013 -7.001 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.414 -11.679 -8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.140 -13.090 -9.881 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.541 -14.425 -8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.562 -11.356 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.010 -11.340 -6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.354 -14.334 -5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.332 -13.012 -5.142 1.00 0.00 H new ATOM 663 N ALA A 44 -8.473 -13.338 -10.889 1.00 0.00 N ATOM 664 CA ALA A 44 -8.473 -14.307 -12.025 1.00 0.00 C ATOM 665 C ALA A 44 -7.190 -15.142 -12.000 1.00 0.00 C ATOM 666 O ALA A 44 -7.182 -16.294 -12.388 1.00 0.00 O ATOM 667 CB ALA A 44 -8.526 -13.444 -13.286 1.00 0.00 C ATOM 0 H ALA A 44 -8.453 -12.354 -11.158 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.310 -15.003 -11.975 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.529 -14.086 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -9.433 -12.839 -13.275 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.654 -12.790 -13.317 1.00 0.00 H new ATOM 673 N ALA A 45 -6.108 -14.569 -11.545 1.00 0.00 N ATOM 674 CA ALA A 45 -4.824 -15.328 -11.490 1.00 0.00 C ATOM 675 C ALA A 45 -4.828 -16.284 -10.295 1.00 0.00 C ATOM 676 O ALA A 45 -4.313 -17.384 -10.365 1.00 0.00 O ATOM 677 CB ALA A 45 -3.740 -14.263 -11.323 1.00 0.00 C ATOM 0 H ALA A 45 -6.057 -13.607 -11.209 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.663 -15.934 -12.381 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.763 -14.743 -11.274 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.767 -13.580 -12.172 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.917 -13.705 -10.403 1.00 0.00 H new ATOM 683 N ALA A 46 -5.405 -15.872 -9.197 1.00 0.00 N ATOM 684 CA ALA A 46 -5.444 -16.756 -7.995 1.00 0.00 C ATOM 685 C ALA A 46 -6.284 -18.002 -8.284 1.00 0.00 C ATOM 686 O ALA A 46 -5.936 -19.101 -7.898 1.00 0.00 O ATOM 687 CB ALA A 46 -6.097 -15.911 -6.899 1.00 0.00 C ATOM 0 H ALA A 46 -5.851 -14.962 -9.081 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.452 -17.101 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.162 -16.494 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.497 -15.019 -6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.099 -15.618 -7.214 1.00 0.00 H new ATOM 693 N ALA A 47 -7.388 -17.839 -8.965 1.00 0.00 N ATOM 694 CA ALA A 47 -8.252 -19.013 -9.283 1.00 0.00 C ATOM 695 C ALA A 47 -7.583 -19.887 -10.348 1.00 0.00 C ATOM 696 O ALA A 47 -7.795 -21.082 -10.405 1.00 0.00 O ATOM 697 CB ALA A 47 -9.554 -18.417 -9.820 1.00 0.00 C ATOM 0 H ALA A 47 -7.728 -16.943 -9.315 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.424 -19.646 -8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.243 -19.221 -10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.005 -17.782 -9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.343 -17.822 -10.709 1.00 0.00 H new ATOM 703 N SER A 48 -6.775 -19.299 -11.189 1.00 0.00 N ATOM 704 CA SER A 48 -6.090 -20.095 -12.250 1.00 0.00 C ATOM 705 C SER A 48 -5.133 -21.107 -11.615 1.00 0.00 C ATOM 706 O SER A 48 -5.297 -22.302 -11.756 1.00 0.00 O ATOM 707 CB SER A 48 -5.315 -19.069 -13.078 1.00 0.00 C ATOM 708 OG SER A 48 -4.450 -19.751 -13.977 1.00 0.00 O ATOM 0 H SER A 48 -6.559 -18.302 -11.188 1.00 0.00 H new ATOM 0 HA SER A 48 -6.793 -20.662 -12.860 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.006 -18.434 -13.631 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.737 -18.417 -12.423 1.00 0.00 H new ATOM 0 HG SER A 48 -3.952 -19.097 -14.511 1.00 0.00 H new ATOM 714 N ALA A 49 -4.134 -20.634 -10.917 1.00 0.00 N ATOM 715 CA ALA A 49 -3.165 -21.568 -10.271 1.00 0.00 C ATOM 716 C ALA A 49 -3.883 -22.446 -9.243 1.00 0.00 C ATOM 717 O ALA A 49 -3.467 -23.553 -8.961 1.00 0.00 O ATOM 718 CB ALA A 49 -2.141 -20.665 -9.582 1.00 0.00 C ATOM 0 H ALA A 49 -3.947 -19.643 -10.766 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.697 -22.239 -10.991 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.392 -21.279 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.655 -20.033 -10.325 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.645 -20.038 -8.847 1.00 0.00 H new ATOM 724 N ALA A 50 -4.959 -21.961 -8.683 1.00 0.00 N ATOM 725 CA ALA A 50 -5.705 -22.767 -7.673 1.00 0.00 C ATOM 726 C ALA A 50 -6.503 -23.877 -8.363 1.00 0.00 C ATOM 727 O ALA A 50 -6.825 -24.885 -7.764 1.00 0.00 O ATOM 728 CB ALA A 50 -6.648 -21.774 -6.990 1.00 0.00 C ATOM 0 H ALA A 50 -5.354 -21.042 -8.881 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.038 -23.253 -6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.234 -22.292 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.064 -20.982 -6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.318 -21.340 -7.732 1.00 0.00 H new ATOM 734 N GLU A 51 -6.825 -23.700 -9.617 1.00 0.00 N ATOM 735 CA GLU A 51 -7.603 -24.745 -10.346 1.00 0.00 C ATOM 736 C GLU A 51 -6.709 -25.948 -10.661 1.00 0.00 C ATOM 737 O GLU A 51 -7.167 -27.071 -10.734 1.00 0.00 O ATOM 738 CB GLU A 51 -8.067 -24.070 -11.636 1.00 0.00 C ATOM 739 CG GLU A 51 -9.503 -23.571 -11.465 1.00 0.00 C ATOM 740 CD GLU A 51 -10.464 -24.761 -11.496 1.00 0.00 C ATOM 741 OE1 GLU A 51 -10.319 -25.591 -12.379 1.00 0.00 O ATOM 742 OE2 GLU A 51 -11.328 -24.821 -10.637 1.00 0.00 O ATOM 0 H GLU A 51 -6.583 -22.877 -10.168 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.442 -25.118 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.408 -23.237 -11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.012 -24.773 -12.467 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.603 -23.034 -10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.752 -22.868 -12.260 1.00 0.00 H new ATOM 749 N ALA A 52 -5.435 -25.721 -10.850 1.00 0.00 N ATOM 750 CA ALA A 52 -4.513 -26.850 -11.162 1.00 0.00 C ATOM 751 C ALA A 52 -3.232 -26.735 -10.330 1.00 0.00 C ATOM 752 O ALA A 52 -2.160 -27.097 -10.773 1.00 0.00 O ATOM 753 CB ALA A 52 -4.198 -26.705 -12.651 1.00 0.00 C ATOM 0 H ALA A 52 -4.995 -24.802 -10.801 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.956 -27.819 -10.931 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.522 -27.502 -12.959 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.122 -26.770 -13.226 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.726 -25.739 -12.831 1.00 0.00 H new ATOM 759 N GLY A 53 -3.338 -26.236 -9.128 1.00 0.00 N ATOM 760 CA GLY A 53 -2.129 -26.097 -8.266 1.00 0.00 C ATOM 761 C GLY A 53 -2.444 -26.606 -6.857 1.00 0.00 C ATOM 762 O GLY A 53 -1.707 -27.389 -6.291 1.00 0.00 O ATOM 0 H GLY A 53 -4.210 -25.918 -8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.300 -26.662 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.816 -25.054 -8.226 1.00 0.00 H new ATOM 882 N ASP A 63 -16.529 -28.803 13.665 1.00 0.00 N ATOM 883 CA ASP A 63 -15.432 -29.294 14.551 1.00 0.00 C ATOM 884 C ASP A 63 -15.799 -29.081 16.022 1.00 0.00 C ATOM 885 O ASP A 63 -15.640 -29.963 16.846 1.00 0.00 O ATOM 886 CB ASP A 63 -14.212 -28.452 14.176 1.00 0.00 C ATOM 887 CG ASP A 63 -12.942 -29.288 14.351 1.00 0.00 C ATOM 888 OD1 ASP A 63 -12.886 -30.052 15.300 1.00 0.00 O ATOM 889 OD2 ASP A 63 -12.048 -29.150 13.532 1.00 0.00 O ATOM 0 HA ASP A 63 -15.247 -30.361 14.423 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.296 -28.110 13.144 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.164 -27.562 14.804 1.00 0.00 H new ATOM 894 N ASP A 64 -16.298 -27.921 16.360 1.00 0.00 N ATOM 895 CA ASP A 64 -16.677 -27.665 17.776 1.00 0.00 C ATOM 896 C ASP A 64 -18.012 -28.334 18.070 1.00 0.00 C ATOM 897 O ASP A 64 -18.262 -28.783 19.171 1.00 0.00 O ATOM 898 CB ASP A 64 -16.788 -26.147 17.907 1.00 0.00 C ATOM 899 CG ASP A 64 -17.838 -25.615 16.927 1.00 0.00 C ATOM 900 OD1 ASP A 64 -17.497 -25.418 15.772 1.00 0.00 O ATOM 901 OD2 ASP A 64 -18.965 -25.413 17.349 1.00 0.00 O ATOM 0 H ASP A 64 -16.458 -27.145 15.718 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.948 -28.065 18.481 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -17.062 -25.880 18.928 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.822 -25.684 17.705 1.00 0.00 H new ATOM 906 N ALA A 65 -18.871 -28.420 17.088 1.00 0.00 N ATOM 907 CA ALA A 65 -20.182 -29.083 17.318 1.00 0.00 C ATOM 908 C ALA A 65 -19.933 -30.536 17.714 1.00 0.00 C ATOM 909 O ALA A 65 -20.601 -31.086 18.566 1.00 0.00 O ATOM 910 CB ALA A 65 -20.927 -29.004 15.989 1.00 0.00 C ATOM 0 H ALA A 65 -18.721 -28.062 16.145 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.759 -28.612 18.113 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.904 -29.476 16.091 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -21.057 -27.959 15.706 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -20.353 -29.520 15.219 1.00 0.00 H new ATOM 916 N LEU A 66 -18.949 -31.149 17.114 1.00 0.00 N ATOM 917 CA LEU A 66 -18.622 -32.556 17.469 1.00 0.00 C ATOM 918 C LEU A 66 -18.020 -32.576 18.873 1.00 0.00 C ATOM 919 O LEU A 66 -18.173 -33.524 19.616 1.00 0.00 O ATOM 920 CB LEU A 66 -17.593 -33.008 16.431 1.00 0.00 C ATOM 921 CG LEU A 66 -17.299 -34.497 16.616 1.00 0.00 C ATOM 922 CD1 LEU A 66 -18.253 -35.317 15.747 1.00 0.00 C ATOM 923 CD2 LEU A 66 -15.855 -34.786 16.200 1.00 0.00 C ATOM 0 H LEU A 66 -18.358 -30.735 16.393 1.00 0.00 H new ATOM 0 HA LEU A 66 -19.493 -33.211 17.467 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -17.971 -32.824 15.425 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.675 -32.430 16.538 1.00 0.00 H new ATOM 0 HG LEU A 66 -17.438 -34.768 17.663 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.044 -36.379 15.879 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -19.282 -35.111 16.042 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.115 -35.047 14.700 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.644 -35.847 16.331 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.717 -34.515 15.153 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.174 -34.201 16.819 1.00 0.00 H new ATOM 935 N LEU A 67 -17.346 -31.517 19.243 1.00 0.00 N ATOM 936 CA LEU A 67 -16.743 -31.449 20.603 1.00 0.00 C ATOM 937 C LEU A 67 -17.833 -31.148 21.637 1.00 0.00 C ATOM 938 O LEU A 67 -17.803 -31.634 22.751 1.00 0.00 O ATOM 939 CB LEU A 67 -15.739 -30.296 20.531 1.00 0.00 C ATOM 940 CG LEU A 67 -14.648 -30.500 21.584 1.00 0.00 C ATOM 941 CD1 LEU A 67 -13.451 -29.605 21.259 1.00 0.00 C ATOM 942 CD2 LEU A 67 -15.199 -30.132 22.964 1.00 0.00 C ATOM 0 H LEU A 67 -17.188 -30.696 18.659 1.00 0.00 H new ATOM 0 HA LEU A 67 -16.267 -32.384 20.898 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.295 -30.249 19.537 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -16.247 -29.347 20.699 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.332 -31.543 21.583 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.674 -29.750 22.009 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.059 -29.864 20.276 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.766 -28.561 21.260 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.423 -30.277 23.716 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.514 -29.088 22.964 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.053 -30.769 23.196 1.00 0.00 H new ATOM 954 N LYS A 68 -18.800 -30.348 21.267 1.00 0.00 N ATOM 955 CA LYS A 68 -19.899 -30.006 22.214 1.00 0.00 C ATOM 956 C LYS A 68 -20.983 -31.086 22.186 1.00 0.00 C ATOM 957 O LYS A 68 -21.331 -31.650 23.202 1.00 0.00 O ATOM 958 CB LYS A 68 -20.458 -28.674 21.707 1.00 0.00 C ATOM 959 CG LYS A 68 -19.898 -27.523 22.548 1.00 0.00 C ATOM 960 CD LYS A 68 -18.884 -26.728 21.723 1.00 0.00 C ATOM 961 CE LYS A 68 -19.622 -25.727 20.831 1.00 0.00 C ATOM 962 NZ LYS A 68 -18.841 -24.463 20.945 1.00 0.00 N ATOM 0 H LYS A 68 -18.874 -29.916 20.346 1.00 0.00 H new ATOM 0 HA LYS A 68 -19.548 -29.938 23.244 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -20.193 -28.533 20.659 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -21.547 -28.681 21.763 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -20.708 -26.870 22.874 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.423 -27.915 23.447 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -18.194 -26.203 22.384 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -18.287 -27.404 21.112 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.664 -26.074 19.798 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.651 -25.587 21.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.285 -23.727 20.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.824 -24.154 21.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.868 -24.626 20.617 1.00 0.00 H new ATOM 976 N MET A 69 -21.521 -31.379 21.030 1.00 0.00 N ATOM 977 CA MET A 69 -22.586 -32.425 20.944 1.00 0.00 C ATOM 978 C MET A 69 -22.105 -33.735 21.581 1.00 0.00 C ATOM 979 O MET A 69 -22.823 -34.372 22.330 1.00 0.00 O ATOM 980 CB MET A 69 -22.837 -32.618 19.448 1.00 0.00 C ATOM 981 CG MET A 69 -24.259 -33.139 19.232 1.00 0.00 C ATOM 982 SD MET A 69 -25.402 -31.741 19.115 1.00 0.00 S ATOM 983 CE MET A 69 -26.758 -32.475 20.061 1.00 0.00 C ATOM 0 H MET A 69 -21.270 -30.941 20.144 1.00 0.00 H new ATOM 0 HA MET A 69 -23.491 -32.130 21.475 1.00 0.00 H new ATOM 0 HB2 MET A 69 -22.700 -31.674 18.921 1.00 0.00 H new ATOM 0 HB3 MET A 69 -22.114 -33.321 19.035 1.00 0.00 H new ATOM 0 HG2 MET A 69 -24.304 -33.737 18.322 1.00 0.00 H new ATOM 0 HG3 MET A 69 -24.548 -33.791 20.056 1.00 0.00 H new ATOM 0 HE1 MET A 69 -27.587 -31.769 20.116 1.00 0.00 H new ATOM 0 HE2 MET A 69 -27.091 -33.389 19.570 1.00 0.00 H new ATOM 0 HE3 MET A 69 -26.414 -32.709 21.068 1.00 0.00 H new ATOM 993 N THR A 70 -20.898 -34.140 21.291 1.00 0.00 N ATOM 994 CA THR A 70 -20.371 -35.410 21.877 1.00 0.00 C ATOM 995 C THR A 70 -20.199 -35.271 23.391 1.00 0.00 C ATOM 996 O THR A 70 -20.532 -36.165 24.144 1.00 0.00 O ATOM 997 CB THR A 70 -19.017 -35.633 21.198 1.00 0.00 C ATOM 998 OG1 THR A 70 -19.207 -35.742 19.795 1.00 0.00 O ATOM 999 CG2 THR A 70 -18.381 -36.919 21.728 1.00 0.00 C ATOM 0 H THR A 70 -20.253 -33.647 20.674 1.00 0.00 H new ATOM 0 HA THR A 70 -21.050 -36.247 21.715 1.00 0.00 H new ATOM 0 HB THR A 70 -18.360 -34.791 21.414 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.113 -34.858 19.383 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.417 -37.075 21.243 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.236 -36.836 22.805 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.036 -37.764 21.514 1.00 0.00 H new ATOM 1007 N ILE A 71 -19.679 -34.161 23.846 1.00 0.00 N ATOM 1008 CA ILE A 71 -19.489 -33.981 25.311 1.00 0.00 C ATOM 1009 C ILE A 71 -20.793 -33.506 25.966 1.00 0.00 C ATOM 1010 O ILE A 71 -20.903 -33.448 27.174 1.00 0.00 O ATOM 1011 CB ILE A 71 -18.377 -32.932 25.440 1.00 0.00 C ATOM 1012 CG1 ILE A 71 -17.624 -33.164 26.749 1.00 0.00 C ATOM 1013 CG2 ILE A 71 -18.963 -31.516 25.430 1.00 0.00 C ATOM 1014 CD1 ILE A 71 -16.797 -34.447 26.638 1.00 0.00 C ATOM 0 H ILE A 71 -19.380 -33.376 23.268 1.00 0.00 H new ATOM 0 HA ILE A 71 -19.220 -34.909 25.815 1.00 0.00 H new ATOM 0 HB ILE A 71 -17.698 -33.030 24.593 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -16.973 -32.316 26.963 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -18.328 -33.242 27.578 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -18.157 -30.788 25.523 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -19.497 -31.350 24.494 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -19.653 -31.402 26.266 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -16.259 -34.615 27.571 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -17.459 -35.291 26.444 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -16.083 -34.350 25.820 1.00 0.00 H new ATOM 1026 N SER A 72 -21.780 -33.172 25.178 1.00 0.00 N ATOM 1027 CA SER A 72 -23.070 -32.707 25.759 1.00 0.00 C ATOM 1028 C SER A 72 -23.911 -33.912 26.188 1.00 0.00 C ATOM 1029 O SER A 72 -24.581 -33.884 27.203 1.00 0.00 O ATOM 1030 CB SER A 72 -23.763 -31.942 24.632 1.00 0.00 C ATOM 1031 OG SER A 72 -25.098 -31.642 25.019 1.00 0.00 O ATOM 0 H SER A 72 -21.748 -33.201 24.159 1.00 0.00 H new ATOM 0 HA SER A 72 -22.928 -32.083 26.642 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.220 -31.022 24.414 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.762 -32.537 23.719 1.00 0.00 H new ATOM 0 HG SER A 72 -25.545 -31.150 24.299 1.00 0.00 H new ATOM 1037 N GLN A 73 -23.876 -34.969 25.423 1.00 0.00 N ATOM 1038 CA GLN A 73 -24.669 -36.181 25.784 1.00 0.00 C ATOM 1039 C GLN A 73 -23.844 -37.108 26.683 1.00 0.00 C ATOM 1040 O GLN A 73 -24.381 -37.925 27.405 1.00 0.00 O ATOM 1041 CB GLN A 73 -24.978 -36.863 24.450 1.00 0.00 C ATOM 1042 CG GLN A 73 -25.999 -36.029 23.675 1.00 0.00 C ATOM 1043 CD GLN A 73 -26.680 -36.906 22.623 1.00 0.00 C ATOM 1044 OE1 GLN A 73 -27.890 -37.025 22.605 1.00 0.00 O ATOM 1045 NE2 GLN A 73 -25.950 -37.530 21.739 1.00 0.00 N ATOM 0 H GLN A 73 -23.333 -35.047 24.563 1.00 0.00 H new ATOM 0 HA GLN A 73 -25.576 -35.931 26.335 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -24.064 -36.974 23.866 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -25.369 -37.866 24.624 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -26.742 -35.618 24.358 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -25.505 -35.184 23.195 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.935 -37.430 21.754 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -26.395 -38.117 21.033 1.00 0.00 H new ATOM 1054 N GLN A 74 -22.542 -36.988 26.644 1.00 0.00 N ATOM 1055 CA GLN A 74 -21.685 -37.865 27.494 1.00 0.00 C ATOM 1056 C GLN A 74 -21.418 -37.199 28.848 1.00 0.00 C ATOM 1057 O GLN A 74 -21.404 -37.848 29.876 1.00 0.00 O ATOM 1058 CB GLN A 74 -20.383 -38.027 26.710 1.00 0.00 C ATOM 1059 CG GLN A 74 -20.494 -39.235 25.778 1.00 0.00 C ATOM 1060 CD GLN A 74 -21.564 -38.966 24.718 1.00 0.00 C ATOM 1061 OE1 GLN A 74 -22.744 -38.994 25.009 1.00 0.00 O ATOM 1062 NE2 GLN A 74 -21.201 -38.705 23.493 1.00 0.00 N ATOM 0 H GLN A 74 -22.036 -36.321 26.061 1.00 0.00 H new ATOM 0 HA GLN A 74 -22.158 -38.825 27.702 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -20.180 -37.126 26.132 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -19.547 -38.160 27.397 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -19.534 -39.428 25.300 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -20.750 -40.127 26.350 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -20.211 -38.681 23.248 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -21.907 -38.524 22.779 1.00 0.00 H new ATOM 1203 N LEU A 84 -37.726 -34.088 42.712 1.00 0.00 N ATOM 1204 CA LEU A 84 -38.734 -32.996 42.842 1.00 0.00 C ATOM 1205 C LEU A 84 -38.161 -31.841 43.668 1.00 0.00 C ATOM 1206 O LEU A 84 -38.420 -30.684 43.400 1.00 0.00 O ATOM 1207 CB LEU A 84 -39.921 -33.632 43.566 1.00 0.00 C ATOM 1208 CG LEU A 84 -40.509 -34.749 42.702 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -41.265 -35.738 43.590 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -41.473 -34.145 41.678 1.00 0.00 C ATOM 0 HA LEU A 84 -39.020 -32.584 41.874 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -39.601 -34.032 44.528 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -40.681 -32.878 43.771 1.00 0.00 H new ATOM 0 HG LEU A 84 -39.704 -35.269 42.183 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -41.684 -36.534 42.974 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -40.580 -36.168 44.321 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -42.071 -35.219 44.109 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -41.893 -34.939 41.061 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -42.278 -33.625 42.198 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -40.936 -33.439 41.044 1.00 0.00 H new ATOM 1222 N SER A 85 -37.382 -32.147 44.673 1.00 0.00 N ATOM 1223 CA SER A 85 -36.790 -31.068 45.518 1.00 0.00 C ATOM 1224 C SER A 85 -35.901 -30.155 44.669 1.00 0.00 C ATOM 1225 O SER A 85 -35.772 -28.977 44.935 1.00 0.00 O ATOM 1226 CB SER A 85 -35.958 -31.798 46.571 1.00 0.00 C ATOM 1227 OG SER A 85 -34.853 -32.431 45.940 1.00 0.00 O ATOM 0 H SER A 85 -37.130 -33.097 44.945 1.00 0.00 H new ATOM 0 HA SER A 85 -37.553 -30.435 45.970 1.00 0.00 H new ATOM 0 HB2 SER A 85 -35.607 -31.094 47.325 1.00 0.00 H new ATOM 0 HB3 SER A 85 -36.570 -32.538 47.086 1.00 0.00 H new ATOM 0 HG SER A 85 -34.316 -32.899 46.613 1.00 0.00 H new ATOM 1233 N SER A 86 -35.289 -30.693 43.648 1.00 0.00 N ATOM 1234 CA SER A 86 -34.407 -29.859 42.780 1.00 0.00 C ATOM 1235 C SER A 86 -35.175 -29.397 41.538 1.00 0.00 C ATOM 1236 O SER A 86 -34.617 -29.262 40.467 1.00 0.00 O ATOM 1237 CB SER A 86 -33.254 -30.781 42.385 1.00 0.00 C ATOM 1238 OG SER A 86 -32.616 -31.264 43.560 1.00 0.00 O ATOM 0 H SER A 86 -35.362 -31.674 43.377 1.00 0.00 H new ATOM 0 HA SER A 86 -34.055 -28.962 43.289 1.00 0.00 H new ATOM 0 HB2 SER A 86 -33.627 -31.615 41.791 1.00 0.00 H new ATOM 0 HB3 SER A 86 -32.538 -30.242 41.764 1.00 0.00 H new ATOM 0 HG SER A 86 -31.877 -31.857 43.311 1.00 0.00 H new ATOM 1244 N MET A 87 -36.452 -29.155 41.675 1.00 0.00 N ATOM 1245 CA MET A 87 -37.257 -28.702 40.505 1.00 0.00 C ATOM 1246 C MET A 87 -38.067 -27.454 40.870 1.00 0.00 C ATOM 1247 O MET A 87 -38.868 -27.468 41.784 1.00 0.00 O ATOM 1248 CB MET A 87 -38.188 -29.873 40.189 1.00 0.00 C ATOM 1249 CG MET A 87 -37.522 -30.791 39.161 1.00 0.00 C ATOM 1250 SD MET A 87 -38.791 -31.564 38.128 1.00 0.00 S ATOM 1251 CE MET A 87 -39.190 -32.932 39.244 1.00 0.00 C ATOM 0 H MET A 87 -36.972 -29.252 42.547 1.00 0.00 H new ATOM 0 HA MET A 87 -36.633 -28.436 39.652 1.00 0.00 H new ATOM 0 HB2 MET A 87 -38.411 -30.430 41.099 1.00 0.00 H new ATOM 0 HB3 MET A 87 -39.137 -29.503 39.801 1.00 0.00 H new ATOM 0 HG2 MET A 87 -36.832 -30.219 38.541 1.00 0.00 H new ATOM 0 HG3 MET A 87 -36.935 -31.557 39.668 1.00 0.00 H new ATOM 0 HE1 MET A 87 -39.889 -33.610 38.754 1.00 0.00 H new ATOM 0 HE2 MET A 87 -38.278 -33.472 39.498 1.00 0.00 H new ATOM 0 HE3 MET A 87 -39.644 -32.539 40.154 1.00 0.00 H new ATOM 1261 N THR A 88 -37.861 -26.375 40.161 1.00 0.00 N ATOM 1262 CA THR A 88 -38.615 -25.122 40.464 1.00 0.00 C ATOM 1263 C THR A 88 -40.104 -25.312 40.161 1.00 0.00 C ATOM 1264 O THR A 88 -40.535 -26.376 39.762 1.00 0.00 O ATOM 1265 CB THR A 88 -38.018 -24.059 39.538 1.00 0.00 C ATOM 1266 OG1 THR A 88 -38.281 -24.409 38.187 1.00 0.00 O ATOM 1267 CG2 THR A 88 -36.507 -23.971 39.758 1.00 0.00 C ATOM 0 H THR A 88 -37.203 -26.307 39.385 1.00 0.00 H new ATOM 0 HA THR A 88 -38.534 -24.841 41.514 1.00 0.00 H new ATOM 0 HB THR A 88 -38.470 -23.092 39.760 1.00 0.00 H new ATOM 0 HG1 THR A 88 -37.511 -24.890 37.818 1.00 0.00 H new ATOM 0 HG21 THR A 88 -36.087 -23.213 39.097 1.00 0.00 H new ATOM 0 HG22 THR A 88 -36.305 -23.700 40.794 1.00 0.00 H new ATOM 0 HG23 THR A 88 -36.051 -24.937 39.540 1.00 0.00 H new ATOM 1275 N GLU A 89 -40.892 -24.285 40.348 1.00 0.00 N ATOM 1276 CA GLU A 89 -42.354 -24.402 40.070 1.00 0.00 C ATOM 1277 C GLU A 89 -42.586 -24.749 38.596 1.00 0.00 C ATOM 1278 O GLU A 89 -43.496 -25.481 38.258 1.00 0.00 O ATOM 1279 CB GLU A 89 -42.937 -23.024 40.400 1.00 0.00 C ATOM 1280 CG GLU A 89 -42.297 -21.959 39.506 1.00 0.00 C ATOM 1281 CD GLU A 89 -42.412 -20.591 40.180 1.00 0.00 C ATOM 1282 OE1 GLU A 89 -43.485 -20.282 40.671 1.00 0.00 O ATOM 1283 OE2 GLU A 89 -41.424 -19.874 40.193 1.00 0.00 O ATOM 0 H GLU A 89 -40.586 -23.371 40.681 1.00 0.00 H new ATOM 0 HA GLU A 89 -42.824 -25.190 40.658 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -44.017 -23.032 40.254 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -42.759 -22.786 41.449 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -41.249 -22.201 39.327 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -42.791 -21.940 38.534 1.00 0.00 H new ATOM 1290 N GLU A 90 -41.769 -24.231 37.717 1.00 0.00 N ATOM 1291 CA GLU A 90 -41.943 -24.537 36.268 1.00 0.00 C ATOM 1292 C GLU A 90 -41.344 -25.907 35.946 1.00 0.00 C ATOM 1293 O GLU A 90 -41.829 -26.619 35.089 1.00 0.00 O ATOM 1294 CB GLU A 90 -41.189 -23.433 35.526 1.00 0.00 C ATOM 1295 CG GLU A 90 -41.766 -22.069 35.908 1.00 0.00 C ATOM 1296 CD GLU A 90 -41.461 -21.057 34.801 1.00 0.00 C ATOM 1297 OE1 GLU A 90 -41.703 -21.378 33.650 1.00 0.00 O ATOM 1298 OE2 GLU A 90 -40.992 -19.979 35.125 1.00 0.00 O ATOM 0 H GLU A 90 -40.991 -23.611 37.940 1.00 0.00 H new ATOM 0 HA GLU A 90 -42.993 -24.570 35.979 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -40.129 -23.473 35.775 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -41.270 -23.584 34.450 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -42.843 -22.147 36.057 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -41.337 -21.732 36.852 1.00 0.00 H new ATOM 1305 N GLU A 91 -40.295 -26.286 36.630 1.00 0.00 N ATOM 1306 CA GLU A 91 -39.669 -27.616 36.365 1.00 0.00 C ATOM 1307 C GLU A 91 -40.711 -28.725 36.547 1.00 0.00 C ATOM 1308 O GLU A 91 -41.041 -29.438 35.618 1.00 0.00 O ATOM 1309 CB GLU A 91 -38.550 -27.751 37.401 1.00 0.00 C ATOM 1310 CG GLU A 91 -37.231 -28.072 36.694 1.00 0.00 C ATOM 1311 CD GLU A 91 -36.795 -26.869 35.856 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -36.914 -25.757 36.345 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -36.348 -27.079 34.741 1.00 0.00 O ATOM 0 H GLU A 91 -39.845 -25.733 37.360 1.00 0.00 H new ATOM 0 HA GLU A 91 -39.284 -27.698 35.348 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -38.454 -26.826 37.970 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -38.794 -28.539 38.113 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -36.463 -28.315 37.428 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -37.352 -28.948 36.057 1.00 0.00 H new ATOM 1320 N GLN A 92 -41.242 -28.864 37.734 1.00 0.00 N ATOM 1321 CA GLN A 92 -42.276 -29.915 37.971 1.00 0.00 C ATOM 1322 C GLN A 92 -43.475 -29.672 37.052 1.00 0.00 C ATOM 1323 O GLN A 92 -44.208 -30.580 36.715 1.00 0.00 O ATOM 1324 CB GLN A 92 -42.683 -29.757 39.436 1.00 0.00 C ATOM 1325 CG GLN A 92 -41.485 -30.057 40.338 1.00 0.00 C ATOM 1326 CD GLN A 92 -41.979 -30.614 41.674 1.00 0.00 C ATOM 1327 OE1 GLN A 92 -42.732 -31.566 41.708 1.00 0.00 O ATOM 1328 NE2 GLN A 92 -41.583 -30.055 42.786 1.00 0.00 N ATOM 0 H GLN A 92 -41.005 -28.297 38.548 1.00 0.00 H new ATOM 0 HA GLN A 92 -41.905 -30.919 37.764 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -43.042 -28.744 39.617 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -43.505 -30.433 39.670 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -40.823 -30.776 39.855 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -40.904 -29.150 40.503 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -40.950 -29.255 42.758 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -41.906 -30.418 43.683 1.00 0.00 H new ATOM 1337 N ILE A 93 -43.675 -28.446 36.642 1.00 0.00 N ATOM 1338 CA ILE A 93 -44.819 -28.131 35.741 1.00 0.00 C ATOM 1339 C ILE A 93 -44.542 -28.692 34.342 1.00 0.00 C ATOM 1340 O ILE A 93 -45.397 -29.297 33.726 1.00 0.00 O ATOM 1341 CB ILE A 93 -44.902 -26.595 35.734 1.00 0.00 C ATOM 1342 CG1 ILE A 93 -46.044 -26.156 36.658 1.00 0.00 C ATOM 1343 CG2 ILE A 93 -45.159 -26.073 34.313 1.00 0.00 C ATOM 1344 CD1 ILE A 93 -46.142 -24.630 36.670 1.00 0.00 C ATOM 0 H ILE A 93 -43.092 -27.648 36.894 1.00 0.00 H new ATOM 0 HA ILE A 93 -45.759 -28.574 36.070 1.00 0.00 H new ATOM 0 HB ILE A 93 -43.955 -26.184 36.085 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -46.986 -26.587 36.318 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -45.870 -26.526 37.668 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -45.214 -24.985 34.330 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -44.345 -26.385 33.658 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -46.100 -26.478 33.941 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -46.955 -24.323 37.328 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -45.204 -24.208 37.031 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -46.337 -24.270 35.660 1.00 0.00 H new ATOM 1356 N ALA A 94 -43.350 -28.502 33.840 1.00 0.00 N ATOM 1357 CA ALA A 94 -43.018 -29.034 32.486 1.00 0.00 C ATOM 1358 C ALA A 94 -43.216 -30.550 32.469 1.00 0.00 C ATOM 1359 O ALA A 94 -43.606 -31.127 31.473 1.00 0.00 O ATOM 1360 CB ALA A 94 -41.547 -28.680 32.265 1.00 0.00 C ATOM 0 H ALA A 94 -42.594 -28.003 34.308 1.00 0.00 H new ATOM 0 HA ALA A 94 -43.652 -28.615 31.705 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -41.229 -29.040 31.287 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -41.422 -27.598 32.312 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -40.940 -29.149 33.039 1.00 0.00 H new ATOM 1366 N TYR A 95 -42.958 -31.195 33.575 1.00 0.00 N ATOM 1367 CA TYR A 95 -43.135 -32.673 33.646 1.00 0.00 C ATOM 1368 C TYR A 95 -44.606 -33.008 33.911 1.00 0.00 C ATOM 1369 O TYR A 95 -45.208 -33.809 33.220 1.00 0.00 O ATOM 1370 CB TYR A 95 -42.260 -33.115 34.821 1.00 0.00 C ATOM 1371 CG TYR A 95 -41.806 -34.540 34.614 1.00 0.00 C ATOM 1372 CD1 TYR A 95 -41.182 -34.912 33.417 1.00 0.00 C ATOM 1373 CD2 TYR A 95 -42.008 -35.489 35.622 1.00 0.00 C ATOM 1374 CE1 TYR A 95 -40.760 -36.233 33.229 1.00 0.00 C ATOM 1375 CE2 TYR A 95 -41.586 -36.810 35.435 1.00 0.00 C ATOM 1376 CZ TYR A 95 -40.962 -37.183 34.238 1.00 0.00 C ATOM 1377 OH TYR A 95 -40.546 -38.486 34.053 1.00 0.00 O ATOM 0 H TYR A 95 -42.630 -30.758 34.437 1.00 0.00 H new ATOM 0 HA TYR A 95 -42.855 -33.175 32.720 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -41.395 -32.458 34.910 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -42.819 -33.034 35.753 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -41.026 -34.179 32.639 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -42.490 -35.202 36.545 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -40.279 -36.520 32.306 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -41.742 -37.542 36.214 1.00 0.00 H new ATOM 0 HH TYR A 95 -40.761 -39.014 34.850 1.00 0.00 H new ATOM 1387 N ALA A 96 -45.188 -32.392 34.907 1.00 0.00 N ATOM 1388 CA ALA A 96 -46.622 -32.662 35.223 1.00 0.00 C ATOM 1389 C ALA A 96 -47.495 -32.332 34.011 1.00 0.00 C ATOM 1390 O ALA A 96 -48.477 -32.995 33.742 1.00 0.00 O ATOM 1391 CB ALA A 96 -46.955 -31.736 36.394 1.00 0.00 C ATOM 0 H ALA A 96 -44.731 -31.713 35.516 1.00 0.00 H new ATOM 0 HA ALA A 96 -46.802 -33.708 35.472 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -47.996 -31.877 36.685 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -46.307 -31.971 37.239 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -46.799 -30.700 36.094 1.00 0.00 H new ATOM 1397 N MET A 97 -47.139 -31.314 33.272 1.00 0.00 N ATOM 1398 CA MET A 97 -47.939 -30.948 32.072 1.00 0.00 C ATOM 1399 C MET A 97 -47.619 -31.913 30.930 1.00 0.00 C ATOM 1400 O MET A 97 -48.422 -32.132 30.044 1.00 0.00 O ATOM 1401 CB MET A 97 -47.500 -29.526 31.716 1.00 0.00 C ATOM 1402 CG MET A 97 -48.481 -28.927 30.707 1.00 0.00 C ATOM 1403 SD MET A 97 -48.306 -27.125 30.693 1.00 0.00 S ATOM 1404 CE MET A 97 -50.000 -26.729 31.190 1.00 0.00 C ATOM 0 H MET A 97 -46.328 -30.722 33.450 1.00 0.00 H new ATOM 0 HA MET A 97 -49.013 -31.002 32.252 1.00 0.00 H new ATOM 0 HB2 MET A 97 -47.464 -28.910 32.614 1.00 0.00 H new ATOM 0 HB3 MET A 97 -46.494 -29.539 31.297 1.00 0.00 H new ATOM 0 HG2 MET A 97 -48.288 -29.330 29.713 1.00 0.00 H new ATOM 0 HG3 MET A 97 -49.503 -29.202 30.969 1.00 0.00 H new ATOM 0 HE1 MET A 97 -50.119 -25.647 31.246 1.00 0.00 H new ATOM 0 HE2 MET A 97 -50.698 -27.133 30.457 1.00 0.00 H new ATOM 0 HE3 MET A 97 -50.205 -27.168 32.167 1.00 0.00 H new ATOM 1414 N GLN A 98 -46.447 -32.495 30.950 1.00 0.00 N ATOM 1415 CA GLN A 98 -46.073 -33.450 29.871 1.00 0.00 C ATOM 1416 C GLN A 98 -47.026 -34.646 29.877 1.00 0.00 C ATOM 1417 O GLN A 98 -47.485 -35.093 28.843 1.00 0.00 O ATOM 1418 CB GLN A 98 -44.649 -33.901 30.207 1.00 0.00 C ATOM 1419 CG GLN A 98 -43.910 -34.281 28.919 1.00 0.00 C ATOM 1420 CD GLN A 98 -43.542 -35.766 28.956 1.00 0.00 C ATOM 1421 OE1 GLN A 98 -42.906 -36.223 29.884 1.00 0.00 O ATOM 1422 NE2 GLN A 98 -43.920 -36.543 27.978 1.00 0.00 N ATOM 0 H GLN A 98 -45.736 -32.349 31.667 1.00 0.00 H new ATOM 0 HA GLN A 98 -46.131 -32.996 28.882 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -44.116 -33.101 30.721 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -44.678 -34.753 30.886 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -44.538 -34.073 28.053 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -43.010 -33.676 28.812 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -44.454 -36.159 27.199 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -43.681 -37.535 27.993 1.00 0.00 H new ATOM 1431 N MET A 99 -47.329 -35.165 31.038 1.00 0.00 N ATOM 1432 CA MET A 99 -48.255 -36.333 31.117 1.00 0.00 C ATOM 1433 C MET A 99 -49.702 -35.873 30.916 1.00 0.00 C ATOM 1434 O MET A 99 -50.512 -36.573 30.342 1.00 0.00 O ATOM 1435 CB MET A 99 -48.063 -36.898 32.526 1.00 0.00 C ATOM 1436 CG MET A 99 -47.103 -38.087 32.473 1.00 0.00 C ATOM 1437 SD MET A 99 -47.376 -39.147 33.915 1.00 0.00 S ATOM 1438 CE MET A 99 -45.636 -39.442 34.311 1.00 0.00 C ATOM 0 H MET A 99 -46.975 -34.831 31.934 1.00 0.00 H new ATOM 0 HA MET A 99 -48.047 -37.078 30.348 1.00 0.00 H new ATOM 0 HB2 MET A 99 -47.668 -36.127 33.188 1.00 0.00 H new ATOM 0 HB3 MET A 99 -49.023 -37.210 32.938 1.00 0.00 H new ATOM 0 HG2 MET A 99 -47.260 -38.655 31.556 1.00 0.00 H new ATOM 0 HG3 MET A 99 -46.072 -37.735 32.457 1.00 0.00 H new ATOM 0 HE1 MET A 99 -45.566 -40.087 35.187 1.00 0.00 H new ATOM 0 HE2 MET A 99 -45.147 -39.925 33.465 1.00 0.00 H new ATOM 0 HE3 MET A 99 -45.144 -38.492 34.520 1.00 0.00 H new ATOM 1448 N SER A 100 -50.030 -34.698 31.387 1.00 0.00 N ATOM 1449 CA SER A 100 -51.424 -34.189 31.225 1.00 0.00 C ATOM 1450 C SER A 100 -51.740 -33.967 29.743 1.00 0.00 C ATOM 1451 O SER A 100 -52.886 -33.976 29.336 1.00 0.00 O ATOM 1452 CB SER A 100 -51.455 -32.863 31.984 1.00 0.00 C ATOM 1453 OG SER A 100 -52.694 -32.742 32.668 1.00 0.00 O ATOM 0 H SER A 100 -49.393 -34.069 31.877 1.00 0.00 H new ATOM 0 HA SER A 100 -52.165 -34.893 31.605 1.00 0.00 H new ATOM 0 HB2 SER A 100 -50.629 -32.818 32.694 1.00 0.00 H new ATOM 0 HB3 SER A 100 -51.326 -32.031 31.291 1.00 0.00 H new ATOM 0 HG SER A 100 -52.716 -31.893 33.157 1.00 0.00 H new ATOM 1459 N LEU A 101 -50.734 -33.766 28.933 1.00 0.00 N ATOM 1460 CA LEU A 101 -50.978 -33.542 27.476 1.00 0.00 C ATOM 1461 C LEU A 101 -51.701 -34.748 26.869 1.00 0.00 C ATOM 1462 O LEU A 101 -52.605 -34.605 26.070 1.00 0.00 O ATOM 1463 CB LEU A 101 -49.586 -33.378 26.853 1.00 0.00 C ATOM 1464 CG LEU A 101 -49.406 -31.946 26.335 1.00 0.00 C ATOM 1465 CD1 LEU A 101 -50.489 -31.629 25.297 1.00 0.00 C ATOM 1466 CD2 LEU A 101 -49.510 -30.960 27.504 1.00 0.00 C ATOM 0 H LEU A 101 -49.754 -33.747 29.216 1.00 0.00 H new ATOM 0 HA LEU A 101 -51.607 -32.670 27.295 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -48.819 -33.604 27.593 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -49.459 -34.087 26.035 1.00 0.00 H new ATOM 0 HG LEU A 101 -48.425 -31.854 25.869 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -50.356 -30.610 24.932 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -50.409 -32.326 24.463 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -51.473 -31.725 25.757 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -49.382 -29.943 27.134 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -50.489 -31.055 27.974 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -48.733 -31.181 28.236 1.00 0.00 H new