USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 931 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.00093) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 137:sc= 1.99 (180deg=-0.399) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= 1.16 (180deg=0.938) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.13) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= 0.903 (180deg=0.228) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -34:sc= 1.29 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0816 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.501 K(o=-0.5,f=-3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc=-0.00862 X(o=-0.0086,f=0) USER MOD Single : A 81 ASN : amide:sc= -0.232 K(o=-0.23,f=-0.8) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 75:sc= 0.057 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00359 USER MOD Single : A 91 MET CE :methyl -177:sc= -0.182 (180deg=-0.209) USER MOD Single : A 93 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.43) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.344 K(o=-0.34,f=-1.2) USER MOD Single : A 99 HIS : no HD1:sc= -0.0288 X(o=-0.029,f=-0.23) USER MOD Single : A 103 TYR OH : rot 180:sc= 0.0499 USER MOD Single : A 106 TYR OH : rot 0:sc= 0 USER MOD Single : A 109 TYR OH : rot 171:sc= 0.529 USER MOD Single : A 110 SER OG : rot 180:sc= -0.174 USER MOD Single : A 113 SER OG : rot 48:sc= 0.132 USER MOD Single : B 732 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N HIS A 9 -8.591 13.447 4.124 1.00 0.00 N ATOM 198 CA HIS A 9 -9.760 14.279 4.370 1.00 0.00 C ATOM 199 C HIS A 9 -11.068 13.554 3.989 1.00 0.00 C ATOM 200 O HIS A 9 -11.910 13.418 4.881 1.00 0.00 O ATOM 201 CB HIS A 9 -9.637 15.656 3.692 1.00 0.00 C ATOM 202 CG HIS A 9 -10.980 16.330 3.547 1.00 0.00 C ATOM 203 ND1 HIS A 9 -11.802 16.740 4.574 1.00 0.00 N ATOM 204 CD2 HIS A 9 -11.694 16.428 2.383 1.00 0.00 C ATOM 205 CE1 HIS A 9 -12.991 17.062 4.042 1.00 0.00 C ATOM 206 NE2 HIS A 9 -12.977 16.882 2.708 1.00 0.00 N ATOM 0 HA HIS A 9 -9.804 14.463 5.443 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.972 16.292 4.277 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.181 15.538 2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.332 16.197 1.392 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.841 17.416 4.606 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.749 17.044 2.062 1.00 0.00 H new ATOM 214 N PRO A 10 -11.290 13.089 2.736 1.00 0.00 N ATOM 215 CA PRO A 10 -12.520 12.415 2.317 1.00 0.00 C ATOM 216 C PRO A 10 -12.669 11.002 2.909 1.00 0.00 C ATOM 217 O PRO A 10 -12.660 10.000 2.187 1.00 0.00 O ATOM 218 CB PRO A 10 -12.475 12.446 0.781 1.00 0.00 C ATOM 219 CG PRO A 10 -10.987 12.355 0.477 1.00 0.00 C ATOM 220 CD PRO A 10 -10.386 13.192 1.596 1.00 0.00 C ATOM 0 HA PRO A 10 -13.410 12.919 2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.027 11.614 0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.912 13.362 0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.628 11.326 0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.746 12.756 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.392 12.830 1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.275 14.231 1.284 1.00 0.00 H new ATOM 228 N PHE A 11 -12.868 10.926 4.227 1.00 0.00 N ATOM 229 CA PHE A 11 -13.032 9.697 4.986 1.00 0.00 C ATOM 230 C PHE A 11 -14.186 8.880 4.409 1.00 0.00 C ATOM 231 O PHE A 11 -14.022 7.691 4.158 1.00 0.00 O ATOM 232 CB PHE A 11 -13.238 10.008 6.479 1.00 0.00 C ATOM 233 CG PHE A 11 -13.021 8.816 7.403 1.00 0.00 C ATOM 234 CD1 PHE A 11 -13.937 7.744 7.430 1.00 0.00 C ATOM 235 CD2 PHE A 11 -11.894 8.775 8.248 1.00 0.00 C ATOM 236 CE1 PHE A 11 -13.705 6.627 8.253 1.00 0.00 C ATOM 237 CE2 PHE A 11 -11.672 7.664 9.084 1.00 0.00 C ATOM 238 CZ PHE A 11 -12.564 6.578 9.070 1.00 0.00 C ATOM 0 H PHE A 11 -12.921 11.759 4.814 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.125 9.098 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -12.556 10.807 6.769 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.250 10.385 6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.823 7.781 6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.197 9.600 8.254 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.406 5.805 8.256 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.813 7.646 9.738 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.373 5.711 9.684 1.00 0.00 H new ATOM 248 N GLU A 12 -15.327 9.507 4.113 1.00 0.00 N ATOM 249 CA GLU A 12 -16.485 8.800 3.574 1.00 0.00 C ATOM 250 C GLU A 12 -16.192 8.061 2.255 1.00 0.00 C ATOM 251 O GLU A 12 -16.782 6.999 2.014 1.00 0.00 O ATOM 252 CB GLU A 12 -17.687 9.756 3.464 1.00 0.00 C ATOM 253 CG GLU A 12 -17.520 10.877 2.424 1.00 0.00 C ATOM 254 CD GLU A 12 -18.667 11.895 2.419 1.00 0.00 C ATOM 255 OE1 GLU A 12 -19.450 11.963 3.395 1.00 0.00 O ATOM 256 OE2 GLU A 12 -18.742 12.714 1.471 1.00 0.00 O ATOM 0 H GLU A 12 -15.471 10.509 4.239 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.741 8.010 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.575 9.175 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -17.866 10.207 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.583 11.400 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.439 10.431 1.433 1.00 0.00 H new ATOM 263 N TYR A 13 -15.314 8.603 1.398 1.00 0.00 N ATOM 264 CA TYR A 13 -14.983 7.973 0.122 1.00 0.00 C ATOM 265 C TYR A 13 -14.153 6.721 0.384 1.00 0.00 C ATOM 266 O TYR A 13 -14.537 5.637 -0.053 1.00 0.00 O ATOM 267 CB TYR A 13 -14.177 8.917 -0.791 1.00 0.00 C ATOM 268 CG TYR A 13 -14.933 10.060 -1.451 1.00 0.00 C ATOM 269 CD1 TYR A 13 -15.418 11.140 -0.688 1.00 0.00 C ATOM 270 CD2 TYR A 13 -15.101 10.072 -2.851 1.00 0.00 C ATOM 271 CE1 TYR A 13 -16.061 12.223 -1.311 1.00 0.00 C ATOM 272 CE2 TYR A 13 -15.749 11.148 -3.482 1.00 0.00 C ATOM 273 CZ TYR A 13 -16.232 12.229 -2.713 1.00 0.00 C ATOM 274 OH TYR A 13 -16.885 13.252 -3.329 1.00 0.00 O ATOM 0 H TYR A 13 -14.822 9.479 1.571 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.918 7.725 -0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.365 9.344 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.719 8.317 -1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.295 11.136 0.385 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.729 9.249 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.424 13.050 -0.719 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.877 11.148 -4.554 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.908 13.091 -4.295 1.00 0.00 H new ATOM 284 N ARG A 14 -13.058 6.842 1.152 1.00 0.00 N ATOM 285 CA ARG A 14 -12.210 5.684 1.456 1.00 0.00 C ATOM 286 C ARG A 14 -13.034 4.644 2.206 1.00 0.00 C ATOM 287 O ARG A 14 -12.942 3.465 1.902 1.00 0.00 O ATOM 288 CB ARG A 14 -10.907 6.063 2.196 1.00 0.00 C ATOM 289 CG ARG A 14 -11.119 6.928 3.449 1.00 0.00 C ATOM 290 CD ARG A 14 -9.888 7.151 4.331 1.00 0.00 C ATOM 291 NE ARG A 14 -8.727 7.690 3.619 1.00 0.00 N ATOM 292 CZ ARG A 14 -7.577 8.045 4.203 1.00 0.00 C ATOM 293 NH1 ARG A 14 -7.454 8.110 5.525 1.00 0.00 N ATOM 294 NH2 ARG A 14 -6.530 8.312 3.436 1.00 0.00 N ATOM 0 H ARG A 14 -12.744 7.719 1.568 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.871 5.250 0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.387 5.149 2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.254 6.597 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.496 7.901 3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.897 6.466 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -10.153 7.833 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.609 6.203 4.792 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.800 7.802 2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.249 7.886 6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.564 8.384 5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.611 8.245 2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.643 8.585 3.860 1.00 0.00 H new ATOM 308 N LYS A 15 -13.904 5.059 3.120 1.00 0.00 N ATOM 309 CA LYS A 15 -14.741 4.158 3.890 1.00 0.00 C ATOM 310 C LYS A 15 -15.627 3.292 2.990 1.00 0.00 C ATOM 311 O LYS A 15 -15.685 2.069 3.172 1.00 0.00 O ATOM 312 CB LYS A 15 -15.533 5.017 4.890 1.00 0.00 C ATOM 313 CG LYS A 15 -16.713 4.325 5.572 1.00 0.00 C ATOM 314 CD LYS A 15 -16.260 3.088 6.306 1.00 0.00 C ATOM 315 CE LYS A 15 -17.424 2.120 6.407 1.00 0.00 C ATOM 316 NZ LYS A 15 -17.783 1.543 5.100 1.00 0.00 N ATOM 0 H LYS A 15 -14.047 6.043 3.347 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.135 3.438 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.847 5.369 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.905 5.899 4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.189 5.013 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.463 4.057 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.427 2.622 5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.901 3.351 7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.168 1.317 7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.289 2.636 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.963 0.524 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.639 2.009 4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.001 1.687 4.430 1.00 0.00 H new ATOM 330 N LYS A 16 -16.357 3.905 2.062 1.00 0.00 N ATOM 331 CA LYS A 16 -17.233 3.170 1.140 1.00 0.00 C ATOM 332 C LYS A 16 -16.447 2.276 0.186 1.00 0.00 C ATOM 333 O LYS A 16 -16.685 1.067 0.145 1.00 0.00 O ATOM 334 CB LYS A 16 -18.074 4.127 0.275 1.00 0.00 C ATOM 335 CG LYS A 16 -19.355 4.586 0.977 1.00 0.00 C ATOM 336 CD LYS A 16 -20.257 5.395 0.035 1.00 0.00 C ATOM 337 CE LYS A 16 -19.601 6.672 -0.497 1.00 0.00 C ATOM 338 NZ LYS A 16 -19.124 7.560 0.579 1.00 0.00 N ATOM 0 H LYS A 16 -16.362 4.916 1.924 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.876 2.561 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.474 4.999 0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.335 3.631 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.900 3.717 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.097 5.193 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.544 4.766 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.173 5.660 0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -18.762 6.404 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.317 7.212 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -18.942 8.508 0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.848 7.623 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -18.246 7.176 0.982 1.00 0.00 H new ATOM 352 N GLU A 17 -15.477 2.855 -0.516 1.00 0.00 N ATOM 353 CA GLU A 17 -14.674 2.156 -1.508 1.00 0.00 C ATOM 354 C GLU A 17 -13.880 1.016 -0.863 1.00 0.00 C ATOM 355 O GLU A 17 -13.802 -0.075 -1.437 1.00 0.00 O ATOM 356 CB GLU A 17 -13.770 3.185 -2.209 1.00 0.00 C ATOM 357 CG GLU A 17 -14.434 3.996 -3.344 1.00 0.00 C ATOM 358 CD GLU A 17 -15.853 4.531 -3.095 1.00 0.00 C ATOM 359 OE1 GLU A 17 -16.816 3.728 -3.101 1.00 0.00 O ATOM 360 OE2 GLU A 17 -16.030 5.767 -3.018 1.00 0.00 O ATOM 0 H GLU A 17 -15.225 3.837 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.314 1.688 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.396 3.883 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.905 2.663 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.790 4.845 -3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.462 3.368 -4.234 1.00 0.00 H new ATOM 367 N GLY A 18 -13.333 1.246 0.330 1.00 0.00 N ATOM 368 CA GLY A 18 -12.552 0.301 1.110 1.00 0.00 C ATOM 369 C GLY A 18 -13.402 -0.870 1.582 1.00 0.00 C ATOM 370 O GLY A 18 -13.006 -2.025 1.419 1.00 0.00 O ATOM 0 H GLY A 18 -13.431 2.146 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.722 -0.070 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.120 0.809 1.972 1.00 0.00 H new ATOM 374 N GLU A 19 -14.599 -0.612 2.128 1.00 0.00 N ATOM 375 CA GLU A 19 -15.455 -1.703 2.586 1.00 0.00 C ATOM 376 C GLU A 19 -15.854 -2.573 1.398 1.00 0.00 C ATOM 377 O GLU A 19 -15.853 -3.801 1.503 1.00 0.00 O ATOM 378 CB GLU A 19 -16.719 -1.193 3.303 1.00 0.00 C ATOM 379 CG GLU A 19 -17.629 -2.370 3.726 1.00 0.00 C ATOM 380 CD GLU A 19 -18.894 -1.977 4.497 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.087 -0.790 4.835 1.00 0.00 O ATOM 382 OE2 GLU A 19 -19.742 -2.864 4.749 1.00 0.00 O ATOM 0 H GLU A 19 -14.986 0.323 2.259 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.884 -2.288 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.434 -0.614 4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.269 -0.522 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.924 -2.919 2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.046 -3.055 4.342 1.00 0.00 H new ATOM 389 N LYS A 20 -16.138 -1.955 0.251 1.00 0.00 N ATOM 390 CA LYS A 20 -16.555 -2.702 -0.917 1.00 0.00 C ATOM 391 C LYS A 20 -15.415 -3.577 -1.435 1.00 0.00 C ATOM 392 O LYS A 20 -15.657 -4.771 -1.655 1.00 0.00 O ATOM 393 CB LYS A 20 -17.076 -1.702 -1.959 1.00 0.00 C ATOM 394 CG LYS A 20 -17.758 -2.354 -3.166 1.00 0.00 C ATOM 395 CD LYS A 20 -19.048 -3.107 -2.831 1.00 0.00 C ATOM 396 CE LYS A 20 -19.841 -3.344 -4.120 1.00 0.00 C ATOM 397 NZ LYS A 20 -19.201 -4.291 -5.048 1.00 0.00 N ATOM 0 H LYS A 20 -16.085 -0.946 0.114 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.362 -3.392 -0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.783 -1.027 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.243 -1.093 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.983 -1.582 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.058 -3.046 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.814 -4.058 -2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.645 -2.533 -2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.832 -3.717 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.982 -2.390 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.794 -4.401 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.266 -3.928 -5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.090 -5.214 -4.581 1.00 0.00 H new ATOM 411 N ILE A 21 -14.181 -3.067 -1.574 1.00 0.00 N ATOM 412 CA ILE A 21 -13.108 -3.936 -2.067 1.00 0.00 C ATOM 413 C ILE A 21 -12.785 -5.020 -1.037 1.00 0.00 C ATOM 414 O ILE A 21 -12.556 -6.161 -1.438 1.00 0.00 O ATOM 415 CB ILE A 21 -11.845 -3.124 -2.441 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.673 -3.982 -2.964 1.00 0.00 C ATOM 417 CG2 ILE A 21 -11.269 -2.298 -1.284 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.004 -4.764 -4.230 1.00 0.00 C ATOM 0 H ILE A 21 -13.912 -2.106 -1.363 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.459 -4.421 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.227 -2.474 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.819 -3.334 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.370 -4.681 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.386 -1.758 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.018 -1.586 -0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.993 -2.962 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.133 -5.343 -4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.837 -5.438 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.278 -4.070 -5.025 1.00 0.00 H new ATOM 430 N ARG A 22 -12.950 -4.752 0.259 1.00 0.00 N ATOM 431 CA ARG A 22 -12.680 -5.721 1.318 1.00 0.00 C ATOM 432 C ARG A 22 -13.724 -6.832 1.251 1.00 0.00 C ATOM 433 O ARG A 22 -13.416 -8.017 1.399 1.00 0.00 O ATOM 434 CB ARG A 22 -12.642 -4.960 2.655 1.00 0.00 C ATOM 435 CG ARG A 22 -12.066 -5.756 3.833 1.00 0.00 C ATOM 436 CD ARG A 22 -13.086 -6.517 4.673 1.00 0.00 C ATOM 437 NE ARG A 22 -14.034 -5.623 5.360 1.00 0.00 N ATOM 438 CZ ARG A 22 -14.910 -6.014 6.292 1.00 0.00 C ATOM 439 NH1 ARG A 22 -14.957 -7.281 6.682 1.00 0.00 N ATOM 440 NH2 ARG A 22 -15.749 -5.140 6.837 1.00 0.00 N ATOM 0 H ARG A 22 -13.277 -3.850 0.604 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.714 -6.213 1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.051 -4.053 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.655 -4.647 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.337 -6.468 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.526 -5.068 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.639 -7.204 4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.563 -7.123 5.413 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.021 -4.635 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.322 -7.965 6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.628 -7.571 7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.728 -4.163 6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.414 -5.446 7.547 1.00 0.00 H new ATOM 454 N LYS A 23 -14.985 -6.475 0.991 1.00 0.00 N ATOM 455 CA LYS A 23 -16.068 -7.449 0.883 1.00 0.00 C ATOM 456 C LYS A 23 -16.040 -8.164 -0.469 1.00 0.00 C ATOM 457 O LYS A 23 -16.660 -9.220 -0.610 1.00 0.00 O ATOM 458 CB LYS A 23 -17.417 -6.801 1.212 1.00 0.00 C ATOM 459 CG LYS A 23 -17.441 -6.530 2.723 1.00 0.00 C ATOM 460 CD LYS A 23 -18.799 -6.063 3.237 1.00 0.00 C ATOM 461 CE LYS A 23 -18.692 -5.989 4.760 1.00 0.00 C ATOM 462 NZ LYS A 23 -19.941 -5.531 5.383 1.00 0.00 N ATOM 0 H LYS A 23 -15.280 -5.509 0.851 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.917 -8.229 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.543 -5.873 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.238 -7.459 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.155 -7.439 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.692 -5.774 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.057 -5.090 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.585 -6.756 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.432 -6.972 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.882 -5.312 5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.868 -5.625 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.107 -4.534 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.734 -6.109 5.038 1.00 0.00 H new ATOM 476 N LYS A 24 -15.345 -7.641 -1.482 1.00 0.00 N ATOM 477 CA LYS A 24 -15.252 -8.327 -2.773 1.00 0.00 C ATOM 478 C LYS A 24 -14.055 -9.282 -2.720 1.00 0.00 C ATOM 479 O LYS A 24 -14.220 -10.453 -3.061 1.00 0.00 O ATOM 480 CB LYS A 24 -15.249 -7.323 -3.934 1.00 0.00 C ATOM 481 CG LYS A 24 -15.793 -7.957 -5.228 1.00 0.00 C ATOM 482 CD LYS A 24 -14.724 -8.723 -6.017 1.00 0.00 C ATOM 483 CE LYS A 24 -15.178 -8.989 -7.458 1.00 0.00 C ATOM 484 NZ LYS A 24 -14.830 -7.894 -8.388 1.00 0.00 N ATOM 0 H LYS A 24 -14.843 -6.754 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.133 -8.938 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.855 -6.457 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.234 -6.963 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.608 -8.636 -4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.212 -7.175 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.796 -8.151 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.511 -9.669 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.724 -9.915 -7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.258 -9.139 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.162 -8.132 -9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.284 -7.013 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.798 -7.765 -8.402 1.00 0.00 H new ATOM 498 N TYR A 25 -12.906 -8.836 -2.215 1.00 0.00 N ATOM 499 CA TYR A 25 -11.672 -9.595 -2.072 1.00 0.00 C ATOM 500 C TYR A 25 -11.336 -9.713 -0.582 1.00 0.00 C ATOM 501 O TYR A 25 -10.642 -8.847 -0.060 1.00 0.00 O ATOM 502 CB TYR A 25 -10.509 -8.880 -2.786 1.00 0.00 C ATOM 503 CG TYR A 25 -10.359 -9.136 -4.267 1.00 0.00 C ATOM 504 CD1 TYR A 25 -9.580 -10.222 -4.704 1.00 0.00 C ATOM 505 CD2 TYR A 25 -10.892 -8.234 -5.203 1.00 0.00 C ATOM 506 CE1 TYR A 25 -9.309 -10.389 -6.071 1.00 0.00 C ATOM 507 CE2 TYR A 25 -10.616 -8.387 -6.570 1.00 0.00 C ATOM 508 CZ TYR A 25 -9.825 -9.470 -7.011 1.00 0.00 C ATOM 509 OH TYR A 25 -9.568 -9.612 -8.337 1.00 0.00 O ATOM 0 H TYR A 25 -12.810 -7.879 -1.876 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.809 -10.580 -2.518 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.627 -7.807 -2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.580 -9.169 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -9.190 -10.929 -3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.517 -7.419 -4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.706 -11.221 -6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.008 -7.678 -7.284 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.004 -8.889 -8.834 1.00 0.00 H new ATOM 519 N PRO A 26 -11.780 -10.750 0.143 1.00 0.00 N ATOM 520 CA PRO A 26 -11.428 -10.858 1.554 1.00 0.00 C ATOM 521 C PRO A 26 -9.962 -11.273 1.723 1.00 0.00 C ATOM 522 O PRO A 26 -9.316 -10.874 2.695 1.00 0.00 O ATOM 523 CB PRO A 26 -12.366 -11.914 2.133 1.00 0.00 C ATOM 524 CG PRO A 26 -12.784 -12.769 0.931 1.00 0.00 C ATOM 525 CD PRO A 26 -12.610 -11.863 -0.293 1.00 0.00 C ATOM 0 HA PRO A 26 -11.536 -9.903 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.864 -12.516 2.891 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.231 -11.455 2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.165 -13.662 0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.816 -13.105 1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.138 -12.403 -1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.575 -11.510 -0.657 1.00 0.00 H new ATOM 533 N ASP A 27 -9.434 -12.038 0.764 1.00 0.00 N ATOM 534 CA ASP A 27 -8.075 -12.573 0.721 1.00 0.00 C ATOM 535 C ASP A 27 -7.019 -11.527 0.377 1.00 0.00 C ATOM 536 O ASP A 27 -5.848 -11.740 0.694 1.00 0.00 O ATOM 537 CB ASP A 27 -7.978 -13.697 -0.329 1.00 0.00 C ATOM 538 CG ASP A 27 -8.775 -14.938 0.057 1.00 0.00 C ATOM 539 OD1 ASP A 27 -10.019 -14.840 0.155 1.00 0.00 O ATOM 540 OD2 ASP A 27 -8.195 -16.010 0.331 1.00 0.00 O ATOM 0 H ASP A 27 -9.979 -12.316 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.874 -12.943 1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.338 -13.324 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.932 -13.971 -0.466 1.00 0.00 H new ATOM 545 N ARG A 28 -7.387 -10.411 -0.267 1.00 0.00 N ATOM 546 CA ARG A 28 -6.443 -9.357 -0.648 1.00 0.00 C ATOM 547 C ARG A 28 -6.817 -8.058 0.043 1.00 0.00 C ATOM 548 O ARG A 28 -7.982 -7.853 0.370 1.00 0.00 O ATOM 549 CB ARG A 28 -6.322 -9.213 -2.181 1.00 0.00 C ATOM 550 CG ARG A 28 -6.074 -10.558 -2.890 1.00 0.00 C ATOM 551 CD ARG A 28 -5.585 -10.403 -4.339 1.00 0.00 C ATOM 552 NE ARG A 28 -5.960 -11.581 -5.136 1.00 0.00 N ATOM 553 CZ ARG A 28 -5.315 -12.149 -6.162 1.00 0.00 C ATOM 554 NH1 ARG A 28 -4.194 -11.630 -6.659 1.00 0.00 N ATOM 555 NH2 ARG A 28 -5.817 -13.256 -6.688 1.00 0.00 N ATOM 0 H ARG A 28 -8.351 -10.215 -0.538 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.447 -9.639 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.235 -8.764 -2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.506 -8.529 -2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.337 -11.128 -2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.997 -11.138 -2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.016 -9.505 -4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.502 -10.277 -4.353 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.837 -12.029 -4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.805 -10.777 -6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.724 -12.085 -7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.676 -13.656 -6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.345 -13.708 -7.471 1.00 0.00 H new ATOM 569 N VAL A 29 -5.848 -7.174 0.230 1.00 0.00 N ATOM 570 CA VAL A 29 -6.017 -5.891 0.891 1.00 0.00 C ATOM 571 C VAL A 29 -5.497 -4.779 -0.009 1.00 0.00 C ATOM 572 O VAL A 29 -4.478 -4.973 -0.692 1.00 0.00 O ATOM 573 CB VAL A 29 -5.274 -5.889 2.243 1.00 0.00 C ATOM 574 CG1 VAL A 29 -6.135 -6.571 3.302 1.00 0.00 C ATOM 575 CG2 VAL A 29 -3.876 -6.540 2.205 1.00 0.00 C ATOM 0 H VAL A 29 -4.892 -7.337 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.076 -5.721 1.082 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.106 -4.841 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.608 -6.568 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.077 -6.033 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.335 -7.599 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.426 -6.495 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.968 -7.581 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.245 -6.005 1.496 1.00 0.00 H new ATOM 585 N PRO A 30 -6.191 -3.628 -0.061 1.00 0.00 N ATOM 586 CA PRO A 30 -5.756 -2.513 -0.867 1.00 0.00 C ATOM 587 C PRO A 30 -4.620 -1.817 -0.100 1.00 0.00 C ATOM 588 O PRO A 30 -4.774 -1.429 1.063 1.00 0.00 O ATOM 589 CB PRO A 30 -7.009 -1.656 -1.041 1.00 0.00 C ATOM 590 CG PRO A 30 -7.767 -1.856 0.271 1.00 0.00 C ATOM 591 CD PRO A 30 -7.407 -3.286 0.670 1.00 0.00 C ATOM 0 HA PRO A 30 -5.358 -2.764 -1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.758 -0.608 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.600 -1.979 -1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.456 -1.137 1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.842 -1.734 0.137 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.246 -3.360 1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.215 -3.973 0.421 1.00 0.00 H new ATOM 599 N VAL A 31 -3.483 -1.626 -0.763 1.00 0.00 N ATOM 600 CA VAL A 31 -2.307 -1.002 -0.178 1.00 0.00 C ATOM 601 C VAL A 31 -1.984 0.229 -1.005 1.00 0.00 C ATOM 602 O VAL A 31 -1.892 0.142 -2.232 1.00 0.00 O ATOM 603 CB VAL A 31 -1.143 -2.006 -0.109 1.00 0.00 C ATOM 604 CG1 VAL A 31 0.061 -1.365 0.595 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.555 -3.292 0.621 1.00 0.00 C ATOM 0 H VAL A 31 -3.354 -1.905 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.490 -0.693 0.851 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.867 -2.273 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.881 -2.082 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.380 -0.483 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.222 -1.074 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.710 -3.980 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.864 -3.050 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.385 -3.761 0.092 1.00 0.00 H new ATOM 615 N ILE A 32 -1.774 1.367 -0.349 1.00 0.00 N ATOM 616 CA ILE A 32 -1.476 2.624 -1.011 1.00 0.00 C ATOM 617 C ILE A 32 -0.020 2.973 -0.733 1.00 0.00 C ATOM 618 O ILE A 32 0.411 3.040 0.422 1.00 0.00 O ATOM 619 CB ILE A 32 -2.487 3.724 -0.630 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.931 3.179 -0.497 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.391 4.791 -1.735 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.935 4.243 -0.063 1.00 0.00 C ATOM 0 H ILE A 32 -1.807 1.438 0.668 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.592 2.531 -2.091 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.249 4.138 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.245 2.761 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.940 2.363 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.088 5.601 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.376 5.186 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.641 4.343 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.927 3.798 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.643 4.644 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.953 5.048 -0.798 1.00 0.00 H new ATOM 634 N VAL A 33 0.744 3.191 -1.800 1.00 0.00 N ATOM 635 CA VAL A 33 2.166 3.500 -1.748 1.00 0.00 C ATOM 636 C VAL A 33 2.418 5.007 -1.726 1.00 0.00 C ATOM 637 O VAL A 33 1.776 5.770 -2.451 1.00 0.00 O ATOM 638 CB VAL A 33 2.831 2.838 -2.975 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.328 3.147 -3.105 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.674 1.310 -2.932 1.00 0.00 C ATOM 0 H VAL A 33 0.378 3.156 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 33 2.597 3.110 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 33 2.314 3.263 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.727 2.649 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.470 4.223 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.852 2.788 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.151 0.870 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.144 0.921 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.615 1.053 -2.929 1.00 0.00 H new ATOM 650 N GLU A 34 3.427 5.417 -0.961 1.00 0.00 N ATOM 651 CA GLU A 34 3.888 6.782 -0.785 1.00 0.00 C ATOM 652 C GLU A 34 5.423 6.751 -0.816 1.00 0.00 C ATOM 653 O GLU A 34 6.049 5.793 -0.356 1.00 0.00 O ATOM 654 CB GLU A 34 3.302 7.342 0.522 1.00 0.00 C ATOM 655 CG GLU A 34 3.371 8.874 0.627 1.00 0.00 C ATOM 656 CD GLU A 34 4.614 9.428 1.333 1.00 0.00 C ATOM 657 OE1 GLU A 34 5.649 8.741 1.370 1.00 0.00 O ATOM 658 OE2 GLU A 34 4.541 10.601 1.776 1.00 0.00 O ATOM 0 H GLU A 34 3.978 4.756 -0.413 1.00 0.00 H new ATOM 0 HA GLU A 34 3.551 7.450 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.262 7.028 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.837 6.905 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.328 9.293 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.486 9.225 1.157 1.00 0.00 H new ATOM 665 N LYS A 35 6.024 7.721 -1.504 1.00 0.00 N ATOM 666 CA LYS A 35 7.468 7.862 -1.620 1.00 0.00 C ATOM 667 C LYS A 35 7.756 8.992 -0.635 1.00 0.00 C ATOM 668 O LYS A 35 7.259 10.107 -0.840 1.00 0.00 O ATOM 669 CB LYS A 35 7.840 8.122 -3.093 1.00 0.00 C ATOM 670 CG LYS A 35 9.337 8.102 -3.422 1.00 0.00 C ATOM 671 CD LYS A 35 10.021 9.254 -2.699 1.00 0.00 C ATOM 672 CE LYS A 35 11.142 9.929 -3.471 1.00 0.00 C ATOM 673 NZ LYS A 35 11.541 11.140 -2.730 1.00 0.00 N ATOM 0 H LYS A 35 5.507 8.443 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 35 8.072 6.989 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.343 7.374 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.438 9.093 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.777 7.152 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.487 8.191 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.269 10.004 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.423 8.883 -1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.990 9.253 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.810 10.189 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.557 11.314 -2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.999 11.955 -3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.349 11.006 -1.717 1.00 0.00 H new ATOM 687 N ALA A 36 8.655 8.747 0.310 1.00 0.00 N ATOM 688 CA ALA A 36 8.995 9.691 1.361 1.00 0.00 C ATOM 689 C ALA A 36 10.147 10.643 1.000 1.00 0.00 C ATOM 690 O ALA A 36 10.871 10.458 0.011 1.00 0.00 O ATOM 691 CB ALA A 36 9.300 8.854 2.615 1.00 0.00 C ATOM 0 H ALA A 36 9.176 7.872 0.366 1.00 0.00 H new ATOM 0 HA ALA A 36 8.156 10.366 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.563 9.517 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.420 8.270 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.133 8.182 2.410 1.00 0.00 H new ATOM 697 N PRO A 37 10.312 11.719 1.785 1.00 0.00 N ATOM 698 CA PRO A 37 11.345 12.716 1.569 1.00 0.00 C ATOM 699 C PRO A 37 12.734 12.104 1.758 1.00 0.00 C ATOM 700 O PRO A 37 12.915 11.141 2.503 1.00 0.00 O ATOM 701 CB PRO A 37 11.042 13.847 2.554 1.00 0.00 C ATOM 702 CG PRO A 37 10.258 13.150 3.665 1.00 0.00 C ATOM 703 CD PRO A 37 9.529 12.028 2.966 1.00 0.00 C ATOM 0 HA PRO A 37 11.347 13.103 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.956 14.305 2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.458 14.640 2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.922 12.769 4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.562 13.835 4.149 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.440 11.156 3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.517 12.329 2.696 1.00 0.00 H new ATOM 711 N LYS A 38 13.729 12.714 1.108 1.00 0.00 N ATOM 712 CA LYS A 38 15.147 12.341 1.088 1.00 0.00 C ATOM 713 C LYS A 38 15.415 10.996 0.402 1.00 0.00 C ATOM 714 O LYS A 38 16.578 10.703 0.113 1.00 0.00 O ATOM 715 CB LYS A 38 15.787 12.409 2.491 1.00 0.00 C ATOM 716 CG LYS A 38 15.819 13.835 3.058 1.00 0.00 C ATOM 717 CD LYS A 38 16.609 13.878 4.372 1.00 0.00 C ATOM 718 CE LYS A 38 16.778 15.322 4.850 1.00 0.00 C ATOM 719 NZ LYS A 38 17.595 15.393 6.075 1.00 0.00 N ATOM 0 H LYS A 38 13.552 13.543 0.540 1.00 0.00 H new ATOM 0 HA LYS A 38 15.638 13.093 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.231 11.764 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.804 12.019 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.273 14.510 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.802 14.187 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.091 13.295 5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.587 13.419 4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.247 15.914 4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.798 15.761 5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.690 16.385 6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.135 14.848 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.538 14.996 5.887 1.00 0.00 H new ATOM 733 N ALA A 39 14.391 10.217 0.048 1.00 0.00 N ATOM 734 CA ALA A 39 14.552 8.925 -0.595 1.00 0.00 C ATOM 735 C ALA A 39 15.238 9.042 -1.958 1.00 0.00 C ATOM 736 O ALA A 39 14.679 9.643 -2.880 1.00 0.00 O ATOM 737 CB ALA A 39 13.169 8.307 -0.788 1.00 0.00 C ATOM 0 H ALA A 39 13.417 10.475 0.205 1.00 0.00 H new ATOM 0 HA ALA A 39 15.182 8.303 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.269 7.335 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.687 8.183 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.562 8.962 -1.414 1.00 0.00 H new ATOM 743 N ARG A 40 16.380 8.379 -2.133 1.00 0.00 N ATOM 744 CA ARG A 40 17.170 8.369 -3.361 1.00 0.00 C ATOM 745 C ARG A 40 16.686 7.221 -4.252 1.00 0.00 C ATOM 746 O ARG A 40 17.475 6.459 -4.797 1.00 0.00 O ATOM 747 CB ARG A 40 18.653 8.308 -2.934 1.00 0.00 C ATOM 748 CG ARG A 40 19.702 8.761 -3.972 1.00 0.00 C ATOM 749 CD ARG A 40 20.092 7.718 -5.025 1.00 0.00 C ATOM 750 NE ARG A 40 20.472 6.434 -4.414 1.00 0.00 N ATOM 751 CZ ARG A 40 20.661 5.268 -5.039 1.00 0.00 C ATOM 752 NH1 ARG A 40 20.690 5.194 -6.368 1.00 0.00 N ATOM 753 NH2 ARG A 40 20.825 4.175 -4.308 1.00 0.00 N ATOM 0 H ARG A 40 16.796 7.812 -1.394 1.00 0.00 H new ATOM 0 HA ARG A 40 17.052 9.263 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.774 8.921 -2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.881 7.281 -2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 40 19.320 9.643 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.603 9.067 -3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 40 19.257 7.562 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 40 20.923 8.097 -5.620 1.00 0.00 H new ATOM 0 HE ARG A 40 20.606 6.434 -3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 40 20.567 6.037 -6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 40 20.836 4.294 -6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 40 20.805 4.235 -3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.971 3.274 -4.763 1.00 0.00 H new ATOM 767 N VAL A 41 15.375 7.050 -4.408 1.00 0.00 N ATOM 768 CA VAL A 41 14.822 5.972 -5.225 1.00 0.00 C ATOM 769 C VAL A 41 13.720 6.531 -6.135 1.00 0.00 C ATOM 770 O VAL A 41 13.101 7.539 -5.766 1.00 0.00 O ATOM 771 CB VAL A 41 14.320 4.834 -4.303 1.00 0.00 C ATOM 772 CG1 VAL A 41 15.394 4.339 -3.320 1.00 0.00 C ATOM 773 CG2 VAL A 41 13.093 5.244 -3.477 1.00 0.00 C ATOM 0 H VAL A 41 14.671 7.649 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 41 15.589 5.548 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 41 14.056 4.030 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 41 14.981 3.542 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.250 3.960 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 41 15.713 5.164 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.782 4.410 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.346 6.098 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.278 5.516 -4.147 1.00 0.00 H new ATOM 783 N PRO A 42 13.441 5.900 -7.291 1.00 0.00 N ATOM 784 CA PRO A 42 12.407 6.374 -8.195 1.00 0.00 C ATOM 785 C PRO A 42 11.004 6.136 -7.626 1.00 0.00 C ATOM 786 O PRO A 42 10.741 5.190 -6.868 1.00 0.00 O ATOM 787 CB PRO A 42 12.653 5.651 -9.523 1.00 0.00 C ATOM 788 CG PRO A 42 13.384 4.363 -9.143 1.00 0.00 C ATOM 789 CD PRO A 42 14.104 4.722 -7.839 1.00 0.00 C ATOM 0 HA PRO A 42 12.456 7.453 -8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.715 5.436 -10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.253 6.260 -10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.689 3.535 -9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 42 14.088 4.059 -9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 42 14.059 3.892 -7.134 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.159 4.926 -8.025 1.00 0.00 H new ATOM 797 N ASP A 43 10.095 7.020 -8.020 1.00 0.00 N ATOM 798 CA ASP A 43 8.685 7.071 -7.657 1.00 0.00 C ATOM 799 C ASP A 43 7.809 6.356 -8.686 1.00 0.00 C ATOM 800 O ASP A 43 8.277 6.021 -9.776 1.00 0.00 O ATOM 801 CB ASP A 43 8.225 8.508 -7.418 1.00 0.00 C ATOM 802 CG ASP A 43 8.642 9.479 -8.504 1.00 0.00 C ATOM 803 OD1 ASP A 43 9.833 9.862 -8.511 1.00 0.00 O ATOM 804 OD2 ASP A 43 7.774 9.904 -9.299 1.00 0.00 O ATOM 0 H ASP A 43 10.346 7.780 -8.652 1.00 0.00 H new ATOM 0 HA ASP A 43 8.570 6.533 -6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.139 8.521 -7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.625 8.852 -6.464 1.00 0.00 H new ATOM 809 N LEU A 44 6.549 6.081 -8.333 1.00 0.00 N ATOM 810 CA LEU A 44 5.571 5.388 -9.169 1.00 0.00 C ATOM 811 C LEU A 44 4.371 6.280 -9.472 1.00 0.00 C ATOM 812 O LEU A 44 3.948 7.073 -8.630 1.00 0.00 O ATOM 813 CB LEU A 44 5.054 4.157 -8.405 1.00 0.00 C ATOM 814 CG LEU A 44 6.105 3.047 -8.217 1.00 0.00 C ATOM 815 CD1 LEU A 44 5.955 2.402 -6.833 1.00 0.00 C ATOM 816 CD2 LEU A 44 5.993 1.990 -9.322 1.00 0.00 C ATOM 0 H LEU A 44 6.171 6.346 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 44 6.058 5.110 -10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.697 4.474 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.197 3.745 -8.938 1.00 0.00 H new ATOM 0 HG LEU A 44 7.095 3.498 -8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.704 1.619 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.095 3.159 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.959 1.969 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.747 1.218 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.001 1.539 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.152 2.460 -10.293 1.00 0.00 H new ATOM 828 N ASP A 45 3.788 6.111 -10.657 1.00 0.00 N ATOM 829 CA ASP A 45 2.611 6.836 -11.137 1.00 0.00 C ATOM 830 C ASP A 45 1.391 6.301 -10.388 1.00 0.00 C ATOM 831 O ASP A 45 0.516 7.049 -9.939 1.00 0.00 O ATOM 832 CB ASP A 45 2.359 6.552 -12.628 1.00 0.00 C ATOM 833 CG ASP A 45 3.208 7.338 -13.617 1.00 0.00 C ATOM 834 OD1 ASP A 45 3.634 8.474 -13.321 1.00 0.00 O ATOM 835 OD2 ASP A 45 3.355 6.844 -14.759 1.00 0.00 O ATOM 0 H ASP A 45 4.137 5.437 -11.338 1.00 0.00 H new ATOM 0 HA ASP A 45 2.774 7.902 -10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.522 5.489 -12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.309 6.754 -12.842 1.00 0.00 H new ATOM 840 N LYS A 46 1.306 4.971 -10.323 1.00 0.00 N ATOM 841 CA LYS A 46 0.255 4.207 -9.673 1.00 0.00 C ATOM 842 C LYS A 46 0.447 4.316 -8.170 1.00 0.00 C ATOM 843 O LYS A 46 1.559 4.114 -7.677 1.00 0.00 O ATOM 844 CB LYS A 46 0.357 2.751 -10.142 1.00 0.00 C ATOM 845 CG LYS A 46 -0.236 2.589 -11.552 1.00 0.00 C ATOM 846 CD LYS A 46 0.252 1.302 -12.230 1.00 0.00 C ATOM 847 CE LYS A 46 -0.415 1.069 -13.592 1.00 0.00 C ATOM 848 NZ LYS A 46 0.028 2.039 -14.608 1.00 0.00 N ATOM 0 H LYS A 46 2.012 4.370 -10.749 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.734 4.587 -9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.401 2.437 -10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.171 2.101 -9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.324 2.577 -11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.039 3.449 -12.163 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.333 1.351 -12.362 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.049 0.452 -11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.190 0.059 -13.935 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.497 1.134 -13.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.450 1.840 -15.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.209 3.002 -14.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.057 1.961 -14.737 1.00 0.00 H new ATOM 862 N ARG A 47 -0.622 4.640 -7.444 1.00 0.00 N ATOM 863 CA ARG A 47 -0.604 4.792 -5.989 1.00 0.00 C ATOM 864 C ARG A 47 -1.386 3.678 -5.311 1.00 0.00 C ATOM 865 O ARG A 47 -0.950 3.208 -4.263 1.00 0.00 O ATOM 866 CB ARG A 47 -1.214 6.152 -5.584 1.00 0.00 C ATOM 867 CG ARG A 47 -0.184 7.270 -5.364 1.00 0.00 C ATOM 868 CD ARG A 47 0.543 7.752 -6.627 1.00 0.00 C ATOM 869 NE ARG A 47 1.766 8.469 -6.256 1.00 0.00 N ATOM 870 CZ ARG A 47 1.964 9.772 -6.039 1.00 0.00 C ATOM 871 NH1 ARG A 47 1.038 10.687 -6.312 1.00 0.00 N ATOM 872 NH2 ARG A 47 3.123 10.169 -5.532 1.00 0.00 N ATOM 0 H ARG A 47 -1.540 4.807 -7.856 1.00 0.00 H new ATOM 0 HA ARG A 47 0.436 4.742 -5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.914 6.467 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.790 6.020 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.689 8.122 -4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.560 6.920 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.789 6.901 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.110 8.405 -7.206 1.00 0.00 H new ATOM 0 HE ARG A 47 2.593 7.883 -6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.139 10.403 -6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.227 11.673 -6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.846 9.483 -5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.292 11.160 -5.360 1.00 0.00 H new ATOM 886 N LYS A 48 -2.554 3.310 -5.842 1.00 0.00 N ATOM 887 CA LYS A 48 -3.425 2.283 -5.281 1.00 0.00 C ATOM 888 C LYS A 48 -3.039 0.891 -5.798 1.00 0.00 C ATOM 889 O LYS A 48 -3.042 0.664 -7.008 1.00 0.00 O ATOM 890 CB LYS A 48 -4.878 2.605 -5.683 1.00 0.00 C ATOM 891 CG LYS A 48 -5.460 3.987 -5.313 1.00 0.00 C ATOM 892 CD LYS A 48 -5.607 4.220 -3.800 1.00 0.00 C ATOM 893 CE LYS A 48 -6.663 5.278 -3.424 1.00 0.00 C ATOM 894 NZ LYS A 48 -6.403 6.640 -3.942 1.00 0.00 N ATOM 0 H LYS A 48 -2.926 3.730 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.321 2.277 -4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.955 2.493 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.520 1.846 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.818 4.763 -5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.437 4.096 -5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.868 3.276 -3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.642 4.526 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.634 4.946 -3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.734 5.327 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.165 7.279 -3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.494 6.985 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.366 6.615 -4.981 1.00 0.00 H new ATOM 908 N TYR A 49 -2.767 -0.061 -4.908 1.00 0.00 N ATOM 909 CA TYR A 49 -2.392 -1.440 -5.224 1.00 0.00 C ATOM 910 C TYR A 49 -3.257 -2.413 -4.419 1.00 0.00 C ATOM 911 O TYR A 49 -4.019 -1.984 -3.549 1.00 0.00 O ATOM 912 CB TYR A 49 -0.900 -1.679 -4.940 1.00 0.00 C ATOM 913 CG TYR A 49 0.043 -0.804 -5.742 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.319 0.501 -5.301 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.634 -1.282 -6.927 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.170 1.336 -6.042 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.503 -0.460 -7.666 1.00 0.00 C ATOM 918 CZ TYR A 49 1.772 0.852 -7.221 1.00 0.00 C ATOM 919 OH TYR A 49 2.642 1.633 -7.908 1.00 0.00 O ATOM 0 H TYR A 49 -2.803 0.114 -3.904 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.563 -1.613 -6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.714 -1.513 -3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.667 -2.724 -5.145 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.126 0.864 -4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.419 -2.283 -7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.363 2.345 -5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.963 -0.831 -8.570 1.00 0.00 H new ATOM 0 HH TYR A 49 2.366 2.571 -7.837 1.00 0.00 H new ATOM 929 N LEU A 50 -3.156 -3.715 -4.700 1.00 0.00 N ATOM 930 CA LEU A 50 -3.878 -4.812 -4.051 1.00 0.00 C ATOM 931 C LEU A 50 -2.934 -6.017 -3.947 1.00 0.00 C ATOM 932 O LEU A 50 -2.344 -6.397 -4.964 1.00 0.00 O ATOM 933 CB LEU A 50 -5.129 -5.175 -4.882 1.00 0.00 C ATOM 934 CG LEU A 50 -6.393 -4.395 -4.474 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.413 -4.325 -5.621 1.00 0.00 C ATOM 936 CD2 LEU A 50 -7.053 -5.029 -3.247 1.00 0.00 C ATOM 0 H LEU A 50 -2.530 -4.051 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.204 -4.516 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.921 -4.987 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.324 -6.243 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.075 -3.381 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.290 -3.767 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.963 -3.824 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.710 -5.334 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.943 -4.460 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.334 -6.057 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.352 -5.022 -2.412 1.00 0.00 H new ATOM 948 N VAL A 51 -2.784 -6.617 -2.759 1.00 0.00 N ATOM 949 CA VAL A 51 -1.917 -7.789 -2.514 1.00 0.00 C ATOM 950 C VAL A 51 -2.595 -8.748 -1.519 1.00 0.00 C ATOM 951 O VAL A 51 -3.446 -8.280 -0.761 1.00 0.00 O ATOM 952 CB VAL A 51 -0.533 -7.349 -1.983 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.295 -6.648 -3.064 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.609 -6.428 -0.760 1.00 0.00 C ATOM 0 H VAL A 51 -3.270 -6.299 -1.921 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.766 -8.310 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.048 -8.278 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.260 -6.355 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.451 -7.328 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.236 -5.761 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.399 -6.160 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.160 -5.524 -1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.120 -6.944 0.053 1.00 0.00 H new ATOM 964 N PRO A 52 -2.264 -10.055 -1.487 1.00 0.00 N ATOM 965 CA PRO A 52 -2.883 -11.002 -0.568 1.00 0.00 C ATOM 966 C PRO A 52 -2.285 -10.913 0.838 1.00 0.00 C ATOM 967 O PRO A 52 -1.155 -10.453 1.016 1.00 0.00 O ATOM 968 CB PRO A 52 -2.619 -12.376 -1.180 1.00 0.00 C ATOM 969 CG PRO A 52 -1.222 -12.189 -1.746 1.00 0.00 C ATOM 970 CD PRO A 52 -1.289 -10.762 -2.310 1.00 0.00 C ATOM 0 HA PRO A 52 -3.946 -10.796 -0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.657 -13.171 -0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.345 -12.628 -1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.455 -12.288 -0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.995 -12.922 -2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.314 -10.277 -2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.593 -10.769 -3.357 1.00 0.00 H new ATOM 978 N SER A 53 -3.009 -11.419 1.837 1.00 0.00 N ATOM 979 CA SER A 53 -2.562 -11.419 3.229 1.00 0.00 C ATOM 980 C SER A 53 -1.428 -12.426 3.475 1.00 0.00 C ATOM 981 O SER A 53 -0.657 -12.272 4.424 1.00 0.00 O ATOM 982 CB SER A 53 -3.756 -11.705 4.154 1.00 0.00 C ATOM 983 OG SER A 53 -4.710 -12.577 3.561 1.00 0.00 O ATOM 0 H SER A 53 -3.927 -11.843 1.702 1.00 0.00 H new ATOM 0 HA SER A 53 -2.158 -10.432 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.394 -12.146 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.242 -10.765 4.416 1.00 0.00 H new ATOM 0 HG SER A 53 -5.448 -12.729 4.188 1.00 0.00 H new ATOM 989 N ASP A 54 -1.302 -13.452 2.634 1.00 0.00 N ATOM 990 CA ASP A 54 -0.278 -14.498 2.743 1.00 0.00 C ATOM 991 C ASP A 54 1.082 -14.088 2.170 1.00 0.00 C ATOM 992 O ASP A 54 2.056 -14.822 2.340 1.00 0.00 O ATOM 993 CB ASP A 54 -0.763 -15.786 2.064 1.00 0.00 C ATOM 994 CG ASP A 54 -0.981 -15.631 0.559 1.00 0.00 C ATOM 995 OD1 ASP A 54 -0.007 -15.607 -0.222 1.00 0.00 O ATOM 996 OD2 ASP A 54 -2.162 -15.604 0.148 1.00 0.00 O ATOM 0 H ASP A 54 -1.924 -13.585 1.836 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.127 -14.667 3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.034 -16.577 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.696 -16.104 2.528 1.00 0.00 H new ATOM 1001 N LEU A 55 1.182 -12.939 1.498 1.00 0.00 N ATOM 1002 CA LEU A 55 2.435 -12.470 0.916 1.00 0.00 C ATOM 1003 C LEU A 55 3.433 -12.154 2.036 1.00 0.00 C ATOM 1004 O LEU A 55 3.131 -11.344 2.915 1.00 0.00 O ATOM 1005 CB LEU A 55 2.144 -11.224 0.055 1.00 0.00 C ATOM 1006 CG LEU A 55 3.392 -10.491 -0.474 1.00 0.00 C ATOM 1007 CD1 LEU A 55 4.242 -11.385 -1.384 1.00 0.00 C ATOM 1008 CD2 LEU A 55 2.958 -9.256 -1.273 1.00 0.00 C ATOM 0 H LEU A 55 0.394 -12.309 1.344 1.00 0.00 H new ATOM 0 HA LEU A 55 2.875 -13.239 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.530 -11.523 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.553 -10.524 0.645 1.00 0.00 H new ATOM 0 HG LEU A 55 3.994 -10.207 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.111 -10.827 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.574 -12.261 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.647 -11.703 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.840 -8.737 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.335 -9.566 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.390 -8.586 -0.628 1.00 0.00 H new ATOM 1020 N THR A 56 4.611 -12.781 2.037 1.00 0.00 N ATOM 1021 CA THR A 56 5.616 -12.499 3.055 1.00 0.00 C ATOM 1022 C THR A 56 6.214 -11.114 2.754 1.00 0.00 C ATOM 1023 O THR A 56 6.444 -10.747 1.599 1.00 0.00 O ATOM 1024 CB THR A 56 6.677 -13.605 3.147 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.081 -14.892 3.155 1.00 0.00 O ATOM 1026 CG2 THR A 56 7.474 -13.496 4.452 1.00 0.00 C ATOM 0 H THR A 56 4.888 -13.481 1.349 1.00 0.00 H new ATOM 0 HA THR A 56 5.154 -12.483 4.042 1.00 0.00 H new ATOM 0 HB THR A 56 7.322 -13.478 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.780 -15.576 3.212 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.218 -14.291 4.491 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.974 -12.528 4.493 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.797 -13.591 5.301 1.00 0.00 H new ATOM 1034 N VAL A 57 6.497 -10.338 3.798 1.00 0.00 N ATOM 1035 CA VAL A 57 7.055 -8.993 3.711 1.00 0.00 C ATOM 1036 C VAL A 57 8.394 -8.998 2.965 1.00 0.00 C ATOM 1037 O VAL A 57 8.639 -8.116 2.139 1.00 0.00 O ATOM 1038 CB VAL A 57 7.174 -8.427 5.135 1.00 0.00 C ATOM 1039 CG1 VAL A 57 7.807 -7.031 5.143 1.00 0.00 C ATOM 1040 CG2 VAL A 57 5.817 -8.349 5.845 1.00 0.00 C ATOM 0 H VAL A 57 6.338 -10.640 4.759 1.00 0.00 H new ATOM 0 HA VAL A 57 6.396 -8.347 3.132 1.00 0.00 H new ATOM 0 HB VAL A 57 7.818 -9.123 5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.873 -6.667 6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.807 -7.082 4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.192 -6.349 4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.954 -7.943 6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.147 -7.701 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.384 -9.347 5.914 1.00 0.00 H new ATOM 1050 N GLY A 58 9.250 -9.999 3.190 1.00 0.00 N ATOM 1051 CA GLY A 58 10.540 -10.101 2.523 1.00 0.00 C ATOM 1052 C GLY A 58 10.371 -10.156 1.005 1.00 0.00 C ATOM 1053 O GLY A 58 11.206 -9.607 0.278 1.00 0.00 O ATOM 0 H GLY A 58 9.062 -10.760 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.161 -9.246 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.061 -10.995 2.867 1.00 0.00 H new ATOM 1057 N GLN A 59 9.299 -10.797 0.527 1.00 0.00 N ATOM 1058 CA GLN A 59 9.002 -10.894 -0.892 1.00 0.00 C ATOM 1059 C GLN A 59 8.606 -9.508 -1.394 1.00 0.00 C ATOM 1060 O GLN A 59 9.145 -9.055 -2.400 1.00 0.00 O ATOM 1061 CB GLN A 59 7.908 -11.945 -1.171 1.00 0.00 C ATOM 1062 CG GLN A 59 8.461 -13.219 -1.816 1.00 0.00 C ATOM 1063 CD GLN A 59 8.895 -12.977 -3.261 1.00 0.00 C ATOM 1064 OE1 GLN A 59 9.852 -12.253 -3.530 1.00 0.00 O ATOM 1065 NE2 GLN A 59 8.245 -13.593 -4.227 1.00 0.00 N ATOM 0 H GLN A 59 8.614 -11.263 1.123 1.00 0.00 H new ATOM 0 HA GLN A 59 9.886 -11.233 -1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.411 -12.203 -0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.152 -11.511 -1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.310 -13.581 -1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.701 -14.000 -1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.451 -14.194 -4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.536 -13.469 -5.197 1.00 0.00 H new ATOM 1074 N PHE A 60 7.738 -8.785 -0.667 1.00 0.00 N ATOM 1075 CA PHE A 60 7.314 -7.438 -1.058 1.00 0.00 C ATOM 1076 C PHE A 60 8.551 -6.538 -1.173 1.00 0.00 C ATOM 1077 O PHE A 60 8.700 -5.818 -2.166 1.00 0.00 O ATOM 1078 CB PHE A 60 6.286 -6.892 -0.049 1.00 0.00 C ATOM 1079 CG PHE A 60 6.089 -5.387 -0.069 1.00 0.00 C ATOM 1080 CD1 PHE A 60 5.341 -4.781 -1.093 1.00 0.00 C ATOM 1081 CD2 PHE A 60 6.669 -4.581 0.928 1.00 0.00 C ATOM 1082 CE1 PHE A 60 5.188 -3.384 -1.137 1.00 0.00 C ATOM 1083 CE2 PHE A 60 6.512 -3.184 0.891 1.00 0.00 C ATOM 1084 CZ PHE A 60 5.781 -2.582 -0.149 1.00 0.00 C ATOM 0 H PHE A 60 7.316 -9.117 0.200 1.00 0.00 H new ATOM 0 HA PHE A 60 6.822 -7.463 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.325 -7.370 -0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.594 -7.188 0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.880 -5.394 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.237 -5.037 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.615 -2.928 -1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.954 -2.572 1.663 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.676 -1.508 -0.187 1.00 0.00 H new ATOM 1094 N TYR A 61 9.481 -6.624 -0.215 1.00 0.00 N ATOM 1095 CA TYR A 61 10.704 -5.832 -0.241 1.00 0.00 C ATOM 1096 C TYR A 61 11.481 -6.149 -1.527 1.00 0.00 C ATOM 1097 O TYR A 61 11.941 -5.238 -2.214 1.00 0.00 O ATOM 1098 CB TYR A 61 11.590 -6.168 0.975 1.00 0.00 C ATOM 1099 CG TYR A 61 11.448 -5.333 2.233 1.00 0.00 C ATOM 1100 CD1 TYR A 61 10.206 -5.175 2.875 1.00 0.00 C ATOM 1101 CD2 TYR A 61 12.605 -4.783 2.818 1.00 0.00 C ATOM 1102 CE1 TYR A 61 10.120 -4.464 4.087 1.00 0.00 C ATOM 1103 CE2 TYR A 61 12.533 -4.073 4.025 1.00 0.00 C ATOM 1104 CZ TYR A 61 11.289 -3.917 4.667 1.00 0.00 C ATOM 1105 OH TYR A 61 11.234 -3.235 5.840 1.00 0.00 O ATOM 0 H TYR A 61 9.403 -7.242 0.593 1.00 0.00 H new ATOM 0 HA TYR A 61 10.440 -4.775 -0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.401 -7.207 1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.630 -6.107 0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.316 -5.601 2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.560 -4.910 2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.164 -4.336 4.573 1.00 0.00 H new ATOM 0 HE2 TYR A 61 13.426 -3.648 4.460 1.00 0.00 H new ATOM 0 HH TYR A 61 12.134 -2.934 6.086 1.00 0.00 H new ATOM 1115 N PHE A 62 11.637 -7.437 -1.869 1.00 0.00 N ATOM 1116 CA PHE A 62 12.357 -7.848 -3.066 1.00 0.00 C ATOM 1117 C PHE A 62 11.661 -7.389 -4.343 1.00 0.00 C ATOM 1118 O PHE A 62 12.352 -6.915 -5.241 1.00 0.00 O ATOM 1119 CB PHE A 62 12.591 -9.367 -3.108 1.00 0.00 C ATOM 1120 CG PHE A 62 13.870 -9.839 -2.443 1.00 0.00 C ATOM 1121 CD1 PHE A 62 15.111 -9.270 -2.799 1.00 0.00 C ATOM 1122 CD2 PHE A 62 13.835 -10.903 -1.522 1.00 0.00 C ATOM 1123 CE1 PHE A 62 16.302 -9.748 -2.225 1.00 0.00 C ATOM 1124 CE2 PHE A 62 15.027 -11.380 -0.951 1.00 0.00 C ATOM 1125 CZ PHE A 62 16.261 -10.807 -1.303 1.00 0.00 C ATOM 0 H PHE A 62 11.266 -8.213 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 62 13.328 -7.356 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.746 -9.863 -2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.601 -9.689 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.146 -8.463 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.891 -11.353 -1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 62 17.248 -9.301 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.995 -12.191 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 62 17.175 -11.180 -0.866 1.00 0.00 H new ATOM 1135 N LEU A 63 10.331 -7.497 -4.456 1.00 0.00 N ATOM 1136 CA LEU A 63 9.626 -7.069 -5.665 1.00 0.00 C ATOM 1137 C LEU A 63 9.891 -5.592 -5.928 1.00 0.00 C ATOM 1138 O LEU A 63 10.239 -5.231 -7.053 1.00 0.00 O ATOM 1139 CB LEU A 63 8.108 -7.343 -5.607 1.00 0.00 C ATOM 1140 CG LEU A 63 7.633 -8.700 -6.171 1.00 0.00 C ATOM 1141 CD1 LEU A 63 8.152 -8.984 -7.589 1.00 0.00 C ATOM 1142 CD2 LEU A 63 7.972 -9.872 -5.250 1.00 0.00 C ATOM 0 H LEU A 63 9.726 -7.876 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 63 10.017 -7.665 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.788 -7.274 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.596 -6.549 -6.151 1.00 0.00 H new ATOM 0 HG LEU A 63 6.548 -8.609 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.781 -9.952 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.801 -8.206 -8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.242 -8.995 -7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.615 -10.800 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.052 -9.927 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.491 -9.726 -4.283 1.00 0.00 H new ATOM 1154 N ILE A 64 9.768 -4.741 -4.905 1.00 0.00 N ATOM 1155 CA ILE A 64 10.018 -3.316 -5.085 1.00 0.00 C ATOM 1156 C ILE A 64 11.496 -3.129 -5.445 1.00 0.00 C ATOM 1157 O ILE A 64 11.770 -2.420 -6.412 1.00 0.00 O ATOM 1158 CB ILE A 64 9.532 -2.493 -3.869 1.00 0.00 C ATOM 1159 CG1 ILE A 64 8.003 -2.242 -3.875 1.00 0.00 C ATOM 1160 CG2 ILE A 64 10.192 -1.097 -3.852 1.00 0.00 C ATOM 1161 CD1 ILE A 64 7.088 -3.460 -4.042 1.00 0.00 C ATOM 0 H ILE A 64 9.501 -5.013 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 64 9.431 -2.919 -5.913 1.00 0.00 H new ATOM 0 HB ILE A 64 9.806 -3.089 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.739 -1.749 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.780 -1.541 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.835 -0.536 -2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 64 11.275 -1.207 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.933 -0.561 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.047 -3.138 -4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.304 -3.949 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.262 -4.160 -3.225 1.00 0.00 H new ATOM 1173 N ARG A 65 12.450 -3.755 -4.731 1.00 0.00 N ATOM 1174 CA ARG A 65 13.882 -3.612 -5.045 1.00 0.00 C ATOM 1175 C ARG A 65 14.148 -3.966 -6.506 1.00 0.00 C ATOM 1176 O ARG A 65 14.849 -3.226 -7.196 1.00 0.00 O ATOM 1177 CB ARG A 65 14.780 -4.432 -4.100 1.00 0.00 C ATOM 1178 CG ARG A 65 14.934 -3.696 -2.765 1.00 0.00 C ATOM 1179 CD ARG A 65 16.038 -4.238 -1.853 1.00 0.00 C ATOM 1180 NE ARG A 65 15.602 -5.334 -0.971 1.00 0.00 N ATOM 1181 CZ ARG A 65 16.054 -5.504 0.281 1.00 0.00 C ATOM 1182 NH1 ARG A 65 17.057 -4.774 0.763 1.00 0.00 N ATOM 1183 NH2 ARG A 65 15.507 -6.415 1.070 1.00 0.00 N ATOM 0 H ARG A 65 12.255 -4.363 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 65 14.143 -2.566 -4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.346 -5.418 -3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.758 -4.587 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.134 -2.644 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.986 -3.742 -2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.865 -4.589 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 65 16.422 -3.423 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 65 14.919 -6.000 -1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.500 -4.066 0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 65 17.383 -4.922 1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.739 -6.991 0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.854 -6.541 2.021 1.00 0.00 H new ATOM 1197 N LYS A 66 13.570 -5.066 -6.989 1.00 0.00 N ATOM 1198 CA LYS A 66 13.714 -5.520 -8.364 1.00 0.00 C ATOM 1199 C LYS A 66 13.147 -4.458 -9.300 1.00 0.00 C ATOM 1200 O LYS A 66 13.803 -4.117 -10.280 1.00 0.00 O ATOM 1201 CB LYS A 66 13.020 -6.883 -8.517 1.00 0.00 C ATOM 1202 CG LYS A 66 13.247 -7.505 -9.902 1.00 0.00 C ATOM 1203 CD LYS A 66 12.656 -8.918 -10.008 1.00 0.00 C ATOM 1204 CE LYS A 66 11.127 -8.915 -9.922 1.00 0.00 C ATOM 1205 NZ LYS A 66 10.551 -10.197 -10.375 1.00 0.00 N ATOM 0 H LYS A 66 12.979 -5.674 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 66 14.763 -5.658 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.391 -7.564 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.950 -6.764 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.797 -6.867 -10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.316 -7.544 -10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.964 -9.369 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.062 -9.540 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.821 -8.722 -8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.730 -8.103 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.514 -10.157 -10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.822 -10.369 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.910 -10.969 -9.778 1.00 0.00 H new ATOM 1219 N ARG A 67 11.968 -3.903 -9.000 1.00 0.00 N ATOM 1220 CA ARG A 67 11.353 -2.877 -9.836 1.00 0.00 C ATOM 1221 C ARG A 67 12.200 -1.615 -9.933 1.00 0.00 C ATOM 1222 O ARG A 67 12.323 -1.078 -11.028 1.00 0.00 O ATOM 1223 CB ARG A 67 9.914 -2.572 -9.391 1.00 0.00 C ATOM 1224 CG ARG A 67 8.887 -3.639 -9.817 1.00 0.00 C ATOM 1225 CD ARG A 67 8.445 -3.526 -11.286 1.00 0.00 C ATOM 1226 NE ARG A 67 9.496 -3.940 -12.233 1.00 0.00 N ATOM 1227 CZ ARG A 67 10.210 -3.166 -13.062 1.00 0.00 C ATOM 1228 NH1 ARG A 67 9.990 -1.863 -13.167 1.00 0.00 N ATOM 1229 NH2 ARG A 67 11.192 -3.706 -13.769 1.00 0.00 N ATOM 0 H ARG A 67 11.420 -4.153 -8.177 1.00 0.00 H new ATOM 0 HA ARG A 67 11.301 -3.286 -10.845 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.893 -2.475 -8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.614 -1.608 -9.803 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.315 -4.628 -9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.009 -3.560 -9.176 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.559 -4.141 -11.442 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.159 -2.495 -11.496 1.00 0.00 H new ATOM 0 HE ARG A 67 9.706 -4.938 -12.261 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.260 -1.422 -12.607 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.551 -1.301 -13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.398 -4.701 -13.679 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.742 -3.127 -14.403 1.00 0.00 H new ATOM 1243 N ILE A 68 12.794 -1.141 -8.836 1.00 0.00 N ATOM 1244 CA ILE A 68 13.641 0.048 -8.882 1.00 0.00 C ATOM 1245 C ILE A 68 15.042 -0.320 -9.400 1.00 0.00 C ATOM 1246 O ILE A 68 15.897 0.552 -9.534 1.00 0.00 O ATOM 1247 CB ILE A 68 13.650 0.777 -7.520 1.00 0.00 C ATOM 1248 CG1 ILE A 68 14.239 -0.067 -6.375 1.00 0.00 C ATOM 1249 CG2 ILE A 68 12.221 1.227 -7.167 1.00 0.00 C ATOM 1250 CD1 ILE A 68 14.371 0.700 -5.057 1.00 0.00 C ATOM 0 H ILE A 68 12.704 -1.561 -7.911 1.00 0.00 H new ATOM 0 HA ILE A 68 13.226 0.764 -9.592 1.00 0.00 H new ATOM 0 HB ILE A 68 14.305 1.641 -7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.607 -0.941 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.221 -0.434 -6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 68 12.228 1.741 -6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.852 1.904 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.569 0.355 -7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.792 0.044 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.027 1.559 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.388 1.044 -4.736 1.00 0.00 H new ATOM 1262 N HIS A 69 15.292 -1.602 -9.701 1.00 0.00 N ATOM 1263 CA HIS A 69 16.523 -2.202 -10.208 1.00 0.00 C ATOM 1264 C HIS A 69 17.736 -2.057 -9.278 1.00 0.00 C ATOM 1265 O HIS A 69 18.811 -2.554 -9.615 1.00 0.00 O ATOM 1266 CB HIS A 69 16.830 -1.669 -11.614 1.00 0.00 C ATOM 1267 CG HIS A 69 15.720 -1.823 -12.621 1.00 0.00 C ATOM 1268 ND1 HIS A 69 15.564 -2.887 -13.476 1.00 0.00 N ATOM 1269 CD2 HIS A 69 14.745 -0.904 -12.908 1.00 0.00 C ATOM 1270 CE1 HIS A 69 14.509 -2.628 -14.262 1.00 0.00 C ATOM 1271 NE2 HIS A 69 13.989 -1.418 -13.977 1.00 0.00 N ATOM 0 H HIS A 69 14.565 -2.308 -9.582 1.00 0.00 H new ATOM 0 HA HIS A 69 16.338 -3.275 -10.254 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.082 -0.612 -11.536 1.00 0.00 H new ATOM 0 HB3 HIS A 69 17.715 -2.181 -11.993 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.586 0.039 -12.407 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.128 -3.297 -15.019 1.00 0.00 H new ATOM 0 HE2 HIS A 69 13.203 -0.965 -14.444 1.00 0.00 H new ATOM 1279 N LEU A 70 17.595 -1.421 -8.115 1.00 0.00 N ATOM 1280 CA LEU A 70 18.676 -1.210 -7.159 1.00 0.00 C ATOM 1281 C LEU A 70 19.216 -2.526 -6.608 1.00 0.00 C ATOM 1282 O LEU A 70 18.554 -3.570 -6.674 1.00 0.00 O ATOM 1283 CB LEU A 70 18.250 -0.285 -6.016 1.00 0.00 C ATOM 1284 CG LEU A 70 17.750 1.112 -6.427 1.00 0.00 C ATOM 1285 CD1 LEU A 70 17.624 1.989 -5.179 1.00 0.00 C ATOM 1286 CD2 LEU A 70 18.691 1.828 -7.396 1.00 0.00 C ATOM 0 H LEU A 70 16.705 -1.030 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 70 19.482 -0.722 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.460 -0.780 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.097 -0.162 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 70 16.793 0.963 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.270 2.980 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.915 1.536 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.597 2.077 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.281 2.806 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.668 1.953 -6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 70 18.796 1.236 -8.305 1.00 0.00 H new ATOM 1298 N ARG A 71 20.464 -2.491 -6.144 1.00 0.00 N ATOM 1299 CA ARG A 71 21.154 -3.656 -5.581 1.00 0.00 C ATOM 1300 C ARG A 71 20.517 -4.011 -4.234 1.00 0.00 C ATOM 1301 O ARG A 71 19.849 -3.159 -3.638 1.00 0.00 O ATOM 1302 CB ARG A 71 22.673 -3.382 -5.524 1.00 0.00 C ATOM 1303 CG ARG A 71 23.162 -2.591 -4.303 1.00 0.00 C ATOM 1304 CD ARG A 71 24.443 -1.781 -4.533 1.00 0.00 C ATOM 1305 NE ARG A 71 24.220 -0.648 -5.447 1.00 0.00 N ATOM 1306 CZ ARG A 71 25.143 0.231 -5.852 1.00 0.00 C ATOM 1307 NH1 ARG A 71 26.335 0.249 -5.271 1.00 0.00 N ATOM 1308 NH2 ARG A 71 24.870 1.084 -6.830 1.00 0.00 N ATOM 0 H ARG A 71 21.033 -1.645 -6.147 1.00 0.00 H new ATOM 0 HA ARG A 71 21.039 -4.536 -6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 71 23.197 -4.338 -5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 71 22.959 -2.838 -6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 71 22.371 -1.911 -3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 71 23.331 -3.287 -3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 71 24.814 -1.409 -3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 71 25.215 -2.432 -4.943 1.00 0.00 H new ATOM 0 HE ARG A 71 23.273 -0.522 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 71 26.545 -0.406 -4.518 1.00 0.00 H new ATOM 0 HH12 ARG A 71 27.042 0.918 -5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 71 23.953 1.071 -7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.577 1.753 -7.136 1.00 0.00 H new ATOM 1322 N PRO A 72 20.721 -5.219 -3.687 1.00 0.00 N ATOM 1323 CA PRO A 72 20.111 -5.569 -2.412 1.00 0.00 C ATOM 1324 C PRO A 72 20.703 -4.728 -1.282 1.00 0.00 C ATOM 1325 O PRO A 72 20.010 -4.484 -0.291 1.00 0.00 O ATOM 1326 CB PRO A 72 20.362 -7.063 -2.227 1.00 0.00 C ATOM 1327 CG PRO A 72 21.643 -7.288 -3.022 1.00 0.00 C ATOM 1328 CD PRO A 72 21.476 -6.343 -4.214 1.00 0.00 C ATOM 0 HA PRO A 72 19.041 -5.362 -2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 72 20.486 -7.326 -1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 72 19.537 -7.663 -2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.530 -7.046 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 72 21.744 -8.326 -3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 72 22.442 -6.023 -4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 72 20.945 -6.828 -5.033 1.00 0.00 H new ATOM 1336 N GLU A 73 21.947 -4.265 -1.435 1.00 0.00 N ATOM 1337 CA GLU A 73 22.642 -3.446 -0.455 1.00 0.00 C ATOM 1338 C GLU A 73 22.282 -1.961 -0.568 1.00 0.00 C ATOM 1339 O GLU A 73 22.714 -1.176 0.270 1.00 0.00 O ATOM 1340 CB GLU A 73 24.160 -3.642 -0.596 1.00 0.00 C ATOM 1341 CG GLU A 73 24.876 -3.456 0.750 1.00 0.00 C ATOM 1342 CD GLU A 73 24.823 -4.732 1.588 1.00 0.00 C ATOM 1343 OE1 GLU A 73 23.707 -5.158 1.976 1.00 0.00 O ATOM 1344 OE2 GLU A 73 25.898 -5.323 1.849 1.00 0.00 O ATOM 0 H GLU A 73 22.506 -4.458 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 73 22.319 -3.774 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.365 -4.640 -0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.555 -2.930 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 73 25.915 -3.176 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 73 24.413 -2.637 1.301 1.00 0.00 H new ATOM 1351 N ASP A 74 21.558 -1.533 -1.609 1.00 0.00 N ATOM 1352 CA ASP A 74 21.183 -0.122 -1.733 1.00 0.00 C ATOM 1353 C ASP A 74 20.239 0.135 -0.563 1.00 0.00 C ATOM 1354 O ASP A 74 19.368 -0.699 -0.274 1.00 0.00 O ATOM 1355 CB ASP A 74 20.507 0.202 -3.075 1.00 0.00 C ATOM 1356 CG ASP A 74 21.471 0.709 -4.152 1.00 0.00 C ATOM 1357 OD1 ASP A 74 22.121 1.757 -3.954 1.00 0.00 O ATOM 1358 OD2 ASP A 74 21.559 0.107 -5.248 1.00 0.00 O ATOM 0 H ASP A 74 21.226 -2.132 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 74 22.064 0.519 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.006 -0.693 -3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.736 0.954 -2.909 1.00 0.00 H new ATOM 1363 N ALA A 75 20.455 1.235 0.152 1.00 0.00 N ATOM 1364 CA ALA A 75 19.654 1.607 1.302 1.00 0.00 C ATOM 1365 C ALA A 75 18.206 1.824 0.866 1.00 0.00 C ATOM 1366 O ALA A 75 17.947 2.569 -0.084 1.00 0.00 O ATOM 1367 CB ALA A 75 20.274 2.843 1.940 1.00 0.00 C ATOM 0 H ALA A 75 21.201 1.898 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 75 19.641 0.815 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.685 3.139 2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.294 2.618 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 75 20.288 3.658 1.216 1.00 0.00 H new ATOM 1373 N LEU A 76 17.278 1.122 1.516 1.00 0.00 N ATOM 1374 CA LEU A 76 15.847 1.175 1.266 1.00 0.00 C ATOM 1375 C LEU A 76 15.167 0.586 2.496 1.00 0.00 C ATOM 1376 O LEU A 76 15.571 -0.490 2.942 1.00 0.00 O ATOM 1377 CB LEU A 76 15.510 0.353 0.011 1.00 0.00 C ATOM 1378 CG LEU A 76 14.001 0.224 -0.268 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.337 1.555 -0.625 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.795 -0.755 -1.419 1.00 0.00 C ATOM 0 H LEU A 76 17.520 0.473 2.265 1.00 0.00 H new ATOM 0 HA LEU A 76 15.507 2.196 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.990 0.814 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.936 -0.645 0.118 1.00 0.00 H new ATOM 0 HG LEU A 76 13.534 -0.131 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.275 1.394 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.460 2.256 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.803 1.965 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.729 -0.855 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.304 -0.383 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.204 -1.728 -1.147 1.00 0.00 H new ATOM 1392 N PHE A 77 14.135 1.240 3.020 1.00 0.00 N ATOM 1393 CA PHE A 77 13.367 0.837 4.194 1.00 0.00 C ATOM 1394 C PHE A 77 11.896 1.139 3.907 1.00 0.00 C ATOM 1395 O PHE A 77 11.606 2.087 3.170 1.00 0.00 O ATOM 1396 CB PHE A 77 13.886 1.605 5.424 1.00 0.00 C ATOM 1397 CG PHE A 77 15.360 1.351 5.702 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.749 0.282 6.530 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.347 2.106 5.035 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.108 -0.056 6.653 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.702 1.746 5.133 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.083 0.655 5.932 1.00 0.00 C ATOM 0 H PHE A 77 13.794 2.112 2.616 1.00 0.00 H new ATOM 0 HA PHE A 77 13.475 -0.227 4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.729 2.673 5.272 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.302 1.318 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.002 -0.280 7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.060 2.965 4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.404 -0.865 7.304 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.450 2.308 4.594 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.121 0.364 5.992 1.00 0.00 H new ATOM 1412 N PHE A 78 10.965 0.370 4.484 1.00 0.00 N ATOM 1413 CA PHE A 78 9.527 0.549 4.278 1.00 0.00 C ATOM 1414 C PHE A 78 8.818 0.639 5.621 1.00 0.00 C ATOM 1415 O PHE A 78 9.017 -0.251 6.457 1.00 0.00 O ATOM 1416 CB PHE A 78 8.945 -0.669 3.547 1.00 0.00 C ATOM 1417 CG PHE A 78 9.518 -0.973 2.178 1.00 0.00 C ATOM 1418 CD1 PHE A 78 10.745 -1.650 2.056 1.00 0.00 C ATOM 1419 CD2 PHE A 78 8.793 -0.637 1.022 1.00 0.00 C ATOM 1420 CE1 PHE A 78 11.234 -2.020 0.795 1.00 0.00 C ATOM 1421 CE2 PHE A 78 9.279 -1.006 -0.242 1.00 0.00 C ATOM 1422 CZ PHE A 78 10.494 -1.706 -0.354 1.00 0.00 C ATOM 0 H PHE A 78 11.193 -0.400 5.112 1.00 0.00 H new ATOM 0 HA PHE A 78 9.381 1.459 3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.087 -1.546 4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.870 -0.522 3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.316 -1.887 2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.863 -0.095 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.175 -2.544 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.719 -0.752 -1.130 1.00 0.00 H new ATOM 0 HZ PHE A 78 10.858 -2.002 -1.327 1.00 0.00 H new ATOM 1432 N PHE A 79 7.927 1.610 5.799 1.00 0.00 N ATOM 1433 CA PHE A 79 7.171 1.808 7.032 1.00 0.00 C ATOM 1434 C PHE A 79 5.679 1.802 6.721 1.00 0.00 C ATOM 1435 O PHE A 79 5.264 2.084 5.596 1.00 0.00 O ATOM 1436 CB PHE A 79 7.596 3.111 7.728 1.00 0.00 C ATOM 1437 CG PHE A 79 9.091 3.289 7.942 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.914 2.205 8.311 1.00 0.00 C ATOM 1439 CD2 PHE A 79 9.673 4.554 7.742 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.304 2.375 8.426 1.00 0.00 C ATOM 1441 CE2 PHE A 79 11.061 4.725 7.863 1.00 0.00 C ATOM 1442 CZ PHE A 79 11.878 3.633 8.200 1.00 0.00 C ATOM 0 H PHE A 79 7.706 2.295 5.076 1.00 0.00 H new ATOM 0 HA PHE A 79 7.384 0.990 7.720 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.230 3.952 7.139 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.101 3.161 8.698 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.473 1.239 8.506 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.048 5.399 7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 79 11.930 1.535 8.689 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.501 5.697 7.697 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.947 3.763 8.285 1.00 0.00 H new ATOM 1452 N VAL A 80 4.871 1.485 7.726 1.00 0.00 N ATOM 1453 CA VAL A 80 3.418 1.421 7.650 1.00 0.00 C ATOM 1454 C VAL A 80 2.903 2.066 8.921 1.00 0.00 C ATOM 1455 O VAL A 80 3.353 1.679 9.992 1.00 0.00 O ATOM 1456 CB VAL A 80 2.936 -0.041 7.479 1.00 0.00 C ATOM 1457 CG1 VAL A 80 3.697 -1.073 8.329 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.434 -0.223 7.773 1.00 0.00 C ATOM 0 H VAL A 80 5.226 1.256 8.654 1.00 0.00 H new ATOM 0 HA VAL A 80 3.031 1.950 6.779 1.00 0.00 H new ATOM 0 HB VAL A 80 3.144 -0.232 6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.291 -2.067 8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.753 -1.057 8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.587 -0.827 9.385 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.160 -1.269 7.635 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.226 0.074 8.801 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.852 0.397 7.091 1.00 0.00 H new ATOM 1468 N ASN A 81 1.986 3.031 8.800 1.00 0.00 N ATOM 1469 CA ASN A 81 1.358 3.771 9.899 1.00 0.00 C ATOM 1470 C ASN A 81 2.320 3.992 11.084 1.00 0.00 C ATOM 1471 O ASN A 81 2.029 3.628 12.223 1.00 0.00 O ATOM 1472 CB ASN A 81 0.046 3.061 10.283 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.728 3.843 11.334 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.791 5.069 11.278 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.345 3.183 12.290 1.00 0.00 N ATOM 0 H ASN A 81 1.645 3.332 7.887 1.00 0.00 H new ATOM 0 HA ASN A 81 1.112 4.781 9.570 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.573 2.934 9.395 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.269 2.064 10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.882 3.689 12.994 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.286 2.165 12.327 1.00 0.00 H new ATOM 1482 N ASN A 82 3.472 4.604 10.788 1.00 0.00 N ATOM 1483 CA ASN A 82 4.570 4.924 11.703 1.00 0.00 C ATOM 1484 C ASN A 82 5.001 3.719 12.550 1.00 0.00 C ATOM 1485 O ASN A 82 5.169 3.820 13.767 1.00 0.00 O ATOM 1486 CB ASN A 82 4.293 6.199 12.521 1.00 0.00 C ATOM 1487 CG ASN A 82 4.474 7.443 11.667 1.00 0.00 C ATOM 1488 OD1 ASN A 82 5.539 8.053 11.667 1.00 0.00 O ATOM 1489 ND2 ASN A 82 3.454 7.868 10.941 1.00 0.00 N ATOM 0 H ASN A 82 3.674 4.909 9.836 1.00 0.00 H new ATOM 0 HA ASN A 82 5.439 5.159 11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.277 6.169 12.916 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.967 6.240 13.377 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.548 8.710 10.374 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.573 7.353 10.948 1.00 0.00 H new ATOM 1496 N THR A 83 5.223 2.584 11.892 1.00 0.00 N ATOM 1497 CA THR A 83 5.659 1.323 12.469 1.00 0.00 C ATOM 1498 C THR A 83 6.735 0.761 11.539 1.00 0.00 C ATOM 1499 O THR A 83 6.676 0.947 10.315 1.00 0.00 O ATOM 1500 CB THR A 83 4.470 0.347 12.621 1.00 0.00 C ATOM 1501 OG1 THR A 83 3.395 0.977 13.283 1.00 0.00 O ATOM 1502 CG2 THR A 83 4.834 -0.900 13.434 1.00 0.00 C ATOM 0 H THR A 83 5.095 2.520 10.882 1.00 0.00 H new ATOM 0 HA THR A 83 6.063 1.468 13.471 1.00 0.00 H new ATOM 0 HB THR A 83 4.195 0.050 11.609 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.952 1.599 12.669 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.963 -1.552 13.510 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.645 -1.434 12.938 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.153 -0.603 14.433 1.00 0.00 H new ATOM 1510 N ILE A 84 7.698 0.039 12.114 1.00 0.00 N ATOM 1511 CA ILE A 84 8.815 -0.603 11.426 1.00 0.00 C ATOM 1512 C ILE A 84 8.614 -2.098 11.736 1.00 0.00 C ATOM 1513 O ILE A 84 9.230 -2.620 12.670 1.00 0.00 O ATOM 1514 CB ILE A 84 10.159 0.012 11.905 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.084 1.559 11.902 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.318 -0.507 11.039 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.402 2.269 12.201 1.00 0.00 C ATOM 0 H ILE A 84 7.720 -0.121 13.121 1.00 0.00 H new ATOM 0 HA ILE A 84 8.848 -0.454 10.347 1.00 0.00 H new ATOM 0 HB ILE A 84 10.346 -0.300 12.932 1.00 0.00 H new ATOM 0 HG12 ILE A 84 9.724 1.888 10.927 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.344 1.873 12.638 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.255 -0.069 11.384 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.374 -1.593 11.119 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.149 -0.228 9.999 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.248 3.348 12.176 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.757 1.976 13.189 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.143 1.991 11.452 1.00 0.00 H new ATOM 1529 N PRO A 85 7.676 -2.779 11.050 1.00 0.00 N ATOM 1530 CA PRO A 85 7.377 -4.188 11.294 1.00 0.00 C ATOM 1531 C PRO A 85 8.443 -5.141 10.717 1.00 0.00 C ATOM 1532 O PRO A 85 9.215 -4.765 9.824 1.00 0.00 O ATOM 1533 CB PRO A 85 6.004 -4.389 10.648 1.00 0.00 C ATOM 1534 CG PRO A 85 6.114 -3.495 9.416 1.00 0.00 C ATOM 1535 CD PRO A 85 6.873 -2.284 9.936 1.00 0.00 C ATOM 0 HA PRO A 85 7.378 -4.426 12.358 1.00 0.00 H new ATOM 0 HB2 PRO A 85 5.823 -5.431 10.384 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.192 -4.082 11.307 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.650 -3.989 8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.133 -3.220 9.028 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.503 -1.852 9.159 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.188 -1.501 10.263 1.00 0.00 H new ATOM 1543 N PRO A 86 8.450 -6.415 11.145 1.00 0.00 N ATOM 1544 CA PRO A 86 9.425 -7.393 10.686 1.00 0.00 C ATOM 1545 C PRO A 86 9.212 -7.906 9.260 1.00 0.00 C ATOM 1546 O PRO A 86 8.097 -8.156 8.799 1.00 0.00 O ATOM 1547 CB PRO A 86 9.368 -8.528 11.708 1.00 0.00 C ATOM 1548 CG PRO A 86 7.928 -8.480 12.210 1.00 0.00 C ATOM 1549 CD PRO A 86 7.597 -6.989 12.179 1.00 0.00 C ATOM 0 HA PRO A 86 10.406 -6.923 10.625 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.603 -9.490 11.253 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.081 -8.375 12.518 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.259 -9.054 11.569 1.00 0.00 H new ATOM 0 HG3 PRO A 86 7.838 -8.892 13.215 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.543 -6.827 11.952 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.789 -6.525 13.147 1.00 0.00 H new ATOM 1557 N THR A 87 10.338 -8.101 8.576 1.00 0.00 N ATOM 1558 CA THR A 87 10.473 -8.594 7.209 1.00 0.00 C ATOM 1559 C THR A 87 10.103 -10.078 7.068 1.00 0.00 C ATOM 1560 O THR A 87 9.890 -10.542 5.948 1.00 0.00 O ATOM 1561 CB THR A 87 11.913 -8.355 6.706 1.00 0.00 C ATOM 1562 OG1 THR A 87 12.851 -8.297 7.779 1.00 0.00 O ATOM 1563 CG2 THR A 87 11.997 -7.077 5.877 1.00 0.00 C ATOM 0 H THR A 87 11.247 -7.903 8.995 1.00 0.00 H new ATOM 0 HA THR A 87 9.766 -8.035 6.596 1.00 0.00 H new ATOM 0 HB THR A 87 12.172 -9.207 6.077 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.750 -8.146 7.420 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.022 -6.932 5.535 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.335 -7.158 5.015 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.695 -6.226 6.488 1.00 0.00 H new ATOM 1571 N SER A 88 10.061 -10.834 8.167 1.00 0.00 N ATOM 1572 CA SER A 88 9.716 -12.251 8.128 1.00 0.00 C ATOM 1573 C SER A 88 8.202 -12.477 8.295 1.00 0.00 C ATOM 1574 O SER A 88 7.746 -13.610 8.147 1.00 0.00 O ATOM 1575 CB SER A 88 10.522 -12.996 9.193 1.00 0.00 C ATOM 1576 OG SER A 88 11.915 -12.733 9.086 1.00 0.00 O ATOM 0 H SER A 88 10.264 -10.481 9.102 1.00 0.00 H new ATOM 0 HA SER A 88 9.975 -12.649 7.147 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.173 -12.703 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.347 -14.068 9.097 1.00 0.00 H new ATOM 0 HG SER A 88 12.395 -13.225 9.784 1.00 0.00 H new ATOM 1582 N ALA A 89 7.430 -11.438 8.640 1.00 0.00 N ATOM 1583 CA ALA A 89 5.983 -11.536 8.804 1.00 0.00 C ATOM 1584 C ALA A 89 5.312 -11.531 7.423 1.00 0.00 C ATOM 1585 O ALA A 89 5.976 -11.412 6.389 1.00 0.00 O ATOM 1586 CB ALA A 89 5.479 -10.380 9.677 1.00 0.00 C ATOM 0 H ALA A 89 7.799 -10.503 8.813 1.00 0.00 H new ATOM 0 HA ALA A 89 5.727 -12.469 9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.398 -10.458 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.956 -10.428 10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.724 -9.431 9.201 1.00 0.00 H new ATOM 1592 N THR A 90 3.987 -11.607 7.400 1.00 0.00 N ATOM 1593 CA THR A 90 3.167 -11.603 6.198 1.00 0.00 C ATOM 1594 C THR A 90 2.343 -10.313 6.162 1.00 0.00 C ATOM 1595 O THR A 90 2.195 -9.628 7.181 1.00 0.00 O ATOM 1596 CB THR A 90 2.281 -12.861 6.203 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.639 -12.946 7.462 1.00 0.00 O ATOM 1598 CG2 THR A 90 3.085 -14.142 5.955 1.00 0.00 C ATOM 0 H THR A 90 3.433 -11.676 8.254 1.00 0.00 H new ATOM 0 HA THR A 90 3.782 -11.628 5.298 1.00 0.00 H new ATOM 0 HB THR A 90 1.557 -12.773 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.067 -13.742 7.485 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.414 -15.001 5.968 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.577 -14.081 4.984 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.837 -14.257 6.736 1.00 0.00 H new ATOM 1606 N MET A 91 1.782 -9.964 5.003 1.00 0.00 N ATOM 1607 CA MET A 91 0.960 -8.765 4.844 1.00 0.00 C ATOM 1608 C MET A 91 -0.272 -8.810 5.762 1.00 0.00 C ATOM 1609 O MET A 91 -0.750 -7.763 6.193 1.00 0.00 O ATOM 1610 CB MET A 91 0.552 -8.597 3.373 1.00 0.00 C ATOM 1611 CG MET A 91 1.737 -8.268 2.448 1.00 0.00 C ATOM 1612 SD MET A 91 2.732 -6.805 2.854 1.00 0.00 S ATOM 1613 CE MET A 91 1.471 -5.527 2.619 1.00 0.00 C ATOM 0 H MET A 91 1.886 -10.507 4.146 1.00 0.00 H new ATOM 0 HA MET A 91 1.552 -7.898 5.139 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.074 -9.514 3.028 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.191 -7.803 3.297 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.401 -9.132 2.430 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.350 -8.142 1.437 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.916 -4.544 2.774 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.073 -5.590 1.606 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.663 -5.677 3.336 1.00 0.00 H new ATOM 1623 N GLY A 92 -0.759 -10.004 6.112 1.00 0.00 N ATOM 1624 CA GLY A 92 -1.905 -10.174 6.989 1.00 0.00 C ATOM 1625 C GLY A 92 -1.613 -9.599 8.371 1.00 0.00 C ATOM 1626 O GLY A 92 -2.496 -8.967 8.944 1.00 0.00 O ATOM 0 H GLY A 92 -0.360 -10.885 5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.775 -9.678 6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.151 -11.232 7.074 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.382 -9.760 8.885 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.016 -9.245 10.202 1.00 0.00 C ATOM 1632 C GLN A 93 -0.216 -7.737 10.266 1.00 0.00 C ATOM 1633 O GLN A 93 -0.762 -7.250 11.249 1.00 0.00 O ATOM 1634 CB GLN A 93 1.441 -9.595 10.581 1.00 0.00 C ATOM 1635 CG GLN A 93 1.634 -11.046 11.041 1.00 0.00 C ATOM 1636 CD GLN A 93 0.730 -11.352 12.232 1.00 0.00 C ATOM 1637 OE1 GLN A 93 0.846 -10.753 13.300 1.00 0.00 O ATOM 1638 NE2 GLN A 93 -0.227 -12.238 12.051 1.00 0.00 N ATOM 0 H GLN A 93 0.374 -10.245 8.402 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.675 -9.728 10.924 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.084 -9.409 9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.770 -8.926 11.376 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.408 -11.727 10.221 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.676 -11.212 11.315 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.309 -12.726 11.159 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.887 -12.437 12.803 1.00 0.00 H new ATOM 1647 N LEU A 94 0.258 -6.976 9.272 1.00 0.00 N ATOM 1648 CA LEU A 94 0.067 -5.526 9.291 1.00 0.00 C ATOM 1649 C LEU A 94 -1.407 -5.188 9.067 1.00 0.00 C ATOM 1650 O LEU A 94 -1.879 -4.184 9.582 1.00 0.00 O ATOM 1651 CB LEU A 94 1.051 -4.740 8.408 1.00 0.00 C ATOM 1652 CG LEU A 94 0.993 -4.979 6.893 1.00 0.00 C ATOM 1653 CD1 LEU A 94 -0.125 -4.216 6.175 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.321 -4.564 6.249 1.00 0.00 C ATOM 0 H LEU A 94 0.765 -7.333 8.462 1.00 0.00 H new ATOM 0 HA LEU A 94 0.331 -5.174 10.288 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.888 -3.677 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.062 -4.969 8.746 1.00 0.00 H new ATOM 0 HG LEU A 94 0.792 -6.044 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.094 -4.442 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.090 -4.517 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.012 -3.145 6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.273 -4.736 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.503 -3.506 6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.132 -5.154 6.675 1.00 0.00 H new ATOM 1666 N TYR A 95 -2.131 -5.974 8.259 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.544 -5.707 8.018 1.00 0.00 C ATOM 1668 C TYR A 95 -4.363 -5.837 9.302 1.00 0.00 C ATOM 1669 O TYR A 95 -5.210 -4.981 9.569 1.00 0.00 O ATOM 1670 CB TYR A 95 -4.096 -6.530 6.852 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.616 -6.463 6.684 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -6.291 -5.224 6.664 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -6.368 -7.649 6.539 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.681 -5.158 6.457 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.763 -7.593 6.347 1.00 0.00 C ATOM 1676 CZ TYR A 95 -8.428 -6.346 6.299 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.787 -6.290 6.239 1.00 0.00 O ATOM 0 H TYR A 95 -1.762 -6.789 7.769 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.638 -4.667 7.704 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.627 -6.188 5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.805 -7.571 6.990 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.732 -4.312 6.810 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.870 -8.607 6.576 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.177 -4.199 6.419 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.327 -8.507 6.236 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.147 -7.195 6.128 1.00 0.00 H new ATOM 1687 N GLU A 96 -4.191 -6.909 10.074 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.928 -7.068 11.321 1.00 0.00 C ATOM 1689 C GLU A 96 -4.447 -6.056 12.367 1.00 0.00 C ATOM 1690 O GLU A 96 -5.250 -5.485 13.107 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.969 -8.539 11.760 1.00 0.00 C ATOM 1692 CG GLU A 96 -3.666 -9.220 12.201 1.00 0.00 C ATOM 1693 CD GLU A 96 -3.844 -10.743 12.338 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -4.993 -11.255 12.316 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -2.848 -11.492 12.438 1.00 0.00 O ATOM 0 H GLU A 96 -3.552 -7.674 9.858 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.978 -6.818 11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.677 -8.617 12.585 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.379 -9.118 10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.880 -9.008 11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.341 -8.803 13.154 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.156 -5.722 12.350 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.541 -4.776 13.279 1.00 0.00 C ATOM 1704 C ASP A 97 -3.030 -3.344 13.045 1.00 0.00 C ATOM 1705 O ASP A 97 -3.378 -2.657 14.001 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.027 -4.849 13.083 1.00 0.00 C ATOM 1707 CG ASP A 97 -0.265 -3.860 13.944 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -0.266 -4.044 15.176 1.00 0.00 O ATOM 1709 OD2 ASP A 97 0.438 -2.999 13.364 1.00 0.00 O ATOM 0 H ASP A 97 -2.496 -6.110 11.676 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.820 -5.043 14.298 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.686 -5.859 13.312 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.793 -4.664 12.035 1.00 0.00 H new ATOM 1714 N ASN A 98 -3.145 -2.914 11.789 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.576 -1.582 11.359 1.00 0.00 C ATOM 1716 C ASN A 98 -5.070 -1.506 11.023 1.00 0.00 C ATOM 1717 O ASN A 98 -5.514 -0.499 10.474 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.688 -1.080 10.212 1.00 0.00 C ATOM 1719 CG ASN A 98 -2.826 0.420 9.947 1.00 0.00 C ATOM 1720 OD1 ASN A 98 -3.200 1.207 10.809 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -2.498 0.859 8.741 1.00 0.00 N ATOM 0 H ASN A 98 -2.928 -3.520 10.998 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.448 -0.910 12.208 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.647 -1.306 10.443 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.939 -1.626 9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -2.556 1.855 8.527 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -2.187 0.201 8.026 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.832 -2.590 11.206 1.00 0.00 N ATOM 1729 CA HIS A 99 -7.264 -2.653 10.911 1.00 0.00 C ATOM 1730 C HIS A 99 -8.020 -1.379 11.329 1.00 0.00 C ATOM 1731 O HIS A 99 -8.046 -1.008 12.507 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.889 -3.949 11.462 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.278 -3.990 12.918 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -7.543 -3.526 13.985 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -9.438 -4.524 13.412 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -8.261 -3.738 15.097 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -9.429 -4.343 14.800 1.00 0.00 N ATOM 0 H HIS A 99 -5.460 -3.467 11.572 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.371 -2.692 9.827 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.780 -4.165 10.873 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.184 -4.761 11.283 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -10.218 -4.999 12.835 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.947 -3.462 16.093 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -10.161 -4.615 15.457 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.536 -0.660 10.338 1.00 0.00 N ATOM 1746 CA GLU A 100 -9.302 0.569 10.461 1.00 0.00 C ATOM 1747 C GLU A 100 -10.628 0.373 9.730 1.00 0.00 C ATOM 1748 O GLU A 100 -10.749 -0.510 8.873 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.524 1.721 9.800 1.00 0.00 C ATOM 1750 CG GLU A 100 -7.474 2.384 10.690 1.00 0.00 C ATOM 1751 CD GLU A 100 -8.127 3.329 11.696 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -8.577 2.877 12.769 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -8.240 4.540 11.395 1.00 0.00 O ATOM 0 H GLU A 100 -8.421 -0.941 9.364 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.475 0.807 11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.032 1.341 8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.235 2.480 9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.906 1.619 11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.766 2.937 10.073 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.580 1.277 9.954 1.00 0.00 N ATOM 1761 CA GLU A 101 -12.890 1.236 9.311 1.00 0.00 C ATOM 1762 C GLU A 101 -12.779 1.681 7.846 1.00 0.00 C ATOM 1763 O GLU A 101 -13.745 1.563 7.096 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.859 2.155 10.067 1.00 0.00 C ATOM 1765 CG GLU A 101 -14.340 1.518 11.379 1.00 0.00 C ATOM 1766 CD GLU A 101 -15.270 2.436 12.176 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -15.997 3.266 11.577 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -15.364 2.252 13.409 1.00 0.00 O ATOM 0 H GLU A 101 -11.462 2.064 10.592 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.267 0.214 9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.367 3.104 10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.718 2.377 9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.860 0.586 11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.476 1.262 11.992 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.629 2.218 7.423 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.403 2.639 6.042 1.00 0.00 C ATOM 1777 C ASP A 102 -10.886 1.451 5.208 1.00 0.00 C ATOM 1778 O ASP A 102 -10.988 1.478 3.988 1.00 0.00 O ATOM 1779 CB ASP A 102 -10.449 3.835 5.970 1.00 0.00 C ATOM 1780 CG ASP A 102 -8.972 3.455 6.066 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -8.449 3.322 7.194 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -8.309 3.329 5.019 1.00 0.00 O ATOM 0 H ASP A 102 -10.827 2.372 8.034 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.353 2.968 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.617 4.366 5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.689 4.528 6.776 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.378 0.389 5.852 1.00 0.00 N ATOM 1788 CA TYR A 103 -9.850 -0.857 5.283 1.00 0.00 C ATOM 1789 C TYR A 103 -8.586 -0.767 4.405 1.00 0.00 C ATOM 1790 O TYR A 103 -8.188 -1.799 3.854 1.00 0.00 O ATOM 1791 CB TYR A 103 -10.968 -1.655 4.586 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.193 -1.898 5.445 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.195 -2.929 6.403 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.301 -1.039 5.339 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.302 -3.104 7.250 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.410 -1.207 6.181 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.405 -2.229 7.149 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.497 -2.435 7.928 1.00 0.00 O ATOM 0 H TYR A 103 -10.322 0.381 6.870 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.484 -1.394 6.158 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.271 -1.121 3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.566 -2.617 4.267 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.343 -3.587 6.487 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.298 -0.246 4.606 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.309 -3.904 7.975 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.265 -0.554 6.087 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.168 -1.746 7.740 1.00 0.00 H new ATOM 1808 N PHE A 104 -7.926 0.389 4.265 1.00 0.00 N ATOM 1809 CA PHE A 104 -6.711 0.507 3.453 1.00 0.00 C ATOM 1810 C PHE A 104 -5.484 0.480 4.348 1.00 0.00 C ATOM 1811 O PHE A 104 -5.555 0.776 5.547 1.00 0.00 O ATOM 1812 CB PHE A 104 -6.650 1.789 2.616 1.00 0.00 C ATOM 1813 CG PHE A 104 -7.651 1.901 1.493 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -8.949 2.363 1.751 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -7.262 1.611 0.175 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -9.871 2.480 0.704 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -8.175 1.774 -0.878 1.00 0.00 C ATOM 1818 CZ PHE A 104 -9.493 2.175 -0.609 1.00 0.00 C ATOM 0 H PHE A 104 -8.216 1.261 4.707 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.733 -0.341 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.787 2.640 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.649 1.874 2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.238 2.629 2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.260 1.263 -0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -10.879 2.807 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.864 1.591 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.212 2.248 -1.411 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.365 0.060 3.758 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.078 -0.017 4.424 1.00 0.00 C ATOM 1830 C LEU A 105 -2.138 0.938 3.699 1.00 0.00 C ATOM 1831 O LEU A 105 -2.066 0.948 2.467 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.527 -1.453 4.437 1.00 0.00 C ATOM 1833 CG LEU A 105 -3.311 -2.493 5.264 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -3.442 -2.043 6.722 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -4.673 -2.854 4.669 1.00 0.00 C ATOM 0 H LEU A 105 -4.334 -0.241 2.784 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.178 0.270 5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.477 -1.806 3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.505 -1.421 4.813 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.724 -3.411 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.998 -2.792 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.450 -1.925 7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.972 -1.091 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.165 -3.590 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.291 -1.959 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.535 -3.271 3.671 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.404 1.732 4.467 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.459 2.718 3.979 1.00 0.00 C ATOM 1849 C TYR A 106 0.962 2.169 4.031 1.00 0.00 C ATOM 1850 O TYR A 106 1.329 1.525 5.015 1.00 0.00 O ATOM 1851 CB TYR A 106 -0.557 3.936 4.910 1.00 0.00 C ATOM 1852 CG TYR A 106 0.441 5.036 4.611 1.00 0.00 C ATOM 1853 CD1 TYR A 106 1.710 5.042 5.222 1.00 0.00 C ATOM 1854 CD2 TYR A 106 0.086 6.068 3.726 1.00 0.00 C ATOM 1855 CE1 TYR A 106 2.615 6.083 4.958 1.00 0.00 C ATOM 1856 CE2 TYR A 106 0.989 7.106 3.446 1.00 0.00 C ATOM 1857 CZ TYR A 106 2.256 7.120 4.067 1.00 0.00 C ATOM 1858 OH TYR A 106 3.107 8.144 3.805 1.00 0.00 O ATOM 0 H TYR A 106 -1.455 1.703 5.485 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.688 2.979 2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.564 4.348 4.844 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.416 3.604 5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.988 4.244 5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.887 6.063 3.258 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.584 6.091 5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.715 7.891 2.757 1.00 0.00 H new ATOM 0 HH TYR A 106 3.935 8.020 4.315 1.00 0.00 H new ATOM 1868 N VAL A 107 1.766 2.391 2.992 1.00 0.00 N ATOM 1869 CA VAL A 107 3.158 1.968 2.962 1.00 0.00 C ATOM 1870 C VAL A 107 3.958 3.130 2.383 1.00 0.00 C ATOM 1871 O VAL A 107 3.602 3.651 1.323 1.00 0.00 O ATOM 1872 CB VAL A 107 3.377 0.623 2.236 1.00 0.00 C ATOM 1873 CG1 VAL A 107 3.046 0.627 0.738 1.00 0.00 C ATOM 1874 CG2 VAL A 107 4.823 0.138 2.419 1.00 0.00 C ATOM 0 H VAL A 107 1.465 2.872 2.145 1.00 0.00 H new ATOM 0 HA VAL A 107 3.511 1.747 3.970 1.00 0.00 H new ATOM 0 HB VAL A 107 2.666 -0.056 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.233 -0.363 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.997 0.887 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.673 1.359 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.957 -0.811 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.510 0.877 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.030 0.003 3.481 1.00 0.00 H new ATOM 1884 N ALA A 108 5.002 3.548 3.091 1.00 0.00 N ATOM 1885 CA ALA A 108 5.899 4.614 2.683 1.00 0.00 C ATOM 1886 C ALA A 108 7.253 3.959 2.472 1.00 0.00 C ATOM 1887 O ALA A 108 7.575 3.004 3.190 1.00 0.00 O ATOM 1888 CB ALA A 108 6.001 5.714 3.742 1.00 0.00 C ATOM 0 H ALA A 108 5.252 3.139 3.992 1.00 0.00 H new ATOM 0 HA ALA A 108 5.530 5.098 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.682 6.491 3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.015 6.146 3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.378 5.290 4.672 1.00 0.00 H new ATOM 1894 N TYR A 109 8.028 4.424 1.493 1.00 0.00 N ATOM 1895 CA TYR A 109 9.357 3.863 1.252 1.00 0.00 C ATOM 1896 C TYR A 109 10.374 4.980 1.035 1.00 0.00 C ATOM 1897 O TYR A 109 10.091 5.962 0.337 1.00 0.00 O ATOM 1898 CB TYR A 109 9.350 2.802 0.137 1.00 0.00 C ATOM 1899 CG TYR A 109 9.140 3.288 -1.289 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.877 3.751 -1.693 1.00 0.00 C ATOM 1901 CD2 TYR A 109 10.193 3.258 -2.223 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.681 4.258 -2.988 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.999 3.726 -3.534 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.751 4.267 -3.906 1.00 0.00 C ATOM 1905 OH TYR A 109 8.574 4.793 -5.146 1.00 0.00 O ATOM 0 H TYR A 109 7.763 5.179 0.860 1.00 0.00 H new ATOM 0 HA TYR A 109 9.671 3.321 2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.299 2.267 0.175 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.567 2.078 0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.048 3.717 -1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.158 2.872 -1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.714 4.640 -3.280 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.802 3.672 -4.254 1.00 0.00 H new ATOM 0 HH TYR A 109 9.440 4.858 -5.600 1.00 0.00 H new ATOM 1915 N SER A 110 11.558 4.809 1.630 1.00 0.00 N ATOM 1916 CA SER A 110 12.657 5.750 1.549 1.00 0.00 C ATOM 1917 C SER A 110 13.998 5.038 1.686 1.00 0.00 C ATOM 1918 O SER A 110 14.073 3.877 2.086 1.00 0.00 O ATOM 1919 CB SER A 110 12.498 6.839 2.620 1.00 0.00 C ATOM 1920 OG SER A 110 13.454 7.879 2.470 1.00 0.00 O ATOM 0 H SER A 110 11.775 3.987 2.194 1.00 0.00 H new ATOM 0 HA SER A 110 12.636 6.224 0.568 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.494 7.259 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.601 6.392 3.609 1.00 0.00 H new ATOM 0 HG SER A 110 13.318 8.552 3.169 1.00 0.00 H new ATOM 1926 N ASP A 111 15.047 5.733 1.250 1.00 0.00 N ATOM 1927 CA ASP A 111 16.442 5.303 1.286 1.00 0.00 C ATOM 1928 C ASP A 111 16.952 5.327 2.727 1.00 0.00 C ATOM 1929 O ASP A 111 17.758 4.487 3.119 1.00 0.00 O ATOM 1930 CB ASP A 111 17.272 6.267 0.419 1.00 0.00 C ATOM 1931 CG ASP A 111 18.790 6.170 0.614 1.00 0.00 C ATOM 1932 OD1 ASP A 111 19.322 6.701 1.612 1.00 0.00 O ATOM 1933 OD2 ASP A 111 19.490 5.740 -0.328 1.00 0.00 O ATOM 0 H ASP A 111 14.940 6.661 0.840 1.00 0.00 H new ATOM 0 HA ASP A 111 16.532 4.287 0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 111 17.043 6.078 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.958 7.288 0.635 1.00 0.00 H new ATOM 1938 N GLU A 112 16.466 6.281 3.520 1.00 0.00 N ATOM 1939 CA GLU A 112 16.843 6.481 4.906 1.00 0.00 C ATOM 1940 C GLU A 112 15.593 6.510 5.778 1.00 0.00 C ATOM 1941 O GLU A 112 14.489 6.771 5.300 1.00 0.00 O ATOM 1942 CB GLU A 112 17.682 7.769 4.984 1.00 0.00 C ATOM 1943 CG GLU A 112 18.089 8.179 6.406 1.00 0.00 C ATOM 1944 CD GLU A 112 19.280 9.139 6.402 1.00 0.00 C ATOM 1945 OE1 GLU A 112 20.417 8.701 6.120 1.00 0.00 O ATOM 1946 OE2 GLU A 112 19.103 10.352 6.670 1.00 0.00 O ATOM 0 H GLU A 112 15.774 6.957 3.197 1.00 0.00 H new ATOM 0 HA GLU A 112 17.453 5.662 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.583 7.637 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 112 17.116 8.584 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.243 8.652 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 112 18.341 7.289 6.983 1.00 0.00 H new ATOM 1953 N SER A 113 15.775 6.219 7.061 1.00 0.00 N ATOM 1954 CA SER A 113 14.749 6.199 8.082 1.00 0.00 C ATOM 1955 C SER A 113 14.240 7.625 8.280 1.00 0.00 C ATOM 1956 O SER A 113 14.947 8.446 8.870 1.00 0.00 O ATOM 1957 CB SER A 113 15.385 5.632 9.359 1.00 0.00 C ATOM 1958 OG SER A 113 16.721 6.101 9.525 1.00 0.00 O ATOM 0 H SER A 113 16.695 5.978 7.431 1.00 0.00 H new ATOM 0 HA SER A 113 13.898 5.576 7.806 1.00 0.00 H new ATOM 0 HB2 SER A 113 14.787 5.919 10.224 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.382 4.543 9.316 1.00 0.00 H new ATOM 0 HG SER A 113 16.747 7.071 9.386 1.00 0.00 H new ATOM 2086 N GLU B 730 -14.536 -1.663 -7.235 1.00 0.00 N ATOM 2087 CA GLU B 730 -13.466 -0.721 -7.389 1.00 0.00 C ATOM 2088 C GLU B 730 -12.241 -1.561 -7.740 1.00 0.00 C ATOM 2089 O GLU B 730 -11.984 -2.596 -7.111 1.00 0.00 O ATOM 2090 CB GLU B 730 -13.306 -0.006 -6.033 1.00 0.00 C ATOM 2091 CG GLU B 730 -14.495 0.859 -5.572 1.00 0.00 C ATOM 2092 CD GLU B 730 -15.819 0.108 -5.352 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -15.792 -1.070 -4.934 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -16.899 0.676 -5.648 1.00 0.00 O ATOM 0 HA GLU B 730 -13.629 0.034 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -13.115 -0.760 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -12.421 0.628 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -14.221 1.355 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -14.661 1.641 -6.313 1.00 0.00 H new ATOM 2101 N ASP B 731 -11.448 -1.123 -8.708 1.00 0.00 N ATOM 2102 CA ASP B 731 -10.262 -1.842 -9.153 1.00 0.00 C ATOM 2103 C ASP B 731 -9.019 -0.974 -8.957 1.00 0.00 C ATOM 2104 O ASP B 731 -9.086 0.257 -9.054 1.00 0.00 O ATOM 2105 CB ASP B 731 -10.496 -2.293 -10.595 1.00 0.00 C ATOM 2106 CG ASP B 731 -9.215 -2.834 -11.210 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -8.894 -4.019 -10.968 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -8.521 -2.048 -11.891 1.00 0.00 O ATOM 0 H ASP B 731 -11.611 -0.251 -9.211 1.00 0.00 H new ATOM 0 HA ASP B 731 -10.082 -2.737 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -11.268 -3.062 -10.619 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -10.862 -1.455 -11.187 1.00 0.00 H new ATOM 2113 N TYR B 732 -7.917 -1.616 -8.565 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.601 -1.034 -8.310 1.00 0.00 C ATOM 2115 C TYR B 732 -5.551 -1.942 -8.957 1.00 0.00 C ATOM 2116 O TYR B 732 -5.896 -2.928 -9.616 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.341 -0.855 -6.802 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.316 0.011 -6.031 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -7.692 1.277 -6.521 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -7.783 -0.414 -4.775 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.567 2.097 -5.792 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -8.665 0.398 -4.046 1.00 0.00 C ATOM 2123 CZ TYR B 732 -9.087 1.643 -4.565 1.00 0.00 C ATOM 2124 OH TYR B 732 -10.031 2.378 -3.924 1.00 0.00 O ATOM 0 H TYR B 732 -7.922 -2.624 -8.407 1.00 0.00 H new ATOM 0 HA TYR B 732 -6.548 -0.036 -8.745 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -6.329 -1.843 -6.341 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -5.343 -0.433 -6.679 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -7.303 1.620 -7.468 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -7.463 -1.364 -4.372 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -8.840 3.071 -6.170 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -9.024 0.069 -3.082 1.00 0.00 H new ATOM 0 HH TYR B 732 -10.614 1.783 -3.408 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.271 -1.691 -8.704 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.194 -2.463 -9.301 1.00 0.00 C ATOM 2136 C ILE B 733 -2.939 -3.736 -8.490 1.00 0.00 C ATOM 2137 O ILE B 733 -2.284 -3.696 -7.448 1.00 0.00 O ATOM 2138 CB ILE B 733 -1.952 -1.550 -9.392 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.270 -0.181 -10.036 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -0.778 -2.232 -10.117 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -2.805 -0.233 -11.466 1.00 0.00 C ATOM 0 H ILE B 733 -3.954 -0.948 -8.081 1.00 0.00 H new ATOM 0 HA ILE B 733 -3.456 -2.794 -10.306 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.645 -1.365 -8.363 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -3.001 0.333 -9.412 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -1.363 0.424 -10.028 1.00 0.00 H new ATOM 0 HG21 ILE B 733 0.071 -1.550 -10.155 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -0.494 -3.136 -9.578 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -1.079 -2.494 -11.131 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -2.994 0.780 -11.821 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -2.070 -0.712 -12.112 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -3.733 -0.804 -11.487 1.00 0.00 H new ATOM 2153 N ILE B 734 -3.490 -4.867 -8.939 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.295 -6.152 -8.273 1.00 0.00 C ATOM 2155 C ILE B 734 -1.877 -6.551 -8.688 1.00 0.00 C ATOM 2156 O ILE B 734 -1.570 -6.606 -9.883 1.00 0.00 O ATOM 2157 CB ILE B 734 -4.370 -7.190 -8.684 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -5.783 -6.681 -8.306 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.084 -8.538 -7.994 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -6.938 -7.600 -8.716 1.00 0.00 C ATOM 0 H ILE B 734 -4.080 -4.915 -9.770 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.403 -6.097 -7.190 1.00 0.00 H new ATOM 0 HB ILE B 734 -4.333 -7.330 -9.764 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -5.822 -6.534 -7.227 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -5.935 -5.705 -8.766 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -4.842 -9.264 -8.286 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.101 -8.899 -8.295 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.106 -8.405 -6.912 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -7.884 -7.155 -8.407 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -6.934 -7.729 -9.798 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -6.819 -8.571 -8.235 1.00 0.00 H new ATOM 2172 N ILE B 735 -0.991 -6.776 -7.718 1.00 0.00 N ATOM 2173 CA ILE B 735 0.396 -7.132 -7.988 1.00 0.00 C ATOM 2174 C ILE B 735 0.831 -8.313 -7.128 1.00 0.00 C ATOM 2175 O ILE B 735 1.371 -8.150 -6.033 1.00 0.00 O ATOM 2176 CB ILE B 735 1.295 -5.870 -7.923 1.00 0.00 C ATOM 2177 CG1 ILE B 735 2.806 -6.165 -8.025 1.00 0.00 C ATOM 2178 CG2 ILE B 735 1.053 -5.003 -6.670 1.00 0.00 C ATOM 2179 CD1 ILE B 735 3.228 -7.062 -9.191 1.00 0.00 C ATOM 0 H ILE B 735 -1.217 -6.716 -6.725 1.00 0.00 H new ATOM 0 HA ILE B 735 0.508 -7.497 -9.009 1.00 0.00 H new ATOM 0 HB ILE B 735 0.990 -5.313 -8.809 1.00 0.00 H new ATOM 0 HG12 ILE B 735 3.338 -5.217 -8.108 1.00 0.00 H new ATOM 0 HG13 ILE B 735 3.130 -6.632 -7.095 1.00 0.00 H new ATOM 0 HG21 ILE B 735 1.716 -4.138 -6.692 1.00 0.00 H new ATOM 0 HG22 ILE B 735 0.017 -4.665 -6.656 1.00 0.00 H new ATOM 0 HG23 ILE B 735 1.255 -5.592 -5.775 1.00 0.00 H new ATOM 0 HD11 ILE B 735 4.308 -7.204 -9.168 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.733 -8.029 -9.104 1.00 0.00 H new ATOM 0 HD13 ILE B 735 2.944 -6.592 -10.133 1.00 0.00 H new