USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot 180:sc= -0.275 USER MOD Set 1.2: A 82 MET CE :methyl -132:sc= -3.52! (180deg=-4.17!) USER MOD Set 2.1: A 32 ASN : amide:sc= 0.188 K(o=-0.94,f=-3.4) USER MOD Set 2.2: A 34 MET CE :methyl 151:sc= -0.664 (180deg=-1.28) USER MOD Set 2.3: A 76 MET CE :methyl -160:sc= -0.46 (180deg=-0.929) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.59! USER MOD Single : A 43 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.97 X(o=-2,f=-2!) USER MOD Single : A 51 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 58 LYS NZ :NH3+ -117:sc= -0.0726 (180deg=-0.903) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.27 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -4.08! C(o=-4.1!,f=-5.5!) USER MOD Single : A 71 GLN : amide:sc= 0.59 K(o=0.59,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= -0.985 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.522 4.860 -27.792 1.00 0.00 N ATOM 179 CA LYS A 15 21.628 5.341 -28.610 1.00 0.00 C ATOM 180 C LYS A 15 21.681 6.865 -28.614 1.00 0.00 C ATOM 181 O LYS A 15 22.744 7.458 -28.792 1.00 0.00 O ATOM 182 CB LYS A 15 21.493 4.821 -30.043 1.00 0.00 C ATOM 183 CG LYS A 15 22.018 3.408 -30.230 1.00 0.00 C ATOM 184 CD LYS A 15 21.411 2.450 -29.219 1.00 0.00 C ATOM 185 CE LYS A 15 22.245 2.377 -27.949 1.00 0.00 C ATOM 186 NZ LYS A 15 22.113 1.057 -27.274 1.00 0.00 N ATOM 0 HA LYS A 15 22.556 4.965 -28.179 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.443 4.851 -30.334 1.00 0.00 H new ATOM 0 HB3 LYS A 15 22.029 5.491 -30.715 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.791 3.065 -31.239 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.103 3.406 -30.129 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.399 2.772 -28.973 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.331 1.457 -29.660 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.292 2.558 -28.191 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.935 3.167 -27.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.696 1.047 -26.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.118 0.895 -27.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.433 0.305 -27.917 1.00 0.00 H new ATOM 200 N GLU A 16 20.526 7.493 -28.414 1.00 0.00 N ATOM 201 CA GLU A 16 20.442 8.949 -28.394 1.00 0.00 C ATOM 202 C GLU A 16 20.204 9.460 -26.976 1.00 0.00 C ATOM 203 O GLU A 16 20.927 10.329 -26.488 1.00 0.00 O ATOM 204 CB GLU A 16 19.320 9.430 -29.316 1.00 0.00 C ATOM 205 CG GLU A 16 18.196 8.421 -29.485 1.00 0.00 C ATOM 206 CD GLU A 16 16.882 9.071 -29.872 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.787 9.586 -31.006 1.00 0.00 O ATOM 208 OE2 GLU A 16 15.949 9.065 -29.041 1.00 0.00 O ATOM 0 H GLU A 16 19.637 7.017 -28.264 1.00 0.00 H new ATOM 0 HA GLU A 16 21.392 9.347 -28.751 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.908 10.358 -28.919 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.740 9.661 -30.295 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.476 7.695 -30.248 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.064 7.870 -28.554 1.00 0.00 H new ATOM 215 N VAL A 17 19.185 8.915 -26.319 1.00 0.00 N ATOM 216 CA VAL A 17 18.851 9.315 -24.957 1.00 0.00 C ATOM 217 C VAL A 17 19.007 10.820 -24.772 1.00 0.00 C ATOM 218 O VAL A 17 19.237 11.300 -23.662 1.00 0.00 O ATOM 219 CB VAL A 17 19.736 8.588 -23.927 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.147 9.157 -23.938 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.124 8.685 -22.537 1.00 0.00 C ATOM 0 H VAL A 17 18.576 8.195 -26.708 1.00 0.00 H new ATOM 0 HA VAL A 17 17.810 9.038 -24.792 1.00 0.00 H new ATOM 0 HB VAL A 17 19.793 7.535 -24.202 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.757 8.631 -23.204 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.582 9.031 -24.929 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.114 10.218 -23.689 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.762 8.166 -21.822 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.035 9.733 -22.251 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.136 8.225 -22.542 1.00 0.00 H new ATOM 231 N VAL A 18 18.879 11.562 -25.868 1.00 0.00 N ATOM 232 CA VAL A 18 19.003 13.014 -25.827 1.00 0.00 C ATOM 233 C VAL A 18 17.692 13.689 -26.213 1.00 0.00 C ATOM 234 O VAL A 18 17.300 14.693 -25.618 1.00 0.00 O ATOM 235 CB VAL A 18 20.118 13.508 -26.768 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.483 13.077 -26.251 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.888 12.996 -28.182 1.00 0.00 C ATOM 0 H VAL A 18 18.689 11.181 -26.795 1.00 0.00 H new ATOM 0 HA VAL A 18 19.257 13.281 -24.801 1.00 0.00 H new ATOM 0 HB VAL A 18 20.093 14.597 -26.792 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.258 13.435 -26.928 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.646 13.498 -25.259 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.524 11.989 -26.195 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.685 13.355 -28.833 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.885 11.906 -28.178 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.928 13.360 -28.549 1.00 0.00 H new ATOM 247 N TYR A 19 17.017 13.130 -27.212 1.00 0.00 N ATOM 248 CA TYR A 19 15.750 13.680 -27.679 1.00 0.00 C ATOM 249 C TYR A 19 14.583 13.127 -26.866 1.00 0.00 C ATOM 250 O TYR A 19 13.422 13.422 -27.147 1.00 0.00 O ATOM 251 CB TYR A 19 15.549 13.362 -29.162 1.00 0.00 C ATOM 252 CG TYR A 19 16.766 13.645 -30.013 1.00 0.00 C ATOM 253 CD1 TYR A 19 17.046 14.933 -30.453 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.636 12.625 -30.378 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.157 15.197 -31.231 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.749 12.880 -31.154 1.00 0.00 C ATOM 257 CZ TYR A 19 19.006 14.167 -31.578 1.00 0.00 C ATOM 258 OH TYR A 19 20.113 14.424 -32.353 1.00 0.00 O ATOM 0 H TYR A 19 17.326 12.297 -27.713 1.00 0.00 H new ATOM 0 HA TYR A 19 15.781 14.761 -27.546 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.280 12.311 -29.266 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.709 13.945 -29.539 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.384 15.742 -30.182 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.438 11.616 -30.049 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.359 16.204 -31.565 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.415 12.075 -31.428 1.00 0.00 H new ATOM 0 HH TYR A 19 20.606 13.591 -32.506 1.00 0.00 H new ATOM 268 N TRP A 20 14.902 12.324 -25.858 1.00 0.00 N ATOM 269 CA TRP A 20 13.881 11.730 -25.002 1.00 0.00 C ATOM 270 C TRP A 20 12.929 12.795 -24.471 1.00 0.00 C ATOM 271 O TRP A 20 13.136 13.989 -24.686 1.00 0.00 O ATOM 272 CB TRP A 20 14.534 10.984 -23.837 1.00 0.00 C ATOM 273 CG TRP A 20 14.972 9.595 -24.191 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.911 9.005 -25.422 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.535 8.622 -23.305 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.403 7.724 -25.353 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.793 7.465 -24.066 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.849 8.616 -21.943 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.348 6.316 -23.509 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.399 7.475 -21.392 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.645 6.338 -22.173 1.00 0.00 C ATOM 0 H TRP A 20 15.859 12.069 -25.613 1.00 0.00 H new ATOM 0 HA TRP A 20 13.307 11.023 -25.600 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.397 11.552 -23.490 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.830 10.934 -23.006 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.532 9.476 -26.317 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.467 7.071 -26.134 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.665 9.488 -21.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.537 5.439 -24.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.644 7.459 -20.340 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.077 5.462 -21.712 1.00 0.00 H new ATOM 292 N SER A 21 11.885 12.355 -23.775 1.00 0.00 N ATOM 293 CA SER A 21 10.899 13.272 -23.215 1.00 0.00 C ATOM 294 C SER A 21 11.112 13.449 -21.715 1.00 0.00 C ATOM 295 O SER A 21 11.838 12.691 -21.071 1.00 0.00 O ATOM 296 CB SER A 21 9.483 12.757 -23.484 1.00 0.00 C ATOM 297 OG SER A 21 9.484 11.359 -23.715 1.00 0.00 O ATOM 0 H SER A 21 11.700 11.370 -23.586 1.00 0.00 H new ATOM 0 HA SER A 21 11.024 14.241 -23.698 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.841 12.988 -22.634 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.064 13.271 -24.349 1.00 0.00 H new ATOM 0 HG SER A 21 8.568 11.054 -23.883 1.00 0.00 H new ATOM 303 N PRO A 22 10.463 14.475 -21.143 1.00 0.00 N ATOM 304 CA PRO A 22 10.565 14.776 -19.712 1.00 0.00 C ATOM 305 C PRO A 22 9.871 13.729 -18.848 1.00 0.00 C ATOM 306 O PRO A 22 10.075 13.675 -17.635 1.00 0.00 O ATOM 307 CB PRO A 22 9.858 16.128 -19.584 1.00 0.00 C ATOM 308 CG PRO A 22 8.912 16.171 -20.733 1.00 0.00 C ATOM 309 CD PRO A 22 9.581 15.418 -21.849 1.00 0.00 C ATOM 0 HA PRO A 22 11.600 14.785 -19.370 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.331 16.210 -18.634 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.570 16.952 -19.626 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.958 15.713 -20.470 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.702 17.199 -21.027 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.855 14.898 -22.475 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.145 16.084 -22.502 1.00 0.00 H new ATOM 317 N LYS A 23 9.051 12.896 -19.480 1.00 0.00 N ATOM 318 CA LYS A 23 8.328 11.848 -18.770 1.00 0.00 C ATOM 319 C LYS A 23 9.066 10.517 -18.866 1.00 0.00 C ATOM 320 O LYS A 23 8.894 9.637 -18.022 1.00 0.00 O ATOM 321 CB LYS A 23 6.914 11.701 -19.337 1.00 0.00 C ATOM 322 CG LYS A 23 6.067 12.954 -19.193 1.00 0.00 C ATOM 323 CD LYS A 23 5.867 13.326 -17.733 1.00 0.00 C ATOM 324 CE LYS A 23 5.001 14.568 -17.588 1.00 0.00 C ATOM 325 NZ LYS A 23 5.764 15.813 -17.877 1.00 0.00 N ATOM 0 H LYS A 23 8.871 12.927 -20.483 1.00 0.00 H new ATOM 0 HA LYS A 23 8.264 12.133 -17.720 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.981 11.437 -20.392 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.414 10.874 -18.833 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.546 13.781 -19.718 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.098 12.795 -19.665 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.402 12.493 -17.205 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.836 13.500 -17.265 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.150 14.498 -18.265 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.600 14.615 -16.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.139 16.637 -17.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.562 15.893 -17.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.126 15.780 -18.852 1.00 0.00 H new ATOM 339 N LYS A 24 9.890 10.376 -19.899 1.00 0.00 N ATOM 340 CA LYS A 24 10.657 9.153 -20.105 1.00 0.00 C ATOM 341 C LYS A 24 11.875 9.114 -19.188 1.00 0.00 C ATOM 342 O LYS A 24 12.081 8.148 -18.453 1.00 0.00 O ATOM 343 CB LYS A 24 11.102 9.045 -21.565 1.00 0.00 C ATOM 344 CG LYS A 24 12.275 8.104 -21.776 1.00 0.00 C ATOM 345 CD LYS A 24 12.000 6.729 -21.190 1.00 0.00 C ATOM 346 CE LYS A 24 12.728 5.639 -21.960 1.00 0.00 C ATOM 347 NZ LYS A 24 11.898 5.096 -23.071 1.00 0.00 N ATOM 0 H LYS A 24 10.044 11.094 -20.607 1.00 0.00 H new ATOM 0 HA LYS A 24 10.014 8.306 -19.864 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.261 8.704 -22.168 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.373 10.037 -21.928 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.481 8.011 -22.842 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.168 8.525 -21.314 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.312 6.708 -20.146 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.928 6.533 -21.206 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.658 6.039 -22.364 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.997 4.831 -21.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.430 4.355 -23.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.022 4.691 -22.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.662 5.861 -23.734 1.00 0.00 H new ATOM 361 N VAL A 25 12.680 10.171 -19.235 1.00 0.00 N ATOM 362 CA VAL A 25 13.877 10.257 -18.407 1.00 0.00 C ATOM 363 C VAL A 25 13.624 9.691 -17.014 1.00 0.00 C ATOM 364 O VAL A 25 14.493 9.046 -16.428 1.00 0.00 O ATOM 365 CB VAL A 25 14.365 11.713 -18.277 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.574 11.790 -17.357 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.689 12.290 -19.646 1.00 0.00 C ATOM 0 H VAL A 25 12.525 10.979 -19.838 1.00 0.00 H new ATOM 0 HA VAL A 25 14.648 9.665 -18.901 1.00 0.00 H new ATOM 0 HB VAL A 25 13.565 12.309 -17.837 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.905 12.825 -17.277 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.303 11.418 -16.369 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.381 11.182 -17.765 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.032 13.319 -19.535 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.472 11.695 -20.116 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.795 12.271 -20.270 1.00 0.00 H new ATOM 377 N ALA A 26 12.428 9.937 -16.490 1.00 0.00 N ATOM 378 CA ALA A 26 12.060 9.449 -15.166 1.00 0.00 C ATOM 379 C ALA A 26 11.931 7.930 -15.157 1.00 0.00 C ATOM 380 O ALA A 26 12.620 7.244 -14.402 1.00 0.00 O ATOM 381 CB ALA A 26 10.759 10.094 -14.710 1.00 0.00 C ATOM 0 H ALA A 26 11.698 10.471 -16.961 1.00 0.00 H new ATOM 0 HA ALA A 26 12.853 9.724 -14.471 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.495 9.721 -13.720 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.884 11.176 -14.669 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.964 9.847 -15.414 1.00 0.00 H new ATOM 387 N ASP A 27 11.045 7.411 -16.000 1.00 0.00 N ATOM 388 CA ASP A 27 10.827 5.972 -16.089 1.00 0.00 C ATOM 389 C ASP A 27 12.154 5.220 -16.102 1.00 0.00 C ATOM 390 O ASP A 27 12.266 4.129 -15.544 1.00 0.00 O ATOM 391 CB ASP A 27 10.022 5.633 -17.345 1.00 0.00 C ATOM 392 CG ASP A 27 8.527 5.654 -17.098 1.00 0.00 C ATOM 393 OD1 ASP A 27 7.994 4.638 -16.604 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.889 6.684 -17.399 1.00 0.00 O ATOM 0 H ASP A 27 10.466 7.965 -16.631 1.00 0.00 H new ATOM 0 HA ASP A 27 10.263 5.661 -15.210 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.267 6.345 -18.133 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.314 4.646 -17.705 1.00 0.00 H new ATOM 399 N TRP A 28 13.156 5.811 -16.744 1.00 0.00 N ATOM 400 CA TRP A 28 14.476 5.196 -16.831 1.00 0.00 C ATOM 401 C TRP A 28 15.131 5.119 -15.456 1.00 0.00 C ATOM 402 O TRP A 28 15.851 4.166 -15.154 1.00 0.00 O ATOM 403 CB TRP A 28 15.367 5.986 -17.790 1.00 0.00 C ATOM 404 CG TRP A 28 16.793 5.524 -17.794 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.301 4.440 -18.451 1.00 0.00 C ATOM 406 CD2 TRP A 28 17.892 6.131 -17.106 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.651 4.337 -18.214 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.037 5.362 -17.392 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.021 7.249 -16.278 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.292 5.678 -16.878 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.267 7.561 -15.769 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.389 6.778 -16.070 1.00 0.00 C ATOM 0 H TRP A 28 13.080 6.714 -17.211 1.00 0.00 H new ATOM 0 HA TRP A 28 14.353 4.182 -17.212 1.00 0.00 H new ATOM 0 HB2 TRP A 28 14.964 5.905 -18.799 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.335 7.041 -17.518 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.727 3.763 -19.066 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.265 3.615 -18.589 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.162 7.859 -16.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.158 5.076 -17.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.378 8.423 -15.128 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.349 7.048 -15.656 1.00 0.00 H new ATOM 423 N LEU A 29 14.878 6.125 -14.627 1.00 0.00 N ATOM 424 CA LEU A 29 15.444 6.171 -13.284 1.00 0.00 C ATOM 425 C LEU A 29 14.906 5.029 -12.427 1.00 0.00 C ATOM 426 O LEU A 29 15.661 4.164 -11.982 1.00 0.00 O ATOM 427 CB LEU A 29 15.127 7.513 -12.621 1.00 0.00 C ATOM 428 CG LEU A 29 15.682 8.754 -13.321 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.064 10.016 -12.738 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.198 8.798 -13.207 1.00 0.00 C ATOM 0 H LEU A 29 14.284 6.920 -14.861 1.00 0.00 H new ATOM 0 HA LEU A 29 16.525 6.060 -13.368 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.044 7.614 -12.550 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.512 7.492 -11.602 1.00 0.00 H new ATOM 0 HG LEU A 29 15.419 8.700 -14.378 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.471 10.889 -13.248 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.983 9.988 -12.873 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.295 10.077 -11.675 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.575 9.688 -13.711 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.483 8.828 -12.155 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.624 7.909 -13.673 1.00 0.00 H new ATOM 442 N LEU A 30 13.597 5.031 -12.202 1.00 0.00 N ATOM 443 CA LEU A 30 12.957 3.993 -11.401 1.00 0.00 C ATOM 444 C LEU A 30 13.297 2.605 -11.935 1.00 0.00 C ATOM 445 O LEU A 30 13.397 1.645 -11.173 1.00 0.00 O ATOM 446 CB LEU A 30 11.440 4.191 -11.393 1.00 0.00 C ATOM 447 CG LEU A 30 10.952 5.632 -11.241 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.898 6.425 -10.354 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.814 6.294 -12.604 1.00 0.00 C ATOM 0 H LEU A 30 12.958 5.739 -12.563 1.00 0.00 H new ATOM 0 HA LEU A 30 13.334 4.072 -10.381 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.036 3.788 -12.322 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.021 3.599 -10.580 1.00 0.00 H new ATOM 0 HG LEU A 30 9.971 5.615 -10.766 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.534 7.448 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.946 5.962 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.893 6.434 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.466 7.319 -12.477 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.782 6.299 -13.106 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.096 5.739 -13.207 1.00 0.00 H new ATOM 461 N GLU A 31 13.476 2.510 -13.249 1.00 0.00 N ATOM 462 CA GLU A 31 13.807 1.239 -13.884 1.00 0.00 C ATOM 463 C GLU A 31 15.053 0.625 -13.253 1.00 0.00 C ATOM 464 O GLU A 31 15.213 -0.595 -13.231 1.00 0.00 O ATOM 465 CB GLU A 31 14.026 1.436 -15.385 1.00 0.00 C ATOM 466 CG GLU A 31 14.629 0.224 -16.076 1.00 0.00 C ATOM 467 CD GLU A 31 13.610 -0.869 -16.333 1.00 0.00 C ATOM 468 OE1 GLU A 31 12.849 -0.750 -17.315 1.00 0.00 O ATOM 469 OE2 GLU A 31 13.574 -1.842 -15.552 1.00 0.00 O ATOM 0 H GLU A 31 13.398 3.296 -13.894 1.00 0.00 H new ATOM 0 HA GLU A 31 12.970 0.557 -13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.072 1.674 -15.855 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.680 2.294 -15.539 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.071 0.533 -17.023 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.437 -0.175 -15.462 1.00 0.00 H new ATOM 476 N ASN A 32 15.933 1.479 -12.741 1.00 0.00 N ATOM 477 CA ASN A 32 17.166 1.021 -12.111 1.00 0.00 C ATOM 478 C ASN A 32 17.161 1.334 -10.617 1.00 0.00 C ATOM 479 O ASN A 32 18.196 1.261 -9.955 1.00 0.00 O ATOM 480 CB ASN A 32 18.378 1.676 -12.777 1.00 0.00 C ATOM 481 CG ASN A 32 18.498 1.312 -14.244 1.00 0.00 C ATOM 482 OD1 ASN A 32 19.055 0.272 -14.594 1.00 0.00 O ATOM 483 ND2 ASN A 32 17.974 2.171 -15.111 1.00 0.00 N ATOM 0 H ASN A 32 15.815 2.492 -12.750 1.00 0.00 H new ATOM 0 HA ASN A 32 17.231 -0.060 -12.238 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.302 2.759 -12.679 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.285 1.372 -12.255 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.024 1.980 -16.112 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.521 3.021 -14.776 1.00 0.00 H new ATOM 490 N ALA A 33 15.990 1.681 -10.094 1.00 0.00 N ATOM 491 CA ALA A 33 15.850 2.001 -8.679 1.00 0.00 C ATOM 492 C ALA A 33 16.522 3.329 -8.348 1.00 0.00 C ATOM 493 O ALA A 33 17.301 3.422 -7.400 1.00 0.00 O ATOM 494 CB ALA A 33 16.432 0.885 -7.825 1.00 0.00 C ATOM 0 H ALA A 33 15.124 1.748 -10.629 1.00 0.00 H new ATOM 0 HA ALA A 33 14.787 2.096 -8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.320 1.138 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.904 -0.046 -8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.490 0.762 -8.059 1.00 0.00 H new ATOM 500 N MET A 34 16.218 4.355 -9.137 1.00 0.00 N ATOM 501 CA MET A 34 16.794 5.678 -8.927 1.00 0.00 C ATOM 502 C MET A 34 15.700 6.734 -8.806 1.00 0.00 C ATOM 503 O MET A 34 15.745 7.785 -9.447 1.00 0.00 O ATOM 504 CB MET A 34 17.739 6.034 -10.076 1.00 0.00 C ATOM 505 CG MET A 34 18.751 4.944 -10.390 1.00 0.00 C ATOM 506 SD MET A 34 20.250 5.589 -11.158 1.00 0.00 S ATOM 507 CE MET A 34 19.711 5.766 -12.857 1.00 0.00 C ATOM 0 H MET A 34 15.576 4.295 -9.927 1.00 0.00 H new ATOM 0 HA MET A 34 17.359 5.658 -7.995 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.150 6.240 -10.970 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.271 6.952 -9.827 1.00 0.00 H new ATOM 0 HG2 MET A 34 19.014 4.422 -9.470 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.294 4.210 -11.054 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.264 6.577 -13.331 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.896 4.837 -13.396 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.645 5.992 -12.879 1.00 0.00 H new ATOM 517 N PRO A 35 14.693 6.452 -7.967 1.00 0.00 N ATOM 518 CA PRO A 35 13.568 7.365 -7.744 1.00 0.00 C ATOM 519 C PRO A 35 13.983 8.619 -6.981 1.00 0.00 C ATOM 520 O PRO A 35 13.203 9.562 -6.850 1.00 0.00 O ATOM 521 CB PRO A 35 12.593 6.530 -6.911 1.00 0.00 C ATOM 522 CG PRO A 35 13.448 5.523 -6.222 1.00 0.00 C ATOM 523 CD PRO A 35 14.575 5.219 -7.170 1.00 0.00 C ATOM 0 HA PRO A 35 13.146 7.729 -8.681 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.055 7.149 -6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.845 6.049 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.827 5.914 -5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.880 4.622 -5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.499 4.995 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.351 4.356 -7.796 1.00 0.00 H new ATOM 531 N GLU A 36 15.214 8.621 -6.479 1.00 0.00 N ATOM 532 CA GLU A 36 15.730 9.759 -5.728 1.00 0.00 C ATOM 533 C GLU A 36 16.162 10.881 -6.668 1.00 0.00 C ATOM 534 O GLU A 36 16.194 12.050 -6.284 1.00 0.00 O ATOM 535 CB GLU A 36 16.909 9.329 -4.853 1.00 0.00 C ATOM 536 CG GLU A 36 18.057 8.717 -5.637 1.00 0.00 C ATOM 537 CD GLU A 36 18.856 7.720 -4.820 1.00 0.00 C ATOM 538 OE1 GLU A 36 18.265 7.071 -3.932 1.00 0.00 O ATOM 539 OE2 GLU A 36 20.073 7.590 -5.069 1.00 0.00 O ATOM 0 H GLU A 36 15.872 7.848 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 36 14.930 10.132 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.277 10.195 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.559 8.607 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.663 8.221 -6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.719 9.511 -5.983 1.00 0.00 H new ATOM 546 N TYR A 37 16.495 10.516 -7.901 1.00 0.00 N ATOM 547 CA TYR A 37 16.929 11.489 -8.896 1.00 0.00 C ATOM 548 C TYR A 37 15.753 11.962 -9.745 1.00 0.00 C ATOM 549 O TYR A 37 15.869 12.923 -10.507 1.00 0.00 O ATOM 550 CB TYR A 37 18.011 10.886 -9.793 1.00 0.00 C ATOM 551 CG TYR A 37 19.337 10.689 -9.094 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.095 11.777 -8.680 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.831 9.414 -8.846 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.307 11.602 -8.042 1.00 0.00 C ATOM 555 CE2 TYR A 37 21.042 9.229 -8.207 1.00 0.00 C ATOM 556 CZ TYR A 37 21.777 10.326 -7.808 1.00 0.00 C ATOM 557 OH TYR A 37 22.983 10.147 -7.171 1.00 0.00 O ATOM 0 H TYR A 37 16.473 9.553 -8.235 1.00 0.00 H new ATOM 0 HA TYR A 37 17.342 12.349 -8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.663 9.925 -10.172 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.158 11.534 -10.657 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.730 12.777 -8.860 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.259 8.553 -9.158 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.884 12.459 -7.728 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.411 8.231 -8.021 1.00 0.00 H new ATOM 0 HH TYR A 37 23.168 9.189 -7.083 1.00 0.00 H new ATOM 567 N CYS A 38 14.621 11.279 -9.608 1.00 0.00 N ATOM 568 CA CYS A 38 13.423 11.628 -10.363 1.00 0.00 C ATOM 569 C CYS A 38 12.980 13.054 -10.053 1.00 0.00 C ATOM 570 O CYS A 38 12.598 13.804 -10.951 1.00 0.00 O ATOM 571 CB CYS A 38 12.291 10.649 -10.043 1.00 0.00 C ATOM 572 SG CYS A 38 11.050 10.504 -11.349 1.00 0.00 S ATOM 0 H CYS A 38 14.508 10.482 -8.982 1.00 0.00 H new ATOM 0 HA CYS A 38 13.661 11.564 -11.425 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.719 9.665 -9.852 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.800 10.966 -9.123 1.00 0.00 H new ATOM 0 HG CYS A 38 10.136 9.653 -10.987 1.00 0.00 H new ATOM 578 N GLU A 39 13.034 13.421 -8.776 1.00 0.00 N ATOM 579 CA GLU A 39 12.637 14.757 -8.349 1.00 0.00 C ATOM 580 C GLU A 39 13.386 15.826 -9.140 1.00 0.00 C ATOM 581 O GLU A 39 12.790 16.660 -9.822 1.00 0.00 O ATOM 582 CB GLU A 39 12.900 14.937 -6.852 1.00 0.00 C ATOM 583 CG GLU A 39 11.694 14.628 -5.981 1.00 0.00 C ATOM 584 CD GLU A 39 12.044 14.541 -4.508 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.979 15.249 -4.079 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.385 13.765 -3.785 1.00 0.00 O ATOM 0 H GLU A 39 13.348 12.812 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 39 11.570 14.869 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.726 14.290 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.217 15.964 -6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.939 15.400 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.251 13.685 -6.302 1.00 0.00 H new ATOM 593 N PRO A 40 14.723 15.802 -9.046 1.00 0.00 N ATOM 594 CA PRO A 40 15.583 16.761 -9.746 1.00 0.00 C ATOM 595 C PRO A 40 15.587 16.543 -11.255 1.00 0.00 C ATOM 596 O PRO A 40 15.890 17.456 -12.024 1.00 0.00 O ATOM 597 CB PRO A 40 16.971 16.485 -9.162 1.00 0.00 C ATOM 598 CG PRO A 40 16.915 15.069 -8.705 1.00 0.00 C ATOM 599 CD PRO A 40 15.500 14.836 -8.251 1.00 0.00 C ATOM 0 HA PRO A 40 15.244 17.788 -9.609 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.751 16.629 -9.910 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.194 17.159 -8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.183 14.387 -9.512 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.620 14.893 -7.892 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.181 13.811 -8.440 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.387 15.013 -7.181 1.00 0.00 H new ATOM 607 N LEU A 41 15.247 15.329 -11.673 1.00 0.00 N ATOM 608 CA LEU A 41 15.212 14.991 -13.092 1.00 0.00 C ATOM 609 C LEU A 41 13.776 14.931 -13.602 1.00 0.00 C ATOM 610 O LEU A 41 13.515 14.423 -14.692 1.00 0.00 O ATOM 611 CB LEU A 41 15.908 13.650 -13.334 1.00 0.00 C ATOM 612 CG LEU A 41 17.366 13.559 -12.883 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.851 12.119 -12.931 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.248 14.450 -13.745 1.00 0.00 C ATOM 0 H LEU A 41 14.992 14.563 -11.050 1.00 0.00 H new ATOM 0 HA LEU A 41 15.740 15.772 -13.640 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.341 12.872 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.864 13.428 -14.400 1.00 0.00 H new ATOM 0 HG LEU A 41 17.429 13.908 -11.852 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.891 12.074 -12.607 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.238 11.506 -12.270 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.773 11.742 -13.951 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.282 14.372 -13.409 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.179 14.133 -14.785 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.915 15.484 -13.659 1.00 0.00 H new ATOM 626 N GLU A 42 12.848 15.454 -12.806 1.00 0.00 N ATOM 627 CA GLU A 42 11.438 15.461 -13.179 1.00 0.00 C ATOM 628 C GLU A 42 11.232 16.165 -14.517 1.00 0.00 C ATOM 629 O GLU A 42 10.571 15.639 -15.412 1.00 0.00 O ATOM 630 CB GLU A 42 10.605 16.148 -12.095 1.00 0.00 C ATOM 631 CG GLU A 42 10.995 17.596 -11.854 1.00 0.00 C ATOM 632 CD GLU A 42 10.522 18.112 -10.509 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.354 17.853 -10.151 1.00 0.00 O ATOM 634 OE2 GLU A 42 11.320 18.775 -9.814 1.00 0.00 O ATOM 0 H GLU A 42 13.047 15.878 -11.900 1.00 0.00 H new ATOM 0 HA GLU A 42 11.110 14.426 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.553 16.106 -12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.708 15.593 -11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.079 17.691 -11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.576 18.218 -12.645 1.00 0.00 H new ATOM 641 N HIS A 43 11.804 17.358 -14.645 1.00 0.00 N ATOM 642 CA HIS A 43 11.683 18.135 -15.874 1.00 0.00 C ATOM 643 C HIS A 43 12.972 18.067 -16.688 1.00 0.00 C ATOM 644 O HIS A 43 13.295 18.991 -17.436 1.00 0.00 O ATOM 645 CB HIS A 43 11.347 19.591 -15.550 1.00 0.00 C ATOM 646 CG HIS A 43 10.152 19.746 -14.660 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.007 20.790 -13.771 1.00 0.00 N ATOM 648 CD2 HIS A 43 9.042 18.983 -14.527 1.00 0.00 C ATOM 649 CE1 HIS A 43 8.860 20.661 -13.128 1.00 0.00 C ATOM 650 NE2 HIS A 43 8.255 19.573 -13.569 1.00 0.00 N ATOM 0 H HIS A 43 12.355 17.807 -13.914 1.00 0.00 H new ATOM 0 HA HIS A 43 10.876 17.707 -16.468 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.209 20.056 -15.072 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.169 20.130 -16.481 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.817 18.079 -15.073 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.481 21.331 -12.371 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.350 19.227 -13.250 1.00 0.00 H new ATOM 658 N PHE A 44 13.704 16.969 -16.538 1.00 0.00 N ATOM 659 CA PHE A 44 14.959 16.782 -17.257 1.00 0.00 C ATOM 660 C PHE A 44 14.736 15.987 -18.541 1.00 0.00 C ATOM 661 O PHE A 44 13.853 15.131 -18.610 1.00 0.00 O ATOM 662 CB PHE A 44 15.978 16.064 -16.370 1.00 0.00 C ATOM 663 CG PHE A 44 16.859 16.999 -15.592 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.312 17.898 -14.690 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.234 16.979 -15.762 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.121 18.760 -13.974 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.047 17.839 -15.048 1.00 0.00 C ATOM 668 CZ PHE A 44 18.490 18.730 -14.152 1.00 0.00 C ATOM 0 H PHE A 44 13.450 16.194 -15.925 1.00 0.00 H new ATOM 0 HA PHE A 44 15.348 17.765 -17.521 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.448 15.414 -15.674 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.602 15.423 -16.993 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.242 17.925 -14.545 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.675 16.283 -16.460 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.682 19.457 -13.275 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.117 17.814 -15.191 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.124 19.402 -13.592 1.00 0.00 H new ATOM 678 N THR A 45 15.543 16.276 -19.556 1.00 0.00 N ATOM 679 CA THR A 45 15.434 15.592 -20.839 1.00 0.00 C ATOM 680 C THR A 45 16.662 14.730 -21.108 1.00 0.00 C ATOM 681 O THR A 45 17.779 15.089 -20.736 1.00 0.00 O ATOM 682 CB THR A 45 15.260 16.593 -21.996 1.00 0.00 C ATOM 683 OG1 THR A 45 16.118 17.722 -21.801 1.00 0.00 O ATOM 684 CG2 THR A 45 13.815 17.059 -22.096 1.00 0.00 C ATOM 0 H THR A 45 16.280 16.980 -19.515 1.00 0.00 H new ATOM 0 HA THR A 45 14.551 14.955 -20.784 1.00 0.00 H new ATOM 0 HB THR A 45 15.528 16.090 -22.925 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.002 18.353 -22.542 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.717 17.765 -22.920 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.167 16.201 -22.275 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.524 17.545 -21.165 1.00 0.00 H new ATOM 692 N GLY A 46 16.448 13.589 -21.757 1.00 0.00 N ATOM 693 CA GLY A 46 17.547 12.693 -22.065 1.00 0.00 C ATOM 694 C GLY A 46 18.842 13.434 -22.332 1.00 0.00 C ATOM 695 O GLY A 46 19.914 12.993 -21.917 1.00 0.00 O ATOM 0 H GLY A 46 15.533 13.270 -22.075 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.692 12.002 -21.235 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.289 12.093 -22.938 1.00 0.00 H new ATOM 699 N GLN A 47 18.744 14.563 -23.027 1.00 0.00 N ATOM 700 CA GLN A 47 19.918 15.365 -23.351 1.00 0.00 C ATOM 701 C GLN A 47 20.519 15.982 -22.092 1.00 0.00 C ATOM 702 O GLN A 47 21.727 15.902 -21.866 1.00 0.00 O ATOM 703 CB GLN A 47 19.551 16.465 -24.347 1.00 0.00 C ATOM 704 CG GLN A 47 20.743 17.285 -24.815 1.00 0.00 C ATOM 705 CD GLN A 47 21.475 16.641 -25.975 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.001 16.660 -27.111 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.639 16.066 -25.694 1.00 0.00 N ATOM 0 H GLN A 47 17.864 14.943 -23.376 1.00 0.00 H new ATOM 0 HA GLN A 47 20.662 14.709 -23.803 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.069 16.013 -25.214 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.821 17.131 -23.887 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.403 18.277 -25.111 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.435 17.420 -23.984 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.994 16.074 -24.738 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.178 15.617 -26.434 1.00 0.00 H new ATOM 716 N ASP A 48 19.670 16.598 -21.277 1.00 0.00 N ATOM 717 CA ASP A 48 20.117 17.227 -20.040 1.00 0.00 C ATOM 718 C ASP A 48 20.602 16.181 -19.042 1.00 0.00 C ATOM 719 O ASP A 48 21.551 16.414 -18.293 1.00 0.00 O ATOM 720 CB ASP A 48 18.986 18.052 -19.425 1.00 0.00 C ATOM 721 CG ASP A 48 18.834 19.409 -20.084 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.051 19.500 -21.310 1.00 0.00 O ATOM 723 OD2 ASP A 48 18.498 20.380 -19.374 1.00 0.00 O ATOM 0 H ASP A 48 18.668 16.675 -21.451 1.00 0.00 H new ATOM 0 HA ASP A 48 20.950 17.888 -20.278 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.049 17.502 -19.513 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.177 18.188 -18.360 1.00 0.00 H new ATOM 728 N LEU A 49 19.943 15.027 -19.036 1.00 0.00 N ATOM 729 CA LEU A 49 20.307 13.943 -18.129 1.00 0.00 C ATOM 730 C LEU A 49 21.721 13.448 -18.412 1.00 0.00 C ATOM 731 O LEU A 49 22.516 13.253 -17.493 1.00 0.00 O ATOM 732 CB LEU A 49 19.313 12.788 -18.261 1.00 0.00 C ATOM 733 CG LEU A 49 19.735 11.464 -17.622 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.519 10.707 -17.109 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.514 10.616 -18.616 1.00 0.00 C ATOM 0 H LEU A 49 19.155 14.818 -19.648 1.00 0.00 H new ATOM 0 HA LEU A 49 20.275 14.328 -17.110 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.366 13.097 -17.818 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.127 12.614 -19.321 1.00 0.00 H new ATOM 0 HG LEU A 49 20.385 11.683 -16.775 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.839 9.768 -16.658 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.003 11.311 -16.363 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.843 10.499 -17.939 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.806 9.678 -18.144 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.889 10.406 -19.484 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.406 11.155 -18.934 1.00 0.00 H new ATOM 747 N ILE A 50 22.028 13.248 -19.689 1.00 0.00 N ATOM 748 CA ILE A 50 23.348 12.779 -20.093 1.00 0.00 C ATOM 749 C ILE A 50 24.401 13.863 -19.893 1.00 0.00 C ATOM 750 O ILE A 50 25.588 13.572 -19.755 1.00 0.00 O ATOM 751 CB ILE A 50 23.361 12.333 -21.567 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.194 13.542 -22.490 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.263 11.311 -21.820 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.913 13.396 -23.813 1.00 0.00 C ATOM 0 H ILE A 50 21.381 13.403 -20.462 1.00 0.00 H new ATOM 0 HA ILE A 50 23.585 11.923 -19.461 1.00 0.00 H new ATOM 0 HB ILE A 50 24.322 11.866 -21.782 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.132 13.701 -22.678 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.564 14.432 -21.981 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.285 11.005 -22.866 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.423 10.440 -21.184 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.294 11.754 -21.592 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.751 14.290 -24.416 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.981 13.267 -23.635 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.526 12.526 -24.343 1.00 0.00 H new ATOM 766 N ASN A 51 23.957 15.116 -19.876 1.00 0.00 N ATOM 767 CA ASN A 51 24.862 16.245 -19.692 1.00 0.00 C ATOM 768 C ASN A 51 25.149 16.477 -18.212 1.00 0.00 C ATOM 769 O ASN A 51 25.579 17.560 -17.813 1.00 0.00 O ATOM 770 CB ASN A 51 24.264 17.510 -20.311 1.00 0.00 C ATOM 771 CG ASN A 51 24.483 17.579 -21.810 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.378 16.928 -22.349 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.663 18.371 -22.492 1.00 0.00 N ATOM 0 H ASN A 51 22.977 15.375 -19.987 1.00 0.00 H new ATOM 0 HA ASN A 51 25.801 16.011 -20.194 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.195 17.544 -20.101 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.709 18.387 -19.841 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.762 18.458 -23.504 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.935 18.893 -22.004 1.00 0.00 H new ATOM 780 N LEU A 52 24.908 15.452 -17.401 1.00 0.00 N ATOM 781 CA LEU A 52 25.142 15.543 -15.964 1.00 0.00 C ATOM 782 C LEU A 52 26.559 15.101 -15.614 1.00 0.00 C ATOM 783 O LEU A 52 27.059 14.105 -16.139 1.00 0.00 O ATOM 784 CB LEU A 52 24.126 14.685 -15.207 1.00 0.00 C ATOM 785 CG LEU A 52 22.695 15.221 -15.163 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.835 14.373 -14.238 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.684 16.676 -14.720 1.00 0.00 C ATOM 0 H LEU A 52 24.551 14.549 -17.714 1.00 0.00 H new ATOM 0 HA LEU A 52 25.022 16.585 -15.666 1.00 0.00 H new ATOM 0 HB2 LEU A 52 24.108 13.694 -15.661 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.477 14.560 -14.183 1.00 0.00 H new ATOM 0 HG LEU A 52 22.276 15.165 -16.167 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.820 14.770 -14.220 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.816 13.345 -14.600 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.252 14.396 -13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.657 17.041 -14.694 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.123 16.757 -13.725 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.264 17.275 -15.422 1.00 0.00 H new ATOM 799 N THR A 53 27.202 15.847 -14.721 1.00 0.00 N ATOM 800 CA THR A 53 28.561 15.532 -14.298 1.00 0.00 C ATOM 801 C THR A 53 28.709 15.654 -12.786 1.00 0.00 C ATOM 802 O THR A 53 27.959 16.382 -12.138 1.00 0.00 O ATOM 803 CB THR A 53 29.589 16.454 -14.980 1.00 0.00 C ATOM 804 OG1 THR A 53 29.273 17.825 -14.710 1.00 0.00 O ATOM 805 CG2 THR A 53 29.614 16.220 -16.483 1.00 0.00 C ATOM 0 H THR A 53 26.803 16.674 -14.277 1.00 0.00 H new ATOM 0 HA THR A 53 28.754 14.502 -14.596 1.00 0.00 H new ATOM 0 HB THR A 53 30.575 16.223 -14.577 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.932 18.405 -15.146 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.348 16.883 -16.942 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.884 15.184 -16.685 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.628 16.426 -16.900 1.00 0.00 H new ATOM 813 N GLN A 54 29.682 14.938 -12.232 1.00 0.00 N ATOM 814 CA GLN A 54 29.928 14.968 -10.795 1.00 0.00 C ATOM 815 C GLN A 54 29.896 16.398 -10.266 1.00 0.00 C ATOM 816 O GLN A 54 29.525 16.637 -9.118 1.00 0.00 O ATOM 817 CB GLN A 54 31.277 14.323 -10.473 1.00 0.00 C ATOM 818 CG GLN A 54 31.357 13.748 -9.068 1.00 0.00 C ATOM 819 CD GLN A 54 32.291 12.558 -8.976 1.00 0.00 C ATOM 820 OE1 GLN A 54 31.877 11.413 -9.162 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.561 12.822 -8.690 1.00 0.00 N ATOM 0 H GLN A 54 30.312 14.331 -12.756 1.00 0.00 H new ATOM 0 HA GLN A 54 29.136 14.401 -10.305 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.471 13.528 -11.193 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.065 15.066 -10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.695 14.524 -8.381 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.360 13.448 -8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 54 33.861 13.786 -8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.236 12.061 -8.617 1.00 0.00 H new ATOM 830 N GLU A 55 30.289 17.345 -11.113 1.00 0.00 N ATOM 831 CA GLU A 55 30.305 18.752 -10.729 1.00 0.00 C ATOM 832 C GLU A 55 28.886 19.282 -10.546 1.00 0.00 C ATOM 833 O GLU A 55 28.627 20.102 -9.664 1.00 0.00 O ATOM 834 CB GLU A 55 31.038 19.583 -11.784 1.00 0.00 C ATOM 835 CG GLU A 55 32.229 18.869 -12.401 1.00 0.00 C ATOM 836 CD GLU A 55 33.170 19.816 -13.120 1.00 0.00 C ATOM 837 OE1 GLU A 55 32.708 20.535 -14.030 1.00 0.00 O ATOM 838 OE2 GLU A 55 34.369 19.839 -12.771 1.00 0.00 O ATOM 0 H GLU A 55 30.600 17.164 -12.067 1.00 0.00 H new ATOM 0 HA GLU A 55 30.832 18.837 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 55 30.337 19.852 -12.574 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.378 20.513 -11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 55 32.777 18.343 -11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 55 31.872 18.115 -13.103 1.00 0.00 H new ATOM 845 N ASP A 56 27.971 18.809 -11.385 1.00 0.00 N ATOM 846 CA ASP A 56 26.577 19.234 -11.315 1.00 0.00 C ATOM 847 C ASP A 56 25.941 18.798 -9.999 1.00 0.00 C ATOM 848 O ASP A 56 24.910 19.332 -9.589 1.00 0.00 O ATOM 849 CB ASP A 56 25.788 18.659 -12.493 1.00 0.00 C ATOM 850 CG ASP A 56 26.071 19.389 -13.791 1.00 0.00 C ATOM 851 OD1 ASP A 56 27.240 19.765 -14.016 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.124 19.584 -14.581 1.00 0.00 O ATOM 0 H ASP A 56 28.169 18.131 -12.121 1.00 0.00 H new ATOM 0 HA ASP A 56 26.551 20.322 -11.366 1.00 0.00 H new ATOM 0 HB2 ASP A 56 26.035 17.604 -12.612 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.722 18.714 -12.274 1.00 0.00 H new ATOM 857 N PHE A 57 26.562 17.825 -9.341 1.00 0.00 N ATOM 858 CA PHE A 57 26.056 17.317 -8.072 1.00 0.00 C ATOM 859 C PHE A 57 26.331 18.305 -6.942 1.00 0.00 C ATOM 860 O PHE A 57 25.502 18.495 -6.052 1.00 0.00 O ATOM 861 CB PHE A 57 26.695 15.964 -7.748 1.00 0.00 C ATOM 862 CG PHE A 57 26.114 14.824 -8.535 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.503 14.601 -9.846 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.181 13.975 -7.963 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.970 13.553 -10.573 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.645 12.924 -8.685 1.00 0.00 C ATOM 867 CZ PHE A 57 25.041 12.713 -9.991 1.00 0.00 C ATOM 0 H PHE A 57 27.417 17.373 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 57 24.978 17.189 -8.165 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.766 16.021 -7.942 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.575 15.760 -6.684 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.231 15.253 -10.305 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.868 14.135 -6.942 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.280 13.391 -11.595 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.918 12.269 -8.228 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.625 11.892 -10.556 1.00 0.00 H new ATOM 877 N LYS A 58 27.502 18.931 -6.984 1.00 0.00 N ATOM 878 CA LYS A 58 27.889 19.901 -5.966 1.00 0.00 C ATOM 879 C LYS A 58 26.827 20.986 -5.817 1.00 0.00 C ATOM 880 O LYS A 58 26.721 21.626 -4.771 1.00 0.00 O ATOM 881 CB LYS A 58 29.235 20.535 -6.322 1.00 0.00 C ATOM 882 CG LYS A 58 30.267 19.536 -6.814 1.00 0.00 C ATOM 883 CD LYS A 58 31.683 20.047 -6.603 1.00 0.00 C ATOM 884 CE LYS A 58 32.035 21.141 -7.599 1.00 0.00 C ATOM 885 NZ LYS A 58 31.599 22.484 -7.124 1.00 0.00 N ATOM 0 H LYS A 58 28.200 18.784 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 58 27.982 19.376 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.079 21.291 -7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 58 29.628 21.049 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.139 18.590 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 58 30.105 19.336 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.785 20.431 -5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 58 32.388 19.221 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 58 33.112 21.147 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 58 31.564 20.924 -8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 30.889 22.870 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 31.184 22.398 -6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 32.419 23.122 -7.087 1.00 0.00 H new ATOM 899 N LYS A 59 26.041 21.187 -6.869 1.00 0.00 N ATOM 900 CA LYS A 59 24.985 22.192 -6.855 1.00 0.00 C ATOM 901 C LYS A 59 23.646 21.581 -7.256 1.00 0.00 C ATOM 902 O LYS A 59 23.580 20.488 -7.819 1.00 0.00 O ATOM 903 CB LYS A 59 25.336 23.343 -7.801 1.00 0.00 C ATOM 904 CG LYS A 59 26.288 22.946 -8.916 1.00 0.00 C ATOM 905 CD LYS A 59 26.282 23.964 -10.044 1.00 0.00 C ATOM 906 CE LYS A 59 26.728 23.342 -11.358 1.00 0.00 C ATOM 907 NZ LYS A 59 28.202 23.440 -11.546 1.00 0.00 N ATOM 0 H LYS A 59 26.116 20.667 -7.743 1.00 0.00 H new ATOM 0 HA LYS A 59 24.898 22.578 -5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.418 23.734 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 59 25.783 24.153 -7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.298 22.850 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.005 21.968 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.280 24.377 -10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 59 26.942 24.794 -9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 59 26.427 22.295 -11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.222 23.840 -12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 28.466 23.005 -12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 28.486 24.440 -11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 28.685 22.943 -10.770 1.00 0.00 H new ATOM 921 N PRO A 60 22.554 22.301 -6.962 1.00 0.00 N ATOM 922 CA PRO A 60 21.197 21.850 -7.285 1.00 0.00 C ATOM 923 C PRO A 60 20.923 21.865 -8.785 1.00 0.00 C ATOM 924 O PRO A 60 21.673 22.444 -9.572 1.00 0.00 O ATOM 925 CB PRO A 60 20.305 22.866 -6.568 1.00 0.00 C ATOM 926 CG PRO A 60 21.143 24.092 -6.454 1.00 0.00 C ATOM 927 CD PRO A 60 22.559 23.612 -6.291 1.00 0.00 C ATOM 0 HA PRO A 60 21.026 20.819 -6.975 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.393 23.061 -7.133 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.000 22.502 -5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.043 24.717 -7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 60 20.835 24.697 -5.601 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.271 24.297 -6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 60 22.835 23.525 -5.240 1.00 0.00 H new ATOM 935 N PRO A 61 19.823 21.215 -9.193 1.00 0.00 N ATOM 936 CA PRO A 61 18.924 20.522 -8.266 1.00 0.00 C ATOM 937 C PRO A 61 19.560 19.271 -7.667 1.00 0.00 C ATOM 938 O PRO A 61 19.238 18.874 -6.547 1.00 0.00 O ATOM 939 CB PRO A 61 17.729 20.145 -9.145 1.00 0.00 C ATOM 940 CG PRO A 61 18.283 20.072 -10.526 1.00 0.00 C ATOM 941 CD PRO A 61 19.372 21.107 -10.590 1.00 0.00 C ATOM 0 HA PRO A 61 18.662 21.145 -7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.299 19.191 -8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.936 20.889 -9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.677 19.078 -10.737 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.510 20.272 -11.268 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.182 20.798 -11.251 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.999 22.060 -10.967 1.00 0.00 H new ATOM 949 N LEU A 62 20.464 18.655 -8.421 1.00 0.00 N ATOM 950 CA LEU A 62 21.147 17.450 -7.964 1.00 0.00 C ATOM 951 C LEU A 62 22.196 17.785 -6.909 1.00 0.00 C ATOM 952 O LEU A 62 23.302 18.218 -7.235 1.00 0.00 O ATOM 953 CB LEU A 62 21.805 16.734 -9.145 1.00 0.00 C ATOM 954 CG LEU A 62 20.899 16.441 -10.341 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.705 16.427 -11.631 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.174 15.117 -10.149 1.00 0.00 C ATOM 0 H LEU A 62 20.741 18.970 -9.351 1.00 0.00 H new ATOM 0 HA LEU A 62 20.405 16.790 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.644 17.339 -9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.218 15.791 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 62 20.154 17.234 -10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.043 16.217 -12.471 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.177 17.399 -11.775 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.473 15.655 -11.572 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.534 14.925 -11.010 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.904 14.313 -10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.564 15.163 -9.247 1.00 0.00 H new ATOM 968 N TYR A 63 21.843 17.581 -5.645 1.00 0.00 N ATOM 969 CA TYR A 63 22.755 17.861 -4.542 1.00 0.00 C ATOM 970 C TYR A 63 22.586 16.839 -3.422 1.00 0.00 C ATOM 971 O TYR A 63 21.474 16.595 -2.952 1.00 0.00 O ATOM 972 CB TYR A 63 22.515 19.272 -4.001 1.00 0.00 C ATOM 973 CG TYR A 63 23.465 19.664 -2.891 1.00 0.00 C ATOM 974 CD1 TYR A 63 24.840 19.559 -3.058 1.00 0.00 C ATOM 975 CD2 TYR A 63 22.986 20.138 -1.676 1.00 0.00 C ATOM 976 CE1 TYR A 63 25.711 19.915 -2.046 1.00 0.00 C ATOM 977 CE2 TYR A 63 23.850 20.498 -0.660 1.00 0.00 C ATOM 978 CZ TYR A 63 25.211 20.385 -0.850 1.00 0.00 C ATOM 979 OH TYR A 63 26.075 20.741 0.161 1.00 0.00 O ATOM 0 H TYR A 63 20.932 17.223 -5.358 1.00 0.00 H new ATOM 0 HA TYR A 63 23.775 17.792 -4.920 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.610 19.987 -4.819 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.491 19.342 -3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.235 19.193 -3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 63 21.921 20.226 -1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 63 26.777 19.826 -2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.462 20.866 0.278 1.00 0.00 H new ATOM 0 HH TYR A 63 25.562 21.053 0.935 1.00 0.00 H new ATOM 989 N ARG A 64 23.697 16.244 -3.000 1.00 0.00 N ATOM 990 CA ARG A 64 23.673 15.247 -1.937 1.00 0.00 C ATOM 991 C ARG A 64 22.384 14.432 -1.985 1.00 0.00 C ATOM 992 O ARG A 64 21.765 14.168 -0.954 1.00 0.00 O ATOM 993 CB ARG A 64 23.810 15.923 -0.571 1.00 0.00 C ATOM 994 CG ARG A 64 23.102 17.264 -0.481 1.00 0.00 C ATOM 995 CD ARG A 64 23.013 17.752 0.957 1.00 0.00 C ATOM 996 NE ARG A 64 21.927 17.105 1.688 1.00 0.00 N ATOM 997 CZ ARG A 64 21.348 17.632 2.761 1.00 0.00 C ATOM 998 NH1 ARG A 64 21.748 18.808 3.225 1.00 0.00 N ATOM 999 NH2 ARG A 64 20.366 16.983 3.373 1.00 0.00 N ATOM 0 H ARG A 64 24.625 16.435 -3.378 1.00 0.00 H new ATOM 0 HA ARG A 64 24.516 14.572 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.410 15.259 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.868 16.065 -0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.635 17.999 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.099 17.176 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 64 23.958 17.558 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.863 18.832 0.965 1.00 0.00 H new ATOM 0 HE ARG A 64 21.595 16.199 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.502 19.311 2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 64 21.301 19.210 4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.055 16.078 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.922 17.389 4.197 1.00 0.00 H new ATOM 1013 N VAL A 65 21.984 14.037 -3.190 1.00 0.00 N ATOM 1014 CA VAL A 65 20.770 13.250 -3.373 1.00 0.00 C ATOM 1015 C VAL A 65 20.964 11.819 -2.885 1.00 0.00 C ATOM 1016 O VAL A 65 20.007 11.153 -2.487 1.00 0.00 O ATOM 1017 CB VAL A 65 20.337 13.223 -4.850 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.028 12.465 -5.009 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.211 14.638 -5.395 1.00 0.00 C ATOM 0 H VAL A 65 22.483 14.249 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 65 19.990 13.729 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 65 21.103 12.703 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 65 18.738 12.456 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.156 11.440 -4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.251 12.954 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 65 19.904 14.599 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.466 15.185 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.173 15.145 -5.318 1.00 0.00 H new ATOM 1029 N SER A 66 22.207 11.352 -2.917 1.00 0.00 N ATOM 1030 CA SER A 66 22.527 9.997 -2.481 1.00 0.00 C ATOM 1031 C SER A 66 23.810 9.980 -1.656 1.00 0.00 C ATOM 1032 O SER A 66 24.560 10.956 -1.635 1.00 0.00 O ATOM 1033 CB SER A 66 22.672 9.071 -3.690 1.00 0.00 C ATOM 1034 OG SER A 66 23.165 7.800 -3.302 1.00 0.00 O ATOM 0 H SER A 66 23.010 11.891 -3.240 1.00 0.00 H new ATOM 0 HA SER A 66 21.709 9.640 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.706 8.955 -4.182 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.348 9.520 -4.417 1.00 0.00 H new ATOM 0 HG SER A 66 23.247 7.226 -4.092 1.00 0.00 H new ATOM 1040 N SER A 67 24.054 8.864 -0.976 1.00 0.00 N ATOM 1041 CA SER A 67 25.244 8.720 -0.147 1.00 0.00 C ATOM 1042 C SER A 67 26.397 8.124 -0.949 1.00 0.00 C ATOM 1043 O SER A 67 27.348 7.584 -0.383 1.00 0.00 O ATOM 1044 CB SER A 67 24.942 7.838 1.066 1.00 0.00 C ATOM 1045 OG SER A 67 24.340 8.589 2.106 1.00 0.00 O ATOM 0 H SER A 67 23.443 8.047 -0.983 1.00 0.00 H new ATOM 0 HA SER A 67 25.539 9.711 0.197 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.280 7.024 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 67 25.864 7.384 1.428 1.00 0.00 H new ATOM 0 HG SER A 67 24.156 8.002 2.869 1.00 0.00 H new ATOM 1051 N ASP A 68 26.304 8.226 -2.270 1.00 0.00 N ATOM 1052 CA ASP A 68 27.339 7.699 -3.152 1.00 0.00 C ATOM 1053 C ASP A 68 27.983 8.819 -3.964 1.00 0.00 C ATOM 1054 O ASP A 68 28.425 8.606 -5.092 1.00 0.00 O ATOM 1055 CB ASP A 68 26.751 6.645 -4.091 1.00 0.00 C ATOM 1056 CG ASP A 68 26.370 5.371 -3.364 1.00 0.00 C ATOM 1057 OD1 ASP A 68 27.254 4.510 -3.173 1.00 0.00 O ATOM 1058 OD2 ASP A 68 25.187 5.233 -2.987 1.00 0.00 O ATOM 0 H ASP A 68 25.523 8.669 -2.754 1.00 0.00 H new ATOM 0 HA ASP A 68 28.107 7.235 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 68 25.871 7.054 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.476 6.412 -4.871 1.00 0.00 H new ATOM 1063 N ASN A 69 28.032 10.013 -3.382 1.00 0.00 N ATOM 1064 CA ASN A 69 28.619 11.167 -4.052 1.00 0.00 C ATOM 1065 C ASN A 69 28.204 11.213 -5.520 1.00 0.00 C ATOM 1066 O ASN A 69 28.997 11.569 -6.390 1.00 0.00 O ATOM 1067 CB ASN A 69 30.145 11.124 -3.944 1.00 0.00 C ATOM 1068 CG ASN A 69 30.774 10.224 -4.990 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.780 9.001 -4.849 1.00 0.00 O ATOM 1070 ND2 ASN A 69 31.307 10.827 -6.046 1.00 0.00 N ATOM 0 H ASN A 69 27.672 10.206 -2.447 1.00 0.00 H new ATOM 0 HA ASN A 69 28.251 12.067 -3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.543 12.133 -4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.426 10.774 -2.951 1.00 0.00 H new ATOM 0 HD21 ASN A 69 31.745 10.273 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 69 31.279 11.844 -6.121 1.00 0.00 H new ATOM 1077 N GLY A 70 26.953 10.850 -5.786 1.00 0.00 N ATOM 1078 CA GLY A 70 26.453 10.857 -7.149 1.00 0.00 C ATOM 1079 C GLY A 70 27.209 9.901 -8.049 1.00 0.00 C ATOM 1080 O GLY A 70 27.459 10.204 -9.216 1.00 0.00 O ATOM 0 H GLY A 70 26.277 10.551 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.396 10.590 -7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.525 11.866 -7.554 1.00 0.00 H new ATOM 1084 N GLN A 71 27.576 8.745 -7.507 1.00 0.00 N ATOM 1085 CA GLN A 71 28.311 7.743 -8.269 1.00 0.00 C ATOM 1086 C GLN A 71 27.356 6.823 -9.023 1.00 0.00 C ATOM 1087 O GLN A 71 27.460 6.667 -10.240 1.00 0.00 O ATOM 1088 CB GLN A 71 29.204 6.918 -7.340 1.00 0.00 C ATOM 1089 CG GLN A 71 29.732 5.643 -7.977 1.00 0.00 C ATOM 1090 CD GLN A 71 30.772 5.912 -9.046 1.00 0.00 C ATOM 1091 OE1 GLN A 71 31.974 5.890 -8.779 1.00 0.00 O ATOM 1092 NE2 GLN A 71 30.315 6.167 -10.267 1.00 0.00 N ATOM 0 H GLN A 71 27.376 8.479 -6.543 1.00 0.00 H new ATOM 0 HA GLN A 71 28.936 8.263 -8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.047 7.531 -7.021 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.641 6.660 -6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.166 5.008 -7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 71 28.901 5.089 -8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.311 6.175 -10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 71 30.969 6.355 -11.027 1.00 0.00 H new ATOM 1101 N ARG A 72 26.426 6.217 -8.293 1.00 0.00 N ATOM 1102 CA ARG A 72 25.454 5.311 -8.892 1.00 0.00 C ATOM 1103 C ARG A 72 24.878 5.903 -10.175 1.00 0.00 C ATOM 1104 O ARG A 72 24.887 5.262 -11.227 1.00 0.00 O ATOM 1105 CB ARG A 72 24.325 5.013 -7.904 1.00 0.00 C ATOM 1106 CG ARG A 72 23.369 3.931 -8.379 1.00 0.00 C ATOM 1107 CD ARG A 72 22.690 3.235 -7.210 1.00 0.00 C ATOM 1108 NE ARG A 72 23.625 2.412 -6.446 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.355 1.920 -5.242 1.00 0.00 C ATOM 1110 NH1 ARG A 72 22.185 2.165 -4.668 1.00 0.00 N ATOM 1111 NH2 ARG A 72 24.257 1.180 -4.609 1.00 0.00 N ATOM 0 H ARG A 72 26.325 6.337 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 72 25.966 4.381 -9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.758 4.710 -6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.762 5.929 -7.722 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.614 4.371 -9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.914 3.198 -8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.244 3.982 -6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.877 2.611 -7.582 1.00 0.00 H new ATOM 0 HE ARG A 72 24.534 2.204 -6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.489 2.733 -5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.981 1.786 -3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.158 0.989 -5.047 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.049 0.803 -3.685 1.00 0.00 H new ATOM 1125 N LEU A 73 24.377 7.130 -10.082 1.00 0.00 N ATOM 1126 CA LEU A 73 23.795 7.809 -11.234 1.00 0.00 C ATOM 1127 C LEU A 73 24.844 8.043 -12.316 1.00 0.00 C ATOM 1128 O LEU A 73 24.720 7.544 -13.435 1.00 0.00 O ATOM 1129 CB LEU A 73 23.179 9.143 -10.808 1.00 0.00 C ATOM 1130 CG LEU A 73 22.502 9.953 -11.914 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.453 9.114 -12.626 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.878 11.218 -11.342 1.00 0.00 C ATOM 0 H LEU A 73 24.362 7.675 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 73 23.013 7.169 -11.644 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.445 8.948 -10.026 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.962 9.757 -10.363 1.00 0.00 H new ATOM 0 HG LEU A 73 23.260 10.242 -12.642 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.982 9.708 -13.410 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.927 8.238 -13.070 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.696 8.793 -11.910 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.401 11.782 -12.143 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.133 10.950 -10.593 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.653 11.829 -10.880 1.00 0.00 H new ATOM 1144 N LEU A 74 25.879 8.803 -11.974 1.00 0.00 N ATOM 1145 CA LEU A 74 26.952 9.103 -12.915 1.00 0.00 C ATOM 1146 C LEU A 74 27.321 7.868 -13.732 1.00 0.00 C ATOM 1147 O LEU A 74 27.567 7.958 -14.935 1.00 0.00 O ATOM 1148 CB LEU A 74 28.183 9.620 -12.168 1.00 0.00 C ATOM 1149 CG LEU A 74 28.205 11.119 -11.868 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.486 11.500 -11.143 1.00 0.00 C ATOM 1151 CD2 LEU A 74 28.057 11.923 -13.152 1.00 0.00 C ATOM 0 H LEU A 74 25.998 9.223 -11.052 1.00 0.00 H new ATOM 0 HA LEU A 74 26.598 9.875 -13.597 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.264 9.080 -11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 74 29.069 9.374 -12.754 1.00 0.00 H new ATOM 0 HG LEU A 74 27.361 11.352 -11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.483 12.571 -10.938 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.550 10.951 -10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.345 11.252 -11.767 1.00 0.00 H new ATOM 0 HD21 LEU A 74 28.075 12.988 -12.919 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.879 11.686 -13.827 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.111 11.672 -13.631 1.00 0.00 H new ATOM 1163 N ASP A 75 27.354 6.716 -13.071 1.00 0.00 N ATOM 1164 CA ASP A 75 27.688 5.462 -13.736 1.00 0.00 C ATOM 1165 C ASP A 75 26.554 5.014 -14.652 1.00 0.00 C ATOM 1166 O ASP A 75 26.789 4.570 -15.776 1.00 0.00 O ATOM 1167 CB ASP A 75 27.986 4.375 -12.702 1.00 0.00 C ATOM 1168 CG ASP A 75 28.983 3.352 -13.208 1.00 0.00 C ATOM 1169 OD1 ASP A 75 28.587 2.486 -14.015 1.00 0.00 O ATOM 1170 OD2 ASP A 75 30.161 3.418 -12.797 1.00 0.00 O ATOM 0 H ASP A 75 27.153 6.625 -12.075 1.00 0.00 H new ATOM 0 HA ASP A 75 28.578 5.627 -14.344 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.374 4.838 -11.794 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.058 3.871 -12.432 1.00 0.00 H new ATOM 1175 N MET A 76 25.324 5.132 -14.163 1.00 0.00 N ATOM 1176 CA MET A 76 24.153 4.739 -14.939 1.00 0.00 C ATOM 1177 C MET A 76 24.012 5.604 -16.187 1.00 0.00 C ATOM 1178 O MET A 76 23.470 5.163 -17.201 1.00 0.00 O ATOM 1179 CB MET A 76 22.889 4.847 -14.084 1.00 0.00 C ATOM 1180 CG MET A 76 22.681 3.663 -13.153 1.00 0.00 C ATOM 1181 SD MET A 76 22.573 2.095 -14.038 1.00 0.00 S ATOM 1182 CE MET A 76 21.369 2.500 -15.300 1.00 0.00 C ATOM 0 H MET A 76 25.112 5.496 -13.234 1.00 0.00 H new ATOM 0 HA MET A 76 24.285 3.703 -15.250 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.938 5.760 -13.491 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.023 4.939 -14.740 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.504 3.617 -12.440 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.768 3.814 -12.577 1.00 0.00 H new ATOM 0 HE1 MET A 76 20.932 1.582 -15.693 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.584 3.120 -14.868 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.858 3.044 -16.108 1.00 0.00 H new ATOM 1192 N ILE A 77 24.503 6.836 -16.106 1.00 0.00 N ATOM 1193 CA ILE A 77 24.432 7.761 -17.230 1.00 0.00 C ATOM 1194 C ILE A 77 25.630 7.593 -18.158 1.00 0.00 C ATOM 1195 O ILE A 77 25.482 7.560 -19.379 1.00 0.00 O ATOM 1196 CB ILE A 77 24.369 9.224 -16.752 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.190 9.421 -15.796 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.256 10.166 -17.942 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.122 10.808 -15.198 1.00 0.00 C ATOM 0 H ILE A 77 24.954 7.216 -15.274 1.00 0.00 H new ATOM 0 HA ILE A 77 23.518 7.525 -17.775 1.00 0.00 H new ATOM 0 HB ILE A 77 25.290 9.456 -16.216 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.262 9.219 -16.330 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.260 8.690 -14.991 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.212 11.196 -17.588 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.124 10.041 -18.589 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.350 9.937 -18.503 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.262 10.875 -14.531 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.034 11.007 -14.635 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.020 11.544 -15.996 1.00 0.00 H new ATOM 1211 N GLU A 78 26.817 7.484 -17.569 1.00 0.00 N ATOM 1212 CA GLU A 78 28.041 7.315 -18.344 1.00 0.00 C ATOM 1213 C GLU A 78 27.820 6.354 -19.508 1.00 0.00 C ATOM 1214 O GLU A 78 28.368 6.540 -20.595 1.00 0.00 O ATOM 1215 CB GLU A 78 29.170 6.799 -17.449 1.00 0.00 C ATOM 1216 CG GLU A 78 30.554 7.226 -17.909 1.00 0.00 C ATOM 1217 CD GLU A 78 31.631 6.234 -17.514 1.00 0.00 C ATOM 1218 OE1 GLU A 78 32.126 6.319 -16.371 1.00 0.00 O ATOM 1219 OE2 GLU A 78 31.978 5.373 -18.349 1.00 0.00 O ATOM 0 H GLU A 78 26.957 7.510 -16.559 1.00 0.00 H new ATOM 0 HA GLU A 78 28.322 8.288 -18.748 1.00 0.00 H new ATOM 0 HB2 GLU A 78 29.008 7.156 -16.432 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.127 5.710 -17.415 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.553 7.343 -18.993 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.790 8.201 -17.483 1.00 0.00 H new ATOM 1226 N THR A 79 27.012 5.325 -19.273 1.00 0.00 N ATOM 1227 CA THR A 79 26.718 4.334 -20.301 1.00 0.00 C ATOM 1228 C THR A 79 25.760 4.893 -21.347 1.00 0.00 C ATOM 1229 O THR A 79 25.842 4.547 -22.526 1.00 0.00 O ATOM 1230 CB THR A 79 26.108 3.057 -19.692 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.326 1.945 -20.567 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.617 3.234 -19.449 1.00 0.00 C ATOM 0 H THR A 79 26.549 5.156 -18.380 1.00 0.00 H new ATOM 0 HA THR A 79 27.665 4.083 -20.778 1.00 0.00 H new ATOM 0 HB THR A 79 26.596 2.867 -18.736 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.937 1.137 -20.172 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.207 2.320 -19.019 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.457 4.063 -18.760 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.117 3.446 -20.394 1.00 0.00 H new ATOM 1240 N LEU A 80 24.853 5.758 -20.908 1.00 0.00 N ATOM 1241 CA LEU A 80 23.878 6.366 -21.807 1.00 0.00 C ATOM 1242 C LEU A 80 24.572 7.209 -22.873 1.00 0.00 C ATOM 1243 O LEU A 80 24.000 7.495 -23.924 1.00 0.00 O ATOM 1244 CB LEU A 80 22.896 7.231 -21.016 1.00 0.00 C ATOM 1245 CG LEU A 80 22.024 6.497 -19.997 1.00 0.00 C ATOM 1246 CD1 LEU A 80 20.931 7.413 -19.471 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.421 5.244 -20.616 1.00 0.00 C ATOM 0 H LEU A 80 24.772 6.054 -19.935 1.00 0.00 H new ATOM 0 HA LEU A 80 23.329 5.566 -22.303 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.462 8.001 -20.492 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.242 7.742 -21.723 1.00 0.00 H new ATOM 0 HG LEU A 80 22.653 6.198 -19.158 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.321 6.873 -18.747 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.383 8.280 -18.989 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.304 7.744 -20.299 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.803 4.734 -19.877 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.807 5.521 -21.473 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.220 4.579 -20.942 1.00 0.00 H new ATOM 1259 N LYS A 81 25.810 7.603 -22.594 1.00 0.00 N ATOM 1260 CA LYS A 81 26.585 8.411 -23.529 1.00 0.00 C ATOM 1261 C LYS A 81 27.470 7.531 -24.405 1.00 0.00 C ATOM 1262 O LYS A 81 27.402 7.593 -25.632 1.00 0.00 O ATOM 1263 CB LYS A 81 27.446 9.422 -22.768 1.00 0.00 C ATOM 1264 CG LYS A 81 26.651 10.571 -22.171 1.00 0.00 C ATOM 1265 CD LYS A 81 26.285 10.301 -20.721 1.00 0.00 C ATOM 1266 CE LYS A 81 27.329 10.863 -19.769 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.714 10.564 -20.225 1.00 0.00 N ATOM 0 H LYS A 81 26.298 7.376 -21.728 1.00 0.00 H new ATOM 0 HA LYS A 81 25.887 8.948 -24.172 1.00 0.00 H new ATOM 0 HB2 LYS A 81 27.977 8.905 -21.969 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.200 9.825 -23.444 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.234 11.490 -22.235 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.743 10.728 -22.753 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.314 10.745 -20.501 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.188 9.227 -20.563 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.200 11.942 -19.684 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.176 10.445 -18.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.392 10.858 -19.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.810 9.543 -20.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.909 11.082 -21.105 1.00 0.00 H new ATOM 1281 N MET A 82 28.299 6.711 -23.767 1.00 0.00 N ATOM 1282 CA MET A 82 29.196 5.817 -24.489 1.00 0.00 C ATOM 1283 C MET A 82 28.551 5.327 -25.781 1.00 0.00 C ATOM 1284 O MET A 82 29.233 5.105 -26.781 1.00 0.00 O ATOM 1285 CB MET A 82 29.578 4.624 -23.611 1.00 0.00 C ATOM 1286 CG MET A 82 28.638 3.438 -23.755 1.00 0.00 C ATOM 1287 SD MET A 82 29.309 1.929 -23.033 1.00 0.00 S ATOM 1288 CE MET A 82 29.476 2.419 -21.318 1.00 0.00 C ATOM 0 H MET A 82 28.368 6.647 -22.751 1.00 0.00 H new ATOM 0 HA MET A 82 30.097 6.375 -24.743 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.590 4.308 -23.863 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.593 4.941 -22.568 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.687 3.673 -23.277 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.431 3.270 -24.812 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.467 2.144 -20.956 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.345 3.498 -21.233 1.00 0.00 H new ATOM 0 HE3 MET A 82 28.718 1.913 -20.720 1.00 0.00 H new