USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 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 54 GLN : amide:sc= 0 X(o=-0.015,f=-0.21) USER MOD Set 1.2: A 58 LYS NZ :NH3+ -164:sc= -0.0147 (180deg=-0.347) USER MOD Set 2.1: A 32 ASN : amide:sc= 0.102 X(o=-0.049,f=-0.31) USER MOD Set 2.2: A 76 MET CE :methyl -148:sc= -0.151 (180deg=-0.731) USER MOD Single : A 15 LYS NZ :NH3+ -152:sc= -0.22 (180deg=-0.861) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.672 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 34 MET CE :methyl 151:sc= -0.782 (180deg=-1.13) USER MOD Single : A 37 TYR OH : rot -134:sc= -0.991 USER MOD Single : A 38 CYS SG : rot 180:sc= -2.26! USER MOD Single : A 43 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.4) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.3) USER MOD Single : A 51 ASN : amide:sc= -0.745 K(o=-0.75,f=-1.4!) USER MOD Single : A 53 THR OG1 : rot 1:sc= -0.239 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 170:sc= -0.165 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.246 X(o=-0.25,f=0.0012) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= 0.853 (180deg=-0.219!) USER MOD Single : A 82 MET CE :methyl 170:sc= -0.836 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.075 4.833 -27.773 1.00 0.00 N ATOM 179 CA LYS A 15 21.265 5.308 -28.468 1.00 0.00 C ATOM 180 C LYS A 15 21.342 6.831 -28.435 1.00 0.00 C ATOM 181 O LYS A 15 22.429 7.405 -28.369 1.00 0.00 O ATOM 182 CB LYS A 15 21.263 4.818 -29.918 1.00 0.00 C ATOM 183 CG LYS A 15 21.897 3.450 -30.098 1.00 0.00 C ATOM 184 CD LYS A 15 21.022 2.349 -29.522 1.00 0.00 C ATOM 185 CE LYS A 15 21.263 1.021 -30.222 1.00 0.00 C ATOM 186 NZ LYS A 15 20.933 1.091 -31.673 1.00 0.00 N ATOM 0 HA LYS A 15 22.140 4.906 -27.956 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.235 4.783 -30.280 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.795 5.540 -30.538 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.067 3.264 -31.158 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.872 3.433 -29.611 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.225 2.242 -28.456 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.973 2.628 -29.620 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.307 0.730 -30.100 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.659 0.246 -29.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.648 0.149 -32.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.152 1.762 -31.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.768 1.411 -32.204 1.00 0.00 H new ATOM 200 N GLU A 16 20.182 7.479 -28.481 1.00 0.00 N ATOM 201 CA GLU A 16 20.120 8.936 -28.455 1.00 0.00 C ATOM 202 C GLU A 16 19.946 9.448 -27.028 1.00 0.00 C ATOM 203 O GLU A 16 20.714 10.289 -26.560 1.00 0.00 O ATOM 204 CB GLU A 16 18.970 9.435 -29.332 1.00 0.00 C ATOM 205 CG GLU A 16 17.829 8.441 -29.464 1.00 0.00 C ATOM 206 CD GLU A 16 16.562 9.075 -30.003 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.594 9.593 -31.139 1.00 0.00 O ATOM 208 OE2 GLU A 16 15.538 9.054 -29.288 1.00 0.00 O ATOM 0 H GLU A 16 19.273 7.019 -28.536 1.00 0.00 H new ATOM 0 HA GLU A 16 21.061 9.321 -28.848 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.584 10.365 -28.915 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.356 9.666 -30.325 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.134 7.629 -30.125 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.623 7.999 -28.489 1.00 0.00 H new ATOM 215 N VAL A 17 18.929 8.936 -26.342 1.00 0.00 N ATOM 216 CA VAL A 17 18.653 9.339 -24.969 1.00 0.00 C ATOM 217 C VAL A 17 18.827 10.844 -24.793 1.00 0.00 C ATOM 218 O VAL A 17 19.090 11.324 -23.690 1.00 0.00 O ATOM 219 CB VAL A 17 19.573 8.608 -23.973 1.00 0.00 C ATOM 220 CG1 VAL A 17 20.986 9.164 -24.043 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.018 8.713 -22.560 1.00 0.00 C ATOM 0 H VAL A 17 18.283 8.241 -26.715 1.00 0.00 H new ATOM 0 HA VAL A 17 17.618 9.068 -24.762 1.00 0.00 H new ATOM 0 HB VAL A 17 19.611 7.554 -24.247 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.621 8.635 -23.332 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.380 9.031 -25.051 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.972 10.226 -23.796 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.680 8.191 -21.869 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.949 9.762 -22.273 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.027 8.261 -22.524 1.00 0.00 H new ATOM 231 N VAL A 18 18.676 11.583 -25.887 1.00 0.00 N ATOM 232 CA VAL A 18 18.815 13.034 -25.854 1.00 0.00 C ATOM 233 C VAL A 18 17.508 13.720 -26.236 1.00 0.00 C ATOM 234 O VAL A 18 17.143 14.748 -25.664 1.00 0.00 O ATOM 235 CB VAL A 18 19.930 13.514 -26.802 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.292 13.070 -26.293 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.686 12.999 -28.213 1.00 0.00 C ATOM 0 H VAL A 18 18.457 11.201 -26.807 1.00 0.00 H new ATOM 0 HA VAL A 18 19.078 13.303 -24.831 1.00 0.00 H new ATOM 0 HB VAL A 18 19.917 14.604 -26.829 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.067 13.418 -26.976 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.465 13.491 -25.303 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.322 11.982 -26.235 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.483 13.347 -28.870 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.672 11.909 -28.205 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.728 13.371 -28.576 1.00 0.00 H new ATOM 247 N TYR A 19 16.806 13.144 -27.206 1.00 0.00 N ATOM 248 CA TYR A 19 15.540 13.701 -27.667 1.00 0.00 C ATOM 249 C TYR A 19 14.377 13.174 -26.832 1.00 0.00 C ATOM 250 O TYR A 19 13.213 13.440 -27.131 1.00 0.00 O ATOM 251 CB TYR A 19 15.317 13.363 -29.142 1.00 0.00 C ATOM 252 CG TYR A 19 16.564 13.495 -29.988 1.00 0.00 C ATOM 253 CD1 TYR A 19 16.946 14.725 -30.510 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.359 12.390 -30.266 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.084 14.850 -31.284 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.498 12.506 -31.038 1.00 0.00 C ATOM 257 CZ TYR A 19 18.857 13.738 -31.544 1.00 0.00 C ATOM 258 OH TYR A 19 19.991 13.857 -32.315 1.00 0.00 O ATOM 0 H TYR A 19 17.092 12.292 -27.688 1.00 0.00 H new ATOM 0 HA TYR A 19 15.585 14.784 -27.552 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.942 12.343 -29.220 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.544 14.018 -29.544 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.343 15.598 -30.307 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.081 11.424 -29.872 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.366 15.813 -31.683 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.105 11.637 -31.245 1.00 0.00 H new ATOM 0 HH TYR A 19 20.421 12.981 -32.401 1.00 0.00 H new ATOM 268 N TRP A 20 14.701 12.425 -25.784 1.00 0.00 N ATOM 269 CA TRP A 20 13.684 11.860 -24.905 1.00 0.00 C ATOM 270 C TRP A 20 12.775 12.952 -24.351 1.00 0.00 C ATOM 271 O TRP A 20 12.977 14.136 -24.622 1.00 0.00 O ATOM 272 CB TRP A 20 14.342 11.096 -23.755 1.00 0.00 C ATOM 273 CG TRP A 20 14.778 9.713 -24.134 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.682 9.132 -25.366 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.376 8.737 -23.273 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.185 7.854 -25.324 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.617 7.588 -24.052 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.732 8.722 -21.922 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.197 6.438 -23.521 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.308 7.581 -21.397 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.536 6.452 -22.196 1.00 0.00 C ATOM 0 H TRP A 20 15.660 12.195 -25.522 1.00 0.00 H new ATOM 0 HA TRP A 20 13.077 11.170 -25.490 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.207 11.658 -23.403 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.642 11.033 -22.922 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.271 9.607 -26.244 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.229 7.208 -26.112 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.560 9.587 -21.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.373 5.566 -24.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.587 7.559 -20.354 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.989 5.575 -21.756 1.00 0.00 H new ATOM 292 N SER A 21 11.775 12.547 -23.575 1.00 0.00 N ATOM 293 CA SER A 21 10.834 13.492 -22.986 1.00 0.00 C ATOM 294 C SER A 21 11.052 13.610 -21.481 1.00 0.00 C ATOM 295 O SER A 21 11.767 12.817 -20.868 1.00 0.00 O ATOM 296 CB SER A 21 9.395 13.057 -23.272 1.00 0.00 C ATOM 297 OG SER A 21 8.786 12.515 -22.113 1.00 0.00 O ATOM 0 H SER A 21 11.596 11.571 -23.340 1.00 0.00 H new ATOM 0 HA SER A 21 11.008 14.469 -23.438 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.817 13.911 -23.625 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.388 12.315 -24.071 1.00 0.00 H new ATOM 0 HG SER A 21 7.867 12.246 -22.322 1.00 0.00 H new ATOM 303 N PRO A 22 10.421 14.623 -20.870 1.00 0.00 N ATOM 304 CA PRO A 22 10.529 14.869 -19.429 1.00 0.00 C ATOM 305 C PRO A 22 9.821 13.801 -18.603 1.00 0.00 C ATOM 306 O PRO A 22 10.014 13.709 -17.390 1.00 0.00 O ATOM 307 CB PRO A 22 9.844 16.226 -19.248 1.00 0.00 C ATOM 308 CG PRO A 22 8.896 16.327 -20.393 1.00 0.00 C ATOM 309 CD PRO A 22 9.552 15.606 -21.538 1.00 0.00 C ATOM 0 HA PRO A 22 11.565 14.850 -19.090 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.320 16.281 -18.294 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.569 17.040 -19.261 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.936 15.875 -20.146 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.701 17.369 -20.648 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.817 15.121 -22.181 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.125 16.288 -22.166 1.00 0.00 H new ATOM 317 N LYS A 23 8.999 12.995 -19.267 1.00 0.00 N ATOM 318 CA LYS A 23 8.263 11.931 -18.595 1.00 0.00 C ATOM 319 C LYS A 23 8.989 10.596 -18.731 1.00 0.00 C ATOM 320 O LYS A 23 8.805 9.691 -17.917 1.00 0.00 O ATOM 321 CB LYS A 23 6.851 11.815 -19.175 1.00 0.00 C ATOM 322 CG LYS A 23 5.832 12.698 -18.474 1.00 0.00 C ATOM 323 CD LYS A 23 5.392 12.098 -17.149 1.00 0.00 C ATOM 324 CE LYS A 23 4.445 13.027 -16.405 1.00 0.00 C ATOM 325 NZ LYS A 23 4.036 12.463 -15.089 1.00 0.00 N ATOM 0 H LYS A 23 8.826 13.059 -20.270 1.00 0.00 H new ATOM 0 HA LYS A 23 8.197 12.183 -17.537 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.879 12.076 -20.233 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.525 10.777 -19.111 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.261 13.685 -18.303 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.964 12.835 -19.118 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.901 11.141 -17.327 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.267 11.897 -16.531 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.928 13.992 -16.252 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.559 13.207 -17.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.391 13.125 -14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.552 11.554 -15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.879 12.315 -14.498 1.00 0.00 H new ATOM 339 N LYS A 24 9.818 10.481 -19.763 1.00 0.00 N ATOM 340 CA LYS A 24 10.575 9.259 -20.005 1.00 0.00 C ATOM 341 C LYS A 24 11.815 9.203 -19.119 1.00 0.00 C ATOM 342 O LYS A 24 12.043 8.219 -18.414 1.00 0.00 O ATOM 343 CB LYS A 24 10.982 9.169 -21.477 1.00 0.00 C ATOM 344 CG LYS A 24 12.207 8.305 -21.718 1.00 0.00 C ATOM 345 CD LYS A 24 12.009 6.895 -21.186 1.00 0.00 C ATOM 346 CE LYS A 24 13.306 6.101 -21.213 1.00 0.00 C ATOM 347 NZ LYS A 24 13.067 4.643 -21.029 1.00 0.00 N ATOM 0 H LYS A 24 9.983 11.221 -20.446 1.00 0.00 H new ATOM 0 HA LYS A 24 9.936 8.411 -19.759 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.147 8.769 -22.052 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.176 10.173 -21.853 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.421 8.265 -22.786 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.073 8.758 -21.236 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.630 6.940 -20.165 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.255 6.382 -21.783 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.815 6.269 -22.162 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.970 6.462 -20.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.975 4.137 -21.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.604 4.480 -20.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.455 4.292 -21.793 1.00 0.00 H new ATOM 361 N VAL A 25 12.614 10.265 -19.158 1.00 0.00 N ATOM 362 CA VAL A 25 13.830 10.337 -18.358 1.00 0.00 C ATOM 363 C VAL A 25 13.612 9.739 -16.972 1.00 0.00 C ATOM 364 O VAL A 25 14.518 9.138 -16.395 1.00 0.00 O ATOM 365 CB VAL A 25 14.317 11.790 -18.207 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.556 11.850 -17.326 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.594 12.403 -19.572 1.00 0.00 C ATOM 0 H VAL A 25 12.440 11.087 -19.736 1.00 0.00 H new ATOM 0 HA VAL A 25 14.590 9.760 -18.884 1.00 0.00 H new ATOM 0 HB VAL A 25 13.530 12.370 -17.726 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.885 12.885 -17.231 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.320 11.452 -16.339 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.351 11.256 -17.776 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.937 13.430 -19.447 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.363 11.823 -20.082 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.680 12.396 -20.166 1.00 0.00 H new ATOM 377 N ALA A 26 12.405 9.908 -16.444 1.00 0.00 N ATOM 378 CA ALA A 26 12.067 9.384 -15.127 1.00 0.00 C ATOM 379 C ALA A 26 11.954 7.863 -15.154 1.00 0.00 C ATOM 380 O ALA A 26 12.689 7.164 -14.457 1.00 0.00 O ATOM 381 CB ALA A 26 10.769 10.002 -14.629 1.00 0.00 C ATOM 0 H ALA A 26 11.644 10.404 -16.908 1.00 0.00 H new ATOM 0 HA ALA A 26 12.870 9.651 -14.440 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.529 9.601 -13.644 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.883 11.084 -14.562 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.963 9.764 -15.323 1.00 0.00 H new ATOM 387 N ASP A 27 11.029 7.358 -15.963 1.00 0.00 N ATOM 388 CA ASP A 27 10.820 5.919 -16.081 1.00 0.00 C ATOM 389 C ASP A 27 12.152 5.175 -16.084 1.00 0.00 C ATOM 390 O ASP A 27 12.268 4.089 -15.516 1.00 0.00 O ATOM 391 CB ASP A 27 10.040 5.599 -17.357 1.00 0.00 C ATOM 392 CG ASP A 27 8.541 5.598 -17.134 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.115 5.456 -15.969 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.793 5.739 -18.125 1.00 0.00 O ATOM 0 H ASP A 27 10.412 7.923 -16.547 1.00 0.00 H new ATOM 0 HA ASP A 27 10.242 5.588 -15.218 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.290 6.331 -18.125 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.349 4.624 -17.733 1.00 0.00 H new ATOM 399 N TRP A 28 13.153 5.766 -16.727 1.00 0.00 N ATOM 400 CA TRP A 28 14.476 5.159 -16.803 1.00 0.00 C ATOM 401 C TRP A 28 15.117 5.072 -15.422 1.00 0.00 C ATOM 402 O TRP A 28 15.772 4.083 -15.092 1.00 0.00 O ATOM 403 CB TRP A 28 15.375 5.962 -17.746 1.00 0.00 C ATOM 404 CG TRP A 28 16.785 5.457 -17.796 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.231 4.331 -18.428 1.00 0.00 C ATOM 406 CD2 TRP A 28 17.933 6.059 -17.188 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.586 4.197 -18.250 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.041 5.245 -17.493 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.132 7.207 -16.417 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.328 5.544 -17.053 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.410 7.503 -15.981 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.494 6.674 -16.300 1.00 0.00 C ATOM 0 H TRP A 28 13.073 6.665 -17.203 1.00 0.00 H new ATOM 0 HA TRP A 28 14.362 4.148 -17.194 1.00 0.00 H new ATOM 0 HB2 TRP A 28 14.952 5.936 -18.750 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.381 7.005 -17.430 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.609 3.647 -18.986 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.161 3.440 -18.621 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.302 7.851 -16.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.165 4.907 -17.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.576 8.388 -15.385 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.480 6.932 -15.944 1.00 0.00 H new ATOM 423 N LEU A 29 14.923 6.113 -14.619 1.00 0.00 N ATOM 424 CA LEU A 29 15.483 6.154 -13.272 1.00 0.00 C ATOM 425 C LEU A 29 14.900 5.042 -12.407 1.00 0.00 C ATOM 426 O LEU A 29 15.622 4.156 -11.947 1.00 0.00 O ATOM 427 CB LEU A 29 15.210 7.514 -12.627 1.00 0.00 C ATOM 428 CG LEU A 29 15.783 8.730 -13.357 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.092 10.003 -12.895 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.286 8.825 -13.135 1.00 0.00 C ATOM 0 H LEU A 29 14.383 6.939 -14.877 1.00 0.00 H new ATOM 0 HA LEU A 29 16.560 6.004 -13.347 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.131 7.643 -12.540 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.612 7.501 -11.614 1.00 0.00 H new ATOM 0 HG LEU A 29 15.601 8.609 -14.425 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.512 10.858 -13.425 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.025 9.935 -13.105 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.243 10.130 -11.823 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.677 9.696 -13.661 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.491 8.923 -12.069 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.768 7.924 -13.516 1.00 0.00 H new ATOM 442 N LEU A 30 13.590 5.093 -12.190 1.00 0.00 N ATOM 443 CA LEU A 30 12.909 4.088 -11.381 1.00 0.00 C ATOM 444 C LEU A 30 13.236 2.681 -11.872 1.00 0.00 C ATOM 445 O LEU A 30 13.272 1.733 -11.088 1.00 0.00 O ATOM 446 CB LEU A 30 11.397 4.315 -11.417 1.00 0.00 C ATOM 447 CG LEU A 30 10.932 5.763 -11.263 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.862 6.526 -10.333 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.854 6.446 -12.620 1.00 0.00 C ATOM 0 H LEU A 30 12.979 5.819 -12.563 1.00 0.00 H new ATOM 0 HA LEU A 30 13.260 4.185 -10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.014 3.930 -12.362 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.942 3.722 -10.624 1.00 0.00 H new ATOM 0 HG LEU A 30 9.935 5.759 -10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.515 7.555 -10.235 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.867 6.050 -9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.872 6.521 -10.744 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.521 7.476 -12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.838 6.439 -13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.146 5.913 -13.255 1.00 0.00 H new ATOM 461 N GLU A 31 13.474 2.554 -13.173 1.00 0.00 N ATOM 462 CA GLU A 31 13.800 1.263 -13.767 1.00 0.00 C ATOM 463 C GLU A 31 15.057 0.674 -13.134 1.00 0.00 C ATOM 464 O GLU A 31 15.243 -0.542 -13.112 1.00 0.00 O ATOM 465 CB GLU A 31 13.995 1.406 -15.278 1.00 0.00 C ATOM 466 CG GLU A 31 14.516 0.145 -15.947 1.00 0.00 C ATOM 467 CD GLU A 31 13.599 -1.045 -15.743 1.00 0.00 C ATOM 468 OE1 GLU A 31 12.375 -0.834 -15.611 1.00 0.00 O ATOM 469 OE2 GLU A 31 14.105 -2.186 -15.716 1.00 0.00 O ATOM 0 H GLU A 31 13.447 3.329 -13.836 1.00 0.00 H new ATOM 0 HA GLU A 31 12.968 0.585 -13.578 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.044 1.683 -15.734 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.690 2.223 -15.470 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.636 0.328 -17.015 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.504 -0.090 -15.551 1.00 0.00 H new ATOM 476 N ASN A 32 15.918 1.547 -12.621 1.00 0.00 N ATOM 477 CA ASN A 32 17.159 1.114 -11.988 1.00 0.00 C ATOM 478 C ASN A 32 17.183 1.507 -10.514 1.00 0.00 C ATOM 479 O ASN A 32 18.248 1.599 -9.903 1.00 0.00 O ATOM 480 CB ASN A 32 18.363 1.723 -12.710 1.00 0.00 C ATOM 481 CG ASN A 32 18.379 1.391 -14.190 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.746 0.285 -14.585 1.00 0.00 O ATOM 483 ND2 ASN A 32 17.979 2.352 -15.015 1.00 0.00 N ATOM 0 H ASN A 32 15.780 2.558 -12.631 1.00 0.00 H new ATOM 0 HA ASN A 32 17.214 0.028 -12.057 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.350 2.806 -12.583 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.281 1.360 -12.249 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.968 2.188 -16.022 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.683 3.254 -14.642 1.00 0.00 H new ATOM 490 N ALA A 33 16.003 1.738 -9.949 1.00 0.00 N ATOM 491 CA ALA A 33 15.888 2.118 -8.547 1.00 0.00 C ATOM 492 C ALA A 33 16.582 3.449 -8.280 1.00 0.00 C ATOM 493 O ALA A 33 17.423 3.553 -7.387 1.00 0.00 O ATOM 494 CB ALA A 33 16.469 1.029 -7.656 1.00 0.00 C ATOM 0 H ALA A 33 15.112 1.669 -10.441 1.00 0.00 H new ATOM 0 HA ALA A 33 14.830 2.237 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.377 1.326 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.926 0.098 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.521 0.882 -7.900 1.00 0.00 H new ATOM 500 N MET A 34 16.227 4.463 -9.061 1.00 0.00 N ATOM 501 CA MET A 34 16.817 5.788 -8.909 1.00 0.00 C ATOM 502 C MET A 34 15.734 6.858 -8.806 1.00 0.00 C ATOM 503 O MET A 34 15.778 7.886 -9.482 1.00 0.00 O ATOM 504 CB MET A 34 17.744 6.095 -10.086 1.00 0.00 C ATOM 505 CG MET A 34 18.677 4.949 -10.440 1.00 0.00 C ATOM 506 SD MET A 34 20.235 5.515 -11.150 1.00 0.00 S ATOM 507 CE MET A 34 19.764 5.740 -12.864 1.00 0.00 C ATOM 0 H MET A 34 15.534 4.393 -9.806 1.00 0.00 H new ATOM 0 HA MET A 34 17.398 5.796 -7.987 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.140 6.343 -10.959 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.339 6.977 -9.849 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.882 4.363 -9.544 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.179 4.286 -11.148 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.377 6.523 -13.310 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.914 4.807 -13.408 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.714 6.027 -12.918 1.00 0.00 H new ATOM 517 N PRO A 35 14.737 6.611 -7.943 1.00 0.00 N ATOM 518 CA PRO A 35 13.624 7.541 -7.733 1.00 0.00 C ATOM 519 C PRO A 35 14.060 8.816 -7.018 1.00 0.00 C ATOM 520 O PRO A 35 13.355 9.824 -7.043 1.00 0.00 O ATOM 521 CB PRO A 35 12.654 6.743 -6.859 1.00 0.00 C ATOM 522 CG PRO A 35 13.512 5.752 -6.150 1.00 0.00 C ATOM 523 CD PRO A 35 14.621 5.406 -7.105 1.00 0.00 C ATOM 0 HA PRO A 35 13.192 7.878 -8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.131 7.390 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.893 6.248 -7.462 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.910 6.171 -5.226 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.940 4.865 -5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.551 5.191 -6.580 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.379 4.525 -7.699 1.00 0.00 H new ATOM 531 N GLU A 36 15.226 8.763 -6.382 1.00 0.00 N ATOM 532 CA GLU A 36 15.754 9.913 -5.659 1.00 0.00 C ATOM 533 C GLU A 36 16.169 11.020 -6.625 1.00 0.00 C ATOM 534 O GLU A 36 16.196 12.196 -6.263 1.00 0.00 O ATOM 535 CB GLU A 36 16.949 9.498 -4.798 1.00 0.00 C ATOM 536 CG GLU A 36 18.090 8.887 -5.595 1.00 0.00 C ATOM 537 CD GLU A 36 18.057 7.371 -5.589 1.00 0.00 C ATOM 538 OE1 GLU A 36 17.063 6.796 -6.080 1.00 0.00 O ATOM 539 OE2 GLU A 36 19.028 6.759 -5.095 1.00 0.00 O ATOM 0 H GLU A 36 15.822 7.936 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 36 14.965 10.296 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.319 10.371 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.615 8.780 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.042 9.244 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.040 9.228 -5.183 1.00 0.00 H new ATOM 546 N TYR A 37 16.491 10.633 -7.854 1.00 0.00 N ATOM 547 CA TYR A 37 16.908 11.591 -8.872 1.00 0.00 C ATOM 548 C TYR A 37 15.725 12.016 -9.737 1.00 0.00 C ATOM 549 O TYR A 37 15.823 12.961 -10.520 1.00 0.00 O ATOM 550 CB TYR A 37 18.006 10.988 -9.750 1.00 0.00 C ATOM 551 CG TYR A 37 19.309 10.760 -9.019 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.070 11.830 -8.564 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.780 9.474 -8.782 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.262 11.626 -7.896 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.970 9.261 -8.113 1.00 0.00 C ATOM 556 CZ TYR A 37 21.707 10.340 -7.673 1.00 0.00 C ATOM 557 OH TYR A 37 22.893 10.132 -7.006 1.00 0.00 O ATOM 0 H TYR A 37 16.471 9.663 -8.170 1.00 0.00 H new ATOM 0 HA TYR A 37 17.300 12.473 -8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.655 10.039 -10.155 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.186 11.649 -10.598 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.724 12.838 -8.736 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.206 8.627 -9.127 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.842 12.469 -7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.321 8.255 -7.936 1.00 0.00 H new ATOM 0 HH TYR A 37 23.424 9.461 -7.484 1.00 0.00 H new ATOM 567 N CYS A 38 14.609 11.311 -9.588 1.00 0.00 N ATOM 568 CA CYS A 38 13.406 11.613 -10.356 1.00 0.00 C ATOM 569 C CYS A 38 12.907 13.022 -10.051 1.00 0.00 C ATOM 570 O CYS A 38 12.425 13.725 -10.938 1.00 0.00 O ATOM 571 CB CYS A 38 12.310 10.593 -10.048 1.00 0.00 C ATOM 572 SG CYS A 38 11.085 10.405 -11.365 1.00 0.00 S ATOM 0 H CYS A 38 14.512 10.527 -8.943 1.00 0.00 H new ATOM 0 HA CYS A 38 13.657 11.557 -11.415 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.773 9.625 -9.856 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.800 10.889 -9.132 1.00 0.00 H new ATOM 0 HG CYS A 38 10.201 9.520 -11.012 1.00 0.00 H new ATOM 578 N GLU A 39 13.024 13.426 -8.790 1.00 0.00 N ATOM 579 CA GLU A 39 12.583 14.750 -8.368 1.00 0.00 C ATOM 580 C GLU A 39 13.306 15.840 -9.154 1.00 0.00 C ATOM 581 O GLU A 39 12.692 16.659 -9.838 1.00 0.00 O ATOM 582 CB GLU A 39 12.825 14.940 -6.869 1.00 0.00 C ATOM 583 CG GLU A 39 11.622 14.593 -6.009 1.00 0.00 C ATOM 584 CD GLU A 39 10.325 15.141 -6.573 1.00 0.00 C ATOM 585 OE1 GLU A 39 9.676 14.429 -7.368 1.00 0.00 O ATOM 586 OE2 GLU A 39 9.959 16.282 -6.220 1.00 0.00 O ATOM 0 H GLU A 39 13.420 12.855 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 39 11.515 14.830 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.669 14.321 -6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.107 15.977 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.545 13.510 -5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.772 14.987 -5.004 1.00 0.00 H new ATOM 593 N PRO A 40 14.644 15.852 -9.054 1.00 0.00 N ATOM 594 CA PRO A 40 15.481 16.835 -9.748 1.00 0.00 C ATOM 595 C PRO A 40 15.497 16.620 -11.258 1.00 0.00 C ATOM 596 O PRO A 40 15.811 17.534 -12.022 1.00 0.00 O ATOM 597 CB PRO A 40 16.873 16.595 -9.159 1.00 0.00 C ATOM 598 CG PRO A 40 16.852 15.177 -8.704 1.00 0.00 C ATOM 599 CD PRO A 40 15.442 14.906 -8.257 1.00 0.00 C ATOM 0 HA PRO A 40 15.114 17.852 -9.610 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.652 16.760 -9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.075 17.274 -8.330 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.142 14.504 -9.511 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.557 15.019 -7.888 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.151 13.873 -8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.319 15.078 -7.188 1.00 0.00 H new ATOM 607 N LEU A 41 15.157 15.408 -11.681 1.00 0.00 N ATOM 608 CA LEU A 41 15.133 15.072 -13.101 1.00 0.00 C ATOM 609 C LEU A 41 13.705 15.068 -13.636 1.00 0.00 C ATOM 610 O LEU A 41 13.463 14.697 -14.784 1.00 0.00 O ATOM 611 CB LEU A 41 15.781 13.706 -13.333 1.00 0.00 C ATOM 612 CG LEU A 41 17.245 13.577 -12.911 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.658 12.115 -12.858 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.145 14.353 -13.862 1.00 0.00 C ATOM 0 H LEU A 41 14.894 14.641 -11.062 1.00 0.00 H new ATOM 0 HA LEU A 41 15.700 15.832 -13.638 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.201 12.955 -12.796 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.707 13.467 -14.394 1.00 0.00 H new ATOM 0 HG LEU A 41 17.354 14.001 -11.913 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.703 12.043 -12.556 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.034 11.587 -12.137 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.533 11.666 -13.843 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.183 14.250 -13.546 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.032 13.959 -14.872 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.865 15.406 -13.850 1.00 0.00 H new ATOM 626 N GLU A 42 12.763 15.485 -12.795 1.00 0.00 N ATOM 627 CA GLU A 42 11.358 15.529 -13.185 1.00 0.00 C ATOM 628 C GLU A 42 11.179 16.303 -14.488 1.00 0.00 C ATOM 629 O GLU A 42 10.464 15.864 -15.390 1.00 0.00 O ATOM 630 CB GLU A 42 10.519 16.172 -12.079 1.00 0.00 C ATOM 631 CG GLU A 42 10.823 17.645 -11.863 1.00 0.00 C ATOM 632 CD GLU A 42 10.221 18.183 -10.579 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.674 17.378 -9.797 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.298 19.409 -10.356 1.00 0.00 O ATOM 0 H GLU A 42 12.947 15.797 -11.841 1.00 0.00 H new ATOM 0 HA GLU A 42 11.019 14.505 -13.341 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.463 16.060 -12.324 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.689 15.634 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.903 17.790 -11.842 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.441 18.219 -12.707 1.00 0.00 H new ATOM 641 N HIS A 43 11.834 17.456 -14.580 1.00 0.00 N ATOM 642 CA HIS A 43 11.748 18.291 -15.772 1.00 0.00 C ATOM 643 C HIS A 43 13.029 18.199 -16.595 1.00 0.00 C ATOM 644 O HIS A 43 13.384 19.130 -17.318 1.00 0.00 O ATOM 645 CB HIS A 43 11.482 19.746 -15.384 1.00 0.00 C ATOM 646 CG HIS A 43 12.336 20.230 -14.253 1.00 0.00 C ATOM 647 ND1 HIS A 43 13.686 20.477 -14.382 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.025 20.513 -12.966 1.00 0.00 C ATOM 649 CE1 HIS A 43 14.169 20.890 -13.224 1.00 0.00 C ATOM 650 NE2 HIS A 43 13.181 20.921 -12.348 1.00 0.00 N ATOM 0 H HIS A 43 12.430 17.833 -13.843 1.00 0.00 H new ATOM 0 HA HIS A 43 10.920 17.927 -16.380 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.650 20.382 -16.253 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.433 19.854 -15.108 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.049 20.433 -12.510 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.197 21.157 -13.027 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.263 21.202 -11.371 1.00 0.00 H new ATOM 658 N PHE A 44 13.721 17.070 -16.478 1.00 0.00 N ATOM 659 CA PHE A 44 14.965 16.856 -17.209 1.00 0.00 C ATOM 660 C PHE A 44 14.711 16.086 -18.501 1.00 0.00 C ATOM 661 O PHE A 44 13.839 15.218 -18.560 1.00 0.00 O ATOM 662 CB PHE A 44 15.969 16.098 -16.338 1.00 0.00 C ATOM 663 CG PHE A 44 16.876 16.997 -15.548 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.354 17.926 -14.663 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.252 16.913 -15.691 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.187 18.754 -13.935 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.090 17.739 -14.966 1.00 0.00 C ATOM 668 CZ PHE A 44 18.557 18.660 -14.086 1.00 0.00 C ATOM 0 H PHE A 44 13.441 16.289 -15.884 1.00 0.00 H new ATOM 0 HA PHE A 44 15.380 17.831 -17.464 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.425 15.450 -15.651 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.575 15.452 -16.974 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.284 18.004 -14.541 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.674 16.194 -16.377 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.767 19.474 -13.248 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.161 17.664 -15.088 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.210 19.305 -13.517 1.00 0.00 H new ATOM 678 N THR A 45 15.479 16.410 -19.537 1.00 0.00 N ATOM 679 CA THR A 45 15.337 15.751 -20.829 1.00 0.00 C ATOM 680 C THR A 45 16.537 14.860 -21.127 1.00 0.00 C ATOM 681 O THR A 45 17.667 15.180 -20.760 1.00 0.00 O ATOM 682 CB THR A 45 15.178 16.776 -21.968 1.00 0.00 C ATOM 683 OG1 THR A 45 16.116 17.845 -21.800 1.00 0.00 O ATOM 684 CG2 THR A 45 13.763 17.336 -21.998 1.00 0.00 C ATOM 0 H THR A 45 16.206 17.125 -19.506 1.00 0.00 H new ATOM 0 HA THR A 45 14.438 15.138 -20.773 1.00 0.00 H new ATOM 0 HB THR A 45 15.372 16.269 -22.913 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.009 18.491 -22.529 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.674 18.058 -22.810 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.053 16.524 -22.155 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.546 17.828 -21.050 1.00 0.00 H new ATOM 692 N GLY A 46 16.285 13.739 -21.797 1.00 0.00 N ATOM 693 CA GLY A 46 17.356 12.819 -22.133 1.00 0.00 C ATOM 694 C GLY A 46 18.670 13.528 -22.390 1.00 0.00 C ATOM 695 O GLY A 46 19.726 13.067 -21.956 1.00 0.00 O ATOM 0 H GLY A 46 15.359 13.452 -22.113 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.485 12.104 -21.320 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.076 12.248 -23.018 1.00 0.00 H new ATOM 699 N GLN A 47 18.607 14.650 -23.099 1.00 0.00 N ATOM 700 CA GLN A 47 19.803 15.422 -23.416 1.00 0.00 C ATOM 701 C GLN A 47 20.419 16.013 -22.152 1.00 0.00 C ATOM 702 O GLN A 47 21.624 15.901 -21.927 1.00 0.00 O ATOM 703 CB GLN A 47 19.467 16.540 -24.404 1.00 0.00 C ATOM 704 CG GLN A 47 20.683 17.321 -24.876 1.00 0.00 C ATOM 705 CD GLN A 47 21.381 16.662 -26.049 1.00 0.00 C ATOM 706 OE1 GLN A 47 20.924 16.753 -27.189 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.495 15.994 -25.776 1.00 0.00 N ATOM 0 H GLN A 47 17.741 15.045 -23.465 1.00 0.00 H new ATOM 0 HA GLN A 47 20.529 14.749 -23.873 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.964 16.109 -25.270 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.763 17.228 -23.936 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.376 18.328 -25.160 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.387 17.424 -24.050 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.838 15.944 -24.817 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.008 15.530 -26.526 1.00 0.00 H new ATOM 716 N ASP A 48 19.586 16.643 -21.332 1.00 0.00 N ATOM 717 CA ASP A 48 20.049 17.250 -20.089 1.00 0.00 C ATOM 718 C ASP A 48 20.536 16.185 -19.112 1.00 0.00 C ATOM 719 O ASP A 48 21.503 16.395 -18.379 1.00 0.00 O ATOM 720 CB ASP A 48 18.929 18.072 -19.450 1.00 0.00 C ATOM 721 CG ASP A 48 18.811 19.458 -20.054 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.831 19.977 -20.554 1.00 0.00 O ATOM 723 OD2 ASP A 48 17.698 20.023 -20.028 1.00 0.00 O ATOM 0 H ASP A 48 18.586 16.747 -21.505 1.00 0.00 H new ATOM 0 HA ASP A 48 20.884 17.910 -20.325 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.982 17.545 -19.569 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.112 18.160 -18.379 1.00 0.00 H new ATOM 728 N LEU A 49 19.859 15.041 -19.106 1.00 0.00 N ATOM 729 CA LEU A 49 20.223 13.942 -18.218 1.00 0.00 C ATOM 730 C LEU A 49 21.652 13.480 -18.481 1.00 0.00 C ATOM 731 O LEU A 49 22.461 13.377 -17.558 1.00 0.00 O ATOM 732 CB LEU A 49 19.255 12.772 -18.401 1.00 0.00 C ATOM 733 CG LEU A 49 19.720 11.423 -17.851 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.541 10.632 -17.307 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.446 10.630 -18.927 1.00 0.00 C ATOM 0 H LEU A 49 19.056 14.851 -19.705 1.00 0.00 H new ATOM 0 HA LEU A 49 20.160 14.301 -17.191 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.310 13.030 -17.923 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.053 12.657 -19.466 1.00 0.00 H new ATOM 0 HG LEU A 49 20.415 11.607 -17.032 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.892 9.675 -16.920 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.064 11.195 -16.505 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.820 10.458 -18.106 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.770 9.673 -18.518 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.774 10.457 -19.767 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.316 11.191 -19.268 1.00 0.00 H new ATOM 747 N ILE A 50 21.957 13.206 -19.745 1.00 0.00 N ATOM 748 CA ILE A 50 23.291 12.759 -20.128 1.00 0.00 C ATOM 749 C ILE A 50 24.319 13.869 -19.934 1.00 0.00 C ATOM 750 O ILE A 50 25.522 13.614 -19.897 1.00 0.00 O ATOM 751 CB ILE A 50 23.327 12.293 -21.596 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.079 13.474 -22.536 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.298 11.197 -21.829 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.791 13.349 -23.865 1.00 0.00 C ATOM 0 H ILE A 50 21.299 13.286 -20.521 1.00 0.00 H new ATOM 0 HA ILE A 50 23.541 11.918 -19.481 1.00 0.00 H new ATOM 0 HB ILE A 50 24.316 11.887 -21.808 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.008 13.567 -22.714 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.401 14.392 -22.045 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.336 10.878 -22.871 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.518 10.348 -21.182 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.302 11.578 -21.602 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.570 14.221 -24.480 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.866 13.287 -23.697 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.451 12.449 -24.377 1.00 0.00 H new ATOM 766 N ASN A 51 23.836 15.100 -19.808 1.00 0.00 N ATOM 767 CA ASN A 51 24.713 16.250 -19.617 1.00 0.00 C ATOM 768 C ASN A 51 25.035 16.449 -18.139 1.00 0.00 C ATOM 769 O ASN A 51 25.503 17.513 -17.732 1.00 0.00 O ATOM 770 CB ASN A 51 24.064 17.514 -20.184 1.00 0.00 C ATOM 771 CG ASN A 51 24.128 17.568 -21.698 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.069 17.059 -22.309 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.126 18.187 -22.311 1.00 0.00 N ATOM 0 H ASN A 51 22.842 15.328 -19.835 1.00 0.00 H new ATOM 0 HA ASN A 51 25.644 16.058 -20.151 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.023 17.559 -19.865 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.562 18.391 -19.771 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.115 18.255 -23.329 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.367 18.594 -21.764 1.00 0.00 H new ATOM 780 N LEU A 52 24.781 15.418 -17.340 1.00 0.00 N ATOM 781 CA LEU A 52 25.044 15.478 -15.906 1.00 0.00 C ATOM 782 C LEU A 52 26.469 15.032 -15.595 1.00 0.00 C ATOM 783 O LEU A 52 26.957 14.045 -16.146 1.00 0.00 O ATOM 784 CB LEU A 52 24.046 14.602 -15.148 1.00 0.00 C ATOM 785 CG LEU A 52 22.605 15.113 -15.099 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.758 14.234 -14.192 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.568 16.560 -14.629 1.00 0.00 C ATOM 0 H LEU A 52 24.393 14.531 -17.661 1.00 0.00 H new ATOM 0 HA LEU A 52 24.928 16.513 -15.583 1.00 0.00 H new ATOM 0 HB2 LEU A 52 24.044 13.612 -15.603 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.403 14.482 -14.125 1.00 0.00 H new ATOM 0 HG LEU A 52 22.189 15.068 -16.106 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.736 14.613 -14.169 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.758 13.212 -14.572 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.172 14.246 -13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.535 16.907 -14.600 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.002 16.630 -13.632 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.140 17.181 -15.318 1.00 0.00 H new ATOM 799 N THR A 53 27.132 15.765 -14.705 1.00 0.00 N ATOM 800 CA THR A 53 28.500 15.444 -14.319 1.00 0.00 C ATOM 801 C THR A 53 28.682 15.547 -12.809 1.00 0.00 C ATOM 802 O THR A 53 27.831 16.093 -12.108 1.00 0.00 O ATOM 803 CB THR A 53 29.512 16.376 -15.011 1.00 0.00 C ATOM 804 OG1 THR A 53 29.154 17.744 -14.785 1.00 0.00 O ATOM 805 CG2 THR A 53 29.566 16.101 -16.506 1.00 0.00 C ATOM 0 H THR A 53 26.743 16.585 -14.239 1.00 0.00 H new ATOM 0 HA THR A 53 28.686 14.418 -14.636 1.00 0.00 H new ATOM 0 HB THR A 53 30.497 16.185 -14.586 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.349 17.784 -14.228 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.287 16.771 -16.973 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.868 15.067 -16.675 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.581 16.267 -16.942 1.00 0.00 H new ATOM 813 N GLN A 54 29.797 15.018 -12.315 1.00 0.00 N ATOM 814 CA GLN A 54 30.091 15.050 -10.887 1.00 0.00 C ATOM 815 C GLN A 54 29.983 16.471 -10.341 1.00 0.00 C ATOM 816 O GLN A 54 29.530 16.680 -9.216 1.00 0.00 O ATOM 817 CB GLN A 54 31.490 14.494 -10.619 1.00 0.00 C ATOM 818 CG GLN A 54 31.738 14.146 -9.160 1.00 0.00 C ATOM 819 CD GLN A 54 33.113 13.551 -8.927 1.00 0.00 C ATOM 820 OE1 GLN A 54 34.110 14.271 -8.863 1.00 0.00 O ATOM 821 NE2 GLN A 54 33.173 12.231 -8.799 1.00 0.00 N ATOM 0 H GLN A 54 30.512 14.562 -12.883 1.00 0.00 H new ATOM 0 HA GLN A 54 29.357 14.426 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.640 13.602 -11.227 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.231 15.227 -10.940 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.627 15.044 -8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.979 13.439 -8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.321 11.674 -8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 54 34.071 11.774 -8.641 1.00 0.00 H new ATOM 830 N GLU A 55 30.402 17.442 -11.146 1.00 0.00 N ATOM 831 CA GLU A 55 30.352 18.842 -10.742 1.00 0.00 C ATOM 832 C GLU A 55 28.909 19.303 -10.556 1.00 0.00 C ATOM 833 O GLU A 55 28.634 20.217 -9.778 1.00 0.00 O ATOM 834 CB GLU A 55 31.050 19.721 -11.783 1.00 0.00 C ATOM 835 CG GLU A 55 30.119 20.235 -12.868 1.00 0.00 C ATOM 836 CD GLU A 55 30.847 21.032 -13.932 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.566 20.416 -14.746 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.699 22.272 -13.951 1.00 0.00 O ATOM 0 H GLU A 55 30.779 17.285 -12.081 1.00 0.00 H new ATOM 0 HA GLU A 55 30.872 18.938 -9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.511 20.571 -11.279 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.855 19.151 -12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.611 19.391 -13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.349 20.859 -12.415 1.00 0.00 H new ATOM 845 N ASP A 56 27.993 18.666 -11.276 1.00 0.00 N ATOM 846 CA ASP A 56 26.578 19.009 -11.190 1.00 0.00 C ATOM 847 C ASP A 56 25.987 18.551 -9.861 1.00 0.00 C ATOM 848 O ASP A 56 24.949 19.049 -9.426 1.00 0.00 O ATOM 849 CB ASP A 56 25.807 18.377 -12.350 1.00 0.00 C ATOM 850 CG ASP A 56 26.179 18.981 -13.690 1.00 0.00 C ATOM 851 OD1 ASP A 56 27.363 19.332 -13.874 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.286 19.103 -14.555 1.00 0.00 O ATOM 0 H ASP A 56 28.205 17.909 -11.926 1.00 0.00 H new ATOM 0 HA ASP A 56 26.488 20.094 -11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 56 26.003 17.305 -12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.737 18.503 -12.183 1.00 0.00 H new ATOM 857 N PHE A 57 26.656 17.598 -9.219 1.00 0.00 N ATOM 858 CA PHE A 57 26.196 17.072 -7.939 1.00 0.00 C ATOM 859 C PHE A 57 26.556 18.021 -6.800 1.00 0.00 C ATOM 860 O PHE A 57 25.769 18.226 -5.875 1.00 0.00 O ATOM 861 CB PHE A 57 26.808 15.693 -7.681 1.00 0.00 C ATOM 862 CG PHE A 57 26.181 14.597 -8.495 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.564 14.388 -9.810 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.210 13.777 -7.945 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.988 13.381 -10.561 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.631 12.768 -8.691 1.00 0.00 C ATOM 867 CZ PHE A 57 25.021 12.569 -10.001 1.00 0.00 C ATOM 0 H PHE A 57 27.518 17.175 -9.564 1.00 0.00 H new ATOM 0 HA PHE A 57 25.111 16.979 -7.982 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.875 15.731 -7.899 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.707 15.452 -6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.321 15.019 -10.253 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.902 13.928 -6.921 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.294 13.229 -11.586 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.874 12.136 -8.250 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.571 11.781 -10.586 1.00 0.00 H new ATOM 877 N LYS A 58 27.750 18.598 -6.873 1.00 0.00 N ATOM 878 CA LYS A 58 28.216 19.527 -5.850 1.00 0.00 C ATOM 879 C LYS A 58 27.205 20.648 -5.632 1.00 0.00 C ATOM 880 O LYS A 58 27.163 21.262 -4.565 1.00 0.00 O ATOM 881 CB LYS A 58 29.570 20.119 -6.248 1.00 0.00 C ATOM 882 CG LYS A 58 30.567 19.081 -6.735 1.00 0.00 C ATOM 883 CD LYS A 58 31.980 19.640 -6.771 1.00 0.00 C ATOM 884 CE LYS A 58 32.891 18.796 -7.650 1.00 0.00 C ATOM 885 NZ LYS A 58 32.582 17.344 -7.536 1.00 0.00 N ATOM 0 H LYS A 58 28.414 18.439 -7.631 1.00 0.00 H new ATOM 0 HA LYS A 58 28.327 18.975 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.417 20.860 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 58 29.994 20.644 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.536 18.210 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 58 30.283 18.742 -7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.958 20.664 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 58 32.383 19.679 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.786 19.109 -8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 58 33.930 18.969 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.373 16.789 -7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 32.441 17.097 -6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 31.716 17.130 -8.071 1.00 0.00 H new ATOM 899 N LYS A 59 26.389 20.909 -6.648 1.00 0.00 N ATOM 900 CA LYS A 59 25.376 21.954 -6.567 1.00 0.00 C ATOM 901 C LYS A 59 23.993 21.397 -6.892 1.00 0.00 C ATOM 902 O LYS A 59 23.852 20.322 -7.475 1.00 0.00 O ATOM 903 CB LYS A 59 25.715 23.098 -7.525 1.00 0.00 C ATOM 904 CG LYS A 59 26.544 22.664 -8.722 1.00 0.00 C ATOM 905 CD LYS A 59 26.574 23.736 -9.798 1.00 0.00 C ATOM 906 CE LYS A 59 27.191 23.215 -11.087 1.00 0.00 C ATOM 907 NZ LYS A 59 27.678 24.322 -11.955 1.00 0.00 N ATOM 0 H LYS A 59 26.410 20.411 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 59 25.364 22.336 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.789 23.550 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.257 23.870 -6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.561 22.442 -8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.133 21.743 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.560 24.085 -9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.143 24.595 -9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 59 28.020 22.548 -10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.453 22.625 -11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 28.091 23.926 -12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.883 24.944 -12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 28.401 24.870 -11.446 1.00 0.00 H new ATOM 921 N PRO A 60 22.948 22.146 -6.510 1.00 0.00 N ATOM 922 CA PRO A 60 21.558 21.747 -6.753 1.00 0.00 C ATOM 923 C PRO A 60 21.187 21.810 -8.230 1.00 0.00 C ATOM 924 O PRO A 60 21.894 22.399 -9.048 1.00 0.00 O ATOM 925 CB PRO A 60 20.750 22.774 -5.955 1.00 0.00 C ATOM 926 CG PRO A 60 21.636 23.968 -5.868 1.00 0.00 C ATOM 927 CD PRO A 60 23.042 23.438 -5.811 1.00 0.00 C ATOM 0 HA PRO A 60 21.373 20.714 -6.457 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.811 23.013 -6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.497 22.396 -4.965 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.499 24.619 -6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.406 24.561 -4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.745 24.110 -6.302 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.384 23.315 -4.783 1.00 0.00 H new ATOM 935 N PRO A 61 20.052 21.189 -8.583 1.00 0.00 N ATOM 936 CA PRO A 61 19.203 20.483 -7.619 1.00 0.00 C ATOM 937 C PRO A 61 19.855 19.206 -7.098 1.00 0.00 C ATOM 938 O PRO A 61 19.668 18.829 -5.941 1.00 0.00 O ATOM 939 CB PRO A 61 17.947 20.150 -8.428 1.00 0.00 C ATOM 940 CG PRO A 61 18.409 20.108 -9.844 1.00 0.00 C ATOM 941 CD PRO A 61 19.509 21.127 -9.951 1.00 0.00 C ATOM 0 HA PRO A 61 19.008 21.085 -6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.521 19.195 -8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.173 20.904 -8.286 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.771 19.114 -10.107 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.593 20.341 -10.528 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.269 20.824 -10.671 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.129 22.095 -10.277 1.00 0.00 H new ATOM 949 N LEU A 62 20.621 18.545 -7.960 1.00 0.00 N ATOM 950 CA LEU A 62 21.303 17.311 -7.586 1.00 0.00 C ATOM 951 C LEU A 62 22.375 17.577 -6.534 1.00 0.00 C ATOM 952 O LEU A 62 23.471 18.037 -6.854 1.00 0.00 O ATOM 953 CB LEU A 62 21.932 16.660 -8.819 1.00 0.00 C ATOM 954 CG LEU A 62 21.003 16.450 -10.015 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.785 16.523 -11.317 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.279 15.116 -9.900 1.00 0.00 C ATOM 0 H LEU A 62 20.785 18.843 -8.922 1.00 0.00 H new ATOM 0 HA LEU A 62 20.565 16.632 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.772 17.275 -9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.339 15.692 -8.526 1.00 0.00 H new ATOM 0 HG LEU A 62 20.258 17.246 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.108 16.371 -12.157 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.257 17.502 -11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.552 15.748 -11.325 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.622 14.983 -10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 62 21.009 14.307 -9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.687 15.101 -8.985 1.00 0.00 H new ATOM 968 N TYR A 63 22.051 17.284 -5.280 1.00 0.00 N ATOM 969 CA TYR A 63 22.987 17.492 -4.181 1.00 0.00 C ATOM 970 C TYR A 63 22.738 16.490 -3.057 1.00 0.00 C ATOM 971 O TYR A 63 21.607 16.318 -2.603 1.00 0.00 O ATOM 972 CB TYR A 63 22.865 18.919 -3.643 1.00 0.00 C ATOM 973 CG TYR A 63 23.886 19.254 -2.579 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.227 19.424 -2.905 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.511 19.399 -1.250 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.163 19.730 -1.936 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.441 19.706 -0.275 1.00 0.00 C ATOM 978 CZ TYR A 63 25.765 19.870 -0.623 1.00 0.00 C ATOM 979 OH TYR A 63 26.695 20.174 0.346 1.00 0.00 O ATOM 0 H TYR A 63 21.148 16.902 -4.999 1.00 0.00 H new ATOM 0 HA TYR A 63 23.996 17.340 -4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.971 19.621 -4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.865 19.059 -3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.542 19.315 -3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.475 19.270 -0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.201 19.859 -2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 63 24.132 19.817 0.754 1.00 0.00 H new ATOM 0 HH TYR A 63 26.251 20.238 1.217 1.00 0.00 H new ATOM 989 N ARG A 64 23.804 15.833 -2.613 1.00 0.00 N ATOM 990 CA ARG A 64 23.703 14.847 -1.544 1.00 0.00 C ATOM 991 C ARG A 64 22.528 13.903 -1.784 1.00 0.00 C ATOM 992 O ARG A 64 21.984 13.321 -0.845 1.00 0.00 O ATOM 993 CB ARG A 64 23.543 15.544 -0.192 1.00 0.00 C ATOM 994 CG ARG A 64 24.466 16.738 -0.009 1.00 0.00 C ATOM 995 CD ARG A 64 25.865 16.304 0.399 1.00 0.00 C ATOM 996 NE ARG A 64 26.700 15.992 -0.757 1.00 0.00 N ATOM 997 CZ ARG A 64 27.842 15.317 -0.678 1.00 0.00 C ATOM 998 NH1 ARG A 64 28.281 14.885 0.496 1.00 0.00 N ATOM 999 NH2 ARG A 64 28.546 15.072 -1.776 1.00 0.00 N ATOM 0 H ARG A 64 24.748 15.966 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 64 24.622 14.261 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.510 15.874 -0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.733 14.823 0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.517 17.306 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.055 17.404 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.335 17.096 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.799 15.429 1.045 1.00 0.00 H new ATOM 0 HE ARG A 64 26.390 16.309 -1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.742 15.070 1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 64 29.158 14.367 0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 64 28.211 15.402 -2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 64 29.422 14.554 -1.715 1.00 0.00 H new ATOM 1013 N VAL A 65 22.142 13.757 -3.047 1.00 0.00 N ATOM 1014 CA VAL A 65 21.033 12.883 -3.411 1.00 0.00 C ATOM 1015 C VAL A 65 21.333 11.434 -3.048 1.00 0.00 C ATOM 1016 O VAL A 65 20.438 10.680 -2.666 1.00 0.00 O ATOM 1017 CB VAL A 65 20.721 12.970 -4.917 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.446 12.207 -5.244 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.611 14.422 -5.356 1.00 0.00 C ATOM 0 H VAL A 65 22.581 14.233 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 65 20.164 13.223 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 65 21.542 12.510 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.242 12.280 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.568 11.159 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.613 12.634 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.390 14.464 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.811 14.910 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.553 14.934 -5.160 1.00 0.00 H new ATOM 1029 N SER A 66 22.600 11.049 -3.169 1.00 0.00 N ATOM 1030 CA SER A 66 23.019 9.688 -2.856 1.00 0.00 C ATOM 1031 C SER A 66 24.102 9.686 -1.781 1.00 0.00 C ATOM 1032 O SER A 66 24.497 10.740 -1.281 1.00 0.00 O ATOM 1033 CB SER A 66 23.534 8.988 -4.115 1.00 0.00 C ATOM 1034 OG SER A 66 24.045 7.702 -3.811 1.00 0.00 O ATOM 0 H SER A 66 23.354 11.661 -3.482 1.00 0.00 H new ATOM 0 HA SER A 66 22.153 9.146 -2.476 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.726 8.899 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.314 9.593 -4.578 1.00 0.00 H new ATOM 0 HG SER A 66 24.218 7.214 -4.643 1.00 0.00 H new ATOM 1040 N SER A 67 24.576 8.496 -1.430 1.00 0.00 N ATOM 1041 CA SER A 67 25.611 8.355 -0.412 1.00 0.00 C ATOM 1042 C SER A 67 26.971 8.095 -1.053 1.00 0.00 C ATOM 1043 O SER A 67 28.013 8.349 -0.448 1.00 0.00 O ATOM 1044 CB SER A 67 25.260 7.216 0.548 1.00 0.00 C ATOM 1045 OG SER A 67 25.979 7.335 1.764 1.00 0.00 O ATOM 0 H SER A 67 24.260 7.615 -1.835 1.00 0.00 H new ATOM 0 HA SER A 67 25.665 9.289 0.148 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.189 7.225 0.752 1.00 0.00 H new ATOM 0 HB3 SER A 67 25.487 6.258 0.080 1.00 0.00 H new ATOM 0 HG SER A 67 25.736 6.597 2.361 1.00 0.00 H new ATOM 1051 N ASP A 68 26.952 7.587 -2.280 1.00 0.00 N ATOM 1052 CA ASP A 68 28.183 7.294 -3.005 1.00 0.00 C ATOM 1053 C ASP A 68 28.634 8.501 -3.821 1.00 0.00 C ATOM 1054 O ASP A 68 29.210 8.354 -4.899 1.00 0.00 O ATOM 1055 CB ASP A 68 27.984 6.087 -3.923 1.00 0.00 C ATOM 1056 CG ASP A 68 26.696 6.170 -4.718 1.00 0.00 C ATOM 1057 OD1 ASP A 68 26.644 6.963 -5.682 1.00 0.00 O ATOM 1058 OD2 ASP A 68 25.740 5.443 -4.377 1.00 0.00 O ATOM 0 H ASP A 68 26.098 7.369 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 68 28.959 7.062 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 68 28.827 6.014 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.980 5.176 -3.325 1.00 0.00 H new ATOM 1063 N ASN A 69 28.367 9.694 -3.301 1.00 0.00 N ATOM 1064 CA ASN A 69 28.743 10.927 -3.983 1.00 0.00 C ATOM 1065 C ASN A 69 28.086 11.010 -5.358 1.00 0.00 C ATOM 1066 O ASN A 69 28.735 11.339 -6.349 1.00 0.00 O ATOM 1067 CB ASN A 69 30.263 11.012 -4.127 1.00 0.00 C ATOM 1068 CG ASN A 69 30.930 11.582 -2.889 1.00 0.00 C ATOM 1069 OD1 ASN A 69 31.542 10.853 -2.109 1.00 0.00 O ATOM 1070 ND2 ASN A 69 30.813 12.892 -2.704 1.00 0.00 N ATOM 0 H ASN A 69 27.892 9.833 -2.409 1.00 0.00 H new ATOM 0 HA ASN A 69 28.394 11.766 -3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.663 10.018 -4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.510 11.633 -4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 69 31.240 13.332 -1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 69 30.296 13.458 -3.377 1.00 0.00 H new ATOM 1077 N GLY A 70 26.791 10.709 -5.408 1.00 0.00 N ATOM 1078 CA GLY A 70 26.067 10.756 -6.665 1.00 0.00 C ATOM 1079 C GLY A 70 26.777 10.002 -7.771 1.00 0.00 C ATOM 1080 O GLY A 70 26.844 10.472 -8.907 1.00 0.00 O ATOM 0 H GLY A 70 26.231 10.434 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.072 10.335 -6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 70 25.934 11.795 -6.965 1.00 0.00 H new ATOM 1084 N GLN A 71 27.310 8.830 -7.439 1.00 0.00 N ATOM 1085 CA GLN A 71 28.021 8.011 -8.414 1.00 0.00 C ATOM 1086 C GLN A 71 27.064 7.066 -9.132 1.00 0.00 C ATOM 1087 O GLN A 71 26.984 7.063 -10.360 1.00 0.00 O ATOM 1088 CB GLN A 71 29.129 7.210 -7.727 1.00 0.00 C ATOM 1089 CG GLN A 71 29.449 5.896 -8.421 1.00 0.00 C ATOM 1090 CD GLN A 71 30.920 5.540 -8.346 1.00 0.00 C ATOM 1091 OE1 GLN A 71 31.315 4.635 -7.610 1.00 0.00 O ATOM 1092 NE2 GLN A 71 31.742 6.252 -9.110 1.00 0.00 N ATOM 0 H GLN A 71 27.263 8.427 -6.503 1.00 0.00 H new ATOM 0 HA GLN A 71 28.468 8.676 -9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.033 7.818 -7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.833 7.005 -6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 71 28.862 5.097 -7.967 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.147 5.959 -9.466 1.00 0.00 H new ATOM 0 HE21 GLN A 71 31.372 6.993 -9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 71 32.743 6.057 -9.101 1.00 0.00 H new ATOM 1101 N ARG A 72 26.340 6.264 -8.357 1.00 0.00 N ATOM 1102 CA ARG A 72 25.390 5.311 -8.920 1.00 0.00 C ATOM 1103 C ARG A 72 24.723 5.882 -10.168 1.00 0.00 C ATOM 1104 O ARG A 72 24.554 5.184 -11.169 1.00 0.00 O ATOM 1105 CB ARG A 72 24.327 4.945 -7.882 1.00 0.00 C ATOM 1106 CG ARG A 72 23.240 4.030 -8.421 1.00 0.00 C ATOM 1107 CD ARG A 72 22.540 3.277 -7.301 1.00 0.00 C ATOM 1108 NE ARG A 72 23.440 2.353 -6.617 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.022 1.354 -5.847 1.00 0.00 C ATOM 1110 NH1 ARG A 72 21.724 1.152 -5.665 1.00 0.00 N ATOM 1111 NH2 ARG A 72 23.902 0.555 -5.259 1.00 0.00 N ATOM 0 H ARG A 72 26.393 6.255 -7.338 1.00 0.00 H new ATOM 0 HA ARG A 72 25.938 4.412 -9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.811 4.460 -7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.868 5.859 -7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.510 4.618 -8.977 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.676 3.319 -9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.137 3.990 -6.582 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.694 2.724 -7.709 1.00 0.00 H new ATOM 0 HE ARG A 72 24.445 2.481 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.044 1.764 -6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.405 0.385 -5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.901 0.707 -5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.580 -0.211 -4.668 1.00 0.00 H new ATOM 1125 N LEU A 73 24.345 7.154 -10.101 1.00 0.00 N ATOM 1126 CA LEU A 73 23.693 7.818 -11.225 1.00 0.00 C ATOM 1127 C LEU A 73 24.695 8.118 -12.335 1.00 0.00 C ATOM 1128 O LEU A 73 24.468 7.782 -13.499 1.00 0.00 O ATOM 1129 CB LEU A 73 23.027 9.114 -10.760 1.00 0.00 C ATOM 1130 CG LEU A 73 22.283 9.909 -11.833 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.187 9.061 -12.461 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.700 11.185 -11.244 1.00 0.00 C ATOM 0 H LEU A 73 24.479 7.746 -9.281 1.00 0.00 H new ATOM 0 HA LEU A 73 22.931 7.146 -11.620 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.324 8.872 -9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.793 9.757 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 73 22.994 10.184 -12.612 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.668 9.643 -13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.629 8.176 -12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.478 8.755 -11.692 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.174 11.738 -12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.003 10.932 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.505 11.801 -10.842 1.00 0.00 H new ATOM 1144 N LEU A 74 25.805 8.748 -11.969 1.00 0.00 N ATOM 1145 CA LEU A 74 26.844 9.092 -12.934 1.00 0.00 C ATOM 1146 C LEU A 74 27.251 7.872 -13.754 1.00 0.00 C ATOM 1147 O LEU A 74 27.426 7.958 -14.969 1.00 0.00 O ATOM 1148 CB LEU A 74 28.065 9.668 -12.215 1.00 0.00 C ATOM 1149 CG LEU A 74 27.969 11.137 -11.800 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.166 11.530 -10.947 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.869 12.032 -13.027 1.00 0.00 C ATOM 0 H LEU A 74 26.009 9.031 -11.011 1.00 0.00 H new ATOM 0 HA LEU A 74 26.441 9.844 -13.612 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.251 9.071 -11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.933 9.551 -12.864 1.00 0.00 H new ATOM 0 HG LEU A 74 27.066 11.269 -11.204 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.081 12.578 -10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.193 10.910 -10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.083 11.383 -11.517 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.801 13.074 -12.713 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.754 11.897 -13.649 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.980 11.767 -13.599 1.00 0.00 H new ATOM 1163 N ASP A 75 27.398 6.736 -13.081 1.00 0.00 N ATOM 1164 CA ASP A 75 27.781 5.497 -13.747 1.00 0.00 C ATOM 1165 C ASP A 75 26.669 5.012 -14.673 1.00 0.00 C ATOM 1166 O ASP A 75 26.930 4.560 -15.788 1.00 0.00 O ATOM 1167 CB ASP A 75 28.107 4.417 -12.714 1.00 0.00 C ATOM 1168 CG ASP A 75 29.137 3.425 -13.219 1.00 0.00 C ATOM 1169 OD1 ASP A 75 30.335 3.779 -13.253 1.00 0.00 O ATOM 1170 OD2 ASP A 75 28.746 2.296 -13.579 1.00 0.00 O ATOM 0 H ASP A 75 27.258 6.648 -12.075 1.00 0.00 H new ATOM 0 HA ASP A 75 28.669 5.696 -14.347 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.477 4.889 -11.804 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.194 3.885 -12.449 1.00 0.00 H new ATOM 1175 N MET A 76 25.430 5.109 -14.203 1.00 0.00 N ATOM 1176 CA MET A 76 24.279 4.682 -14.990 1.00 0.00 C ATOM 1177 C MET A 76 24.144 5.521 -16.256 1.00 0.00 C ATOM 1178 O MET A 76 23.716 5.024 -17.299 1.00 0.00 O ATOM 1179 CB MET A 76 22.999 4.783 -14.158 1.00 0.00 C ATOM 1180 CG MET A 76 22.820 3.635 -13.177 1.00 0.00 C ATOM 1181 SD MET A 76 22.820 2.024 -13.987 1.00 0.00 S ATOM 1182 CE MET A 76 21.521 2.253 -15.199 1.00 0.00 C ATOM 0 H MET A 76 25.197 5.479 -13.282 1.00 0.00 H new ATOM 0 HA MET A 76 24.434 3.643 -15.279 1.00 0.00 H new ATOM 0 HB2 MET A 76 23.007 5.723 -13.607 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.141 4.814 -14.829 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.620 3.666 -12.438 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.882 3.766 -12.637 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.012 1.304 -15.371 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.805 2.988 -14.830 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.954 2.607 -16.135 1.00 0.00 H new ATOM 1192 N ILE A 77 24.510 6.795 -16.158 1.00 0.00 N ATOM 1193 CA ILE A 77 24.429 7.702 -17.296 1.00 0.00 C ATOM 1194 C ILE A 77 25.644 7.552 -18.206 1.00 0.00 C ATOM 1195 O ILE A 77 25.512 7.489 -19.428 1.00 0.00 O ATOM 1196 CB ILE A 77 24.322 9.169 -16.840 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.132 9.346 -15.894 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.190 10.090 -18.044 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.046 10.727 -15.283 1.00 0.00 C ATOM 0 H ILE A 77 24.865 7.222 -15.302 1.00 0.00 H new ATOM 0 HA ILE A 77 23.528 7.435 -17.849 1.00 0.00 H new ATOM 0 HB ILE A 77 25.232 9.434 -16.302 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.211 9.141 -16.440 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.200 8.608 -15.095 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.115 11.123 -17.705 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.066 9.980 -18.684 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.294 9.827 -18.607 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.179 10.780 -14.624 1.00 0.00 H new ATOM 0 HD12 ILE A 77 23.951 10.928 -14.709 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.946 11.470 -16.075 1.00 0.00 H new ATOM 1211 N GLU A 78 26.826 7.494 -17.601 1.00 0.00 N ATOM 1212 CA GLU A 78 28.064 7.348 -18.357 1.00 0.00 C ATOM 1213 C GLU A 78 27.859 6.443 -19.568 1.00 0.00 C ATOM 1214 O GLU A 78 28.288 6.762 -20.677 1.00 0.00 O ATOM 1215 CB GLU A 78 29.170 6.781 -17.464 1.00 0.00 C ATOM 1216 CG GLU A 78 30.563 7.246 -17.851 1.00 0.00 C ATOM 1217 CD GLU A 78 31.655 6.403 -17.222 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.494 5.166 -17.171 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.671 6.980 -16.780 1.00 0.00 O ATOM 0 H GLU A 78 26.952 7.546 -16.590 1.00 0.00 H new ATOM 0 HA GLU A 78 28.362 8.335 -18.709 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.974 7.068 -16.431 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.135 5.692 -17.504 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.664 7.214 -18.936 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.692 8.285 -17.549 1.00 0.00 H new ATOM 1226 N THR A 79 27.199 5.310 -19.347 1.00 0.00 N ATOM 1227 CA THR A 79 26.937 4.357 -20.419 1.00 0.00 C ATOM 1228 C THR A 79 25.993 4.946 -21.460 1.00 0.00 C ATOM 1229 O THR A 79 26.177 4.748 -22.662 1.00 0.00 O ATOM 1230 CB THR A 79 26.330 3.051 -19.872 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.618 1.967 -20.763 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.825 3.185 -19.699 1.00 0.00 C ATOM 0 H THR A 79 26.836 5.030 -18.436 1.00 0.00 H new ATOM 0 HA THR A 79 27.896 4.136 -20.887 1.00 0.00 H new ATOM 0 HB THR A 79 26.775 2.849 -18.898 1.00 0.00 H new ATOM 0 HG1 THR A 79 26.230 1.140 -20.408 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.419 2.251 -19.312 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.610 3.992 -18.999 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.366 3.408 -20.662 1.00 0.00 H new ATOM 1240 N LEU A 80 24.983 5.671 -20.993 1.00 0.00 N ATOM 1241 CA LEU A 80 24.010 6.291 -21.885 1.00 0.00 C ATOM 1242 C LEU A 80 24.705 7.135 -22.949 1.00 0.00 C ATOM 1243 O LEU A 80 24.182 7.323 -24.048 1.00 0.00 O ATOM 1244 CB LEU A 80 23.036 7.159 -21.086 1.00 0.00 C ATOM 1245 CG LEU A 80 22.086 6.413 -20.149 1.00 0.00 C ATOM 1246 CD1 LEU A 80 21.009 7.350 -19.623 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.458 5.224 -20.862 1.00 0.00 C ATOM 0 H LEU A 80 24.816 5.844 -20.002 1.00 0.00 H new ATOM 0 HA LEU A 80 23.455 5.497 -22.384 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.614 7.869 -20.495 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.439 7.741 -21.788 1.00 0.00 H new ATOM 0 HG LEU A 80 22.661 6.041 -19.301 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.342 6.801 -18.958 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.475 8.169 -19.075 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.437 7.752 -20.459 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.785 4.705 -20.180 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.897 5.574 -21.729 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.242 4.540 -21.189 1.00 0.00 H new ATOM 1259 N LYS A 81 25.888 7.639 -22.616 1.00 0.00 N ATOM 1260 CA LYS A 81 26.658 8.460 -23.543 1.00 0.00 C ATOM 1261 C LYS A 81 27.567 7.596 -24.411 1.00 0.00 C ATOM 1262 O LYS A 81 27.467 7.611 -25.637 1.00 0.00 O ATOM 1263 CB LYS A 81 27.495 9.485 -22.773 1.00 0.00 C ATOM 1264 CG LYS A 81 26.673 10.608 -22.165 1.00 0.00 C ATOM 1265 CD LYS A 81 26.282 10.298 -20.730 1.00 0.00 C ATOM 1266 CE LYS A 81 27.366 10.724 -19.752 1.00 0.00 C ATOM 1267 NZ LYS A 81 27.802 12.129 -19.985 1.00 0.00 N ATOM 0 H LYS A 81 26.335 7.493 -21.711 1.00 0.00 H new ATOM 0 HA LYS A 81 25.957 8.985 -24.192 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.040 8.974 -21.979 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.238 9.913 -23.445 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.244 11.536 -22.195 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.775 10.767 -22.762 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.350 10.809 -20.487 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.096 9.229 -20.625 1.00 0.00 H new ATOM 0 HE2 LYS A 81 26.995 10.623 -18.732 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.223 10.057 -19.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.207 12.517 -19.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.520 12.149 -20.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 26.984 12.703 -20.272 1.00 0.00 H new ATOM 1281 N MET A 82 28.451 6.841 -23.766 1.00 0.00 N ATOM 1282 CA MET A 82 29.375 5.969 -24.481 1.00 0.00 C ATOM 1283 C MET A 82 28.691 5.313 -25.675 1.00 0.00 C ATOM 1284 O MET A 82 29.320 5.065 -26.704 1.00 0.00 O ATOM 1285 CB MET A 82 29.927 4.895 -23.541 1.00 0.00 C ATOM 1286 CG MET A 82 29.099 3.620 -23.523 1.00 0.00 C ATOM 1287 SD MET A 82 29.860 2.311 -22.544 1.00 0.00 S ATOM 1288 CE MET A 82 30.907 3.270 -21.452 1.00 0.00 C ATOM 0 H MET A 82 28.547 6.816 -22.751 1.00 0.00 H new ATOM 0 HA MET A 82 30.200 6.579 -24.848 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.947 4.652 -23.839 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.978 5.300 -22.530 1.00 0.00 H new ATOM 0 HG2 MET A 82 28.110 3.840 -23.122 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.958 3.269 -24.545 1.00 0.00 H new ATOM 0 HE1 MET A 82 31.307 2.623 -20.671 1.00 0.00 H new ATOM 0 HE2 MET A 82 31.729 3.702 -22.023 1.00 0.00 H new ATOM 0 HE3 MET A 82 30.322 4.069 -20.997 1.00 0.00 H new