USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 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 USER MOD Set 1.2: A 82 MET CE :methyl -129:sc= -3.22! (180deg=-6.38!) USER MOD Set 2.1: A 32 ASN : amide:sc= -1.56 K(o=-4.7,f=-6.2) USER MOD Set 2.2: A 34 MET CE :methyl 157:sc= -1.27 (180deg=-2.49) USER MOD Set 2.3: A 76 MET CE :methyl -151:sc= -1.91 (180deg=-0.518) USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= -1.49 (180deg=-1.52) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.333) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0407 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.43) USER MOD Single : A 51 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot -45:sc= 0.2 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= -2.17 (180deg=-2.29) USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= 0.39 (180deg=-2.65!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.499 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= 0.701 (180deg=0.00947) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.558 5.017 -28.319 1.00 0.00 N ATOM 179 CA LYS A 15 21.696 5.598 -29.023 1.00 0.00 C ATOM 180 C LYS A 15 21.677 7.120 -28.924 1.00 0.00 C ATOM 181 O LYS A 15 22.726 7.763 -28.926 1.00 0.00 O ATOM 182 CB LYS A 15 21.685 5.171 -30.492 1.00 0.00 C ATOM 183 CG LYS A 15 23.059 5.185 -31.140 1.00 0.00 C ATOM 184 CD LYS A 15 23.403 6.560 -31.688 1.00 0.00 C ATOM 185 CE LYS A 15 22.942 6.718 -33.128 1.00 0.00 C ATOM 186 NZ LYS A 15 21.528 6.287 -33.308 1.00 0.00 N ATOM 0 HA LYS A 15 22.608 5.232 -28.552 1.00 0.00 H new ATOM 0 HB2 LYS A 15 21.268 4.167 -30.567 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.023 5.834 -31.049 1.00 0.00 H new ATOM 0 HG2 LYS A 15 23.810 4.885 -30.409 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.089 4.453 -31.947 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.936 7.326 -31.069 1.00 0.00 H new ATOM 0 HD3 LYS A 15 24.480 6.717 -31.631 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.045 7.760 -33.430 1.00 0.00 H new ATOM 0 HE3 LYS A 15 23.587 6.131 -33.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.241 6.442 -34.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.441 5.277 -33.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.913 6.841 -32.678 1.00 0.00 H new ATOM 200 N GLU A 16 20.478 7.688 -28.836 1.00 0.00 N ATOM 201 CA GLU A 16 20.325 9.135 -28.735 1.00 0.00 C ATOM 202 C GLU A 16 20.115 9.560 -27.285 1.00 0.00 C ATOM 203 O GLU A 16 20.835 10.414 -26.766 1.00 0.00 O ATOM 204 CB GLU A 16 19.148 9.606 -29.592 1.00 0.00 C ATOM 205 CG GLU A 16 18.072 8.549 -29.781 1.00 0.00 C ATOM 206 CD GLU A 16 16.721 9.148 -30.122 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.158 9.868 -29.271 1.00 0.00 O ATOM 208 OE2 GLU A 16 16.226 8.895 -31.241 1.00 0.00 O ATOM 0 H GLU A 16 19.600 7.169 -28.833 1.00 0.00 H new ATOM 0 HA GLU A 16 21.241 9.598 -29.102 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.703 10.487 -29.130 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.521 9.912 -30.570 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.374 7.866 -30.575 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.984 7.958 -28.869 1.00 0.00 H new ATOM 215 N VAL A 17 19.123 8.959 -26.635 1.00 0.00 N ATOM 216 CA VAL A 17 18.818 9.274 -25.245 1.00 0.00 C ATOM 217 C VAL A 17 18.963 10.768 -24.975 1.00 0.00 C ATOM 218 O VAL A 17 19.202 11.185 -23.842 1.00 0.00 O ATOM 219 CB VAL A 17 19.733 8.498 -24.280 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.135 9.088 -24.282 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.148 8.498 -22.876 1.00 0.00 C ATOM 0 H VAL A 17 18.517 8.251 -27.050 1.00 0.00 H new ATOM 0 HA VAL A 17 17.784 8.975 -25.073 1.00 0.00 H new ATOM 0 HB VAL A 17 19.799 7.465 -24.622 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.767 8.526 -23.594 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.552 9.031 -25.287 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.092 10.130 -23.966 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.808 7.945 -22.207 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.050 9.524 -22.523 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.166 8.024 -22.891 1.00 0.00 H new ATOM 231 N VAL A 18 18.817 11.570 -26.025 1.00 0.00 N ATOM 232 CA VAL A 18 18.930 13.018 -25.902 1.00 0.00 C ATOM 233 C VAL A 18 17.604 13.702 -26.214 1.00 0.00 C ATOM 234 O VAL A 18 17.208 14.651 -25.537 1.00 0.00 O ATOM 235 CB VAL A 18 20.016 13.578 -26.839 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.397 13.128 -26.387 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.752 13.152 -28.276 1.00 0.00 C ATOM 0 H VAL A 18 18.620 11.241 -26.970 1.00 0.00 H new ATOM 0 HA VAL A 18 19.209 13.226 -24.869 1.00 0.00 H new ATOM 0 HB VAL A 18 19.982 14.667 -26.794 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.151 13.534 -27.062 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.584 13.488 -25.375 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.447 12.039 -26.400 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.529 13.557 -28.924 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.757 12.064 -28.340 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.781 13.530 -28.595 1.00 0.00 H new ATOM 247 N TYR A 19 16.920 13.213 -27.243 1.00 0.00 N ATOM 248 CA TYR A 19 15.638 13.778 -27.647 1.00 0.00 C ATOM 249 C TYR A 19 14.502 13.211 -26.801 1.00 0.00 C ATOM 250 O TYR A 19 13.331 13.506 -27.038 1.00 0.00 O ATOM 251 CB TYR A 19 15.376 13.495 -29.127 1.00 0.00 C ATOM 252 CG TYR A 19 16.554 13.810 -30.021 1.00 0.00 C ATOM 253 CD1 TYR A 19 16.740 15.088 -30.534 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.481 12.830 -30.355 1.00 0.00 C ATOM 255 CE1 TYR A 19 17.814 15.381 -31.352 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.559 13.114 -31.171 1.00 0.00 C ATOM 257 CZ TYR A 19 18.721 14.390 -31.667 1.00 0.00 C ATOM 258 OH TYR A 19 19.793 14.677 -32.481 1.00 0.00 O ATOM 0 H TYR A 19 17.232 12.426 -27.812 1.00 0.00 H new ATOM 0 HA TYR A 19 15.680 14.856 -27.492 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.111 12.444 -29.246 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.516 14.080 -29.454 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.032 15.866 -30.289 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.356 11.829 -29.970 1.00 0.00 H new ATOM 0 HE1 TYR A 19 17.943 16.380 -31.743 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.271 12.341 -31.419 1.00 0.00 H new ATOM 0 HH TYR A 19 20.336 13.870 -32.604 1.00 0.00 H new ATOM 268 N TRP A 20 14.858 12.398 -25.813 1.00 0.00 N ATOM 269 CA TRP A 20 13.870 11.790 -24.930 1.00 0.00 C ATOM 270 C TRP A 20 12.933 12.845 -24.353 1.00 0.00 C ATOM 271 O TRP A 20 13.204 14.043 -24.438 1.00 0.00 O ATOM 272 CB TRP A 20 14.564 11.033 -23.797 1.00 0.00 C ATOM 273 CG TRP A 20 14.987 9.647 -24.180 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.900 9.077 -25.418 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.559 8.657 -23.319 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.385 7.791 -25.378 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.796 7.510 -24.102 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.896 8.628 -21.963 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.353 6.349 -23.572 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.449 7.475 -21.438 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.673 6.349 -22.242 1.00 0.00 C ATOM 0 H TRP A 20 15.824 12.145 -25.603 1.00 0.00 H new ATOM 0 HA TRP A 20 13.279 11.088 -25.518 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.440 11.597 -23.476 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.891 10.976 -22.942 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.508 9.564 -26.298 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.431 7.150 -26.170 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.727 9.491 -21.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.526 5.480 -24.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.713 7.441 -20.391 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.107 5.463 -21.802 1.00 0.00 H new ATOM 292 N SER A 21 11.829 12.394 -23.766 1.00 0.00 N ATOM 293 CA SER A 21 10.850 13.301 -23.178 1.00 0.00 C ATOM 294 C SER A 21 11.109 13.487 -21.686 1.00 0.00 C ATOM 295 O SER A 21 11.861 12.737 -21.063 1.00 0.00 O ATOM 296 CB SER A 21 9.433 12.768 -23.398 1.00 0.00 C ATOM 297 OG SER A 21 9.442 11.367 -23.612 1.00 0.00 O ATOM 0 H SER A 21 11.590 11.406 -23.685 1.00 0.00 H new ATOM 0 HA SER A 21 10.947 14.269 -23.670 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.814 13.003 -22.532 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.983 13.267 -24.256 1.00 0.00 H new ATOM 0 HG SER A 21 8.524 11.051 -23.748 1.00 0.00 H new ATOM 303 N PRO A 22 10.472 14.511 -21.099 1.00 0.00 N ATOM 304 CA PRO A 22 10.617 14.820 -19.674 1.00 0.00 C ATOM 305 C PRO A 22 9.959 13.772 -18.783 1.00 0.00 C ATOM 306 O PRO A 22 10.225 13.707 -17.582 1.00 0.00 O ATOM 307 CB PRO A 22 9.906 16.168 -19.529 1.00 0.00 C ATOM 308 CG PRO A 22 8.922 16.199 -20.648 1.00 0.00 C ATOM 309 CD PRO A 22 9.561 15.444 -21.781 1.00 0.00 C ATOM 0 HA PRO A 22 11.662 14.839 -19.366 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.409 16.252 -18.562 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.611 16.997 -19.598 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.980 15.736 -20.353 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.696 17.224 -20.941 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.820 14.916 -22.380 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.099 16.111 -22.455 1.00 0.00 H new ATOM 317 N LYS A 23 9.099 12.953 -19.378 1.00 0.00 N ATOM 318 CA LYS A 23 8.404 11.905 -18.639 1.00 0.00 C ATOM 319 C LYS A 23 9.124 10.568 -18.782 1.00 0.00 C ATOM 320 O LYS A 23 8.926 9.656 -17.980 1.00 0.00 O ATOM 321 CB LYS A 23 6.961 11.776 -19.134 1.00 0.00 C ATOM 322 CG LYS A 23 5.978 12.652 -18.378 1.00 0.00 C ATOM 323 CD LYS A 23 6.464 14.089 -18.291 1.00 0.00 C ATOM 324 CE LYS A 23 5.857 14.811 -17.098 1.00 0.00 C ATOM 325 NZ LYS A 23 4.415 14.483 -16.926 1.00 0.00 N ATOM 0 H LYS A 23 8.866 12.994 -20.370 1.00 0.00 H new ATOM 0 HA LYS A 23 8.397 12.182 -17.585 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.925 12.033 -20.193 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.648 10.735 -19.048 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.008 12.624 -18.875 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.833 12.255 -17.373 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.551 14.102 -18.211 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.205 14.618 -19.208 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.402 14.539 -16.194 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.972 15.887 -17.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.974 15.180 -16.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.941 14.507 -17.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.322 13.533 -16.514 1.00 0.00 H new ATOM 339 N LYS A 24 9.961 10.460 -19.809 1.00 0.00 N ATOM 340 CA LYS A 24 10.713 9.235 -20.057 1.00 0.00 C ATOM 341 C LYS A 24 11.927 9.147 -19.137 1.00 0.00 C ATOM 342 O LYS A 24 12.090 8.174 -18.400 1.00 0.00 O ATOM 343 CB LYS A 24 11.161 9.175 -21.519 1.00 0.00 C ATOM 344 CG LYS A 24 12.293 8.193 -21.768 1.00 0.00 C ATOM 345 CD LYS A 24 11.968 6.816 -21.215 1.00 0.00 C ATOM 346 CE LYS A 24 12.629 5.717 -22.032 1.00 0.00 C ATOM 347 NZ LYS A 24 11.755 5.249 -23.143 1.00 0.00 N ATOM 0 H LYS A 24 10.136 11.206 -20.483 1.00 0.00 H new ATOM 0 HA LYS A 24 10.060 8.388 -19.849 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.309 8.900 -22.140 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.478 10.169 -21.834 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.484 8.120 -22.839 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.207 8.565 -21.306 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.301 6.751 -20.179 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.888 6.669 -21.213 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.570 6.085 -22.441 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.871 4.876 -21.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.242 4.500 -23.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.867 4.875 -22.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.545 6.045 -23.778 1.00 0.00 H new ATOM 361 N VAL A 25 12.776 10.168 -19.185 1.00 0.00 N ATOM 362 CA VAL A 25 13.974 10.206 -18.355 1.00 0.00 C ATOM 363 C VAL A 25 13.693 9.659 -16.960 1.00 0.00 C ATOM 364 O VAL A 25 14.541 9.000 -16.359 1.00 0.00 O ATOM 365 CB VAL A 25 14.526 11.639 -18.232 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.635 11.696 -17.193 1.00 0.00 C ATOM 367 CG2 VAL A 25 15.022 12.136 -19.581 1.00 0.00 C ATOM 0 H VAL A 25 12.656 10.980 -19.790 1.00 0.00 H new ATOM 0 HA VAL A 25 14.719 9.579 -18.845 1.00 0.00 H new ATOM 0 HB VAL A 25 13.719 12.294 -17.904 1.00 0.00 H new ATOM 0 HG11 VAL A 25 16.013 12.716 -17.120 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.243 11.384 -16.225 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.445 11.029 -17.489 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.408 13.150 -19.476 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.815 11.481 -19.941 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.198 12.134 -20.295 1.00 0.00 H new ATOM 377 N ALA A 26 12.498 9.937 -16.451 1.00 0.00 N ATOM 378 CA ALA A 26 12.104 9.470 -15.128 1.00 0.00 C ATOM 379 C ALA A 26 12.005 7.949 -15.088 1.00 0.00 C ATOM 380 O ALA A 26 12.647 7.297 -14.265 1.00 0.00 O ATOM 381 CB ALA A 26 10.780 10.098 -14.719 1.00 0.00 C ATOM 0 H ALA A 26 11.786 10.484 -16.935 1.00 0.00 H new ATOM 0 HA ALA A 26 12.873 9.776 -14.419 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.498 9.740 -13.729 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.883 11.183 -14.697 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.009 9.822 -15.438 1.00 0.00 H new ATOM 387 N ASP A 27 11.196 7.390 -15.982 1.00 0.00 N ATOM 388 CA ASP A 27 11.013 5.945 -16.050 1.00 0.00 C ATOM 389 C ASP A 27 12.359 5.227 -16.058 1.00 0.00 C ATOM 390 O ASP A 27 12.495 4.136 -15.504 1.00 0.00 O ATOM 391 CB ASP A 27 10.213 5.569 -17.297 1.00 0.00 C ATOM 392 CG ASP A 27 8.718 5.554 -17.043 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.189 6.575 -16.556 1.00 0.00 O ATOM 394 OD2 ASP A 27 8.077 4.522 -17.333 1.00 0.00 O ATOM 0 H ASP A 27 10.657 7.916 -16.670 1.00 0.00 H new ATOM 0 HA ASP A 27 10.459 5.631 -15.165 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.436 6.277 -18.095 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.529 4.586 -17.645 1.00 0.00 H new ATOM 399 N TRP A 28 13.350 5.845 -16.691 1.00 0.00 N ATOM 400 CA TRP A 28 14.685 5.263 -16.772 1.00 0.00 C ATOM 401 C TRP A 28 15.341 5.214 -15.397 1.00 0.00 C ATOM 402 O TRP A 28 16.182 4.354 -15.130 1.00 0.00 O ATOM 403 CB TRP A 28 15.556 6.068 -17.738 1.00 0.00 C ATOM 404 CG TRP A 28 16.985 5.618 -17.765 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.489 4.526 -18.412 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.094 6.248 -17.114 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.844 4.439 -18.203 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.240 5.484 -17.411 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.231 7.384 -16.312 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.503 5.821 -16.931 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.485 7.717 -15.837 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.608 6.938 -16.148 1.00 0.00 C ATOM 0 H TRP A 28 13.254 6.748 -17.155 1.00 0.00 H new ATOM 0 HA TRP A 28 14.588 4.243 -17.144 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.139 5.991 -18.742 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.519 7.121 -17.458 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.908 3.833 -19.001 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.456 3.714 -18.577 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.372 7.991 -16.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.369 5.222 -17.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.602 8.592 -15.215 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.575 7.225 -15.762 1.00 0.00 H new ATOM 423 N LEU A 29 14.953 6.140 -14.528 1.00 0.00 N ATOM 424 CA LEU A 29 15.505 6.202 -13.179 1.00 0.00 C ATOM 425 C LEU A 29 14.916 5.104 -12.299 1.00 0.00 C ATOM 426 O LEU A 29 15.644 4.391 -11.606 1.00 0.00 O ATOM 427 CB LEU A 29 15.230 7.572 -12.556 1.00 0.00 C ATOM 428 CG LEU A 29 15.872 8.769 -13.258 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.193 10.063 -12.836 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.364 8.825 -12.960 1.00 0.00 C ATOM 0 H LEU A 29 14.258 6.858 -14.733 1.00 0.00 H new ATOM 0 HA LEU A 29 16.582 6.050 -13.247 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.151 7.727 -12.530 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.575 7.555 -11.522 1.00 0.00 H new ATOM 0 HG LEU A 29 15.741 8.648 -14.333 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.663 10.904 -13.346 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.137 10.023 -13.101 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.292 10.191 -11.758 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.804 9.683 -13.468 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.517 8.922 -11.885 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.840 7.910 -13.314 1.00 0.00 H new ATOM 442 N LEU A 30 13.595 4.971 -12.332 1.00 0.00 N ATOM 443 CA LEU A 30 12.907 3.957 -11.540 1.00 0.00 C ATOM 444 C LEU A 30 13.246 2.555 -12.037 1.00 0.00 C ATOM 445 O LEU A 30 13.281 1.603 -11.258 1.00 0.00 O ATOM 446 CB LEU A 30 11.395 4.178 -11.594 1.00 0.00 C ATOM 447 CG LEU A 30 10.923 5.626 -11.455 1.00 0.00 C ATOM 448 CD1 LEU A 30 9.508 5.781 -11.992 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.995 6.073 -10.002 1.00 0.00 C ATOM 0 H LEU A 30 12.978 5.553 -12.899 1.00 0.00 H new ATOM 0 HA LEU A 30 13.244 4.048 -10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.024 3.785 -12.541 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.933 3.589 -10.802 1.00 0.00 H new ATOM 0 HG LEU A 30 11.585 6.261 -12.044 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.190 6.818 -11.885 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.486 5.502 -13.045 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.833 5.134 -11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.655 7.106 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.357 5.433 -9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.024 6.001 -9.650 1.00 0.00 H new ATOM 461 N GLU A 31 13.496 2.438 -13.337 1.00 0.00 N ATOM 462 CA GLU A 31 13.834 1.153 -13.936 1.00 0.00 C ATOM 463 C GLU A 31 15.090 0.567 -13.297 1.00 0.00 C ATOM 464 O GLU A 31 15.325 -0.639 -13.358 1.00 0.00 O ATOM 465 CB GLU A 31 14.041 1.307 -15.445 1.00 0.00 C ATOM 466 CG GLU A 31 14.208 -0.015 -16.174 1.00 0.00 C ATOM 467 CD GLU A 31 13.013 -0.933 -16.000 1.00 0.00 C ATOM 468 OE1 GLU A 31 12.860 -1.507 -14.902 1.00 0.00 O ATOM 469 OE2 GLU A 31 12.230 -1.075 -16.963 1.00 0.00 O ATOM 0 H GLU A 31 13.471 3.217 -13.995 1.00 0.00 H new ATOM 0 HA GLU A 31 13.004 0.469 -13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.189 1.840 -15.868 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.922 1.923 -15.621 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.362 0.177 -17.236 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.103 -0.517 -15.807 1.00 0.00 H new ATOM 476 N ASN A 32 15.893 1.431 -12.685 1.00 0.00 N ATOM 477 CA ASN A 32 17.125 1.001 -12.034 1.00 0.00 C ATOM 478 C ASN A 32 17.082 1.297 -10.538 1.00 0.00 C ATOM 479 O ASN A 32 18.102 1.230 -9.853 1.00 0.00 O ATOM 480 CB ASN A 32 18.331 1.697 -12.669 1.00 0.00 C ATOM 481 CG ASN A 32 18.451 1.406 -14.153 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.804 0.297 -14.553 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.157 2.406 -14.976 1.00 0.00 N ATOM 0 H ASN A 32 15.713 2.433 -12.626 1.00 0.00 H new ATOM 0 HA ASN A 32 17.222 -0.076 -12.170 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.247 2.773 -12.518 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.241 1.374 -12.163 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.220 2.271 -15.985 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.869 3.309 -14.599 1.00 0.00 H new ATOM 490 N ALA A 33 15.895 1.623 -10.038 1.00 0.00 N ATOM 491 CA ALA A 33 15.718 1.925 -8.624 1.00 0.00 C ATOM 492 C ALA A 33 16.388 3.245 -8.257 1.00 0.00 C ATOM 493 O ALA A 33 17.120 3.328 -7.271 1.00 0.00 O ATOM 494 CB ALA A 33 16.272 0.795 -7.769 1.00 0.00 C ATOM 0 H ALA A 33 15.041 1.685 -10.592 1.00 0.00 H new ATOM 0 HA ALA A 33 14.650 2.023 -8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.133 1.035 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.746 -0.130 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.335 0.670 -7.975 1.00 0.00 H new ATOM 500 N MET A 34 16.134 4.275 -9.058 1.00 0.00 N ATOM 501 CA MET A 34 16.713 5.591 -8.817 1.00 0.00 C ATOM 502 C MET A 34 15.624 6.655 -8.715 1.00 0.00 C ATOM 503 O MET A 34 15.686 7.704 -9.356 1.00 0.00 O ATOM 504 CB MET A 34 17.693 5.953 -9.935 1.00 0.00 C ATOM 505 CG MET A 34 18.692 4.851 -10.248 1.00 0.00 C ATOM 506 SD MET A 34 20.251 5.489 -10.892 1.00 0.00 S ATOM 507 CE MET A 34 19.853 5.666 -12.629 1.00 0.00 C ATOM 0 H MET A 34 15.531 4.223 -9.879 1.00 0.00 H new ATOM 0 HA MET A 34 17.251 5.555 -7.869 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.130 6.189 -10.838 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.236 6.855 -9.653 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.886 4.274 -9.344 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.256 4.166 -10.975 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.519 6.400 -13.082 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.976 4.706 -13.130 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.821 6.000 -12.734 1.00 0.00 H new ATOM 517 N PRO A 35 14.603 6.380 -7.890 1.00 0.00 N ATOM 518 CA PRO A 35 13.481 7.301 -7.686 1.00 0.00 C ATOM 519 C PRO A 35 13.891 8.553 -6.919 1.00 0.00 C ATOM 520 O PRO A 35 13.091 9.470 -6.738 1.00 0.00 O ATOM 521 CB PRO A 35 12.488 6.473 -6.866 1.00 0.00 C ATOM 522 CG PRO A 35 13.327 5.463 -6.162 1.00 0.00 C ATOM 523 CD PRO A 35 14.465 5.149 -7.093 1.00 0.00 C ATOM 0 HA PRO A 35 13.076 7.666 -8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.942 7.097 -6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.747 5.995 -7.507 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.695 5.854 -5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.750 4.567 -5.935 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.380 4.919 -6.546 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.244 4.286 -7.721 1.00 0.00 H new ATOM 531 N GLU A 36 15.143 8.585 -6.472 1.00 0.00 N ATOM 532 CA GLU A 36 15.657 9.725 -5.723 1.00 0.00 C ATOM 533 C GLU A 36 16.069 10.853 -6.665 1.00 0.00 C ATOM 534 O GLU A 36 16.061 12.025 -6.288 1.00 0.00 O ATOM 535 CB GLU A 36 16.850 9.303 -4.863 1.00 0.00 C ATOM 536 CG GLU A 36 17.737 8.260 -5.523 1.00 0.00 C ATOM 537 CD GLU A 36 17.245 6.845 -5.289 1.00 0.00 C ATOM 538 OE1 GLU A 36 16.212 6.680 -4.608 1.00 0.00 O ATOM 539 OE2 GLU A 36 17.894 5.902 -5.790 1.00 0.00 O ATOM 0 H GLU A 36 15.819 7.835 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 36 14.861 10.089 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.449 10.183 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.483 8.909 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.782 8.453 -6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.752 8.356 -5.139 1.00 0.00 H new ATOM 546 N TYR A 37 16.428 10.490 -7.891 1.00 0.00 N ATOM 547 CA TYR A 37 16.847 11.470 -8.887 1.00 0.00 C ATOM 548 C TYR A 37 15.658 11.946 -9.715 1.00 0.00 C ATOM 549 O TYR A 37 15.762 12.910 -10.475 1.00 0.00 O ATOM 550 CB TYR A 37 17.915 10.873 -9.803 1.00 0.00 C ATOM 551 CG TYR A 37 19.254 10.679 -9.127 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.063 11.765 -8.820 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.708 9.408 -8.795 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.287 11.592 -8.203 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.930 9.226 -8.177 1.00 0.00 C ATOM 556 CZ TYR A 37 21.716 10.321 -7.883 1.00 0.00 C ATOM 557 OH TYR A 37 22.934 10.144 -7.267 1.00 0.00 O ATOM 0 H TYR A 37 16.437 9.524 -8.220 1.00 0.00 H new ATOM 0 HA TYR A 37 17.268 12.328 -8.362 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.564 9.911 -10.178 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.045 11.524 -10.668 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.730 12.762 -9.068 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.095 8.549 -9.024 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.905 12.448 -7.973 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.268 8.232 -7.925 1.00 0.00 H new ATOM 0 HH TYR A 37 23.085 9.189 -7.110 1.00 0.00 H new ATOM 567 N CYS A 38 14.528 11.265 -9.563 1.00 0.00 N ATOM 568 CA CYS A 38 13.317 11.616 -10.297 1.00 0.00 C ATOM 569 C CYS A 38 12.910 13.058 -10.014 1.00 0.00 C ATOM 570 O CYS A 38 12.498 13.785 -10.917 1.00 0.00 O ATOM 571 CB CYS A 38 12.177 10.668 -9.924 1.00 0.00 C ATOM 572 SG CYS A 38 10.971 10.408 -11.247 1.00 0.00 S ATOM 0 H CYS A 38 14.425 10.466 -8.938 1.00 0.00 H new ATOM 0 HA CYS A 38 13.525 11.519 -11.362 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.599 9.705 -9.637 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.661 11.064 -9.049 1.00 0.00 H new ATOM 0 HG CYS A 38 10.047 9.590 -10.837 1.00 0.00 H new ATOM 578 N GLU A 39 13.026 13.464 -8.753 1.00 0.00 N ATOM 579 CA GLU A 39 12.667 14.819 -8.352 1.00 0.00 C ATOM 580 C GLU A 39 13.429 15.851 -9.179 1.00 0.00 C ATOM 581 O GLU A 39 12.844 16.675 -9.882 1.00 0.00 O ATOM 582 CB GLU A 39 12.957 15.028 -6.864 1.00 0.00 C ATOM 583 CG GLU A 39 11.756 14.775 -5.969 1.00 0.00 C ATOM 584 CD GLU A 39 12.125 14.714 -4.499 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.612 15.734 -3.968 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.929 13.647 -3.881 1.00 0.00 O ATOM 0 H GLU A 39 13.365 12.875 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 39 11.600 14.952 -8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.769 14.366 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.305 16.049 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.021 15.565 -6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.282 13.837 -6.260 1.00 0.00 H new ATOM 593 N PRO A 40 14.767 15.807 -9.093 1.00 0.00 N ATOM 594 CA PRO A 40 15.638 16.730 -9.826 1.00 0.00 C ATOM 595 C PRO A 40 15.628 16.467 -11.328 1.00 0.00 C ATOM 596 O PRO A 40 15.928 17.356 -12.126 1.00 0.00 O ATOM 597 CB PRO A 40 17.025 16.447 -9.244 1.00 0.00 C ATOM 598 CG PRO A 40 16.947 15.046 -8.744 1.00 0.00 C ATOM 599 CD PRO A 40 15.532 14.852 -8.274 1.00 0.00 C ATOM 0 HA PRO A 40 15.318 17.766 -9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.802 16.554 -10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.266 17.142 -8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.197 14.336 -9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.654 14.882 -7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.194 13.828 -8.430 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.430 15.063 -7.210 1.00 0.00 H new ATOM 607 N LEU A 41 15.281 15.243 -11.707 1.00 0.00 N ATOM 608 CA LEU A 41 15.231 14.862 -13.115 1.00 0.00 C ATOM 609 C LEU A 41 13.789 14.756 -13.600 1.00 0.00 C ATOM 610 O LEU A 41 13.523 14.199 -14.665 1.00 0.00 O ATOM 611 CB LEU A 41 15.953 13.531 -13.330 1.00 0.00 C ATOM 612 CG LEU A 41 17.420 13.485 -12.898 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.980 12.081 -13.060 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.242 14.485 -13.699 1.00 0.00 C ATOM 0 H LEU A 41 15.030 14.496 -11.059 1.00 0.00 H new ATOM 0 HA LEU A 41 15.733 15.638 -13.693 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.411 12.755 -12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.899 13.278 -14.389 1.00 0.00 H new ATOM 0 HG LEU A 41 17.478 13.757 -11.844 1.00 0.00 H new ATOM 0 HD11 LEU A 41 19.024 12.068 -12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.408 11.388 -12.443 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.910 11.780 -14.105 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.283 14.439 -13.379 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.177 14.242 -14.760 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.855 15.490 -13.532 1.00 0.00 H new ATOM 626 N GLU A 42 12.864 15.296 -12.813 1.00 0.00 N ATOM 627 CA GLU A 42 11.449 15.262 -13.165 1.00 0.00 C ATOM 628 C GLU A 42 11.202 15.968 -14.495 1.00 0.00 C ATOM 629 O GLU A 42 10.452 15.478 -15.340 1.00 0.00 O ATOM 630 CB GLU A 42 10.612 15.917 -12.064 1.00 0.00 C ATOM 631 CG GLU A 42 10.926 17.389 -11.855 1.00 0.00 C ATOM 632 CD GLU A 42 10.300 17.945 -10.591 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.126 17.622 -10.317 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.987 18.704 -9.874 1.00 0.00 O ATOM 0 H GLU A 42 13.068 15.762 -11.929 1.00 0.00 H new ATOM 0 HA GLU A 42 11.151 14.219 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.556 15.811 -12.311 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.776 15.383 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.007 17.523 -11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.569 17.958 -12.713 1.00 0.00 H new ATOM 641 N HIS A 43 11.838 17.121 -14.674 1.00 0.00 N ATOM 642 CA HIS A 43 11.687 17.895 -15.901 1.00 0.00 C ATOM 643 C HIS A 43 12.970 17.862 -16.725 1.00 0.00 C ATOM 644 O HIS A 43 13.247 18.780 -17.498 1.00 0.00 O ATOM 645 CB HIS A 43 11.314 19.342 -15.574 1.00 0.00 C ATOM 646 CG HIS A 43 9.838 19.573 -15.476 1.00 0.00 C ATOM 647 ND1 HIS A 43 9.020 19.691 -16.579 1.00 0.00 N ATOM 648 CD2 HIS A 43 9.032 19.705 -14.396 1.00 0.00 C ATOM 649 CE1 HIS A 43 7.775 19.888 -16.183 1.00 0.00 C ATOM 650 NE2 HIS A 43 7.755 19.900 -14.862 1.00 0.00 N ATOM 0 H HIS A 43 12.463 17.540 -13.985 1.00 0.00 H new ATOM 0 HA HIS A 43 10.887 17.445 -16.489 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.781 19.624 -14.630 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.726 19.997 -16.342 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.337 19.664 -13.361 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.919 20.017 -16.829 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.926 20.033 -14.283 1.00 0.00 H new ATOM 658 N PHE A 44 13.750 16.799 -16.555 1.00 0.00 N ATOM 659 CA PHE A 44 15.005 16.648 -17.281 1.00 0.00 C ATOM 660 C PHE A 44 14.797 15.852 -18.567 1.00 0.00 C ATOM 661 O PHE A 44 14.003 14.912 -18.607 1.00 0.00 O ATOM 662 CB PHE A 44 16.047 15.954 -16.402 1.00 0.00 C ATOM 663 CG PHE A 44 16.911 16.909 -15.630 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.349 17.804 -14.733 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.286 16.913 -15.800 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.142 18.684 -14.022 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.085 17.791 -15.091 1.00 0.00 C ATOM 668 CZ PHE A 44 18.512 18.677 -14.200 1.00 0.00 C ATOM 0 H PHE A 44 13.535 16.030 -15.921 1.00 0.00 H new ATOM 0 HA PHE A 44 15.366 17.642 -17.544 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.537 15.291 -15.703 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.682 15.328 -17.030 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.279 17.814 -14.588 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.739 16.222 -16.495 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.691 19.377 -13.327 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.155 17.784 -15.234 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.134 19.363 -13.644 1.00 0.00 H new ATOM 678 N THR A 45 15.516 16.237 -19.617 1.00 0.00 N ATOM 679 CA THR A 45 15.409 15.562 -20.904 1.00 0.00 C ATOM 680 C THR A 45 16.657 14.739 -21.199 1.00 0.00 C ATOM 681 O THR A 45 17.772 15.145 -20.874 1.00 0.00 O ATOM 682 CB THR A 45 15.191 16.569 -22.049 1.00 0.00 C ATOM 683 OG1 THR A 45 16.110 17.660 -21.925 1.00 0.00 O ATOM 684 CG2 THR A 45 13.764 17.098 -22.040 1.00 0.00 C ATOM 0 H THR A 45 16.178 17.013 -19.601 1.00 0.00 H new ATOM 0 HA THR A 45 14.546 14.899 -20.842 1.00 0.00 H new ATOM 0 HB THR A 45 15.365 16.054 -22.994 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.965 18.294 -22.658 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.634 17.807 -22.857 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.068 16.269 -22.165 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.567 17.597 -21.091 1.00 0.00 H new ATOM 692 N GLY A 46 16.463 13.578 -21.817 1.00 0.00 N ATOM 693 CA GLY A 46 17.583 12.715 -22.145 1.00 0.00 C ATOM 694 C GLY A 46 18.856 13.493 -22.409 1.00 0.00 C ATOM 695 O GLY A 46 19.931 13.112 -21.946 1.00 0.00 O ATOM 0 H GLY A 46 15.550 13.219 -22.096 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.751 12.016 -21.326 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.335 12.121 -23.025 1.00 0.00 H new ATOM 699 N GLN A 47 18.736 14.585 -23.157 1.00 0.00 N ATOM 700 CA GLN A 47 19.888 15.417 -23.484 1.00 0.00 C ATOM 701 C GLN A 47 20.488 16.035 -22.226 1.00 0.00 C ATOM 702 O GLN A 47 21.697 15.965 -22.004 1.00 0.00 O ATOM 703 CB GLN A 47 19.486 16.518 -24.466 1.00 0.00 C ATOM 704 CG GLN A 47 20.645 17.401 -24.899 1.00 0.00 C ATOM 705 CD GLN A 47 21.449 16.795 -26.032 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.116 16.965 -27.206 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.515 16.082 -25.687 1.00 0.00 N ATOM 0 H GLN A 47 17.853 14.914 -23.548 1.00 0.00 H new ATOM 0 HA GLN A 47 20.642 14.783 -23.950 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.039 16.060 -25.349 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.718 17.140 -24.007 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.260 18.372 -25.211 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.301 17.577 -24.046 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.755 15.967 -24.702 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.094 15.650 -26.407 1.00 0.00 H new ATOM 716 N ASP A 48 19.636 16.640 -21.406 1.00 0.00 N ATOM 717 CA ASP A 48 20.082 17.270 -20.169 1.00 0.00 C ATOM 718 C ASP A 48 20.565 16.223 -19.170 1.00 0.00 C ATOM 719 O ASP A 48 21.506 16.461 -18.412 1.00 0.00 O ATOM 720 CB ASP A 48 18.950 18.095 -19.554 1.00 0.00 C ATOM 721 CG ASP A 48 18.832 19.471 -20.178 1.00 0.00 C ATOM 722 OD1 ASP A 48 18.181 19.588 -21.238 1.00 0.00 O ATOM 723 OD2 ASP A 48 19.390 20.432 -19.608 1.00 0.00 O ATOM 0 H ASP A 48 18.632 16.707 -21.576 1.00 0.00 H new ATOM 0 HA ASP A 48 20.915 17.931 -20.407 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.007 17.562 -19.677 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.120 18.199 -18.482 1.00 0.00 H new ATOM 728 N LEU A 49 19.915 15.065 -19.174 1.00 0.00 N ATOM 729 CA LEU A 49 20.279 13.981 -18.268 1.00 0.00 C ATOM 730 C LEU A 49 21.716 13.530 -18.507 1.00 0.00 C ATOM 731 O LEU A 49 22.535 13.520 -17.587 1.00 0.00 O ATOM 732 CB LEU A 49 19.325 12.798 -18.448 1.00 0.00 C ATOM 733 CG LEU A 49 19.721 11.503 -17.738 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.484 10.746 -17.280 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.573 10.634 -18.651 1.00 0.00 C ATOM 0 H LEU A 49 19.134 14.852 -19.794 1.00 0.00 H new ATOM 0 HA LEU A 49 20.200 14.353 -17.246 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.338 13.096 -18.094 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.232 12.591 -19.514 1.00 0.00 H new ATOM 0 HG LEU A 49 20.311 11.759 -16.858 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.785 9.827 -16.777 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.912 11.367 -16.590 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.867 10.501 -18.144 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.846 9.717 -18.129 1.00 0.00 H new ATOM 0 HD22 LEU A 49 20.007 10.386 -19.549 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.477 11.176 -18.929 1.00 0.00 H new ATOM 747 N ILE A 50 22.016 13.160 -19.747 1.00 0.00 N ATOM 748 CA ILE A 50 23.356 12.713 -20.107 1.00 0.00 C ATOM 749 C ILE A 50 24.381 13.823 -19.897 1.00 0.00 C ATOM 750 O ILE A 50 25.578 13.562 -19.781 1.00 0.00 O ATOM 751 CB ILE A 50 23.418 12.243 -21.572 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.183 13.422 -22.519 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.394 11.146 -21.820 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.934 13.305 -23.827 1.00 0.00 C ATOM 0 H ILE A 50 21.350 13.161 -20.519 1.00 0.00 H new ATOM 0 HA ILE A 50 23.594 11.873 -19.454 1.00 0.00 H new ATOM 0 HB ILE A 50 24.411 11.837 -21.766 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.116 13.503 -22.728 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.481 14.344 -22.019 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.450 10.824 -22.860 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.603 10.299 -21.166 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.394 11.527 -21.612 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.720 14.175 -24.448 1.00 0.00 H new ATOM 0 HD12 ILE A 50 25.005 13.255 -23.629 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.619 12.401 -24.348 1.00 0.00 H new ATOM 766 N ASN A 51 23.902 15.061 -19.848 1.00 0.00 N ATOM 767 CA ASN A 51 24.777 16.212 -19.651 1.00 0.00 C ATOM 768 C ASN A 51 25.106 16.399 -18.173 1.00 0.00 C ATOM 769 O ASN A 51 25.721 17.392 -17.784 1.00 0.00 O ATOM 770 CB ASN A 51 24.119 17.479 -20.203 1.00 0.00 C ATOM 771 CG ASN A 51 24.184 17.551 -21.716 1.00 0.00 C ATOM 772 OD1 ASN A 51 24.993 16.871 -22.347 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.329 18.379 -22.306 1.00 0.00 N ATOM 0 H ASN A 51 22.913 15.294 -19.942 1.00 0.00 H new ATOM 0 HA ASN A 51 25.706 16.028 -20.191 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.077 17.512 -19.885 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.610 18.355 -19.779 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.326 18.470 -23.322 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.676 18.924 -21.743 1.00 0.00 H new ATOM 780 N LEU A 52 24.693 15.437 -17.355 1.00 0.00 N ATOM 781 CA LEU A 52 24.945 15.494 -15.919 1.00 0.00 C ATOM 782 C LEU A 52 26.349 14.997 -15.592 1.00 0.00 C ATOM 783 O LEU A 52 26.785 13.959 -16.092 1.00 0.00 O ATOM 784 CB LEU A 52 23.908 14.659 -15.166 1.00 0.00 C ATOM 785 CG LEU A 52 22.487 15.223 -15.134 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.592 14.366 -14.252 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.496 16.665 -14.647 1.00 0.00 C ATOM 0 H LEU A 52 24.183 14.609 -17.661 1.00 0.00 H new ATOM 0 HA LEU A 52 24.865 16.534 -15.602 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.874 13.667 -15.616 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.250 14.531 -14.139 1.00 0.00 H new ATOM 0 HG LEU A 52 22.087 15.206 -16.148 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.585 14.783 -14.241 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.560 13.350 -14.645 1.00 0.00 H new ATOM 0 HD13 LEU A 52 21.989 14.350 -13.237 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.476 17.050 -14.631 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.916 16.707 -13.642 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.102 17.272 -15.319 1.00 0.00 H new ATOM 799 N THR A 53 27.054 15.744 -14.747 1.00 0.00 N ATOM 800 CA THR A 53 28.408 15.378 -14.352 1.00 0.00 C ATOM 801 C THR A 53 28.592 15.500 -12.843 1.00 0.00 C ATOM 802 O THR A 53 27.693 15.951 -12.135 1.00 0.00 O ATOM 803 CB THR A 53 29.457 16.259 -15.058 1.00 0.00 C ATOM 804 OG1 THR A 53 29.399 17.595 -14.546 1.00 0.00 O ATOM 805 CG2 THR A 53 29.225 16.276 -16.561 1.00 0.00 C ATOM 0 H THR A 53 26.709 16.606 -14.324 1.00 0.00 H new ATOM 0 HA THR A 53 28.555 14.340 -14.651 1.00 0.00 H new ATOM 0 HB THR A 53 30.444 15.838 -14.863 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.464 17.881 -14.483 1.00 0.00 H new ATOM 0 HG21 THR A 53 29.977 16.904 -17.038 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.298 15.261 -16.952 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.233 16.675 -16.771 1.00 0.00 H new ATOM 813 N GLN A 54 29.762 15.094 -12.360 1.00 0.00 N ATOM 814 CA GLN A 54 30.062 15.158 -10.934 1.00 0.00 C ATOM 815 C GLN A 54 29.964 16.591 -10.421 1.00 0.00 C ATOM 816 O GLN A 54 29.642 16.822 -9.256 1.00 0.00 O ATOM 817 CB GLN A 54 31.460 14.601 -10.661 1.00 0.00 C ATOM 818 CG GLN A 54 31.676 14.181 -9.216 1.00 0.00 C ATOM 819 CD GLN A 54 33.006 13.487 -9.002 1.00 0.00 C ATOM 820 OE1 GLN A 54 34.043 13.944 -9.485 1.00 0.00 O ATOM 821 NE2 GLN A 54 32.985 12.377 -8.274 1.00 0.00 N ATOM 0 H GLN A 54 30.517 14.718 -12.934 1.00 0.00 H new ATOM 0 HA GLN A 54 29.327 14.551 -10.406 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.633 13.742 -11.310 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.201 15.355 -10.926 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.622 15.060 -8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.869 13.514 -8.911 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.103 12.034 -7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 54 33.850 11.868 -8.096 1.00 0.00 H new ATOM 830 N GLU A 55 30.244 17.550 -11.299 1.00 0.00 N ATOM 831 CA GLU A 55 30.186 18.960 -10.933 1.00 0.00 C ATOM 832 C GLU A 55 28.743 19.408 -10.719 1.00 0.00 C ATOM 833 O GLU A 55 28.489 20.445 -10.107 1.00 0.00 O ATOM 834 CB GLU A 55 30.843 19.818 -12.017 1.00 0.00 C ATOM 835 CG GLU A 55 29.862 20.355 -13.045 1.00 0.00 C ATOM 836 CD GLU A 55 30.552 21.049 -14.203 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.183 20.349 -15.023 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.462 22.292 -14.290 1.00 0.00 O ATOM 0 H GLU A 55 30.513 17.376 -12.267 1.00 0.00 H new ATOM 0 HA GLU A 55 30.730 19.089 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.356 20.656 -11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.603 19.226 -12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.256 19.533 -13.427 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.181 21.055 -12.561 1.00 0.00 H new ATOM 845 N ASP A 56 27.803 18.619 -11.228 1.00 0.00 N ATOM 846 CA ASP A 56 26.386 18.933 -11.093 1.00 0.00 C ATOM 847 C ASP A 56 25.837 18.408 -9.771 1.00 0.00 C ATOM 848 O ASP A 56 24.757 18.805 -9.333 1.00 0.00 O ATOM 849 CB ASP A 56 25.596 18.339 -12.260 1.00 0.00 C ATOM 850 CG ASP A 56 25.895 19.032 -13.575 1.00 0.00 C ATOM 851 OD1 ASP A 56 25.221 20.037 -13.883 1.00 0.00 O ATOM 852 OD2 ASP A 56 26.804 18.570 -14.295 1.00 0.00 O ATOM 0 H ASP A 56 27.997 17.757 -11.738 1.00 0.00 H new ATOM 0 HA ASP A 56 26.277 20.017 -11.106 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.830 17.278 -12.350 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.529 18.413 -12.048 1.00 0.00 H new ATOM 857 N PHE A 57 26.586 17.510 -9.139 1.00 0.00 N ATOM 858 CA PHE A 57 26.174 16.929 -7.867 1.00 0.00 C ATOM 859 C PHE A 57 26.526 17.855 -6.706 1.00 0.00 C ATOM 860 O PHE A 57 25.693 18.133 -5.844 1.00 0.00 O ATOM 861 CB PHE A 57 26.839 15.565 -7.666 1.00 0.00 C ATOM 862 CG PHE A 57 26.224 14.471 -8.492 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.621 14.270 -9.804 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.251 13.645 -7.955 1.00 0.00 C ATOM 865 CE1 PHE A 57 26.056 13.264 -10.566 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.683 12.637 -8.712 1.00 0.00 C ATOM 867 CZ PHE A 57 25.087 12.446 -10.019 1.00 0.00 C ATOM 0 H PHE A 57 27.482 17.169 -9.488 1.00 0.00 H new ATOM 0 HA PHE A 57 25.092 16.799 -7.889 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.897 15.646 -7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.778 15.292 -6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.380 14.906 -10.236 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.932 13.790 -6.933 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.372 13.118 -11.588 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.924 12.000 -8.282 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.646 11.658 -10.612 1.00 0.00 H new ATOM 877 N LYS A 58 27.768 18.329 -6.691 1.00 0.00 N ATOM 878 CA LYS A 58 28.232 19.224 -5.639 1.00 0.00 C ATOM 879 C LYS A 58 27.233 20.353 -5.403 1.00 0.00 C ATOM 880 O LYS A 58 27.158 20.912 -4.309 1.00 0.00 O ATOM 881 CB LYS A 58 29.599 19.807 -6.003 1.00 0.00 C ATOM 882 CG LYS A 58 29.820 19.951 -7.499 1.00 0.00 C ATOM 883 CD LYS A 58 30.930 20.942 -7.806 1.00 0.00 C ATOM 884 CE LYS A 58 30.392 22.359 -7.932 1.00 0.00 C ATOM 885 NZ LYS A 58 29.687 22.797 -6.696 1.00 0.00 N ATOM 0 H LYS A 58 28.471 18.107 -7.396 1.00 0.00 H new ATOM 0 HA LYS A 58 28.323 18.646 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.705 20.785 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 58 30.379 19.168 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.070 18.980 -7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 58 28.896 20.280 -7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.681 20.905 -7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 58 31.428 20.657 -8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 58 31.215 23.042 -8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 58 29.708 22.414 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 29.380 23.785 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 28.857 22.191 -6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 30.332 22.721 -5.883 1.00 0.00 H new ATOM 899 N LYS A 59 26.465 20.682 -6.437 1.00 0.00 N ATOM 900 CA LYS A 59 25.468 21.741 -6.343 1.00 0.00 C ATOM 901 C LYS A 59 24.082 21.217 -6.703 1.00 0.00 C ATOM 902 O LYS A 59 23.931 20.159 -7.316 1.00 0.00 O ATOM 903 CB LYS A 59 25.841 22.904 -7.265 1.00 0.00 C ATOM 904 CG LYS A 59 26.685 22.488 -8.457 1.00 0.00 C ATOM 905 CD LYS A 59 26.693 23.559 -9.536 1.00 0.00 C ATOM 906 CE LYS A 59 27.019 22.972 -10.901 1.00 0.00 C ATOM 907 NZ LYS A 59 28.482 22.988 -11.177 1.00 0.00 N ATOM 0 H LYS A 59 26.515 20.230 -7.350 1.00 0.00 H new ATOM 0 HA LYS A 59 25.446 22.095 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.928 23.379 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.384 23.653 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.706 22.292 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.298 21.557 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.720 24.048 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.426 24.326 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 59 26.651 21.947 -10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 59 26.498 23.537 -11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 28.641 23.080 -12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 28.919 23.793 -10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 28.909 22.102 -10.838 1.00 0.00 H new ATOM 921 N PRO A 60 23.043 21.973 -6.317 1.00 0.00 N ATOM 922 CA PRO A 60 21.651 21.605 -6.591 1.00 0.00 C ATOM 923 C PRO A 60 21.304 21.712 -8.072 1.00 0.00 C ATOM 924 O PRO A 60 22.038 22.301 -8.865 1.00 0.00 O ATOM 925 CB PRO A 60 20.848 22.624 -5.779 1.00 0.00 C ATOM 926 CG PRO A 60 21.752 23.801 -5.648 1.00 0.00 C ATOM 927 CD PRO A 60 23.148 23.245 -5.583 1.00 0.00 C ATOM 0 HA PRO A 60 21.444 20.569 -6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.921 22.892 -6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.574 22.225 -4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.640 24.476 -6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.518 24.375 -4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.870 23.917 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.471 23.090 -4.554 1.00 0.00 H new ATOM 935 N PRO A 61 20.158 21.129 -8.455 1.00 0.00 N ATOM 936 CA PRO A 61 19.277 20.423 -7.520 1.00 0.00 C ATOM 937 C PRO A 61 19.889 19.118 -7.021 1.00 0.00 C ATOM 938 O PRO A 61 19.663 18.711 -5.881 1.00 0.00 O ATOM 939 CB PRO A 61 18.026 20.142 -8.355 1.00 0.00 C ATOM 940 CG PRO A 61 18.507 20.121 -9.765 1.00 0.00 C ATOM 941 CD PRO A 61 19.635 21.114 -9.832 1.00 0.00 C ATOM 0 HA PRO A 61 19.083 21.008 -6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.571 19.191 -8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.270 20.913 -8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.847 19.124 -10.047 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.707 20.392 -10.454 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.398 20.808 -10.548 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.285 22.099 -10.140 1.00 0.00 H new ATOM 949 N LEU A 62 20.663 18.466 -7.881 1.00 0.00 N ATOM 950 CA LEU A 62 21.309 17.206 -7.527 1.00 0.00 C ATOM 951 C LEU A 62 22.371 17.422 -6.454 1.00 0.00 C ATOM 952 O LEU A 62 23.483 17.863 -6.746 1.00 0.00 O ATOM 953 CB LEU A 62 21.941 16.569 -8.766 1.00 0.00 C ATOM 954 CG LEU A 62 21.029 16.421 -9.984 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.839 16.501 -11.269 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.258 15.111 -9.918 1.00 0.00 C ATOM 0 H LEU A 62 20.859 18.788 -8.829 1.00 0.00 H new ATOM 0 HA LEU A 62 20.548 16.535 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.806 17.166 -9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.312 15.581 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 62 20.311 17.241 -9.979 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.174 16.394 -12.126 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.345 17.465 -11.321 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.580 15.702 -11.283 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.614 15.023 -10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.959 14.277 -9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.647 15.093 -9.015 1.00 0.00 H new ATOM 968 N TYR A 63 22.022 17.107 -5.212 1.00 0.00 N ATOM 969 CA TYR A 63 22.945 17.266 -4.095 1.00 0.00 C ATOM 970 C TYR A 63 22.641 16.260 -2.989 1.00 0.00 C ATOM 971 O TYR A 63 21.501 16.138 -2.541 1.00 0.00 O ATOM 972 CB TYR A 63 22.867 18.689 -3.540 1.00 0.00 C ATOM 973 CG TYR A 63 23.880 18.972 -2.453 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.242 18.960 -2.726 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.474 19.250 -1.154 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.171 19.217 -1.736 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.396 19.509 -0.158 1.00 0.00 C ATOM 978 CZ TYR A 63 25.743 19.491 -0.454 1.00 0.00 C ATOM 979 OH TYR A 63 26.664 19.748 0.536 1.00 0.00 O ATOM 0 H TYR A 63 21.106 16.740 -4.953 1.00 0.00 H new ATOM 0 HA TYR A 63 23.954 17.081 -4.462 1.00 0.00 H new ATOM 0 HB2 TYR A 63 23.015 19.397 -4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.866 18.862 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.580 18.746 -3.729 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.420 19.264 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.226 19.203 -1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 63 24.064 19.724 0.847 1.00 0.00 H new ATOM 0 HH TYR A 63 26.197 19.923 1.380 1.00 0.00 H new ATOM 989 N ARG A 64 23.670 15.541 -2.553 1.00 0.00 N ATOM 990 CA ARG A 64 23.514 14.543 -1.501 1.00 0.00 C ATOM 991 C ARG A 64 22.311 13.646 -1.777 1.00 0.00 C ATOM 992 O ARG A 64 21.724 13.077 -0.856 1.00 0.00 O ATOM 993 CB ARG A 64 23.353 15.226 -0.141 1.00 0.00 C ATOM 994 CG ARG A 64 24.451 16.231 0.170 1.00 0.00 C ATOM 995 CD ARG A 64 24.535 16.521 1.660 1.00 0.00 C ATOM 996 NE ARG A 64 24.947 15.347 2.424 1.00 0.00 N ATOM 997 CZ ARG A 64 25.465 15.411 3.646 1.00 0.00 C ATOM 998 NH1 ARG A 64 25.632 16.585 4.239 1.00 0.00 N ATOM 999 NH2 ARG A 64 25.816 14.298 4.277 1.00 0.00 N ATOM 0 H ARG A 64 24.621 15.631 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 64 24.411 13.924 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.389 15.733 -0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.337 14.465 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.408 15.846 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.262 17.158 -0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.243 17.332 1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.564 16.864 2.018 1.00 0.00 H new ATOM 0 HE ARG A 64 24.831 14.428 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 64 25.363 17.443 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 64 26.030 16.631 5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 64 25.688 13.393 3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 64 26.214 14.347 5.215 1.00 0.00 H new ATOM 1013 N VAL A 65 21.950 13.524 -3.050 1.00 0.00 N ATOM 1014 CA VAL A 65 20.819 12.694 -3.448 1.00 0.00 C ATOM 1015 C VAL A 65 20.968 11.272 -2.921 1.00 0.00 C ATOM 1016 O VAL A 65 19.999 10.659 -2.475 1.00 0.00 O ATOM 1017 CB VAL A 65 20.667 12.650 -4.980 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.376 11.946 -5.368 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.714 14.055 -5.561 1.00 0.00 C ATOM 0 H VAL A 65 22.424 13.989 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 65 19.927 13.146 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 65 21.501 12.083 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.286 11.924 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.389 10.926 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.527 12.483 -4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.605 14.005 -6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.902 14.649 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.669 14.519 -5.314 1.00 0.00 H new ATOM 1029 N SER A 66 22.191 10.752 -2.975 1.00 0.00 N ATOM 1030 CA SER A 66 22.467 9.399 -2.506 1.00 0.00 C ATOM 1031 C SER A 66 23.697 9.378 -1.604 1.00 0.00 C ATOM 1032 O SER A 66 24.341 10.405 -1.389 1.00 0.00 O ATOM 1033 CB SER A 66 22.676 8.457 -3.694 1.00 0.00 C ATOM 1034 OG SER A 66 23.209 7.214 -3.272 1.00 0.00 O ATOM 0 H SER A 66 23.005 11.247 -3.339 1.00 0.00 H new ATOM 0 HA SER A 66 21.608 9.059 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.727 8.295 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.350 8.920 -4.415 1.00 0.00 H new ATOM 0 HG SER A 66 23.331 6.630 -4.049 1.00 0.00 H new ATOM 1040 N SER A 67 24.018 8.199 -1.079 1.00 0.00 N ATOM 1041 CA SER A 67 25.169 8.043 -0.198 1.00 0.00 C ATOM 1042 C SER A 67 26.362 7.471 -0.958 1.00 0.00 C ATOM 1043 O SER A 67 27.223 6.811 -0.377 1.00 0.00 O ATOM 1044 CB SER A 67 24.817 7.133 0.980 1.00 0.00 C ATOM 1045 OG SER A 67 24.483 5.830 0.535 1.00 0.00 O ATOM 0 H SER A 67 23.497 7.339 -1.249 1.00 0.00 H new ATOM 0 HA SER A 67 25.440 9.028 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 67 25.661 7.081 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.980 7.557 1.534 1.00 0.00 H new ATOM 0 HG SER A 67 24.264 5.267 1.307 1.00 0.00 H new ATOM 1051 N ASP A 68 26.405 7.731 -2.260 1.00 0.00 N ATOM 1052 CA ASP A 68 27.492 7.244 -3.101 1.00 0.00 C ATOM 1053 C ASP A 68 28.201 8.401 -3.797 1.00 0.00 C ATOM 1054 O ASP A 68 28.877 8.211 -4.807 1.00 0.00 O ATOM 1055 CB ASP A 68 26.958 6.257 -4.141 1.00 0.00 C ATOM 1056 CG ASP A 68 26.404 4.995 -3.511 1.00 0.00 C ATOM 1057 OD1 ASP A 68 27.071 4.438 -2.614 1.00 0.00 O ATOM 1058 OD2 ASP A 68 25.303 4.564 -3.914 1.00 0.00 O ATOM 0 H ASP A 68 25.700 8.276 -2.756 1.00 0.00 H new ATOM 0 HA ASP A 68 28.212 6.732 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 68 26.177 6.740 -4.728 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.759 5.993 -4.832 1.00 0.00 H new ATOM 1063 N ASN A 69 28.040 9.602 -3.250 1.00 0.00 N ATOM 1064 CA ASN A 69 28.663 10.791 -3.820 1.00 0.00 C ATOM 1065 C ASN A 69 28.245 10.979 -5.275 1.00 0.00 C ATOM 1066 O ASN A 69 29.058 11.346 -6.123 1.00 0.00 O ATOM 1067 CB ASN A 69 30.186 10.691 -3.723 1.00 0.00 C ATOM 1068 CG ASN A 69 30.665 10.513 -2.295 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.112 11.101 -1.366 1.00 0.00 O ATOM 1070 ND2 ASN A 69 31.698 9.698 -2.115 1.00 0.00 N ATOM 0 H ASN A 69 27.484 9.777 -2.413 1.00 0.00 H new ATOM 0 HA ASN A 69 28.326 11.656 -3.249 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.531 9.851 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.634 11.591 -4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 69 32.064 9.538 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 69 32.125 9.232 -2.915 1.00 0.00 H new ATOM 1077 N GLY A 70 26.971 10.725 -5.558 1.00 0.00 N ATOM 1078 CA GLY A 70 26.467 10.872 -6.911 1.00 0.00 C ATOM 1079 C GLY A 70 27.171 9.958 -7.894 1.00 0.00 C ATOM 1080 O GLY A 70 27.377 10.322 -9.051 1.00 0.00 O ATOM 0 H GLY A 70 26.279 10.420 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.398 10.659 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.589 11.907 -7.230 1.00 0.00 H new ATOM 1084 N GLN A 71 27.542 8.768 -7.432 1.00 0.00 N ATOM 1085 CA GLN A 71 28.230 7.801 -8.279 1.00 0.00 C ATOM 1086 C GLN A 71 27.231 6.947 -9.053 1.00 0.00 C ATOM 1087 O GLN A 71 27.195 6.978 -10.283 1.00 0.00 O ATOM 1088 CB GLN A 71 29.137 6.905 -7.433 1.00 0.00 C ATOM 1089 CG GLN A 71 29.794 5.785 -8.224 1.00 0.00 C ATOM 1090 CD GLN A 71 30.897 6.285 -9.137 1.00 0.00 C ATOM 1091 OE1 GLN A 71 31.703 7.131 -8.750 1.00 0.00 O ATOM 1092 NE2 GLN A 71 30.937 5.763 -10.357 1.00 0.00 N ATOM 0 H GLN A 71 27.378 8.451 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 71 28.840 8.352 -8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.913 7.518 -6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.551 6.471 -6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.205 5.050 -7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.038 5.274 -8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.248 5.064 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.656 6.061 -11.016 1.00 0.00 H new ATOM 1101 N ARG A 72 26.421 6.186 -8.324 1.00 0.00 N ATOM 1102 CA ARG A 72 25.423 5.322 -8.943 1.00 0.00 C ATOM 1103 C ARG A 72 24.852 5.966 -10.202 1.00 0.00 C ATOM 1104 O ARG A 72 24.919 5.393 -11.291 1.00 0.00 O ATOM 1105 CB ARG A 72 24.295 5.021 -7.954 1.00 0.00 C ATOM 1106 CG ARG A 72 23.229 4.091 -8.511 1.00 0.00 C ATOM 1107 CD ARG A 72 22.473 3.382 -7.399 1.00 0.00 C ATOM 1108 NE ARG A 72 23.248 2.288 -6.821 1.00 0.00 N ATOM 1109 CZ ARG A 72 22.939 1.694 -5.674 1.00 0.00 C ATOM 1110 NH1 ARG A 72 21.876 2.086 -4.986 1.00 0.00 N ATOM 1111 NH2 ARG A 72 23.694 0.704 -5.213 1.00 0.00 N ATOM 0 H ARG A 72 26.436 6.150 -7.305 1.00 0.00 H new ATOM 0 HA ARG A 72 25.910 4.388 -9.223 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.721 4.575 -7.055 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.827 5.958 -7.654 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.529 4.662 -9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.694 3.353 -9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.220 4.099 -6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.533 2.993 -7.791 1.00 0.00 H new ATOM 0 HE ARG A 72 24.072 1.962 -7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.293 2.846 -5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.641 1.628 -4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.512 0.399 -5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.456 0.249 -4.332 1.00 0.00 H new ATOM 1125 N LEU A 73 24.290 7.160 -10.047 1.00 0.00 N ATOM 1126 CA LEU A 73 23.705 7.882 -11.172 1.00 0.00 C ATOM 1127 C LEU A 73 24.737 8.104 -12.273 1.00 0.00 C ATOM 1128 O LEU A 73 24.594 7.594 -13.385 1.00 0.00 O ATOM 1129 CB LEU A 73 23.144 9.226 -10.704 1.00 0.00 C ATOM 1130 CG LEU A 73 22.466 10.080 -11.776 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.300 9.328 -12.399 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.997 11.402 -11.186 1.00 0.00 C ATOM 0 H LEU A 73 24.227 7.648 -9.154 1.00 0.00 H new ATOM 0 HA LEU A 73 22.894 7.278 -11.577 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.424 9.039 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.958 9.805 -10.268 1.00 0.00 H new ATOM 0 HG LEU A 73 23.194 10.292 -12.559 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.830 9.951 -13.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.663 8.408 -12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.570 9.085 -11.627 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.517 11.997 -11.963 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.285 11.210 -10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.853 11.947 -10.788 1.00 0.00 H new ATOM 1144 N LEU A 74 25.778 8.865 -11.955 1.00 0.00 N ATOM 1145 CA LEU A 74 26.836 9.154 -12.917 1.00 0.00 C ATOM 1146 C LEU A 74 27.184 7.913 -13.733 1.00 0.00 C ATOM 1147 O LEU A 74 27.326 7.981 -14.954 1.00 0.00 O ATOM 1148 CB LEU A 74 28.083 9.668 -12.195 1.00 0.00 C ATOM 1149 CG LEU A 74 28.105 11.164 -11.877 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.404 11.542 -11.182 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.920 11.982 -13.146 1.00 0.00 C ATOM 0 H LEU A 74 25.912 9.293 -11.039 1.00 0.00 H new ATOM 0 HA LEU A 74 26.473 9.925 -13.597 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.191 9.117 -11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.955 9.434 -12.806 1.00 0.00 H new ATOM 0 HG LEU A 74 27.278 11.385 -11.203 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.402 12.610 -10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.496 10.981 -10.252 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.246 11.306 -11.832 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.938 13.044 -12.900 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.726 11.757 -13.845 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.963 11.732 -13.604 1.00 0.00 H new ATOM 1163 N ASP A 75 27.317 6.781 -13.051 1.00 0.00 N ATOM 1164 CA ASP A 75 27.643 5.523 -13.714 1.00 0.00 C ATOM 1165 C ASP A 75 26.517 5.094 -14.650 1.00 0.00 C ATOM 1166 O ASP A 75 26.761 4.704 -15.791 1.00 0.00 O ATOM 1167 CB ASP A 75 27.906 4.430 -12.677 1.00 0.00 C ATOM 1168 CG ASP A 75 28.901 3.396 -13.166 1.00 0.00 C ATOM 1169 OD1 ASP A 75 28.548 2.616 -14.075 1.00 0.00 O ATOM 1170 OD2 ASP A 75 30.033 3.366 -12.639 1.00 0.00 O ATOM 0 H ASP A 75 27.204 6.708 -12.040 1.00 0.00 H new ATOM 0 HA ASP A 75 28.545 5.676 -14.307 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.281 4.885 -11.760 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.967 3.937 -12.427 1.00 0.00 H new ATOM 1175 N MET A 76 25.285 5.168 -14.158 1.00 0.00 N ATOM 1176 CA MET A 76 24.122 4.787 -14.951 1.00 0.00 C ATOM 1177 C MET A 76 24.009 5.655 -16.201 1.00 0.00 C ATOM 1178 O MET A 76 23.523 5.204 -17.238 1.00 0.00 O ATOM 1179 CB MET A 76 22.846 4.908 -14.115 1.00 0.00 C ATOM 1180 CG MET A 76 22.696 3.811 -13.073 1.00 0.00 C ATOM 1181 SD MET A 76 22.722 2.159 -13.796 1.00 0.00 S ATOM 1182 CE MET A 76 21.356 2.272 -14.948 1.00 0.00 C ATOM 0 H MET A 76 25.066 5.488 -13.215 1.00 0.00 H new ATOM 0 HA MET A 76 24.248 3.749 -15.260 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.840 5.876 -13.615 1.00 0.00 H new ATOM 0 HB3 MET A 76 21.982 4.887 -14.780 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.500 3.897 -12.343 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.759 3.953 -12.534 1.00 0.00 H new ATOM 0 HE1 MET A 76 20.912 1.286 -15.083 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.605 2.958 -14.556 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.719 2.641 -15.907 1.00 0.00 H new ATOM 1192 N ILE A 77 24.459 6.900 -16.094 1.00 0.00 N ATOM 1193 CA ILE A 77 24.408 7.829 -17.216 1.00 0.00 C ATOM 1194 C ILE A 77 25.609 7.644 -18.138 1.00 0.00 C ATOM 1195 O ILE A 77 25.485 7.732 -19.359 1.00 0.00 O ATOM 1196 CB ILE A 77 24.365 9.291 -16.735 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.157 9.516 -15.823 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.322 10.239 -17.924 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.112 10.898 -15.209 1.00 0.00 C ATOM 0 H ILE A 77 24.863 7.289 -15.242 1.00 0.00 H new ATOM 0 HA ILE A 77 23.493 7.609 -17.766 1.00 0.00 H new ATOM 0 HB ILE A 77 25.270 9.497 -16.164 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.244 9.352 -16.396 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.171 8.773 -15.025 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.292 11.269 -17.568 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.211 10.093 -18.538 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.432 10.035 -18.520 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.230 10.986 -14.575 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.008 11.059 -14.609 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.066 11.646 -16.000 1.00 0.00 H new ATOM 1211 N GLU A 78 26.770 7.386 -17.544 1.00 0.00 N ATOM 1212 CA GLU A 78 27.993 7.186 -18.312 1.00 0.00 C ATOM 1213 C GLU A 78 27.778 6.157 -19.418 1.00 0.00 C ATOM 1214 O GLU A 78 28.407 6.222 -20.475 1.00 0.00 O ATOM 1215 CB GLU A 78 29.130 6.734 -17.394 1.00 0.00 C ATOM 1216 CG GLU A 78 30.505 7.179 -17.864 1.00 0.00 C ATOM 1217 CD GLU A 78 31.133 6.202 -18.839 1.00 0.00 C ATOM 1218 OE1 GLU A 78 30.827 6.291 -20.047 1.00 0.00 O ATOM 1219 OE2 GLU A 78 31.930 5.349 -18.395 1.00 0.00 O ATOM 0 H GLU A 78 26.889 7.311 -16.534 1.00 0.00 H new ATOM 0 HA GLU A 78 28.263 8.137 -18.771 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.954 7.125 -16.392 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.115 5.647 -17.319 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.424 8.157 -18.338 1.00 0.00 H new ATOM 0 HG3 GLU A 78 31.160 7.296 -17.000 1.00 0.00 H new ATOM 1226 N THR A 79 26.884 5.205 -19.168 1.00 0.00 N ATOM 1227 CA THR A 79 26.585 4.161 -20.140 1.00 0.00 C ATOM 1228 C THR A 79 25.658 4.678 -21.235 1.00 0.00 C ATOM 1229 O THR A 79 25.604 4.120 -22.331 1.00 0.00 O ATOM 1230 CB THR A 79 25.935 2.937 -19.469 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.068 1.788 -20.312 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.464 3.194 -19.182 1.00 0.00 C ATOM 0 H THR A 79 26.354 5.136 -18.299 1.00 0.00 H new ATOM 0 HA THR A 79 27.535 3.861 -20.583 1.00 0.00 H new ATOM 0 HB THR A 79 26.446 2.755 -18.524 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.653 1.014 -19.877 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.027 2.315 -18.708 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.368 4.051 -18.516 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.942 3.400 -20.116 1.00 0.00 H new ATOM 1240 N LEU A 80 24.931 5.748 -20.931 1.00 0.00 N ATOM 1241 CA LEU A 80 24.006 6.341 -21.890 1.00 0.00 C ATOM 1242 C LEU A 80 24.759 7.128 -22.958 1.00 0.00 C ATOM 1243 O LEU A 80 24.323 7.212 -24.107 1.00 0.00 O ATOM 1244 CB LEU A 80 23.012 7.256 -21.172 1.00 0.00 C ATOM 1245 CG LEU A 80 22.137 6.592 -20.108 1.00 0.00 C ATOM 1246 CD1 LEU A 80 21.071 7.558 -19.615 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.498 5.325 -20.658 1.00 0.00 C ATOM 0 H LEU A 80 24.964 6.222 -20.029 1.00 0.00 H new ATOM 0 HA LEU A 80 23.460 5.533 -22.377 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.569 8.066 -20.702 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.360 7.709 -21.919 1.00 0.00 H new ATOM 0 HG LEU A 80 22.769 6.319 -19.263 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.458 7.068 -18.858 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.549 8.437 -19.182 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.441 7.862 -20.451 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.879 4.866 -19.887 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.879 5.574 -21.520 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.278 4.626 -20.961 1.00 0.00 H new ATOM 1259 N LYS A 81 25.893 7.703 -22.572 1.00 0.00 N ATOM 1260 CA LYS A 81 26.709 8.482 -23.496 1.00 0.00 C ATOM 1261 C LYS A 81 27.522 7.568 -24.408 1.00 0.00 C ATOM 1262 O LYS A 81 27.402 7.631 -25.631 1.00 0.00 O ATOM 1263 CB LYS A 81 27.647 9.411 -22.721 1.00 0.00 C ATOM 1264 CG LYS A 81 26.954 10.636 -22.151 1.00 0.00 C ATOM 1265 CD LYS A 81 26.483 10.398 -20.725 1.00 0.00 C ATOM 1266 CE LYS A 81 27.568 10.742 -19.716 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.033 12.149 -19.860 1.00 0.00 N ATOM 0 H LYS A 81 26.268 7.644 -21.625 1.00 0.00 H new ATOM 0 HA LYS A 81 26.041 9.082 -24.114 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.107 8.852 -21.906 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.452 9.733 -23.381 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.638 11.485 -22.172 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.101 10.897 -22.778 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.597 11.001 -20.528 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.191 9.354 -20.606 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.188 10.587 -18.706 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.413 10.065 -19.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.515 12.446 -18.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.694 12.216 -20.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.216 12.769 -20.033 1.00 0.00 H new ATOM 1281 N MET A 82 28.346 6.719 -23.804 1.00 0.00 N ATOM 1282 CA MET A 82 29.177 5.791 -24.562 1.00 0.00 C ATOM 1283 C MET A 82 28.459 5.326 -25.826 1.00 0.00 C ATOM 1284 O MET A 82 29.089 5.090 -26.856 1.00 0.00 O ATOM 1285 CB MET A 82 29.548 4.583 -23.700 1.00 0.00 C ATOM 1286 CG MET A 82 28.487 3.494 -23.689 1.00 0.00 C ATOM 1287 SD MET A 82 29.071 1.962 -22.939 1.00 0.00 S ATOM 1288 CE MET A 82 29.393 2.507 -21.263 1.00 0.00 C ATOM 0 H MET A 82 28.456 6.654 -22.792 1.00 0.00 H new ATOM 0 HA MET A 82 30.088 6.314 -24.853 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.485 4.162 -24.064 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.724 4.917 -22.678 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.612 3.850 -23.145 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.167 3.294 -24.711 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.399 2.206 -20.969 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.309 3.593 -21.211 1.00 0.00 H new ATOM 0 HE3 MET A 82 28.667 2.054 -20.587 1.00 0.00 H new