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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 MET CE :methyl -125:sc= -1.91! (180deg=-2.58!) USER MOD Set 2.1: A 32 ASN : amide:sc= 0.334 X(o=0.32,f=-0.011) USER MOD Set 2.2: A 76 MET CE :methyl -155:sc= -0.0105 (180deg=-0.184) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.174 (180deg=-0.428) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 154:sc= -0.185 (180deg=-0.777) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 43 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.00035) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.95 X(o=-1.9,f=-2.1!) USER MOD Single : A 51 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.8) USER MOD Single : A 53 THR OG1 : rot -140:sc= -0.292 USER MOD Single : A 54 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.165 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.146 K(o=-0.15,f=-1) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= -1.63 (180deg=-2.21) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.661 4.800 -27.994 1.00 0.00 N ATOM 179 CA LYS A 15 21.817 5.302 -28.729 1.00 0.00 C ATOM 180 C LYS A 15 21.846 6.827 -28.720 1.00 0.00 C ATOM 181 O LYS A 15 22.904 7.436 -28.872 1.00 0.00 O ATOM 182 CB LYS A 15 21.791 4.789 -30.170 1.00 0.00 C ATOM 183 CG LYS A 15 22.509 3.464 -30.357 1.00 0.00 C ATOM 184 CD LYS A 15 21.687 2.304 -29.818 1.00 0.00 C ATOM 185 CE LYS A 15 22.159 0.975 -30.387 1.00 0.00 C ATOM 186 NZ LYS A 15 21.454 0.631 -31.653 1.00 0.00 N ATOM 0 HA LYS A 15 22.718 4.937 -28.236 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.755 4.679 -30.489 1.00 0.00 H new ATOM 0 HB3 LYS A 15 22.247 5.535 -30.821 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.713 3.306 -31.416 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.472 3.496 -29.848 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.757 2.281 -28.731 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.636 2.455 -30.066 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.233 1.019 -30.570 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.993 0.186 -29.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.804 -0.282 -32.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.432 0.564 -31.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.633 1.370 -32.362 1.00 0.00 H new ATOM 200 N GLU A 16 20.678 7.436 -28.541 1.00 0.00 N ATOM 201 CA GLU A 16 20.572 8.890 -28.513 1.00 0.00 C ATOM 202 C GLU A 16 20.317 9.389 -27.093 1.00 0.00 C ATOM 203 O GLU A 16 21.035 10.252 -26.588 1.00 0.00 O ATOM 204 CB GLU A 16 19.450 9.360 -29.440 1.00 0.00 C ATOM 205 CG GLU A 16 18.345 8.334 -29.627 1.00 0.00 C ATOM 206 CD GLU A 16 17.184 8.870 -30.442 1.00 0.00 C ATOM 207 OE1 GLU A 16 17.389 9.176 -31.635 1.00 0.00 O ATOM 208 OE2 GLU A 16 16.071 8.983 -29.888 1.00 0.00 O ATOM 0 H GLU A 16 19.793 6.946 -28.413 1.00 0.00 H new ATOM 0 HA GLU A 16 21.518 9.305 -28.861 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.019 10.277 -29.039 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.874 9.607 -30.413 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.753 7.451 -30.120 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.982 8.015 -28.650 1.00 0.00 H new ATOM 215 N VAL A 17 19.288 8.840 -26.456 1.00 0.00 N ATOM 216 CA VAL A 17 18.937 9.228 -25.094 1.00 0.00 C ATOM 217 C VAL A 17 19.061 10.735 -24.903 1.00 0.00 C ATOM 218 O VAL A 17 19.261 11.216 -23.788 1.00 0.00 O ATOM 219 CB VAL A 17 19.829 8.515 -24.060 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.227 9.115 -24.058 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.205 8.593 -22.676 1.00 0.00 C ATOM 0 H VAL A 17 18.683 8.126 -26.860 1.00 0.00 H new ATOM 0 HA VAL A 17 17.901 8.929 -24.936 1.00 0.00 H new ATOM 0 HB VAL A 17 19.911 7.464 -24.338 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.843 8.599 -23.322 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.672 9.003 -25.046 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.168 10.173 -23.804 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.848 8.084 -21.958 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.092 9.638 -22.386 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.227 8.113 -22.690 1.00 0.00 H new ATOM 231 N VAL A 18 18.941 11.477 -26.000 1.00 0.00 N ATOM 232 CA VAL A 18 19.037 12.931 -25.953 1.00 0.00 C ATOM 233 C VAL A 18 17.720 13.583 -26.360 1.00 0.00 C ATOM 234 O VAL A 18 17.307 14.587 -25.779 1.00 0.00 O ATOM 235 CB VAL A 18 20.159 13.449 -26.873 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.524 13.104 -26.298 1.00 0.00 C ATOM 237 CG2 VAL A 18 20.003 12.880 -28.275 1.00 0.00 C ATOM 0 H VAL A 18 18.777 11.095 -26.931 1.00 0.00 H new ATOM 0 HA VAL A 18 19.268 13.200 -24.922 1.00 0.00 H new ATOM 0 HB VAL A 18 20.082 14.534 -26.935 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.304 13.478 -26.962 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.632 13.564 -25.316 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.616 12.022 -26.204 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.804 13.256 -28.912 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.053 11.792 -28.234 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.040 13.184 -28.686 1.00 0.00 H new ATOM 247 N TYR A 19 17.065 13.005 -27.360 1.00 0.00 N ATOM 248 CA TYR A 19 15.795 13.531 -27.847 1.00 0.00 C ATOM 249 C TYR A 19 14.629 12.981 -27.031 1.00 0.00 C ATOM 250 O TYR A 19 13.465 13.202 -27.364 1.00 0.00 O ATOM 251 CB TYR A 19 15.607 13.183 -29.324 1.00 0.00 C ATOM 252 CG TYR A 19 16.836 13.439 -30.167 1.00 0.00 C ATOM 253 CD1 TYR A 19 17.096 14.701 -30.686 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.737 12.418 -30.446 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.218 14.939 -31.458 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.861 12.647 -31.215 1.00 0.00 C ATOM 257 CZ TYR A 19 19.097 13.909 -31.719 1.00 0.00 C ATOM 258 OH TYR A 19 20.215 14.141 -32.487 1.00 0.00 O ATOM 0 H TYR A 19 17.392 12.172 -27.850 1.00 0.00 H new ATOM 0 HA TYR A 19 15.814 14.615 -27.736 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.331 12.132 -29.409 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.776 13.764 -29.723 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.410 15.510 -30.483 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.555 11.428 -30.054 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.405 15.926 -31.854 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.551 11.842 -31.421 1.00 0.00 H new ATOM 0 HH TYR A 19 20.730 13.312 -32.574 1.00 0.00 H new ATOM 268 N TRP A 20 14.952 12.264 -25.961 1.00 0.00 N ATOM 269 CA TRP A 20 13.932 11.682 -25.095 1.00 0.00 C ATOM 270 C TRP A 20 12.961 12.750 -24.603 1.00 0.00 C ATOM 271 O TRP A 20 13.061 13.916 -24.985 1.00 0.00 O ATOM 272 CB TRP A 20 14.585 10.980 -23.904 1.00 0.00 C ATOM 273 CG TRP A 20 15.069 9.597 -24.221 1.00 0.00 C ATOM 274 CD1 TRP A 20 15.025 8.972 -25.434 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.668 8.669 -23.310 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.561 7.711 -25.332 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.963 7.501 -24.040 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.986 8.712 -21.950 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.559 6.388 -23.453 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.577 7.606 -21.369 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.859 6.457 -22.120 1.00 0.00 C ATOM 0 H TRP A 20 15.911 12.071 -25.672 1.00 0.00 H new ATOM 0 HA TRP A 20 13.372 10.950 -25.676 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.425 11.580 -23.554 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.868 10.927 -23.085 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.628 9.405 -26.340 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.646 7.040 -26.095 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.774 9.594 -21.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.777 5.501 -24.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.826 7.628 -20.318 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.322 5.609 -21.637 1.00 0.00 H new ATOM 292 N SER A 21 12.023 12.344 -23.753 1.00 0.00 N ATOM 293 CA SER A 21 11.032 13.267 -23.212 1.00 0.00 C ATOM 294 C SER A 21 11.222 13.447 -21.709 1.00 0.00 C ATOM 295 O SER A 21 11.946 12.695 -21.054 1.00 0.00 O ATOM 296 CB SER A 21 9.619 12.758 -23.501 1.00 0.00 C ATOM 297 OG SER A 21 9.067 13.401 -24.636 1.00 0.00 O ATOM 0 H SER A 21 11.929 11.383 -23.424 1.00 0.00 H new ATOM 0 HA SER A 21 11.169 14.234 -23.697 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.644 11.681 -23.666 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.982 12.933 -22.634 1.00 0.00 H new ATOM 0 HG SER A 21 8.164 13.057 -24.800 1.00 0.00 H new ATOM 303 N PRO A 22 10.558 14.468 -21.147 1.00 0.00 N ATOM 304 CA PRO A 22 10.637 14.772 -19.715 1.00 0.00 C ATOM 305 C PRO A 22 9.940 13.719 -18.860 1.00 0.00 C ATOM 306 O PRO A 22 10.137 13.661 -17.646 1.00 0.00 O ATOM 307 CB PRO A 22 9.918 16.118 -19.598 1.00 0.00 C ATOM 308 CG PRO A 22 8.987 16.152 -20.761 1.00 0.00 C ATOM 309 CD PRO A 22 9.678 15.404 -21.867 1.00 0.00 C ATOM 0 HA PRO A 22 11.667 14.791 -19.358 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.377 16.197 -18.655 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.624 16.948 -19.631 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.034 15.686 -20.511 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.772 17.178 -21.059 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.966 14.878 -22.503 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.246 16.074 -22.512 1.00 0.00 H new ATOM 317 N LYS A 23 9.125 12.888 -19.500 1.00 0.00 N ATOM 318 CA LYS A 23 8.400 11.835 -18.799 1.00 0.00 C ATOM 319 C LYS A 23 9.139 10.505 -18.899 1.00 0.00 C ATOM 320 O LYS A 23 8.943 9.610 -18.077 1.00 0.00 O ATOM 321 CB LYS A 23 6.988 11.691 -19.373 1.00 0.00 C ATOM 322 CG LYS A 23 5.954 12.550 -18.667 1.00 0.00 C ATOM 323 CD LYS A 23 6.335 14.021 -18.699 1.00 0.00 C ATOM 324 CE LYS A 23 5.773 14.715 -19.930 1.00 0.00 C ATOM 325 NZ LYS A 23 5.659 16.187 -19.734 1.00 0.00 N ATOM 0 H LYS A 23 8.950 12.923 -20.504 1.00 0.00 H new ATOM 0 HA LYS A 23 8.332 12.114 -17.747 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.006 11.955 -20.430 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.684 10.646 -19.310 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.982 12.415 -19.141 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.852 12.222 -17.633 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.963 14.514 -17.801 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.421 14.117 -18.690 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.416 14.511 -20.787 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.791 14.303 -20.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.588 16.656 -20.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.809 16.398 -19.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.500 16.537 -19.233 1.00 0.00 H new ATOM 339 N LYS A 24 9.991 10.382 -19.912 1.00 0.00 N ATOM 340 CA LYS A 24 10.762 9.162 -20.119 1.00 0.00 C ATOM 341 C LYS A 24 11.968 9.116 -19.187 1.00 0.00 C ATOM 342 O LYS A 24 12.150 8.156 -18.438 1.00 0.00 O ATOM 343 CB LYS A 24 11.224 9.068 -21.575 1.00 0.00 C ATOM 344 CG LYS A 24 12.385 8.110 -21.784 1.00 0.00 C ATOM 345 CD LYS A 24 12.091 6.741 -21.194 1.00 0.00 C ATOM 346 CE LYS A 24 12.791 5.637 -21.972 1.00 0.00 C ATOM 347 NZ LYS A 24 11.941 5.110 -23.075 1.00 0.00 N ATOM 0 H LYS A 24 10.165 11.113 -20.602 1.00 0.00 H new ATOM 0 HA LYS A 24 10.119 8.312 -19.893 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.385 8.750 -22.194 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.516 10.060 -21.920 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.589 8.012 -22.850 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.284 8.520 -21.324 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.414 6.715 -20.153 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.015 6.565 -21.198 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.725 6.019 -22.384 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.051 4.824 -21.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.454 4.360 -23.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.061 4.722 -22.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.714 5.880 -23.736 1.00 0.00 H new ATOM 361 N VAL A 25 12.790 10.159 -19.238 1.00 0.00 N ATOM 362 CA VAL A 25 13.978 10.239 -18.397 1.00 0.00 C ATOM 363 C VAL A 25 13.700 9.695 -17.000 1.00 0.00 C ATOM 364 O VAL A 25 14.548 9.034 -16.400 1.00 0.00 O ATOM 365 CB VAL A 25 14.488 11.688 -18.280 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.684 11.759 -17.344 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.840 12.240 -19.653 1.00 0.00 C ATOM 0 H VAL A 25 12.655 10.961 -19.854 1.00 0.00 H new ATOM 0 HA VAL A 25 14.745 9.630 -18.875 1.00 0.00 H new ATOM 0 HB VAL A 25 13.692 12.303 -17.860 1.00 0.00 H new ATOM 0 HG11 VAL A 25 16.030 12.790 -17.274 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.393 11.406 -16.355 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.487 11.132 -17.732 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.199 13.264 -19.552 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.619 11.625 -20.103 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.955 12.226 -20.289 1.00 0.00 H new ATOM 377 N ALA A 26 12.507 9.977 -16.488 1.00 0.00 N ATOM 378 CA ALA A 26 12.116 9.514 -15.162 1.00 0.00 C ATOM 379 C ALA A 26 12.016 7.993 -15.119 1.00 0.00 C ATOM 380 O ALA A 26 12.669 7.342 -14.304 1.00 0.00 O ATOM 381 CB ALA A 26 10.792 10.144 -14.753 1.00 0.00 C ATOM 0 H ALA A 26 11.794 10.524 -16.971 1.00 0.00 H new ATOM 0 HA ALA A 26 12.886 9.821 -14.455 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.512 9.790 -13.761 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.895 11.229 -14.735 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.020 9.865 -15.470 1.00 0.00 H new ATOM 387 N ASP A 27 11.195 7.434 -16.001 1.00 0.00 N ATOM 388 CA ASP A 27 11.010 5.989 -16.063 1.00 0.00 C ATOM 389 C ASP A 27 12.354 5.267 -16.043 1.00 0.00 C ATOM 390 O ASP A 27 12.488 4.201 -15.443 1.00 0.00 O ATOM 391 CB ASP A 27 10.231 5.607 -17.323 1.00 0.00 C ATOM 392 CG ASP A 27 8.730 5.650 -17.112 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.238 4.938 -16.212 1.00 0.00 O ATOM 394 OD2 ASP A 27 8.049 6.396 -17.846 1.00 0.00 O ATOM 0 H ASP A 27 10.647 7.959 -16.683 1.00 0.00 H new ATOM 0 HA ASP A 27 10.440 5.683 -15.186 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.501 6.285 -18.133 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.522 4.605 -17.637 1.00 0.00 H new ATOM 399 N TRP A 28 13.345 5.855 -16.703 1.00 0.00 N ATOM 400 CA TRP A 28 14.679 5.268 -16.761 1.00 0.00 C ATOM 401 C TRP A 28 15.316 5.227 -15.376 1.00 0.00 C ATOM 402 O TRP A 28 16.119 4.342 -15.078 1.00 0.00 O ATOM 403 CB TRP A 28 15.566 6.062 -17.721 1.00 0.00 C ATOM 404 CG TRP A 28 16.994 5.606 -17.724 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.507 4.519 -18.373 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.092 6.223 -17.043 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.857 4.424 -18.138 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.241 5.458 -17.325 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.217 7.349 -16.224 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.495 5.783 -16.816 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.463 7.670 -15.719 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.588 6.890 -16.017 1.00 0.00 C ATOM 0 H TRP A 28 13.250 6.738 -17.205 1.00 0.00 H new ATOM 0 HA TRP A 28 14.584 4.246 -17.127 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.163 5.978 -18.730 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.529 7.117 -17.450 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.935 3.835 -18.982 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.474 3.701 -18.509 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.356 7.957 -15.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.364 5.183 -17.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.571 8.537 -15.084 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.548 7.168 -15.608 1.00 0.00 H new ATOM 423 N LEU A 29 14.953 6.188 -14.534 1.00 0.00 N ATOM 424 CA LEU A 29 15.490 6.261 -13.180 1.00 0.00 C ATOM 425 C LEU A 29 14.867 5.192 -12.288 1.00 0.00 C ATOM 426 O LEU A 29 15.570 4.477 -11.574 1.00 0.00 O ATOM 427 CB LEU A 29 15.239 7.648 -12.585 1.00 0.00 C ATOM 428 CG LEU A 29 15.903 8.820 -13.309 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.288 10.138 -12.867 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.404 8.819 -13.059 1.00 0.00 C ATOM 0 H LEU A 29 14.289 6.927 -14.765 1.00 0.00 H new ATOM 0 HA LEU A 29 16.564 6.083 -13.232 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.163 7.823 -12.564 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.582 7.645 -11.550 1.00 0.00 H new ATOM 0 HG LEU A 29 15.733 8.705 -14.379 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.773 10.960 -13.393 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.223 10.138 -13.098 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.426 10.262 -11.793 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.860 9.660 -13.582 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.595 8.910 -11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.833 7.887 -13.426 1.00 0.00 H new ATOM 442 N LEU A 30 13.543 5.088 -12.336 1.00 0.00 N ATOM 443 CA LEU A 30 12.824 4.104 -11.535 1.00 0.00 C ATOM 444 C LEU A 30 13.141 2.686 -11.999 1.00 0.00 C ATOM 445 O LEU A 30 13.139 1.748 -11.204 1.00 0.00 O ATOM 446 CB LEU A 30 11.317 4.355 -11.615 1.00 0.00 C ATOM 447 CG LEU A 30 10.873 5.814 -11.507 1.00 0.00 C ATOM 448 CD1 LEU A 30 9.467 5.986 -12.060 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.940 6.286 -10.062 1.00 0.00 C ATOM 0 H LEU A 30 12.946 5.673 -12.921 1.00 0.00 H new ATOM 0 HA LEU A 30 13.149 4.208 -10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.952 3.954 -12.561 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.832 3.789 -10.820 1.00 0.00 H new ATOM 0 HG LEU A 30 11.553 6.425 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.168 7.031 -11.975 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.449 5.688 -13.108 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.775 5.363 -11.494 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.621 7.327 -10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.284 5.670 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.964 6.200 -9.698 1.00 0.00 H new ATOM 461 N GLU A 31 13.414 2.540 -13.292 1.00 0.00 N ATOM 462 CA GLU A 31 13.734 1.236 -13.862 1.00 0.00 C ATOM 463 C GLU A 31 14.964 0.635 -13.186 1.00 0.00 C ATOM 464 O GLU A 31 15.154 -0.580 -13.189 1.00 0.00 O ATOM 465 CB GLU A 31 13.975 1.358 -15.368 1.00 0.00 C ATOM 466 CG GLU A 31 14.146 0.020 -16.067 1.00 0.00 C ATOM 467 CD GLU A 31 12.834 -0.718 -16.243 1.00 0.00 C ATOM 468 OE1 GLU A 31 11.889 -0.440 -15.476 1.00 0.00 O ATOM 469 OE2 GLU A 31 12.752 -1.574 -17.149 1.00 0.00 O ATOM 0 H GLU A 31 13.420 3.307 -13.964 1.00 0.00 H new ATOM 0 HA GLU A 31 12.885 0.574 -13.690 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.138 1.890 -15.820 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.866 1.963 -15.537 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.602 0.180 -17.044 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.833 -0.601 -15.492 1.00 0.00 H new ATOM 476 N ASN A 32 15.795 1.496 -12.609 1.00 0.00 N ATOM 477 CA ASN A 32 17.007 1.051 -11.930 1.00 0.00 C ATOM 478 C ASN A 32 16.948 1.378 -10.441 1.00 0.00 C ATOM 479 O ASN A 32 17.957 1.311 -9.740 1.00 0.00 O ATOM 480 CB ASN A 32 18.239 1.705 -12.559 1.00 0.00 C ATOM 481 CG ASN A 32 18.414 1.325 -14.017 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.819 0.206 -14.334 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.110 2.257 -14.912 1.00 0.00 N ATOM 0 H ASN A 32 15.652 2.506 -12.598 1.00 0.00 H new ATOM 0 HA ASN A 32 17.080 -0.031 -12.044 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.154 2.789 -12.476 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.128 1.412 -12.001 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.209 2.059 -15.908 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.778 3.171 -14.604 1.00 0.00 H new ATOM 490 N ALA A 33 15.758 1.732 -9.966 1.00 0.00 N ATOM 491 CA ALA A 33 15.566 2.067 -8.560 1.00 0.00 C ATOM 492 C ALA A 33 16.257 3.381 -8.210 1.00 0.00 C ATOM 493 O ALA A 33 16.988 3.465 -7.224 1.00 0.00 O ATOM 494 CB ALA A 33 16.085 0.944 -7.674 1.00 0.00 C ATOM 0 H ALA A 33 14.913 1.794 -10.534 1.00 0.00 H new ATOM 0 HA ALA A 33 14.497 2.190 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.935 1.208 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.544 0.025 -7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.148 0.794 -7.862 1.00 0.00 H new ATOM 500 N MET A 34 16.020 4.404 -9.025 1.00 0.00 N ATOM 501 CA MET A 34 16.620 5.714 -8.800 1.00 0.00 C ATOM 502 C MET A 34 15.549 6.797 -8.727 1.00 0.00 C ATOM 503 O MET A 34 15.636 7.835 -9.385 1.00 0.00 O ATOM 504 CB MET A 34 17.617 6.040 -9.915 1.00 0.00 C ATOM 505 CG MET A 34 18.630 4.935 -10.166 1.00 0.00 C ATOM 506 SD MET A 34 20.197 5.562 -10.801 1.00 0.00 S ATOM 507 CE MET A 34 19.823 5.704 -12.546 1.00 0.00 C ATOM 0 H MET A 34 15.417 4.351 -9.846 1.00 0.00 H new ATOM 0 HA MET A 34 17.148 5.686 -7.847 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.068 6.235 -10.836 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.148 6.957 -9.660 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.809 4.394 -9.237 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.214 4.220 -10.876 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.459 6.468 -12.993 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.005 4.748 -13.036 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.777 5.983 -12.672 1.00 0.00 H new ATOM 517 N PRO A 35 14.515 6.554 -7.909 1.00 0.00 N ATOM 518 CA PRO A 35 13.407 7.497 -7.731 1.00 0.00 C ATOM 519 C PRO A 35 13.831 8.755 -6.980 1.00 0.00 C ATOM 520 O PRO A 35 13.059 9.705 -6.858 1.00 0.00 O ATOM 521 CB PRO A 35 12.391 6.700 -6.909 1.00 0.00 C ATOM 522 CG PRO A 35 13.205 5.687 -6.180 1.00 0.00 C ATOM 523 CD PRO A 35 14.347 5.339 -7.094 1.00 0.00 C ATOM 0 HA PRO A 35 13.018 7.853 -8.685 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.849 7.344 -6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.649 6.225 -7.550 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.570 6.087 -5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.610 4.804 -5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.252 5.103 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.118 4.470 -7.711 1.00 0.00 H new ATOM 531 N GLU A 36 15.063 8.753 -6.480 1.00 0.00 N ATOM 532 CA GLU A 36 15.588 9.894 -5.740 1.00 0.00 C ATOM 533 C GLU A 36 16.023 11.006 -6.691 1.00 0.00 C ATOM 534 O GLU A 36 16.084 12.175 -6.310 1.00 0.00 O ATOM 535 CB GLU A 36 16.768 9.465 -4.866 1.00 0.00 C ATOM 536 CG GLU A 36 18.033 9.170 -5.654 1.00 0.00 C ATOM 537 CD GLU A 36 18.120 7.723 -6.098 1.00 0.00 C ATOM 538 OE1 GLU A 36 17.078 7.035 -6.089 1.00 0.00 O ATOM 539 OE2 GLU A 36 19.231 7.279 -6.456 1.00 0.00 O ATOM 0 H GLU A 36 15.715 7.974 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 36 14.792 10.277 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.977 10.251 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.487 8.577 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.070 9.818 -6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.902 9.411 -5.042 1.00 0.00 H new ATOM 546 N TYR A 37 16.325 10.632 -7.929 1.00 0.00 N ATOM 547 CA TYR A 37 16.758 11.596 -8.934 1.00 0.00 C ATOM 548 C TYR A 37 15.582 12.054 -9.791 1.00 0.00 C ATOM 549 O TYR A 37 15.697 13.007 -10.564 1.00 0.00 O ATOM 550 CB TYR A 37 17.843 10.985 -9.822 1.00 0.00 C ATOM 551 CG TYR A 37 19.163 10.783 -9.113 1.00 0.00 C ATOM 552 CD1 TYR A 37 19.911 11.867 -8.672 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.662 9.506 -8.883 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.117 11.687 -8.024 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.867 9.316 -8.235 1.00 0.00 C ATOM 556 CZ TYR A 37 21.591 10.410 -7.808 1.00 0.00 C ATOM 557 OH TYR A 37 22.792 10.226 -7.162 1.00 0.00 O ATOM 0 H TYR A 37 16.278 9.669 -8.261 1.00 0.00 H new ATOM 0 HA TYR A 37 17.167 12.464 -8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.493 10.025 -10.200 1.00 0.00 H new ATOM 0 HB3 TYR A 37 17.999 11.630 -10.686 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.543 12.869 -8.839 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.098 8.648 -9.217 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.686 12.541 -7.688 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.240 8.317 -8.064 1.00 0.00 H new ATOM 0 HH TYR A 37 22.981 9.267 -7.089 1.00 0.00 H new ATOM 567 N CYS A 38 14.452 11.371 -9.648 1.00 0.00 N ATOM 568 CA CYS A 38 13.254 11.707 -10.409 1.00 0.00 C ATOM 569 C CYS A 38 12.834 13.151 -10.153 1.00 0.00 C ATOM 570 O CYS A 38 12.498 13.883 -11.083 1.00 0.00 O ATOM 571 CB CYS A 38 12.110 10.759 -10.043 1.00 0.00 C ATOM 572 SG CYS A 38 10.813 10.649 -11.298 1.00 0.00 S ATOM 0 H CYS A 38 14.340 10.581 -9.012 1.00 0.00 H new ATOM 0 HA CYS A 38 13.484 11.597 -11.469 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.519 9.763 -9.870 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.665 11.089 -9.104 1.00 0.00 H new ATOM 0 HG CYS A 38 9.892 9.823 -10.899 1.00 0.00 H new ATOM 578 N GLU A 39 12.855 13.552 -8.886 1.00 0.00 N ATOM 579 CA GLU A 39 12.475 14.909 -8.509 1.00 0.00 C ATOM 580 C GLU A 39 13.248 15.938 -9.329 1.00 0.00 C ATOM 581 O GLU A 39 12.673 16.751 -10.053 1.00 0.00 O ATOM 582 CB GLU A 39 12.727 15.136 -7.017 1.00 0.00 C ATOM 583 CG GLU A 39 11.507 14.881 -6.148 1.00 0.00 C ATOM 584 CD GLU A 39 11.836 14.872 -4.668 1.00 0.00 C ATOM 585 OE1 GLU A 39 12.305 15.911 -4.159 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.625 13.826 -4.019 1.00 0.00 O ATOM 0 H GLU A 39 13.131 12.958 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 39 11.411 15.032 -8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.538 14.484 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.062 16.162 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.758 15.648 -6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.063 13.924 -6.423 1.00 0.00 H new ATOM 593 N PRO A 40 14.584 15.903 -9.213 1.00 0.00 N ATOM 594 CA PRO A 40 15.465 16.825 -9.936 1.00 0.00 C ATOM 595 C PRO A 40 15.490 16.548 -11.436 1.00 0.00 C ATOM 596 O PRO A 40 15.877 17.407 -12.230 1.00 0.00 O ATOM 597 CB PRO A 40 16.841 16.557 -9.321 1.00 0.00 C ATOM 598 CG PRO A 40 16.761 15.160 -8.809 1.00 0.00 C ATOM 599 CD PRO A 40 15.337 14.961 -8.369 1.00 0.00 C ATOM 0 HA PRO A 40 15.135 17.860 -9.843 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.633 16.662 -10.062 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.060 17.261 -8.518 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.033 14.444 -9.584 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.451 15.009 -7.979 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.009 13.933 -8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.210 15.181 -7.309 1.00 0.00 H new ATOM 607 N LEU A 41 15.074 15.346 -11.817 1.00 0.00 N ATOM 608 CA LEU A 41 15.048 14.955 -13.222 1.00 0.00 C ATOM 609 C LEU A 41 13.615 14.780 -13.713 1.00 0.00 C ATOM 610 O LEU A 41 13.344 13.955 -14.585 1.00 0.00 O ATOM 611 CB LEU A 41 15.831 13.657 -13.426 1.00 0.00 C ATOM 612 CG LEU A 41 17.271 13.653 -12.909 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.857 12.252 -12.972 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.126 14.627 -13.707 1.00 0.00 C ATOM 0 H LEU A 41 14.750 14.625 -11.173 1.00 0.00 H new ATOM 0 HA LEU A 41 15.517 15.750 -13.802 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.288 12.848 -12.937 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.848 13.430 -14.492 1.00 0.00 H new ATOM 0 HG LEU A 41 17.264 13.975 -11.868 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.882 12.269 -12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.259 11.579 -12.357 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.851 11.901 -14.004 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.147 14.611 -13.326 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.126 14.335 -14.757 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.718 15.633 -13.610 1.00 0.00 H new ATOM 626 N GLU A 42 12.701 15.564 -13.148 1.00 0.00 N ATOM 627 CA GLU A 42 11.296 15.495 -13.530 1.00 0.00 C ATOM 628 C GLU A 42 11.076 16.108 -14.910 1.00 0.00 C ATOM 629 O GLU A 42 10.409 15.522 -15.763 1.00 0.00 O ATOM 630 CB GLU A 42 10.428 16.215 -12.496 1.00 0.00 C ATOM 631 CG GLU A 42 10.856 17.649 -12.235 1.00 0.00 C ATOM 632 CD GLU A 42 10.009 18.327 -11.175 1.00 0.00 C ATOM 633 OE1 GLU A 42 10.099 17.925 -9.996 1.00 0.00 O ATOM 634 OE2 GLU A 42 9.256 19.260 -11.525 1.00 0.00 O ATOM 0 H GLU A 42 12.909 16.253 -12.425 1.00 0.00 H new ATOM 0 HA GLU A 42 11.008 14.445 -13.568 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.393 16.210 -12.837 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.458 15.659 -11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.900 17.661 -11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.794 18.217 -13.163 1.00 0.00 H new ATOM 641 N HIS A 43 11.641 17.292 -15.122 1.00 0.00 N ATOM 642 CA HIS A 43 11.507 17.986 -16.398 1.00 0.00 C ATOM 643 C HIS A 43 12.775 17.836 -17.233 1.00 0.00 C ATOM 644 O HIS A 43 12.902 18.436 -18.301 1.00 0.00 O ATOM 645 CB HIS A 43 11.206 19.467 -16.168 1.00 0.00 C ATOM 646 CG HIS A 43 12.373 20.240 -15.635 1.00 0.00 C ATOM 647 ND1 HIS A 43 12.981 21.262 -16.334 1.00 0.00 N ATOM 648 CD2 HIS A 43 13.043 20.137 -14.464 1.00 0.00 C ATOM 649 CE1 HIS A 43 13.975 21.753 -15.616 1.00 0.00 C ATOM 650 NE2 HIS A 43 14.034 21.088 -14.476 1.00 0.00 N ATOM 0 H HIS A 43 12.196 17.791 -14.427 1.00 0.00 H new ATOM 0 HA HIS A 43 10.678 17.535 -16.944 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.884 19.914 -17.108 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.373 19.556 -15.471 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.837 19.437 -13.668 1.00 0.00 H new ATOM 0 HE1 HIS A 43 14.628 22.561 -15.911 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.706 21.254 -13.727 1.00 0.00 H new ATOM 658 N PHE A 44 13.712 17.033 -16.740 1.00 0.00 N ATOM 659 CA PHE A 44 14.971 16.807 -17.439 1.00 0.00 C ATOM 660 C PHE A 44 14.753 15.967 -18.695 1.00 0.00 C ATOM 661 O PHE A 44 13.891 15.088 -18.726 1.00 0.00 O ATOM 662 CB PHE A 44 15.974 16.113 -16.516 1.00 0.00 C ATOM 663 CG PHE A 44 16.825 17.068 -15.728 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.242 18.006 -14.892 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.206 17.027 -15.823 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.022 18.887 -14.166 1.00 0.00 C ATOM 667 CE2 PHE A 44 18.992 17.904 -15.100 1.00 0.00 C ATOM 668 CZ PHE A 44 18.398 18.835 -14.269 1.00 0.00 C ATOM 0 H PHE A 44 13.623 16.528 -15.858 1.00 0.00 H new ATOM 0 HA PHE A 44 15.371 17.776 -17.736 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.433 15.467 -15.825 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.621 15.471 -17.113 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.166 18.050 -14.806 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.675 16.300 -16.470 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.556 19.615 -13.519 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.068 17.862 -15.184 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.009 19.521 -13.701 1.00 0.00 H new ATOM 678 N THR A 45 15.539 16.246 -19.730 1.00 0.00 N ATOM 679 CA THR A 45 15.431 15.519 -20.989 1.00 0.00 C ATOM 680 C THR A 45 16.662 14.655 -21.232 1.00 0.00 C ATOM 681 O THR A 45 17.777 15.028 -20.869 1.00 0.00 O ATOM 682 CB THR A 45 15.249 16.481 -22.178 1.00 0.00 C ATOM 683 OG1 THR A 45 16.190 17.557 -22.087 1.00 0.00 O ATOM 684 CG2 THR A 45 13.835 17.039 -22.212 1.00 0.00 C ATOM 0 H THR A 45 16.257 16.970 -19.721 1.00 0.00 H new ATOM 0 HA THR A 45 14.552 14.879 -20.911 1.00 0.00 H new ATOM 0 HB THR A 45 15.424 15.923 -23.098 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.069 18.163 -22.848 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.731 17.716 -23.060 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.123 16.220 -22.312 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.636 17.582 -21.288 1.00 0.00 H new ATOM 692 N GLY A 46 16.453 13.496 -21.850 1.00 0.00 N ATOM 693 CA GLY A 46 17.557 12.596 -22.131 1.00 0.00 C ATOM 694 C GLY A 46 18.847 13.334 -22.425 1.00 0.00 C ATOM 695 O GLY A 46 19.922 12.911 -22.000 1.00 0.00 O ATOM 0 H GLY A 46 15.540 13.165 -22.161 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.707 11.934 -21.279 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.300 11.966 -22.983 1.00 0.00 H new ATOM 699 N GLN A 47 18.741 14.440 -23.156 1.00 0.00 N ATOM 700 CA GLN A 47 19.910 15.237 -23.508 1.00 0.00 C ATOM 701 C GLN A 47 20.525 15.879 -22.269 1.00 0.00 C ATOM 702 O GLN A 47 21.727 15.761 -22.028 1.00 0.00 O ATOM 703 CB GLN A 47 19.530 16.317 -24.522 1.00 0.00 C ATOM 704 CG GLN A 47 20.704 17.175 -24.966 1.00 0.00 C ATOM 705 CD GLN A 47 21.503 16.537 -26.085 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.081 16.535 -27.241 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.665 15.992 -25.746 1.00 0.00 N ATOM 0 H GLN A 47 17.858 14.804 -23.515 1.00 0.00 H new ATOM 0 HA GLN A 47 20.650 14.573 -23.955 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.086 15.842 -25.397 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.765 16.960 -24.086 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.335 18.146 -25.296 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.360 17.356 -24.114 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.976 16.017 -24.775 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.247 15.549 -26.457 1.00 0.00 H new ATOM 716 N ASP A 48 19.694 16.559 -21.487 1.00 0.00 N ATOM 717 CA ASP A 48 20.155 17.219 -20.272 1.00 0.00 C ATOM 718 C ASP A 48 20.648 16.197 -19.252 1.00 0.00 C ATOM 719 O ASP A 48 21.665 16.406 -18.589 1.00 0.00 O ATOM 720 CB ASP A 48 19.032 18.062 -19.666 1.00 0.00 C ATOM 721 CG ASP A 48 18.888 19.409 -20.347 1.00 0.00 C ATOM 722 OD1 ASP A 48 18.712 19.432 -21.583 1.00 0.00 O ATOM 723 OD2 ASP A 48 18.951 20.440 -19.644 1.00 0.00 O ATOM 0 H ASP A 48 18.697 16.667 -21.673 1.00 0.00 H new ATOM 0 HA ASP A 48 20.987 17.872 -20.536 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.091 17.517 -19.742 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.228 18.214 -18.604 1.00 0.00 H new ATOM 728 N LEU A 49 19.920 15.092 -19.130 1.00 0.00 N ATOM 729 CA LEU A 49 20.282 14.037 -18.190 1.00 0.00 C ATOM 730 C LEU A 49 21.703 13.543 -18.447 1.00 0.00 C ATOM 731 O LEU A 49 22.518 13.463 -17.527 1.00 0.00 O ATOM 732 CB LEU A 49 19.298 12.871 -18.298 1.00 0.00 C ATOM 733 CG LEU A 49 19.783 11.530 -17.747 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.617 10.730 -17.187 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.505 10.739 -18.828 1.00 0.00 C ATOM 0 H LEU A 49 19.076 14.904 -19.670 1.00 0.00 H new ATOM 0 HA LEU A 49 20.237 14.451 -17.183 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.382 13.146 -17.776 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.038 12.737 -19.348 1.00 0.00 H new ATOM 0 HG LEU A 49 20.486 11.724 -16.937 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.981 9.779 -16.799 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.143 11.292 -16.382 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.890 10.545 -17.977 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.843 9.787 -18.418 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.825 10.555 -19.660 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.365 11.308 -19.182 1.00 0.00 H new ATOM 747 N ILE A 50 21.992 13.217 -19.702 1.00 0.00 N ATOM 748 CA ILE A 50 23.315 12.736 -20.080 1.00 0.00 C ATOM 749 C ILE A 50 24.371 13.818 -19.881 1.00 0.00 C ATOM 750 O ILE A 50 25.557 13.524 -19.738 1.00 0.00 O ATOM 751 CB ILE A 50 23.346 12.267 -21.546 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.183 13.461 -22.490 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.257 11.235 -21.796 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.906 13.293 -23.808 1.00 0.00 C ATOM 0 H ILE A 50 21.328 13.277 -20.474 1.00 0.00 H new ATOM 0 HA ILE A 50 23.540 11.889 -19.432 1.00 0.00 H new ATOM 0 HB ILE A 50 24.312 11.801 -21.742 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.122 13.618 -22.684 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.552 14.359 -21.994 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.292 10.914 -22.837 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.414 10.375 -21.145 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.283 11.676 -21.585 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.746 14.177 -24.426 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.973 13.167 -23.624 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.520 12.414 -24.325 1.00 0.00 H new ATOM 766 N ASN A 51 23.931 15.072 -19.872 1.00 0.00 N ATOM 767 CA ASN A 51 24.838 16.199 -19.691 1.00 0.00 C ATOM 768 C ASN A 51 25.128 16.432 -18.211 1.00 0.00 C ATOM 769 O ASN A 51 25.633 17.486 -17.824 1.00 0.00 O ATOM 770 CB ASN A 51 24.242 17.465 -20.310 1.00 0.00 C ATOM 771 CG ASN A 51 24.366 17.483 -21.821 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.381 17.061 -22.377 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.331 17.972 -22.494 1.00 0.00 N ATOM 0 H ASN A 51 22.952 15.333 -19.988 1.00 0.00 H new ATOM 0 HA ASN A 51 25.775 15.963 -20.194 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.190 17.541 -20.034 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.744 18.340 -19.896 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.357 18.009 -23.513 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.510 18.311 -21.992 1.00 0.00 H new ATOM 780 N LEU A 52 24.806 15.440 -17.388 1.00 0.00 N ATOM 781 CA LEU A 52 25.032 15.535 -15.950 1.00 0.00 C ATOM 782 C LEU A 52 26.452 15.106 -15.593 1.00 0.00 C ATOM 783 O LEU A 52 26.966 14.120 -16.121 1.00 0.00 O ATOM 784 CB LEU A 52 24.021 14.670 -15.196 1.00 0.00 C ATOM 785 CG LEU A 52 22.581 15.185 -15.173 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.696 14.261 -14.351 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.532 16.603 -14.623 1.00 0.00 C ATOM 0 H LEU A 52 24.388 14.561 -17.692 1.00 0.00 H new ATOM 0 HA LEU A 52 24.901 16.576 -15.655 1.00 0.00 H new ATOM 0 HB2 LEU A 52 24.022 13.674 -15.640 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.363 14.561 -14.167 1.00 0.00 H new ATOM 0 HG LEU A 52 22.204 15.199 -16.195 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.675 14.644 -14.346 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.707 13.263 -14.788 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.070 14.213 -13.328 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.500 16.954 -14.614 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.928 16.613 -13.608 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.133 17.259 -15.253 1.00 0.00 H new ATOM 799 N THR A 53 27.080 15.853 -14.690 1.00 0.00 N ATOM 800 CA THR A 53 28.440 15.550 -14.260 1.00 0.00 C ATOM 801 C THR A 53 28.575 15.659 -12.746 1.00 0.00 C ATOM 802 O THR A 53 27.701 16.207 -12.074 1.00 0.00 O ATOM 803 CB THR A 53 29.462 16.490 -14.925 1.00 0.00 C ATOM 804 OG1 THR A 53 29.268 17.831 -14.461 1.00 0.00 O ATOM 805 CG2 THR A 53 29.331 16.449 -16.440 1.00 0.00 C ATOM 0 H THR A 53 26.669 16.672 -14.242 1.00 0.00 H new ATOM 0 HA THR A 53 28.648 14.525 -14.567 1.00 0.00 H new ATOM 0 HB THR A 53 30.462 16.152 -14.654 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.379 18.455 -15.208 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.063 17.121 -16.887 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.508 15.433 -16.793 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.328 16.763 -16.727 1.00 0.00 H new ATOM 813 N GLN A 54 29.675 15.135 -12.215 1.00 0.00 N ATOM 814 CA GLN A 54 29.923 15.175 -10.779 1.00 0.00 C ATOM 815 C GLN A 54 29.802 16.599 -10.245 1.00 0.00 C ATOM 816 O GLN A 54 29.323 16.815 -9.132 1.00 0.00 O ATOM 817 CB GLN A 54 31.311 14.616 -10.464 1.00 0.00 C ATOM 818 CG GLN A 54 31.487 14.204 -9.011 1.00 0.00 C ATOM 819 CD GLN A 54 32.675 13.286 -8.804 1.00 0.00 C ATOM 820 OE1 GLN A 54 33.421 12.997 -9.740 1.00 0.00 O ATOM 821 NE2 GLN A 54 32.857 12.822 -7.573 1.00 0.00 N ATOM 0 H GLN A 54 30.408 14.678 -12.757 1.00 0.00 H new ATOM 0 HA GLN A 54 29.171 14.557 -10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.499 13.753 -11.103 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.061 15.367 -10.713 1.00 0.00 H new ATOM 0 HG2 GLN A 54 31.611 15.096 -8.397 1.00 0.00 H new ATOM 0 HG3 GLN A 54 30.582 13.703 -8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 54 32.214 13.088 -6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 54 33.640 12.200 -7.373 1.00 0.00 H new ATOM 830 N GLU A 55 30.241 17.565 -11.045 1.00 0.00 N ATOM 831 CA GLU A 55 30.181 18.968 -10.652 1.00 0.00 C ATOM 832 C GLU A 55 28.735 19.421 -10.468 1.00 0.00 C ATOM 833 O GLU A 55 28.466 20.420 -9.801 1.00 0.00 O ATOM 834 CB GLU A 55 30.872 19.844 -11.698 1.00 0.00 C ATOM 835 CG GLU A 55 29.934 20.360 -12.776 1.00 0.00 C ATOM 836 CD GLU A 55 30.634 20.579 -14.103 1.00 0.00 C ATOM 837 OE1 GLU A 55 31.600 19.843 -14.392 1.00 0.00 O ATOM 838 OE2 GLU A 55 30.216 21.486 -14.853 1.00 0.00 O ATOM 0 H GLU A 55 30.642 17.402 -11.969 1.00 0.00 H new ATOM 0 HA GLU A 55 30.701 19.074 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.339 20.693 -11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.672 19.272 -12.168 1.00 0.00 H new ATOM 0 HG2 GLU A 55 29.118 19.650 -12.913 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.488 21.298 -12.446 1.00 0.00 H new ATOM 845 N ASP A 56 27.809 18.678 -11.065 1.00 0.00 N ATOM 846 CA ASP A 56 26.390 19.002 -10.968 1.00 0.00 C ATOM 847 C ASP A 56 25.800 18.471 -9.665 1.00 0.00 C ATOM 848 O ASP A 56 24.704 18.862 -9.263 1.00 0.00 O ATOM 849 CB ASP A 56 25.630 18.421 -12.161 1.00 0.00 C ATOM 850 CG ASP A 56 26.092 19.004 -13.482 1.00 0.00 C ATOM 851 OD1 ASP A 56 26.922 19.937 -13.460 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.623 18.529 -14.537 1.00 0.00 O ATOM 0 H ASP A 56 28.015 17.848 -11.621 1.00 0.00 H new ATOM 0 HA ASP A 56 26.288 20.087 -10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.761 17.339 -12.179 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.564 18.611 -12.036 1.00 0.00 H new ATOM 857 N PHE A 57 26.534 17.577 -9.010 1.00 0.00 N ATOM 858 CA PHE A 57 26.082 16.991 -7.753 1.00 0.00 C ATOM 859 C PHE A 57 26.455 17.884 -6.573 1.00 0.00 C ATOM 860 O PHE A 57 25.626 18.166 -5.707 1.00 0.00 O ATOM 861 CB PHE A 57 26.691 15.600 -7.567 1.00 0.00 C ATOM 862 CG PHE A 57 26.049 14.546 -8.423 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.242 14.536 -9.795 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.254 13.563 -7.855 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.652 13.568 -10.585 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.661 12.592 -8.640 1.00 0.00 C ATOM 867 CZ PHE A 57 24.862 12.594 -10.006 1.00 0.00 C ATOM 0 H PHE A 57 27.444 17.243 -9.328 1.00 0.00 H new ATOM 0 HA PHE A 57 24.996 16.902 -7.791 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.756 15.644 -7.796 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.602 15.310 -6.520 1.00 0.00 H new ATOM 0 HD1 PHE A 57 26.861 15.294 -10.252 1.00 0.00 H new ATOM 0 HD2 PHE A 57 25.096 13.556 -6.787 1.00 0.00 H new ATOM 0 HE1 PHE A 57 25.808 13.573 -11.654 1.00 0.00 H new ATOM 0 HE2 PHE A 57 24.041 11.833 -8.186 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.402 11.835 -10.621 1.00 0.00 H new ATOM 877 N LYS A 58 27.708 18.325 -6.544 1.00 0.00 N ATOM 878 CA LYS A 58 28.192 19.186 -5.472 1.00 0.00 C ATOM 879 C LYS A 58 27.278 20.393 -5.288 1.00 0.00 C ATOM 880 O LYS A 58 27.310 21.058 -4.253 1.00 0.00 O ATOM 881 CB LYS A 58 29.618 19.654 -5.771 1.00 0.00 C ATOM 882 CG LYS A 58 29.900 19.839 -7.252 1.00 0.00 C ATOM 883 CD LYS A 58 31.194 20.601 -7.482 1.00 0.00 C ATOM 884 CE LYS A 58 30.953 22.101 -7.557 1.00 0.00 C ATOM 885 NZ LYS A 58 32.193 22.877 -7.281 1.00 0.00 N ATOM 0 H LYS A 58 28.407 18.100 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 58 28.191 18.608 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.797 20.597 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 58 30.322 18.929 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 58 29.960 18.864 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 58 29.073 20.376 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.893 20.384 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 58 31.659 20.260 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 58 30.576 22.359 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 58 30.182 22.381 -6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 31.987 23.894 -7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 32.539 22.650 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 32.921 22.629 -7.981 1.00 0.00 H new ATOM 899 N LYS A 59 26.462 20.670 -6.299 1.00 0.00 N ATOM 900 CA LYS A 59 25.536 21.795 -6.249 1.00 0.00 C ATOM 901 C LYS A 59 24.124 21.356 -6.625 1.00 0.00 C ATOM 902 O LYS A 59 23.914 20.291 -7.207 1.00 0.00 O ATOM 903 CB LYS A 59 26.002 22.908 -7.190 1.00 0.00 C ATOM 904 CG LYS A 59 26.849 22.411 -8.349 1.00 0.00 C ATOM 905 CD LYS A 59 27.013 23.478 -9.418 1.00 0.00 C ATOM 906 CE LYS A 59 25.911 23.395 -10.463 1.00 0.00 C ATOM 907 NZ LYS A 59 25.616 24.725 -11.064 1.00 0.00 N ATOM 0 H LYS A 59 26.423 20.130 -7.164 1.00 0.00 H new ATOM 0 HA LYS A 59 25.520 22.174 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 59 25.129 23.427 -7.586 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.575 23.638 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.830 22.110 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.386 21.526 -8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 59 27.002 24.464 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.983 23.364 -9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 59 26.207 22.699 -11.248 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.006 22.994 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.860 24.626 -11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 25.309 25.382 -10.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.472 25.096 -11.522 1.00 0.00 H new ATOM 921 N PRO A 60 23.133 22.193 -6.286 1.00 0.00 N ATOM 922 CA PRO A 60 21.724 21.912 -6.581 1.00 0.00 C ATOM 923 C PRO A 60 21.416 21.994 -8.072 1.00 0.00 C ATOM 924 O PRO A 60 22.173 22.567 -8.856 1.00 0.00 O ATOM 925 CB PRO A 60 20.977 23.010 -5.819 1.00 0.00 C ATOM 926 CG PRO A 60 21.958 24.126 -5.705 1.00 0.00 C ATOM 927 CD PRO A 60 23.310 23.479 -5.591 1.00 0.00 C ATOM 0 HA PRO A 60 21.440 20.901 -6.288 1.00 0.00 H new ATOM 0 HB2 PRO A 60 20.081 23.324 -6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.657 22.663 -4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.910 24.778 -6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.746 24.744 -4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 60 24.086 24.085 -6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.601 23.337 -4.550 1.00 0.00 H new ATOM 935 N PRO A 61 20.279 21.408 -8.475 1.00 0.00 N ATOM 936 CA PRO A 61 19.371 20.722 -7.551 1.00 0.00 C ATOM 937 C PRO A 61 19.964 19.424 -7.013 1.00 0.00 C ATOM 938 O PRO A 61 19.838 19.117 -5.827 1.00 0.00 O ATOM 939 CB PRO A 61 18.140 20.431 -8.413 1.00 0.00 C ATOM 940 CG PRO A 61 18.659 20.384 -9.809 1.00 0.00 C ATOM 941 CD PRO A 61 19.791 21.371 -9.864 1.00 0.00 C ATOM 0 HA PRO A 61 19.157 21.324 -6.668 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.674 19.487 -8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.383 21.207 -8.298 1.00 0.00 H new ATOM 0 HG2 PRO A 61 19.003 19.382 -10.064 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.879 20.645 -10.524 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.570 21.050 -10.555 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.453 22.352 -10.197 1.00 0.00 H new ATOM 949 N LEU A 62 20.611 18.666 -7.891 1.00 0.00 N ATOM 950 CA LEU A 62 21.225 17.401 -7.504 1.00 0.00 C ATOM 951 C LEU A 62 22.306 17.620 -6.451 1.00 0.00 C ATOM 952 O LEU A 62 23.430 18.007 -6.772 1.00 0.00 O ATOM 953 CB LEU A 62 21.823 16.706 -8.729 1.00 0.00 C ATOM 954 CG LEU A 62 20.869 16.471 -9.900 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.630 16.473 -11.217 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.115 15.162 -9.719 1.00 0.00 C ATOM 0 H LEU A 62 20.724 18.905 -8.876 1.00 0.00 H new ATOM 0 HA LEU A 62 20.450 16.765 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.664 17.301 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.225 15.743 -8.415 1.00 0.00 H new ATOM 0 HG LEU A 62 20.144 17.284 -9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.935 16.304 -12.039 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.123 17.436 -11.351 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.378 15.680 -11.206 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.441 15.011 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.825 14.337 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.538 15.199 -8.795 1.00 0.00 H new ATOM 968 N TYR A 63 21.960 17.369 -5.194 1.00 0.00 N ATOM 969 CA TYR A 63 22.900 17.539 -4.093 1.00 0.00 C ATOM 970 C TYR A 63 22.683 16.475 -3.021 1.00 0.00 C ATOM 971 O TYR A 63 21.566 16.279 -2.543 1.00 0.00 O ATOM 972 CB TYR A 63 22.755 18.933 -3.480 1.00 0.00 C ATOM 973 CG TYR A 63 23.736 19.209 -2.363 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.098 19.001 -2.542 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.301 19.678 -1.130 1.00 0.00 C ATOM 976 CE1 TYR A 63 25.998 19.251 -1.524 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.194 19.932 -0.107 1.00 0.00 C ATOM 978 CZ TYR A 63 25.541 19.717 -0.309 1.00 0.00 C ATOM 979 OH TYR A 63 26.433 19.968 0.708 1.00 0.00 O ATOM 0 H TYR A 63 21.034 17.047 -4.912 1.00 0.00 H new ATOM 0 HA TYR A 63 23.909 17.428 -4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.889 19.680 -4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.741 19.049 -3.098 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.459 18.638 -3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.247 19.847 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.053 19.082 -1.679 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.839 20.297 0.846 1.00 0.00 H new ATOM 0 HH TYR A 63 25.948 20.292 1.496 1.00 0.00 H new ATOM 989 N ARG A 64 23.760 15.792 -2.648 1.00 0.00 N ATOM 990 CA ARG A 64 23.688 14.746 -1.635 1.00 0.00 C ATOM 991 C ARG A 64 22.396 13.945 -1.770 1.00 0.00 C ATOM 992 O ARG A 64 21.762 13.597 -0.775 1.00 0.00 O ATOM 993 CB ARG A 64 23.778 15.356 -0.235 1.00 0.00 C ATOM 994 CG ARG A 64 23.207 16.762 -0.146 1.00 0.00 C ATOM 995 CD ARG A 64 23.324 17.322 1.263 1.00 0.00 C ATOM 996 NE ARG A 64 22.501 16.582 2.217 1.00 0.00 N ATOM 997 CZ ARG A 64 22.905 15.478 2.834 1.00 0.00 C ATOM 998 NH1 ARG A 64 24.115 14.989 2.600 1.00 0.00 N ATOM 999 NH2 ARG A 64 22.099 14.861 3.689 1.00 0.00 N ATOM 0 H ARG A 64 24.693 15.944 -3.032 1.00 0.00 H new ATOM 0 HA ARG A 64 24.531 14.071 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.248 14.713 0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.822 15.376 0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.733 17.414 -0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.160 16.751 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 64 24.366 17.288 1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.024 18.370 1.262 1.00 0.00 H new ATOM 0 HE ARG A 64 21.565 16.933 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 64 24.738 15.461 1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 64 24.423 14.141 3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.168 15.235 3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 64 22.411 14.013 4.162 1.00 0.00 H new ATOM 1013 N VAL A 65 22.012 13.657 -3.010 1.00 0.00 N ATOM 1014 CA VAL A 65 20.797 12.896 -3.276 1.00 0.00 C ATOM 1015 C VAL A 65 20.993 11.418 -2.955 1.00 0.00 C ATOM 1016 O VAL A 65 20.060 10.735 -2.533 1.00 0.00 O ATOM 1017 CB VAL A 65 20.358 13.037 -4.746 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.060 12.282 -4.989 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.209 14.504 -5.118 1.00 0.00 C ATOM 0 H VAL A 65 22.525 13.939 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 65 20.019 13.305 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 65 21.129 12.601 -5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 65 18.765 12.392 -6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.206 11.226 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.278 12.686 -4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 65 19.898 14.585 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.458 14.967 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.164 15.012 -4.983 1.00 0.00 H new ATOM 1029 N SER A 66 22.213 10.931 -3.158 1.00 0.00 N ATOM 1030 CA SER A 66 22.531 9.533 -2.893 1.00 0.00 C ATOM 1031 C SER A 66 23.656 9.416 -1.869 1.00 0.00 C ATOM 1032 O SER A 66 24.352 10.389 -1.582 1.00 0.00 O ATOM 1033 CB SER A 66 22.931 8.824 -4.189 1.00 0.00 C ATOM 1034 OG SER A 66 23.470 7.541 -3.924 1.00 0.00 O ATOM 0 H SER A 66 22.997 11.484 -3.505 1.00 0.00 H new ATOM 0 HA SER A 66 21.640 9.055 -2.485 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.061 8.729 -4.838 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.665 9.426 -4.725 1.00 0.00 H new ATOM 0 HG SER A 66 23.716 7.109 -4.768 1.00 0.00 H new ATOM 1040 N SER A 67 23.827 8.216 -1.322 1.00 0.00 N ATOM 1041 CA SER A 67 24.865 7.971 -0.327 1.00 0.00 C ATOM 1042 C SER A 67 26.208 7.703 -0.999 1.00 0.00 C ATOM 1043 O SER A 67 27.263 7.848 -0.381 1.00 0.00 O ATOM 1044 CB SER A 67 24.479 6.787 0.561 1.00 0.00 C ATOM 1045 OG SER A 67 23.242 7.018 1.212 1.00 0.00 O ATOM 0 H SER A 67 23.261 7.399 -1.551 1.00 0.00 H new ATOM 0 HA SER A 67 24.960 8.863 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.412 5.882 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 67 25.258 6.617 1.304 1.00 0.00 H new ATOM 0 HG SER A 67 23.018 6.246 1.772 1.00 0.00 H new ATOM 1051 N ASP A 68 26.160 7.309 -2.267 1.00 0.00 N ATOM 1052 CA ASP A 68 27.372 7.021 -3.024 1.00 0.00 C ATOM 1053 C ASP A 68 27.939 8.293 -3.648 1.00 0.00 C ATOM 1054 O ASP A 68 28.542 8.255 -4.719 1.00 0.00 O ATOM 1055 CB ASP A 68 27.085 5.988 -4.114 1.00 0.00 C ATOM 1056 CG ASP A 68 26.580 4.675 -3.549 1.00 0.00 C ATOM 1057 OD1 ASP A 68 25.391 4.608 -3.174 1.00 0.00 O ATOM 1058 OD2 ASP A 68 27.375 3.714 -3.483 1.00 0.00 O ATOM 0 H ASP A 68 25.295 7.182 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 68 28.112 6.615 -2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 68 26.346 6.391 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.994 5.808 -4.688 1.00 0.00 H new ATOM 1063 N ASN A 69 27.739 9.418 -2.969 1.00 0.00 N ATOM 1064 CA ASN A 69 28.227 10.703 -3.458 1.00 0.00 C ATOM 1065 C ASN A 69 27.691 10.991 -4.857 1.00 0.00 C ATOM 1066 O ASN A 69 28.296 11.741 -5.623 1.00 0.00 O ATOM 1067 CB ASN A 69 29.757 10.719 -3.472 1.00 0.00 C ATOM 1068 CG ASN A 69 30.322 12.110 -3.266 1.00 0.00 C ATOM 1069 OD1 ASN A 69 29.786 12.902 -2.491 1.00 0.00 O ATOM 1070 ND2 ASN A 69 31.412 12.415 -3.962 1.00 0.00 N ATOM 0 H ASN A 69 27.243 9.466 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 69 27.869 11.481 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.132 10.058 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.113 10.322 -4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 69 31.838 13.337 -3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 69 31.823 11.727 -4.593 1.00 0.00 H new ATOM 1077 N GLY A 70 26.551 10.390 -5.184 1.00 0.00 N ATOM 1078 CA GLY A 70 25.952 10.595 -6.490 1.00 0.00 C ATOM 1079 C GLY A 70 26.703 9.873 -7.592 1.00 0.00 C ATOM 1080 O GLY A 70 26.647 10.273 -8.754 1.00 0.00 O ATOM 0 H GLY A 70 26.032 9.765 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 70 24.919 10.248 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 70 25.926 11.662 -6.711 1.00 0.00 H new ATOM 1084 N GLN A 71 27.408 8.808 -7.226 1.00 0.00 N ATOM 1085 CA GLN A 71 28.175 8.031 -8.192 1.00 0.00 C ATOM 1086 C GLN A 71 27.265 7.100 -8.987 1.00 0.00 C ATOM 1087 O GLN A 71 27.389 6.988 -10.207 1.00 0.00 O ATOM 1088 CB GLN A 71 29.258 7.218 -7.480 1.00 0.00 C ATOM 1089 CG GLN A 71 29.946 6.203 -8.378 1.00 0.00 C ATOM 1090 CD GLN A 71 31.077 6.809 -9.185 1.00 0.00 C ATOM 1091 OE1 GLN A 71 30.732 7.678 -10.128 1.00 0.00 O flip ATOM 1092 NE2 GLN A 71 32.248 6.499 -8.964 1.00 0.00 N flip ATOM 0 H GLN A 71 27.464 8.463 -6.268 1.00 0.00 H new ATOM 0 HA GLN A 71 28.649 8.726 -8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.006 7.900 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.812 6.697 -6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.336 5.389 -7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.212 5.768 -9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 71 32.468 5.827 -8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 71 32.998 6.915 -9.516 1.00 0.00 H new ATOM 1101 N ARG A 72 26.352 6.434 -8.288 1.00 0.00 N ATOM 1102 CA ARG A 72 25.423 5.511 -8.929 1.00 0.00 C ATOM 1103 C ARG A 72 24.887 6.097 -10.232 1.00 0.00 C ATOM 1104 O ARG A 72 25.073 5.523 -11.306 1.00 0.00 O ATOM 1105 CB ARG A 72 24.262 5.186 -7.987 1.00 0.00 C ATOM 1106 CG ARG A 72 23.509 3.920 -8.362 1.00 0.00 C ATOM 1107 CD ARG A 72 22.935 3.230 -7.135 1.00 0.00 C ATOM 1108 NE ARG A 72 23.933 2.415 -6.448 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.818 2.023 -5.184 1.00 0.00 C ATOM 1110 NH1 ARG A 72 22.753 2.368 -4.473 1.00 0.00 N ATOM 1111 NH2 ARG A 72 24.769 1.282 -4.628 1.00 0.00 N ATOM 0 H ARG A 72 26.236 6.516 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 72 25.963 4.592 -9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.647 5.083 -6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.565 6.024 -7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.703 4.166 -9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 72 24.180 3.238 -8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.544 3.980 -6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.096 2.601 -7.432 1.00 0.00 H new ATOM 0 HE ARG A 72 24.764 2.131 -6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.019 2.936 -4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.668 2.065 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.589 1.013 -5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.679 0.982 -3.657 1.00 0.00 H new ATOM 1125 N LEU A 73 24.220 7.241 -10.130 1.00 0.00 N ATOM 1126 CA LEU A 73 23.654 7.904 -11.300 1.00 0.00 C ATOM 1127 C LEU A 73 24.713 8.100 -12.380 1.00 0.00 C ATOM 1128 O LEU A 73 24.539 7.670 -13.521 1.00 0.00 O ATOM 1129 CB LEU A 73 23.056 9.255 -10.905 1.00 0.00 C ATOM 1130 CG LEU A 73 22.361 10.034 -12.023 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.297 9.176 -12.690 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.750 11.317 -11.479 1.00 0.00 C ATOM 0 H LEU A 73 24.058 7.729 -9.249 1.00 0.00 H new ATOM 0 HA LEU A 73 22.865 7.268 -11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.337 9.091 -10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.853 9.877 -10.497 1.00 0.00 H new ATOM 0 HG LEU A 73 23.107 10.299 -12.772 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.813 9.747 -13.483 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.761 8.286 -13.115 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.553 8.879 -11.951 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.260 11.858 -12.288 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.017 11.073 -10.710 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.534 11.940 -11.049 1.00 0.00 H new ATOM 1144 N LEU A 74 25.812 8.750 -12.012 1.00 0.00 N ATOM 1145 CA LEU A 74 26.902 9.002 -12.949 1.00 0.00 C ATOM 1146 C LEU A 74 27.263 7.735 -13.718 1.00 0.00 C ATOM 1147 O LEU A 74 27.242 7.717 -14.949 1.00 0.00 O ATOM 1148 CB LEU A 74 28.130 9.527 -12.204 1.00 0.00 C ATOM 1149 CG LEU A 74 27.994 10.917 -11.581 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.157 11.197 -10.642 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.912 11.981 -12.665 1.00 0.00 C ATOM 0 H LEU A 74 25.972 9.112 -11.072 1.00 0.00 H new ATOM 0 HA LEU A 74 26.568 9.755 -13.663 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.380 8.819 -11.414 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.971 9.542 -12.897 1.00 0.00 H new ATOM 0 HG LEU A 74 27.071 10.946 -11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.043 12.190 -10.208 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.169 10.453 -9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.093 11.149 -11.198 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.816 12.964 -12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.817 11.952 -13.272 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.045 11.790 -13.297 1.00 0.00 H new ATOM 1163 N ASP A 75 27.590 6.677 -12.985 1.00 0.00 N ATOM 1164 CA ASP A 75 27.952 5.404 -13.597 1.00 0.00 C ATOM 1165 C ASP A 75 26.814 4.876 -14.466 1.00 0.00 C ATOM 1166 O ASP A 75 27.044 4.160 -15.439 1.00 0.00 O ATOM 1167 CB ASP A 75 28.306 4.377 -12.520 1.00 0.00 C ATOM 1168 CG ASP A 75 29.791 4.347 -12.216 1.00 0.00 C ATOM 1169 OD1 ASP A 75 30.593 4.396 -13.171 1.00 0.00 O ATOM 1170 OD2 ASP A 75 30.151 4.273 -11.022 1.00 0.00 O ATOM 0 H ASP A 75 27.612 6.676 -11.965 1.00 0.00 H new ATOM 0 HA ASP A 75 28.823 5.569 -14.231 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.756 4.607 -11.608 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.984 3.388 -12.845 1.00 0.00 H new ATOM 1175 N MET A 76 25.586 5.235 -14.105 1.00 0.00 N ATOM 1176 CA MET A 76 24.412 4.798 -14.852 1.00 0.00 C ATOM 1177 C MET A 76 24.243 5.617 -16.127 1.00 0.00 C ATOM 1178 O MET A 76 23.741 5.118 -17.134 1.00 0.00 O ATOM 1179 CB MET A 76 23.157 4.916 -13.985 1.00 0.00 C ATOM 1180 CG MET A 76 23.028 3.812 -12.949 1.00 0.00 C ATOM 1181 SD MET A 76 23.180 2.164 -13.666 1.00 0.00 S ATOM 1182 CE MET A 76 21.748 2.130 -14.742 1.00 0.00 C ATOM 0 H MET A 76 25.378 5.827 -13.301 1.00 0.00 H new ATOM 0 HA MET A 76 24.556 3.754 -15.129 1.00 0.00 H new ATOM 0 HB2 MET A 76 23.166 5.880 -13.477 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.278 4.903 -14.629 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.795 3.944 -12.186 1.00 0.00 H new ATOM 0 HG3 MET A 76 22.063 3.899 -12.449 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.441 1.097 -14.906 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.931 2.682 -14.278 1.00 0.00 H new ATOM 0 HE3 MET A 76 22.000 2.590 -15.698 1.00 0.00 H new ATOM 1192 N ILE A 77 24.665 6.876 -16.076 1.00 0.00 N ATOM 1193 CA ILE A 77 24.559 7.764 -17.228 1.00 0.00 C ATOM 1194 C ILE A 77 25.721 7.552 -18.193 1.00 0.00 C ATOM 1195 O ILE A 77 25.541 7.572 -19.410 1.00 0.00 O ATOM 1196 CB ILE A 77 24.527 9.242 -16.798 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.374 9.487 -15.822 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.398 10.145 -18.016 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.450 10.825 -15.122 1.00 0.00 C ATOM 0 H ILE A 77 25.083 7.304 -15.250 1.00 0.00 H new ATOM 0 HA ILE A 77 23.623 7.520 -17.730 1.00 0.00 H new ATOM 0 HB ILE A 77 25.463 9.478 -16.292 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.430 9.422 -16.363 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.367 8.694 -15.074 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.377 11.187 -17.696 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.249 9.986 -18.678 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.476 9.910 -18.547 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.602 10.931 -14.446 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.377 10.886 -14.553 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.426 11.625 -15.862 1.00 0.00 H new ATOM 1211 N GLU A 78 26.913 7.347 -17.640 1.00 0.00 N ATOM 1212 CA GLU A 78 28.104 7.128 -18.453 1.00 0.00 C ATOM 1213 C GLU A 78 27.797 6.209 -19.631 1.00 0.00 C ATOM 1214 O GLU A 78 28.233 6.455 -20.757 1.00 0.00 O ATOM 1215 CB GLU A 78 29.225 6.529 -17.603 1.00 0.00 C ATOM 1216 CG GLU A 78 30.617 6.939 -18.054 1.00 0.00 C ATOM 1217 CD GLU A 78 31.187 6.007 -19.106 1.00 0.00 C ATOM 1218 OE1 GLU A 78 30.868 4.801 -19.066 1.00 0.00 O ATOM 1219 OE2 GLU A 78 31.953 6.486 -19.969 1.00 0.00 O ATOM 0 H GLU A 78 27.079 7.328 -16.634 1.00 0.00 H new ATOM 0 HA GLU A 78 28.429 8.093 -18.843 1.00 0.00 H new ATOM 0 HB2 GLU A 78 29.084 6.832 -16.566 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.149 5.442 -17.630 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.582 7.953 -18.453 1.00 0.00 H new ATOM 0 HG3 GLU A 78 31.283 6.958 -17.192 1.00 0.00 H new ATOM 1226 N THR A 79 27.043 5.146 -19.365 1.00 0.00 N ATOM 1227 CA THR A 79 26.679 4.189 -20.401 1.00 0.00 C ATOM 1228 C THR A 79 25.705 4.803 -21.400 1.00 0.00 C ATOM 1229 O THR A 79 25.697 4.443 -22.578 1.00 0.00 O ATOM 1230 CB THR A 79 26.046 2.921 -19.797 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.142 1.835 -20.726 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.587 3.162 -19.440 1.00 0.00 C ATOM 0 H THR A 79 26.673 4.927 -18.440 1.00 0.00 H new ATOM 0 HA THR A 79 27.600 3.916 -20.917 1.00 0.00 H new ATOM 0 HB THR A 79 26.590 2.669 -18.887 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.739 1.032 -20.334 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.161 2.253 -19.015 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.519 3.969 -18.711 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.033 3.437 -20.338 1.00 0.00 H new ATOM 1240 N LEU A 80 24.884 5.732 -20.923 1.00 0.00 N ATOM 1241 CA LEU A 80 23.905 6.398 -21.775 1.00 0.00 C ATOM 1242 C LEU A 80 24.595 7.231 -22.850 1.00 0.00 C ATOM 1243 O LEU A 80 24.001 7.550 -23.880 1.00 0.00 O ATOM 1244 CB LEU A 80 22.989 7.289 -20.933 1.00 0.00 C ATOM 1245 CG LEU A 80 22.078 6.567 -19.940 1.00 0.00 C ATOM 1246 CD1 LEU A 80 21.089 7.540 -19.317 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.344 5.423 -20.623 1.00 0.00 C ATOM 0 H LEU A 80 24.877 6.041 -19.951 1.00 0.00 H new ATOM 0 HA LEU A 80 23.306 5.631 -22.265 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.610 7.994 -20.380 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.365 7.875 -21.608 1.00 0.00 H new ATOM 0 HG LEU A 80 22.698 6.152 -19.145 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.449 7.008 -18.613 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.633 8.325 -18.791 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.475 7.986 -20.100 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.700 4.921 -19.901 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.737 5.816 -21.439 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.068 4.712 -21.020 1.00 0.00 H new ATOM 1259 N LYS A 81 25.854 7.579 -22.604 1.00 0.00 N ATOM 1260 CA LYS A 81 26.628 8.372 -23.552 1.00 0.00 C ATOM 1261 C LYS A 81 27.391 7.473 -24.519 1.00 0.00 C ATOM 1262 O LYS A 81 27.236 7.581 -25.735 1.00 0.00 O ATOM 1263 CB LYS A 81 27.605 9.284 -22.806 1.00 0.00 C ATOM 1264 CG LYS A 81 26.960 10.540 -22.247 1.00 0.00 C ATOM 1265 CD LYS A 81 26.516 10.344 -20.807 1.00 0.00 C ATOM 1266 CE LYS A 81 27.597 10.775 -19.827 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.924 10.198 -20.178 1.00 0.00 N ATOM 0 H LYS A 81 26.360 7.324 -21.756 1.00 0.00 H new ATOM 0 HA LYS A 81 25.934 8.986 -24.127 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.059 8.724 -21.988 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.411 9.570 -23.482 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.666 11.368 -22.302 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.101 10.813 -22.860 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.608 10.918 -20.624 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.270 9.295 -20.641 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.665 11.863 -19.816 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.320 10.463 -18.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.599 10.387 -19.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.831 9.171 -20.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.270 10.633 -21.057 1.00 0.00 H new ATOM 1281 N MET A 82 28.215 6.586 -23.970 1.00 0.00 N ATOM 1282 CA MET A 82 29.001 5.667 -24.785 1.00 0.00 C ATOM 1283 C MET A 82 28.229 5.251 -26.033 1.00 0.00 C ATOM 1284 O MET A 82 28.818 5.013 -27.087 1.00 0.00 O ATOM 1285 CB MET A 82 29.384 4.430 -23.971 1.00 0.00 C ATOM 1286 CG MET A 82 28.364 3.307 -24.057 1.00 0.00 C ATOM 1287 SD MET A 82 29.011 1.733 -23.460 1.00 0.00 S ATOM 1288 CE MET A 82 29.623 2.209 -21.845 1.00 0.00 C ATOM 0 H MET A 82 28.356 6.484 -22.965 1.00 0.00 H new ATOM 0 HA MET A 82 29.909 6.183 -25.097 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.349 4.061 -24.318 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.510 4.717 -22.927 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.482 3.577 -23.476 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.041 3.193 -25.092 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.674 1.932 -21.758 1.00 0.00 H new ATOM 0 HE2 MET A 82 29.520 3.287 -21.720 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.048 1.698 -21.073 1.00 0.00 H new