USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 496 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= 0.878 (180deg=0.459) USER MOD Single : A 16 CYS SG : rot -65:sc= -9.08! USER MOD Single : A 17 MET CE :methyl -113:sc= -0.24 (180deg=-3.42!) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 1.43 (180deg=1.36) USER MOD Single : A 29 ASN : amide:sc= -0.0811 X(o=-0.081,f=-0.036) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 47:sc= 0.0679 USER MOD Single : A 37 MET CE :methyl 158:sc= -1.46 (180deg=-3.5!) USER MOD Single : A 39 MET CE :methyl -149:sc= -0.117 (180deg=-2.75!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= 1.27 (180deg=0.616) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 47 TYR OH : rot 10:sc= 1.26 USER MOD Single : A 48 THR OG1 : rot -27:sc= 0.841 USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= 1.04 (180deg=-0.93!) USER MOD Single : A 52 THR OG1 : rot -62:sc= 0.233 USER MOD Single : A 56 MET CE :methyl 180:sc=-0.00161 (180deg=-0.00161) USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= 1.23 (180deg=0.274) USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= 2.11 (180deg=1.74) USER MOD Single : A 68 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 86:sc= 0.134 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 26.405 -30.007 -22.829 1.00 0.00 N ATOM 159 CA GLU A 12 27.547 -29.115 -23.066 1.00 0.00 C ATOM 160 C GLU A 12 27.508 -28.427 -24.448 1.00 0.00 C ATOM 161 O GLU A 12 28.154 -27.405 -24.671 1.00 0.00 O ATOM 162 CB GLU A 12 28.920 -29.729 -22.755 1.00 0.00 C ATOM 163 CG GLU A 12 29.246 -30.993 -23.562 1.00 0.00 C ATOM 164 CD GLU A 12 30.150 -30.671 -24.740 1.00 0.00 C ATOM 165 OE1 GLU A 12 31.321 -30.291 -24.515 1.00 0.00 O ATOM 166 OE2 GLU A 12 29.698 -30.800 -25.897 1.00 0.00 O ATOM 0 HA GLU A 12 27.420 -28.328 -22.322 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.690 -28.982 -22.946 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.965 -29.969 -21.693 1.00 0.00 H new ATOM 0 HG2 GLU A 12 29.731 -31.725 -22.917 1.00 0.00 H new ATOM 0 HG3 GLU A 12 28.323 -31.447 -23.922 1.00 0.00 H new ATOM 173 N LYS A 13 26.731 -28.993 -25.376 1.00 0.00 N ATOM 174 CA LYS A 13 26.398 -28.253 -26.599 1.00 0.00 C ATOM 175 C LYS A 13 25.757 -26.885 -26.309 1.00 0.00 C ATOM 176 O LYS A 13 26.304 -25.826 -26.646 1.00 0.00 O ATOM 177 CB LYS A 13 25.514 -29.048 -27.580 1.00 0.00 C ATOM 178 CG LYS A 13 25.976 -30.500 -27.758 1.00 0.00 C ATOM 179 CD LYS A 13 27.396 -30.575 -28.327 1.00 0.00 C ATOM 180 CE LYS A 13 27.855 -32.029 -28.453 1.00 0.00 C ATOM 181 NZ LYS A 13 28.199 -32.562 -27.122 1.00 0.00 N ATOM 0 H LYS A 13 26.332 -29.929 -25.311 1.00 0.00 H new ATOM 0 HA LYS A 13 27.360 -28.088 -27.085 1.00 0.00 H new ATOM 0 HB2 LYS A 13 24.485 -29.041 -27.221 1.00 0.00 H new ATOM 0 HB3 LYS A 13 25.517 -28.550 -28.549 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.941 -31.014 -26.797 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.289 -31.022 -28.424 1.00 0.00 H new ATOM 0 HD2 LYS A 13 27.427 -30.093 -29.304 1.00 0.00 H new ATOM 0 HD3 LYS A 13 28.081 -30.027 -27.680 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.066 -32.631 -28.903 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.719 -32.091 -29.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 28.892 -33.330 -27.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 28.606 -31.803 -26.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.341 -32.929 -26.663 1.00 0.00 H new ATOM 195 N ASP A 14 24.586 -26.908 -25.669 1.00 0.00 N ATOM 196 CA ASP A 14 23.972 -25.642 -25.253 1.00 0.00 C ATOM 197 C ASP A 14 24.896 -24.785 -24.381 1.00 0.00 C ATOM 198 O ASP A 14 24.963 -23.568 -24.521 1.00 0.00 O ATOM 199 CB ASP A 14 22.636 -25.854 -24.528 1.00 0.00 C ATOM 200 CG ASP A 14 21.892 -24.539 -24.310 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.118 -24.130 -25.201 1.00 0.00 O ATOM 202 OD2 ASP A 14 22.085 -23.907 -23.247 1.00 0.00 O ATOM 0 H ASP A 14 24.061 -27.750 -25.434 1.00 0.00 H new ATOM 0 HA ASP A 14 23.787 -25.101 -26.181 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.011 -26.533 -25.109 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.817 -26.333 -23.566 1.00 0.00 H new ATOM 207 N GLU A 15 25.615 -25.433 -23.476 1.00 0.00 N ATOM 208 CA GLU A 15 26.567 -24.700 -22.635 1.00 0.00 C ATOM 209 C GLU A 15 27.613 -23.929 -23.420 1.00 0.00 C ATOM 210 O GLU A 15 27.866 -22.757 -23.160 1.00 0.00 O ATOM 211 CB GLU A 15 27.302 -25.641 -21.672 1.00 0.00 C ATOM 212 CG GLU A 15 26.455 -26.030 -20.446 1.00 0.00 C ATOM 213 CD GLU A 15 26.134 -24.843 -19.545 1.00 0.00 C ATOM 214 OE1 GLU A 15 25.160 -24.114 -19.833 1.00 0.00 O ATOM 215 OE2 GLU A 15 26.840 -24.645 -18.534 1.00 0.00 O ATOM 0 H GLU A 15 25.566 -26.437 -23.303 1.00 0.00 H new ATOM 0 HA GLU A 15 25.953 -23.984 -22.088 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.593 -26.545 -22.207 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.221 -25.161 -21.334 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.524 -26.485 -20.784 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.988 -26.785 -19.868 1.00 0.00 H new ATOM 222 N CYS A 16 28.251 -24.586 -24.372 1.00 0.00 N ATOM 223 CA CYS A 16 29.294 -23.897 -25.129 1.00 0.00 C ATOM 224 C CYS A 16 28.758 -22.785 -26.040 1.00 0.00 C ATOM 225 O CYS A 16 29.427 -21.770 -26.240 1.00 0.00 O ATOM 226 CB CYS A 16 30.230 -24.847 -25.866 1.00 0.00 C ATOM 227 SG CYS A 16 29.257 -26.125 -26.713 1.00 0.00 S ATOM 0 H CYS A 16 28.080 -25.556 -24.636 1.00 0.00 H new ATOM 0 HA CYS A 16 29.900 -23.397 -24.373 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.831 -24.294 -26.588 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.923 -25.309 -25.163 1.00 0.00 H new ATOM 0 HG CYS A 16 28.641 -26.856 -25.832 1.00 0.00 H new ATOM 233 N MET A 17 27.546 -22.928 -26.583 1.00 0.00 N ATOM 234 CA MET A 17 27.001 -21.793 -27.354 1.00 0.00 C ATOM 235 C MET A 17 26.354 -20.714 -26.457 1.00 0.00 C ATOM 236 O MET A 17 26.447 -19.518 -26.733 1.00 0.00 O ATOM 237 CB MET A 17 26.073 -22.198 -28.511 1.00 0.00 C ATOM 238 CG MET A 17 26.172 -21.270 -29.748 1.00 0.00 C ATOM 239 SD MET A 17 27.357 -19.915 -29.506 1.00 0.00 S ATOM 240 CE MET A 17 28.679 -20.339 -30.680 1.00 0.00 C ATOM 0 H MET A 17 26.953 -23.755 -26.516 1.00 0.00 H new ATOM 0 HA MET A 17 27.877 -21.345 -27.824 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.310 -23.218 -28.814 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.043 -22.203 -28.154 1.00 0.00 H new ATOM 0 HG2 MET A 17 26.469 -21.858 -30.617 1.00 0.00 H new ATOM 0 HG3 MET A 17 25.188 -20.854 -29.966 1.00 0.00 H new ATOM 0 HE1 MET A 17 29.584 -20.598 -30.131 1.00 0.00 H new ATOM 0 HE2 MET A 17 28.367 -21.188 -31.288 1.00 0.00 H new ATOM 0 HE3 MET A 17 28.879 -19.485 -31.326 1.00 0.00 H new ATOM 250 N LYS A 18 25.682 -21.126 -25.380 1.00 0.00 N ATOM 251 CA LYS A 18 25.172 -20.144 -24.421 1.00 0.00 C ATOM 252 C LYS A 18 26.304 -19.404 -23.678 1.00 0.00 C ATOM 253 O LYS A 18 26.252 -18.193 -23.465 1.00 0.00 O ATOM 254 CB LYS A 18 24.149 -20.803 -23.483 1.00 0.00 C ATOM 255 CG LYS A 18 23.756 -19.922 -22.293 1.00 0.00 C ATOM 256 CD LYS A 18 24.355 -20.484 -20.999 1.00 0.00 C ATOM 257 CE LYS A 18 23.338 -21.339 -20.236 1.00 0.00 C ATOM 258 NZ LYS A 18 23.231 -22.680 -20.842 1.00 0.00 N ATOM 0 H LYS A 18 25.483 -22.100 -25.154 1.00 0.00 H new ATOM 0 HA LYS A 18 24.648 -19.363 -24.972 1.00 0.00 H new ATOM 0 HB2 LYS A 18 23.253 -21.052 -24.052 1.00 0.00 H new ATOM 0 HB3 LYS A 18 24.561 -21.741 -23.110 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.109 -18.903 -22.453 1.00 0.00 H new ATOM 0 HG3 LYS A 18 22.670 -19.874 -22.209 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.234 -21.085 -21.234 1.00 0.00 H new ATOM 0 HD3 LYS A 18 24.690 -19.663 -20.365 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.640 -21.428 -19.192 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.364 -20.851 -20.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.525 -23.240 -20.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.938 -22.589 -21.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 24.154 -23.157 -20.795 1.00 0.00 H new ATOM 272 N ILE A 19 27.344 -20.138 -23.293 1.00 0.00 N ATOM 273 CA ILE A 19 28.541 -19.479 -22.752 1.00 0.00 C ATOM 274 C ILE A 19 29.245 -18.615 -23.795 1.00 0.00 C ATOM 275 O ILE A 19 29.859 -17.600 -23.474 1.00 0.00 O ATOM 276 CB ILE A 19 29.485 -20.473 -22.065 1.00 0.00 C ATOM 277 CG1 ILE A 19 30.226 -19.827 -20.879 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.447 -21.158 -23.042 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.557 -19.197 -21.269 1.00 0.00 C ATOM 0 H ILE A 19 27.390 -21.156 -23.340 1.00 0.00 H new ATOM 0 HA ILE A 19 28.203 -18.795 -21.974 1.00 0.00 H new ATOM 0 HB ILE A 19 28.855 -21.266 -21.662 1.00 0.00 H new ATOM 0 HG12 ILE A 19 29.588 -19.064 -20.433 1.00 0.00 H new ATOM 0 HG13 ILE A 19 30.401 -20.583 -20.114 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.089 -21.849 -22.496 1.00 0.00 H new ATOM 0 HG22 ILE A 19 29.876 -21.707 -23.790 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.062 -20.405 -23.536 1.00 0.00 H new ATOM 0 HD11 ILE A 19 32.025 -18.761 -20.387 1.00 0.00 H new ATOM 0 HD12 ILE A 19 32.212 -19.961 -21.688 1.00 0.00 H new ATOM 0 HD13 ILE A 19 31.387 -18.418 -22.012 1.00 0.00 H new ATOM 291 N PHE A 20 29.165 -19.017 -25.061 1.00 0.00 N ATOM 292 CA PHE A 20 29.565 -18.090 -26.116 1.00 0.00 C ATOM 293 C PHE A 20 28.756 -16.789 -26.017 1.00 0.00 C ATOM 294 O PHE A 20 29.307 -15.700 -25.997 1.00 0.00 O ATOM 295 CB PHE A 20 29.451 -18.703 -27.519 1.00 0.00 C ATOM 296 CG PHE A 20 30.287 -17.957 -28.544 1.00 0.00 C ATOM 297 CD1 PHE A 20 31.615 -17.744 -28.347 1.00 0.00 C ATOM 298 CD2 PHE A 20 29.656 -17.321 -29.556 1.00 0.00 C ATOM 299 CE1 PHE A 20 32.231 -16.714 -28.977 1.00 0.00 C ATOM 300 CE2 PHE A 20 30.249 -16.260 -30.155 1.00 0.00 C ATOM 301 CZ PHE A 20 31.539 -15.959 -29.864 1.00 0.00 C ATOM 0 H PHE A 20 28.843 -19.933 -25.373 1.00 0.00 H new ATOM 0 HA PHE A 20 30.620 -17.865 -25.963 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.768 -19.745 -27.484 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.407 -18.697 -27.832 1.00 0.00 H new ATOM 0 HD1 PHE A 20 32.177 -18.393 -27.691 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.684 -17.657 -29.886 1.00 0.00 H new ATOM 0 HE1 PHE A 20 33.269 -16.496 -28.773 1.00 0.00 H new ATOM 0 HE2 PHE A 20 29.697 -15.657 -30.861 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.016 -15.115 -30.341 1.00 0.00 H new ATOM 311 N ASP A 21 27.445 -16.907 -25.846 1.00 0.00 N ATOM 312 CA ASP A 21 26.619 -15.701 -25.656 1.00 0.00 C ATOM 313 C ASP A 21 26.958 -14.883 -24.396 1.00 0.00 C ATOM 314 O ASP A 21 26.862 -13.655 -24.385 1.00 0.00 O ATOM 315 CB ASP A 21 25.132 -16.069 -25.680 1.00 0.00 C ATOM 316 CG ASP A 21 24.247 -14.915 -26.121 1.00 0.00 C ATOM 317 OD1 ASP A 21 23.816 -14.119 -25.260 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.973 -14.797 -27.336 1.00 0.00 O ATOM 0 H ASP A 21 26.935 -17.790 -25.833 1.00 0.00 H new ATOM 0 HA ASP A 21 26.855 -15.045 -26.494 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.982 -16.913 -26.353 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.827 -16.395 -24.686 1.00 0.00 H new ATOM 323 N ILE A 22 27.330 -15.564 -23.319 1.00 0.00 N ATOM 324 CA ILE A 22 27.792 -14.811 -22.131 1.00 0.00 C ATOM 325 C ILE A 22 29.181 -14.188 -22.368 1.00 0.00 C ATOM 326 O ILE A 22 29.377 -12.977 -22.254 1.00 0.00 O ATOM 327 CB ILE A 22 27.837 -15.567 -20.769 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.478 -16.136 -20.323 1.00 0.00 C ATOM 329 CG2 ILE A 22 28.313 -14.605 -19.673 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.707 -17.290 -19.342 1.00 0.00 C ATOM 0 H ILE A 22 27.328 -16.580 -23.230 1.00 0.00 H new ATOM 0 HA ILE A 22 27.007 -14.062 -22.026 1.00 0.00 H new ATOM 0 HB ILE A 22 28.517 -16.406 -20.916 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.882 -15.355 -19.851 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.916 -16.486 -21.189 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.346 -15.129 -18.718 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.309 -14.237 -19.920 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.623 -13.764 -19.602 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.746 -17.694 -19.025 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.287 -18.073 -19.831 1.00 0.00 H new ATOM 0 HD13 ILE A 22 27.252 -16.925 -18.471 1.00 0.00 H new ATOM 342 N PHE A 23 30.151 -15.036 -22.681 1.00 0.00 N ATOM 343 CA PHE A 23 31.537 -14.551 -22.791 1.00 0.00 C ATOM 344 C PHE A 23 31.830 -13.774 -24.077 1.00 0.00 C ATOM 345 O PHE A 23 32.788 -13.003 -24.142 1.00 0.00 O ATOM 346 CB PHE A 23 32.545 -15.704 -22.665 1.00 0.00 C ATOM 347 CG PHE A 23 32.790 -16.093 -21.209 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.771 -16.017 -20.319 1.00 0.00 C ATOM 349 CD2 PHE A 23 34.056 -16.220 -20.740 1.00 0.00 C ATOM 350 CE1 PHE A 23 32.024 -15.633 -19.044 1.00 0.00 C ATOM 351 CE2 PHE A 23 34.323 -15.878 -19.453 1.00 0.00 C ATOM 352 CZ PHE A 23 33.309 -15.522 -18.621 1.00 0.00 C ATOM 0 H PHE A 23 30.022 -16.032 -22.860 1.00 0.00 H new ATOM 0 HA PHE A 23 31.651 -13.855 -21.960 1.00 0.00 H new ATOM 0 HB2 PHE A 23 32.176 -16.570 -23.214 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.489 -15.413 -23.126 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.764 -16.261 -20.624 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.842 -16.589 -21.382 1.00 0.00 H new ATOM 0 HE1 PHE A 23 31.209 -15.417 -18.369 1.00 0.00 H new ATOM 0 HE2 PHE A 23 35.340 -15.889 -19.091 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.524 -15.153 -17.629 1.00 0.00 H new ATOM 362 N ASP A 24 31.024 -13.977 -25.118 1.00 0.00 N ATOM 363 CA ASP A 24 31.308 -13.285 -26.371 1.00 0.00 C ATOM 364 C ASP A 24 31.032 -11.764 -26.326 1.00 0.00 C ATOM 365 O ASP A 24 31.261 -11.054 -27.301 1.00 0.00 O ATOM 366 CB ASP A 24 30.579 -13.862 -27.598 1.00 0.00 C ATOM 367 CG ASP A 24 29.106 -13.446 -27.706 1.00 0.00 C ATOM 368 OD1 ASP A 24 28.480 -13.142 -26.669 1.00 0.00 O ATOM 369 OD2 ASP A 24 28.573 -13.418 -28.837 1.00 0.00 O ATOM 0 H ASP A 24 30.206 -14.586 -25.123 1.00 0.00 H new ATOM 0 HA ASP A 24 32.379 -13.455 -26.486 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.102 -13.544 -28.500 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.636 -14.950 -27.563 1.00 0.00 H new ATOM 437 N ASN A 29 33.764 -9.739 -29.177 1.00 0.00 N ATOM 438 CA ASN A 29 33.697 -10.634 -30.345 1.00 0.00 C ATOM 439 C ASN A 29 34.854 -11.627 -30.440 1.00 0.00 C ATOM 440 O ASN A 29 34.806 -12.575 -31.223 1.00 0.00 O ATOM 441 CB ASN A 29 33.481 -9.889 -31.677 1.00 0.00 C ATOM 442 CG ASN A 29 32.921 -10.796 -32.780 1.00 0.00 C ATOM 443 OD1 ASN A 29 33.524 -10.959 -33.838 1.00 0.00 O ATOM 444 ND2 ASN A 29 31.756 -11.387 -32.563 1.00 0.00 N ATOM 0 HA ASN A 29 32.802 -11.229 -30.165 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.797 -9.056 -31.516 1.00 0.00 H new ATOM 0 HB3 ASN A 29 34.428 -9.464 -32.008 1.00 0.00 H new ATOM 0 HD21 ASN A 29 31.347 -11.987 -33.279 1.00 0.00 H new ATOM 0 HD22 ASN A 29 31.267 -11.242 -31.680 1.00 0.00 H new ATOM 451 N ILE A 30 35.897 -11.429 -29.649 1.00 0.00 N ATOM 452 CA ILE A 30 36.976 -12.412 -29.651 1.00 0.00 C ATOM 453 C ILE A 30 37.431 -12.664 -28.208 1.00 0.00 C ATOM 454 O ILE A 30 38.248 -11.936 -27.641 1.00 0.00 O ATOM 455 CB ILE A 30 38.120 -12.081 -30.632 1.00 0.00 C ATOM 456 CG1 ILE A 30 38.730 -10.697 -30.311 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.622 -12.111 -32.080 1.00 0.00 C ATOM 458 CD1 ILE A 30 39.574 -10.139 -31.464 1.00 0.00 C ATOM 0 H ILE A 30 36.022 -10.634 -29.022 1.00 0.00 H new ATOM 0 HA ILE A 30 36.589 -13.350 -30.048 1.00 0.00 H new ATOM 0 HB ILE A 30 38.893 -12.841 -30.515 1.00 0.00 H new ATOM 0 HG12 ILE A 30 37.928 -9.996 -30.081 1.00 0.00 H new ATOM 0 HG13 ILE A 30 39.350 -10.776 -29.418 1.00 0.00 H new ATOM 0 HG21 ILE A 30 38.446 -11.875 -32.753 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.237 -13.104 -32.312 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.828 -11.376 -32.207 1.00 0.00 H new ATOM 0 HD11 ILE A 30 39.977 -9.166 -31.182 1.00 0.00 H new ATOM 0 HD12 ILE A 30 40.395 -10.823 -31.678 1.00 0.00 H new ATOM 0 HD13 ILE A 30 38.951 -10.031 -32.352 1.00 0.00 H new ATOM 470 N ALA A 31 36.864 -13.700 -27.600 1.00 0.00 N ATOM 471 CA ALA A 31 37.133 -13.940 -26.174 1.00 0.00 C ATOM 472 C ALA A 31 38.488 -14.631 -25.940 1.00 0.00 C ATOM 473 O ALA A 31 38.743 -15.691 -26.495 1.00 0.00 O ATOM 474 CB ALA A 31 36.009 -14.739 -25.515 1.00 0.00 C ATOM 0 H ALA A 31 36.237 -14.369 -28.046 1.00 0.00 H new ATOM 0 HA ALA A 31 37.179 -12.957 -25.705 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.243 -14.896 -24.462 1.00 0.00 H new ATOM 0 HB2 ALA A 31 35.073 -14.188 -25.600 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.908 -15.704 -26.012 1.00 0.00 H new ATOM 480 N PRO A 32 39.342 -14.136 -25.044 1.00 0.00 N ATOM 481 CA PRO A 32 40.728 -14.615 -25.022 1.00 0.00 C ATOM 482 C PRO A 32 40.911 -15.905 -24.197 1.00 0.00 C ATOM 483 O PRO A 32 39.968 -16.566 -23.767 1.00 0.00 O ATOM 484 CB PRO A 32 41.480 -13.442 -24.370 1.00 0.00 C ATOM 485 CG PRO A 32 40.429 -12.554 -23.697 1.00 0.00 C ATOM 486 CD PRO A 32 39.114 -12.843 -24.408 1.00 0.00 C ATOM 0 HA PRO A 32 41.084 -14.881 -26.017 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.202 -13.806 -23.639 1.00 0.00 H new ATOM 0 HB3 PRO A 32 42.039 -12.879 -25.118 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.354 -12.777 -22.633 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.696 -11.501 -23.784 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.280 -12.883 -23.707 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.877 -12.072 -25.141 1.00 0.00 H new ATOM 494 N VAL A 33 42.176 -16.248 -23.999 1.00 0.00 N ATOM 495 CA VAL A 33 42.527 -17.398 -23.112 1.00 0.00 C ATOM 496 C VAL A 33 41.863 -17.327 -21.724 1.00 0.00 C ATOM 497 O VAL A 33 41.289 -18.300 -21.229 1.00 0.00 O ATOM 498 CB VAL A 33 44.044 -17.573 -22.904 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.732 -16.279 -22.448 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.375 -18.702 -21.926 1.00 0.00 C ATOM 0 H VAL A 33 42.974 -15.773 -24.420 1.00 0.00 H new ATOM 0 HA VAL A 33 42.137 -18.259 -23.655 1.00 0.00 H new ATOM 0 HB VAL A 33 44.436 -17.841 -23.885 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.799 -16.461 -22.317 1.00 0.00 H new ATOM 0 HG12 VAL A 33 44.585 -15.504 -23.201 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.301 -15.952 -21.502 1.00 0.00 H new ATOM 0 HG21 VAL A 33 45.456 -18.782 -21.816 1.00 0.00 H new ATOM 0 HG22 VAL A 33 43.926 -18.487 -20.956 1.00 0.00 H new ATOM 0 HG23 VAL A 33 43.978 -19.643 -22.308 1.00 0.00 H new ATOM 510 N SER A 34 42.001 -16.178 -21.065 1.00 0.00 N ATOM 511 CA SER A 34 41.393 -16.033 -19.734 1.00 0.00 C ATOM 512 C SER A 34 39.894 -16.358 -19.721 1.00 0.00 C ATOM 513 O SER A 34 39.355 -16.859 -18.735 1.00 0.00 O ATOM 514 CB SER A 34 41.651 -14.655 -19.116 1.00 0.00 C ATOM 515 OG SER A 34 41.047 -13.641 -19.911 1.00 0.00 O ATOM 0 H SER A 34 42.506 -15.361 -21.409 1.00 0.00 H new ATOM 0 HA SER A 34 41.892 -16.776 -19.112 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.249 -14.621 -18.103 1.00 0.00 H new ATOM 0 HB3 SER A 34 42.724 -14.477 -19.040 1.00 0.00 H new ATOM 0 HG SER A 34 41.216 -12.764 -19.507 1.00 0.00 H new ATOM 521 N ASP A 35 39.218 -16.065 -20.830 1.00 0.00 N ATOM 522 CA ASP A 35 37.829 -16.536 -20.975 1.00 0.00 C ATOM 523 C ASP A 35 37.706 -18.070 -20.823 1.00 0.00 C ATOM 524 O ASP A 35 36.865 -18.594 -20.085 1.00 0.00 O ATOM 525 CB ASP A 35 37.176 -15.977 -22.263 1.00 0.00 C ATOM 526 CG ASP A 35 36.723 -17.045 -23.266 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.587 -17.702 -23.885 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.499 -17.215 -23.449 1.00 0.00 O ATOM 0 H ASP A 35 39.584 -15.527 -21.616 1.00 0.00 H new ATOM 0 HA ASP A 35 37.252 -16.129 -20.145 1.00 0.00 H new ATOM 0 HB2 ASP A 35 36.314 -15.371 -21.984 1.00 0.00 H new ATOM 0 HB3 ASP A 35 37.886 -15.313 -22.756 1.00 0.00 H new ATOM 533 N THR A 36 38.600 -18.775 -21.507 1.00 0.00 N ATOM 534 CA THR A 36 38.635 -20.236 -21.415 1.00 0.00 C ATOM 535 C THR A 36 38.890 -20.750 -19.982 1.00 0.00 C ATOM 536 O THR A 36 38.303 -21.747 -19.557 1.00 0.00 O ATOM 537 CB THR A 36 39.597 -20.788 -22.493 1.00 0.00 C ATOM 538 OG1 THR A 36 39.020 -20.565 -23.772 1.00 0.00 O ATOM 539 CG2 THR A 36 39.884 -22.282 -22.356 1.00 0.00 C ATOM 0 H THR A 36 39.303 -18.369 -22.124 1.00 0.00 H new ATOM 0 HA THR A 36 37.645 -20.635 -21.634 1.00 0.00 H new ATOM 0 HB THR A 36 40.544 -20.265 -22.365 1.00 0.00 H new ATOM 0 HG1 THR A 36 38.699 -19.641 -23.829 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.566 -22.596 -23.147 1.00 0.00 H new ATOM 0 HG22 THR A 36 40.340 -22.477 -21.385 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.952 -22.841 -22.438 1.00 0.00 H new ATOM 547 N MET A 37 39.713 -20.043 -19.199 1.00 0.00 N ATOM 548 CA MET A 37 39.879 -20.451 -17.794 1.00 0.00 C ATOM 549 C MET A 37 38.644 -20.160 -16.950 1.00 0.00 C ATOM 550 O MET A 37 38.128 -21.038 -16.255 1.00 0.00 O ATOM 551 CB MET A 37 41.088 -19.799 -17.111 1.00 0.00 C ATOM 552 CG MET A 37 42.413 -20.269 -17.696 1.00 0.00 C ATOM 553 SD MET A 37 42.681 -19.481 -19.281 1.00 0.00 S ATOM 554 CE MET A 37 42.519 -20.928 -20.324 1.00 0.00 C ATOM 0 H MET A 37 40.251 -19.227 -19.490 1.00 0.00 H new ATOM 0 HA MET A 37 40.042 -21.527 -17.848 1.00 0.00 H new ATOM 0 HB2 MET A 37 41.016 -18.716 -17.208 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.065 -20.025 -16.045 1.00 0.00 H new ATOM 0 HG2 MET A 37 43.229 -20.027 -17.015 1.00 0.00 H new ATOM 0 HG3 MET A 37 42.407 -21.353 -17.813 1.00 0.00 H new ATOM 0 HE1 MET A 37 42.265 -20.619 -21.338 1.00 0.00 H new ATOM 0 HE2 MET A 37 43.462 -21.475 -20.337 1.00 0.00 H new ATOM 0 HE3 MET A 37 41.731 -21.572 -19.933 1.00 0.00 H new ATOM 564 N ASP A 38 38.198 -18.904 -16.971 1.00 0.00 N ATOM 565 CA ASP A 38 36.950 -18.557 -16.275 1.00 0.00 C ATOM 566 C ASP A 38 35.858 -19.608 -16.416 1.00 0.00 C ATOM 567 O ASP A 38 35.287 -20.082 -15.433 1.00 0.00 O ATOM 568 CB ASP A 38 36.363 -17.235 -16.763 1.00 0.00 C ATOM 569 CG ASP A 38 36.893 -16.048 -15.971 1.00 0.00 C ATOM 570 OD1 ASP A 38 37.935 -15.477 -16.357 1.00 0.00 O ATOM 571 OD2 ASP A 38 36.263 -15.681 -14.955 1.00 0.00 O ATOM 0 H ASP A 38 38.662 -18.129 -17.445 1.00 0.00 H new ATOM 0 HA ASP A 38 37.249 -18.486 -15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.600 -17.101 -17.819 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.277 -17.269 -16.682 1.00 0.00 H new ATOM 576 N MET A 39 35.574 -19.989 -17.652 1.00 0.00 N ATOM 577 CA MET A 39 34.385 -20.804 -17.869 1.00 0.00 C ATOM 578 C MET A 39 34.599 -22.309 -17.950 1.00 0.00 C ATOM 579 O MET A 39 33.684 -23.081 -17.671 1.00 0.00 O ATOM 580 CB MET A 39 33.534 -20.183 -18.952 1.00 0.00 C ATOM 581 CG MET A 39 32.738 -19.021 -18.339 1.00 0.00 C ATOM 582 SD MET A 39 31.059 -19.563 -17.970 1.00 0.00 S ATOM 583 CE MET A 39 30.364 -18.018 -17.363 1.00 0.00 C ATOM 0 H MET A 39 36.119 -19.762 -18.484 1.00 0.00 H new ATOM 0 HA MET A 39 33.802 -20.777 -16.948 1.00 0.00 H new ATOM 0 HB2 MET A 39 34.161 -19.824 -19.768 1.00 0.00 H new ATOM 0 HB3 MET A 39 32.857 -20.925 -19.374 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.226 -18.673 -17.429 1.00 0.00 H new ATOM 0 HG3 MET A 39 32.715 -18.179 -19.030 1.00 0.00 H new ATOM 0 HE1 MET A 39 29.599 -18.232 -16.617 1.00 0.00 H new ATOM 0 HE2 MET A 39 31.153 -17.417 -16.912 1.00 0.00 H new ATOM 0 HE3 MET A 39 29.919 -17.469 -18.192 1.00 0.00 H new ATOM 593 N LEU A 40 35.790 -22.774 -18.296 1.00 0.00 N ATOM 594 CA LEU A 40 36.059 -24.193 -18.025 1.00 0.00 C ATOM 595 C LEU A 40 36.183 -24.467 -16.510 1.00 0.00 C ATOM 596 O LEU A 40 36.104 -25.609 -16.058 1.00 0.00 O ATOM 597 CB LEU A 40 37.184 -24.811 -18.874 1.00 0.00 C ATOM 598 CG LEU A 40 36.761 -25.209 -20.314 1.00 0.00 C ATOM 599 CD1 LEU A 40 35.246 -25.310 -20.520 1.00 0.00 C ATOM 600 CD2 LEU A 40 37.381 -24.265 -21.334 1.00 0.00 C ATOM 0 H LEU A 40 36.542 -22.242 -18.734 1.00 0.00 H new ATOM 0 HA LEU A 40 35.178 -24.735 -18.368 1.00 0.00 H new ATOM 0 HB2 LEU A 40 38.008 -24.100 -18.935 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.563 -25.696 -18.363 1.00 0.00 H new ATOM 0 HG LEU A 40 37.145 -26.218 -20.467 1.00 0.00 H new ATOM 0 HD11 LEU A 40 35.037 -25.592 -21.552 1.00 0.00 H new ATOM 0 HD12 LEU A 40 34.837 -26.064 -19.848 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.785 -24.346 -20.307 1.00 0.00 H new ATOM 0 HD21 LEU A 40 37.073 -24.560 -22.337 1.00 0.00 H new ATOM 0 HD22 LEU A 40 37.047 -23.246 -21.137 1.00 0.00 H new ATOM 0 HD23 LEU A 40 38.467 -24.312 -21.260 1.00 0.00 H new ATOM 612 N THR A 41 36.332 -23.405 -15.719 1.00 0.00 N ATOM 613 CA THR A 41 36.174 -23.551 -14.273 1.00 0.00 C ATOM 614 C THR A 41 34.693 -23.510 -13.850 1.00 0.00 C ATOM 615 O THR A 41 34.188 -24.432 -13.208 1.00 0.00 O ATOM 616 CB THR A 41 37.015 -22.497 -13.523 1.00 0.00 C ATOM 617 OG1 THR A 41 38.354 -22.961 -13.425 1.00 0.00 O ATOM 618 CG2 THR A 41 36.490 -22.208 -12.114 1.00 0.00 C ATOM 0 H THR A 41 36.555 -22.463 -16.041 1.00 0.00 H new ATOM 0 HA THR A 41 36.549 -24.536 -13.995 1.00 0.00 H new ATOM 0 HB THR A 41 36.953 -21.569 -14.092 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.897 -22.297 -12.951 1.00 0.00 H new ATOM 0 HG21 THR A 41 37.122 -21.459 -11.637 1.00 0.00 H new ATOM 0 HG22 THR A 41 35.468 -21.834 -12.176 1.00 0.00 H new ATOM 0 HG23 THR A 41 36.505 -23.125 -11.525 1.00 0.00 H new ATOM 626 N LYS A 42 33.991 -22.435 -14.212 1.00 0.00 N ATOM 627 CA LYS A 42 32.638 -22.245 -13.665 1.00 0.00 C ATOM 628 C LYS A 42 31.458 -22.637 -14.569 1.00 0.00 C ATOM 629 O LYS A 42 30.314 -22.666 -14.116 1.00 0.00 O ATOM 630 CB LYS A 42 32.463 -20.843 -13.058 1.00 0.00 C ATOM 631 CG LYS A 42 32.413 -19.739 -14.126 1.00 0.00 C ATOM 632 CD LYS A 42 33.088 -18.459 -13.620 1.00 0.00 C ATOM 633 CE LYS A 42 32.947 -17.322 -14.636 1.00 0.00 C ATOM 634 NZ LYS A 42 33.716 -16.146 -14.185 1.00 0.00 N ATOM 0 H LYS A 42 34.314 -21.709 -14.852 1.00 0.00 H new ATOM 0 HA LYS A 42 32.585 -22.988 -12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 42 31.545 -20.817 -12.471 1.00 0.00 H new ATOM 0 HB3 LYS A 42 33.286 -20.643 -12.372 1.00 0.00 H new ATOM 0 HG2 LYS A 42 32.909 -20.082 -15.034 1.00 0.00 H new ATOM 0 HG3 LYS A 42 31.376 -19.529 -14.390 1.00 0.00 H new ATOM 0 HD2 LYS A 42 32.643 -18.160 -12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.144 -18.652 -13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.305 -17.649 -15.612 1.00 0.00 H new ATOM 0 HE3 LYS A 42 31.896 -17.057 -14.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 33.147 -15.286 -14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.950 -16.250 -13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.593 -16.072 -14.738 1.00 0.00 H new ATOM 648 N LEU A 43 31.700 -22.893 -15.848 1.00 0.00 N ATOM 649 CA LEU A 43 30.609 -23.353 -16.701 1.00 0.00 C ATOM 650 C LEU A 43 30.561 -24.887 -16.811 1.00 0.00 C ATOM 651 O LEU A 43 29.504 -25.477 -17.032 1.00 0.00 O ATOM 652 CB LEU A 43 30.639 -22.611 -18.059 1.00 0.00 C ATOM 653 CG LEU A 43 30.487 -23.508 -19.306 1.00 0.00 C ATOM 654 CD1 LEU A 43 29.310 -23.049 -20.143 1.00 0.00 C ATOM 655 CD2 LEU A 43 31.712 -23.443 -20.200 1.00 0.00 C ATOM 0 H LEU A 43 32.606 -22.795 -16.306 1.00 0.00 H new ATOM 0 HA LEU A 43 29.661 -23.092 -16.231 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.841 -21.869 -18.066 1.00 0.00 H new ATOM 0 HB3 LEU A 43 31.580 -22.067 -18.136 1.00 0.00 H new ATOM 0 HG LEU A 43 30.346 -24.525 -18.940 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.214 -23.690 -21.019 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.397 -23.107 -19.550 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.470 -22.019 -20.463 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.565 -24.088 -21.066 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.865 -22.417 -20.534 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.587 -23.777 -19.643 1.00 0.00 H new ATOM 667 N GLY A 44 31.708 -25.538 -16.638 1.00 0.00 N ATOM 668 CA GLY A 44 31.742 -26.986 -16.908 1.00 0.00 C ATOM 669 C GLY A 44 32.618 -27.769 -15.927 1.00 0.00 C ATOM 670 O GLY A 44 32.576 -28.999 -15.905 1.00 0.00 O ATOM 0 H GLY A 44 32.586 -25.121 -16.329 1.00 0.00 H new ATOM 0 HA2 GLY A 44 30.726 -27.379 -16.869 1.00 0.00 H new ATOM 0 HA3 GLY A 44 32.109 -27.150 -17.921 1.00 0.00 H new ATOM 674 N GLN A 45 33.439 -27.076 -15.135 1.00 0.00 N ATOM 675 CA GLN A 45 34.272 -27.786 -14.150 1.00 0.00 C ATOM 676 C GLN A 45 35.565 -28.336 -14.760 1.00 0.00 C ATOM 677 O GLN A 45 36.667 -27.934 -14.387 1.00 0.00 O ATOM 678 CB GLN A 45 33.513 -28.858 -13.341 1.00 0.00 C ATOM 679 CG GLN A 45 34.162 -29.109 -11.978 1.00 0.00 C ATOM 680 CD GLN A 45 33.464 -30.242 -11.236 1.00 0.00 C ATOM 681 OE1 GLN A 45 32.532 -30.032 -10.464 1.00 0.00 O ATOM 682 NE2 GLN A 45 33.915 -31.462 -11.458 1.00 0.00 N ATOM 0 H GLN A 45 33.547 -26.062 -15.149 1.00 0.00 H new ATOM 0 HA GLN A 45 34.557 -27.023 -13.426 1.00 0.00 H new ATOM 0 HB2 GLN A 45 32.480 -28.541 -13.198 1.00 0.00 H new ATOM 0 HB3 GLN A 45 33.486 -29.789 -13.907 1.00 0.00 H new ATOM 0 HG2 GLN A 45 35.215 -29.354 -12.113 1.00 0.00 H new ATOM 0 HG3 GLN A 45 34.121 -28.199 -11.379 1.00 0.00 H new ATOM 0 HE21 GLN A 45 34.690 -31.609 -12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.488 -32.258 -10.984 1.00 0.00 H new ATOM 691 N THR A 46 35.438 -29.265 -15.704 1.00 0.00 N ATOM 692 CA THR A 46 36.635 -29.886 -16.282 1.00 0.00 C ATOM 693 C THR A 46 36.269 -30.811 -17.489 1.00 0.00 C ATOM 694 O THR A 46 35.083 -31.009 -17.765 1.00 0.00 O ATOM 695 CB THR A 46 37.450 -30.644 -15.206 1.00 0.00 C ATOM 696 OG1 THR A 46 38.379 -31.535 -15.807 1.00 0.00 O ATOM 697 CG2 THR A 46 36.535 -31.443 -14.259 1.00 0.00 C ATOM 0 H THR A 46 34.550 -29.599 -16.078 1.00 0.00 H new ATOM 0 HA THR A 46 37.270 -29.088 -16.667 1.00 0.00 H new ATOM 0 HB THR A 46 37.986 -29.891 -14.628 1.00 0.00 H new ATOM 0 HG1 THR A 46 38.884 -32.002 -15.108 1.00 0.00 H new ATOM 0 HG21 THR A 46 37.143 -31.962 -13.518 1.00 0.00 H new ATOM 0 HG22 THR A 46 35.850 -30.762 -13.754 1.00 0.00 H new ATOM 0 HG23 THR A 46 35.964 -32.172 -14.834 1.00 0.00 H new ATOM 705 N TYR A 47 37.239 -31.380 -18.241 1.00 0.00 N ATOM 706 CA TYR A 47 36.826 -32.230 -19.372 1.00 0.00 C ATOM 707 C TYR A 47 37.370 -33.669 -19.203 1.00 0.00 C ATOM 708 O TYR A 47 36.948 -34.400 -18.308 1.00 0.00 O ATOM 709 CB TYR A 47 37.163 -31.611 -20.740 1.00 0.00 C ATOM 710 CG TYR A 47 35.981 -30.903 -21.397 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.150 -31.575 -22.238 1.00 0.00 C ATOM 712 CD2 TYR A 47 35.885 -29.552 -21.320 1.00 0.00 C ATOM 713 CE1 TYR A 47 33.997 -30.971 -22.649 1.00 0.00 C ATOM 714 CE2 TYR A 47 34.731 -28.943 -21.714 1.00 0.00 C ATOM 715 CZ TYR A 47 33.791 -29.656 -22.382 1.00 0.00 C ATOM 716 OH TYR A 47 32.642 -29.042 -22.811 1.00 0.00 O ATOM 0 H TYR A 47 38.244 -31.276 -18.099 1.00 0.00 H new ATOM 0 HA TYR A 47 35.738 -32.293 -19.356 1.00 0.00 H new ATOM 0 HB2 TYR A 47 37.979 -30.899 -20.616 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.522 -32.396 -21.406 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.398 -32.570 -22.575 1.00 0.00 H new ATOM 0 HD2 TYR A 47 36.713 -28.966 -20.951 1.00 0.00 H new ATOM 0 HE1 TYR A 47 33.250 -31.538 -23.185 1.00 0.00 H new ATOM 0 HE2 TYR A 47 34.566 -27.898 -21.495 1.00 0.00 H new ATOM 0 HH TYR A 47 32.019 -29.716 -23.153 1.00 0.00 H new ATOM 726 N THR A 48 38.323 -34.083 -20.042 1.00 0.00 N ATOM 727 CA THR A 48 38.883 -35.437 -19.903 1.00 0.00 C ATOM 728 C THR A 48 40.213 -35.549 -20.663 1.00 0.00 C ATOM 729 O THR A 48 40.305 -35.195 -21.839 1.00 0.00 O ATOM 730 CB THR A 48 37.924 -36.552 -20.370 1.00 0.00 C ATOM 731 OG1 THR A 48 36.684 -36.433 -19.687 1.00 0.00 O ATOM 732 CG2 THR A 48 38.499 -37.942 -20.085 1.00 0.00 C ATOM 0 H THR A 48 38.715 -33.525 -20.801 1.00 0.00 H new ATOM 0 HA THR A 48 39.046 -35.586 -18.836 1.00 0.00 H new ATOM 0 HB THR A 48 37.786 -36.439 -21.445 1.00 0.00 H new ATOM 0 HG1 THR A 48 36.829 -36.001 -18.819 1.00 0.00 H new ATOM 0 HG21 THR A 48 37.797 -38.703 -20.427 1.00 0.00 H new ATOM 0 HG22 THR A 48 39.446 -38.059 -20.612 1.00 0.00 H new ATOM 0 HG23 THR A 48 38.663 -38.055 -19.013 1.00 0.00 H new ATOM 740 N LYS A 49 41.249 -36.054 -19.992 1.00 0.00 N ATOM 741 CA LYS A 49 42.553 -36.214 -20.669 1.00 0.00 C ATOM 742 C LYS A 49 43.308 -34.882 -20.837 1.00 0.00 C ATOM 743 O LYS A 49 42.752 -33.796 -20.664 1.00 0.00 O ATOM 744 CB LYS A 49 42.444 -36.996 -21.997 1.00 0.00 C ATOM 745 CG LYS A 49 43.684 -37.854 -22.287 1.00 0.00 C ATOM 746 CD LYS A 49 43.343 -38.964 -23.288 1.00 0.00 C ATOM 747 CE LYS A 49 44.609 -39.596 -23.874 1.00 0.00 C ATOM 748 NZ LYS A 49 45.012 -38.875 -25.095 1.00 0.00 N ATOM 0 H LYS A 49 41.224 -36.352 -19.017 1.00 0.00 H new ATOM 0 HA LYS A 49 43.159 -36.825 -20.000 1.00 0.00 H new ATOM 0 HB2 LYS A 49 41.564 -37.638 -21.964 1.00 0.00 H new ATOM 0 HB3 LYS A 49 42.295 -36.293 -22.816 1.00 0.00 H new ATOM 0 HG2 LYS A 49 44.482 -37.228 -22.686 1.00 0.00 H new ATOM 0 HG3 LYS A 49 44.056 -38.292 -21.361 1.00 0.00 H new ATOM 0 HD2 LYS A 49 42.747 -39.731 -22.794 1.00 0.00 H new ATOM 0 HD3 LYS A 49 42.732 -38.555 -24.093 1.00 0.00 H new ATOM 0 HE2 LYS A 49 45.414 -39.565 -23.140 1.00 0.00 H new ATOM 0 HE3 LYS A 49 44.428 -40.646 -24.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 45.044 -39.538 -25.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 44.323 -38.122 -25.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 45.953 -38.455 -24.955 1.00 0.00 H new ATOM 762 N ARG A 50 44.597 -34.961 -21.161 1.00 0.00 N ATOM 763 CA ARG A 50 45.378 -33.719 -21.316 1.00 0.00 C ATOM 764 C ARG A 50 45.103 -32.944 -22.623 1.00 0.00 C ATOM 765 O ARG A 50 45.569 -31.819 -22.813 1.00 0.00 O ATOM 766 CB ARG A 50 46.883 -33.971 -21.134 1.00 0.00 C ATOM 767 CG ARG A 50 47.616 -32.689 -20.719 1.00 0.00 C ATOM 768 CD ARG A 50 49.045 -32.984 -20.266 1.00 0.00 C ATOM 769 NE ARG A 50 49.613 -31.769 -19.666 1.00 0.00 N ATOM 770 CZ ARG A 50 50.288 -31.870 -18.531 1.00 0.00 C ATOM 771 NH1 ARG A 50 51.180 -32.828 -18.365 1.00 0.00 N ATOM 772 NH2 ARG A 50 50.082 -30.993 -17.572 1.00 0.00 N ATOM 0 H ARG A 50 45.112 -35.827 -21.317 1.00 0.00 H new ATOM 0 HA ARG A 50 45.028 -33.070 -20.514 1.00 0.00 H new ATOM 0 HB2 ARG A 50 47.036 -34.741 -20.378 1.00 0.00 H new ATOM 0 HB3 ARG A 50 47.306 -34.349 -22.065 1.00 0.00 H new ATOM 0 HG2 ARG A 50 47.635 -31.992 -21.557 1.00 0.00 H new ATOM 0 HG3 ARG A 50 47.070 -32.202 -19.911 1.00 0.00 H new ATOM 0 HD2 ARG A 50 49.051 -33.800 -19.543 1.00 0.00 H new ATOM 0 HD3 ARG A 50 49.651 -33.305 -21.113 1.00 0.00 H new ATOM 0 HE ARG A 50 49.489 -30.862 -20.116 1.00 0.00 H new ATOM 0 HH11 ARG A 50 51.354 -33.498 -19.114 1.00 0.00 H new ATOM 0 HH12 ARG A 50 51.695 -32.898 -17.488 1.00 0.00 H new ATOM 0 HH21 ARG A 50 49.406 -30.241 -17.705 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.599 -31.065 -16.695 1.00 0.00 H new ATOM 786 N GLU A 51 44.349 -33.536 -23.541 1.00 0.00 N ATOM 787 CA GLU A 51 43.996 -32.792 -24.757 1.00 0.00 C ATOM 788 C GLU A 51 42.966 -31.670 -24.494 1.00 0.00 C ATOM 789 O GLU A 51 42.879 -30.688 -25.231 1.00 0.00 O ATOM 790 CB GLU A 51 43.598 -33.716 -25.913 1.00 0.00 C ATOM 791 CG GLU A 51 44.782 -34.563 -26.407 1.00 0.00 C ATOM 792 CD GLU A 51 45.053 -35.752 -25.494 1.00 0.00 C ATOM 793 OE1 GLU A 51 44.085 -36.406 -25.051 1.00 0.00 O ATOM 794 OE2 GLU A 51 46.237 -36.042 -25.219 1.00 0.00 O ATOM 0 H GLU A 51 43.981 -34.485 -23.480 1.00 0.00 H new ATOM 0 HA GLU A 51 44.905 -32.284 -25.080 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.791 -34.374 -25.590 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.211 -33.118 -26.738 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.576 -34.920 -27.416 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.674 -33.940 -26.465 1.00 0.00 H new ATOM 801 N THR A 52 42.182 -31.787 -23.427 1.00 0.00 N ATOM 802 CA THR A 52 41.397 -30.619 -23.009 1.00 0.00 C ATOM 803 C THR A 52 42.302 -29.547 -22.358 1.00 0.00 C ATOM 804 O THR A 52 42.015 -28.352 -22.383 1.00 0.00 O ATOM 805 CB THR A 52 40.162 -30.958 -22.158 1.00 0.00 C ATOM 806 OG1 THR A 52 40.017 -32.364 -22.041 1.00 0.00 O ATOM 807 CG2 THR A 52 38.882 -30.421 -22.804 1.00 0.00 C ATOM 0 H THR A 52 42.071 -32.627 -22.859 1.00 0.00 H new ATOM 0 HA THR A 52 40.978 -30.192 -23.920 1.00 0.00 H new ATOM 0 HB THR A 52 40.310 -30.498 -21.181 1.00 0.00 H new ATOM 0 HG1 THR A 52 39.881 -32.754 -22.930 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.025 -30.676 -22.180 1.00 0.00 H new ATOM 0 HG22 THR A 52 38.951 -29.338 -22.902 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.758 -30.867 -23.791 1.00 0.00 H new ATOM 815 N GLU A 53 43.419 -29.965 -21.772 1.00 0.00 N ATOM 816 CA GLU A 53 44.492 -28.985 -21.507 1.00 0.00 C ATOM 817 C GLU A 53 44.884 -28.262 -22.809 1.00 0.00 C ATOM 818 O GLU A 53 45.160 -27.062 -22.830 1.00 0.00 O ATOM 819 CB GLU A 53 45.748 -29.607 -20.878 1.00 0.00 C ATOM 820 CG GLU A 53 46.075 -28.997 -19.508 1.00 0.00 C ATOM 821 CD GLU A 53 47.486 -29.358 -19.063 1.00 0.00 C ATOM 822 OE1 GLU A 53 48.428 -29.238 -19.878 1.00 0.00 O ATOM 823 OE2 GLU A 53 47.664 -29.768 -17.897 1.00 0.00 O ATOM 0 H GLU A 53 43.611 -30.923 -21.480 1.00 0.00 H new ATOM 0 HA GLU A 53 44.085 -28.280 -20.782 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.603 -30.682 -20.770 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.596 -29.465 -21.548 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.973 -27.913 -19.557 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.357 -29.352 -18.769 1.00 0.00 H new ATOM 830 N ALA A 54 44.922 -29.027 -23.901 1.00 0.00 N ATOM 831 CA ALA A 54 45.020 -28.401 -25.234 1.00 0.00 C ATOM 832 C ALA A 54 43.936 -27.351 -25.468 1.00 0.00 C ATOM 833 O ALA A 54 44.191 -26.320 -26.078 1.00 0.00 O ATOM 834 CB ALA A 54 44.943 -29.385 -26.402 1.00 0.00 C ATOM 0 H ALA A 54 44.888 -30.046 -23.900 1.00 0.00 H new ATOM 0 HA ALA A 54 46.010 -27.946 -25.217 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.023 -28.840 -27.343 1.00 0.00 H new ATOM 0 HB2 ALA A 54 45.760 -30.103 -26.328 1.00 0.00 H new ATOM 0 HB3 ALA A 54 43.991 -29.915 -26.369 1.00 0.00 H new ATOM 840 N ILE A 55 42.701 -27.628 -25.044 1.00 0.00 N ATOM 841 CA ILE A 55 41.680 -26.544 -25.059 1.00 0.00 C ATOM 842 C ILE A 55 42.261 -25.274 -24.439 1.00 0.00 C ATOM 843 O ILE A 55 42.377 -24.217 -25.066 1.00 0.00 O ATOM 844 CB ILE A 55 40.367 -26.793 -24.255 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.456 -27.791 -24.898 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.587 -25.495 -24.098 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.145 -27.984 -24.140 1.00 0.00 C ATOM 0 H ILE A 55 42.382 -28.534 -24.702 1.00 0.00 H new ATOM 0 HA ILE A 55 41.426 -26.480 -26.117 1.00 0.00 H new ATOM 0 HB ILE A 55 40.687 -27.188 -23.291 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.236 -27.469 -25.916 1.00 0.00 H new ATOM 0 HG13 ILE A 55 39.971 -28.749 -24.971 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.673 -25.685 -23.535 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.197 -24.766 -23.564 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.331 -25.103 -25.082 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.530 -28.720 -24.658 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.357 -28.335 -23.130 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.611 -27.035 -24.090 1.00 0.00 H new ATOM 859 N MET A 56 42.600 -25.418 -23.165 1.00 0.00 N ATOM 860 CA MET A 56 43.005 -24.261 -22.369 1.00 0.00 C ATOM 861 C MET A 56 44.227 -23.506 -22.915 1.00 0.00 C ATOM 862 O MET A 56 44.400 -22.306 -22.703 1.00 0.00 O ATOM 863 CB MET A 56 43.163 -24.716 -20.913 1.00 0.00 C ATOM 864 CG MET A 56 41.846 -25.327 -20.393 1.00 0.00 C ATOM 865 SD MET A 56 42.070 -27.065 -19.924 1.00 0.00 S ATOM 866 CE MET A 56 40.347 -27.660 -19.882 1.00 0.00 C ATOM 0 H MET A 56 42.604 -26.307 -22.665 1.00 0.00 H new ATOM 0 HA MET A 56 42.220 -23.507 -22.432 1.00 0.00 H new ATOM 0 HB2 MET A 56 43.965 -25.450 -20.840 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.449 -23.869 -20.290 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.493 -24.758 -19.533 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.078 -25.251 -21.163 1.00 0.00 H new ATOM 0 HE1 MET A 56 40.333 -28.715 -19.607 1.00 0.00 H new ATOM 0 HE2 MET A 56 39.782 -27.086 -19.148 1.00 0.00 H new ATOM 0 HE3 MET A 56 39.895 -27.535 -20.866 1.00 0.00 H new ATOM 876 N LYS A 57 45.064 -24.227 -23.643 1.00 0.00 N ATOM 877 CA LYS A 57 46.233 -23.590 -24.267 1.00 0.00 C ATOM 878 C LYS A 57 46.007 -23.155 -25.734 1.00 0.00 C ATOM 879 O LYS A 57 46.532 -22.135 -26.183 1.00 0.00 O ATOM 880 CB LYS A 57 47.480 -24.479 -24.164 1.00 0.00 C ATOM 881 CG LYS A 57 47.942 -24.625 -22.708 1.00 0.00 C ATOM 882 CD LYS A 57 48.781 -25.891 -22.523 1.00 0.00 C ATOM 883 CE LYS A 57 49.203 -26.046 -21.061 1.00 0.00 C ATOM 884 NZ LYS A 57 49.919 -27.321 -20.878 1.00 0.00 N ATOM 0 H LYS A 57 44.969 -25.227 -23.819 1.00 0.00 H new ATOM 0 HA LYS A 57 46.394 -22.676 -23.696 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.263 -25.463 -24.579 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.285 -24.051 -24.762 1.00 0.00 H new ATOM 0 HG2 LYS A 57 48.527 -23.752 -22.419 1.00 0.00 H new ATOM 0 HG3 LYS A 57 47.074 -24.660 -22.049 1.00 0.00 H new ATOM 0 HD2 LYS A 57 48.207 -26.763 -22.836 1.00 0.00 H new ATOM 0 HD3 LYS A 57 49.665 -25.845 -23.160 1.00 0.00 H new ATOM 0 HE2 LYS A 57 49.843 -25.214 -20.768 1.00 0.00 H new ATOM 0 HE3 LYS A 57 48.326 -26.016 -20.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 49.410 -27.909 -20.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 49.973 -27.823 -21.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 50.881 -27.132 -20.530 1.00 0.00 H new ATOM 898 N GLU A 58 45.242 -23.940 -26.493 1.00 0.00 N ATOM 899 CA GLU A 58 45.044 -23.626 -27.922 1.00 0.00 C ATOM 900 C GLU A 58 44.076 -22.462 -28.193 1.00 0.00 C ATOM 901 O GLU A 58 44.204 -21.763 -29.200 1.00 0.00 O ATOM 902 CB GLU A 58 44.679 -24.871 -28.759 1.00 0.00 C ATOM 903 CG GLU A 58 43.173 -25.185 -28.742 1.00 0.00 C ATOM 904 CD GLU A 58 42.860 -26.496 -29.453 1.00 0.00 C ATOM 905 OE1 GLU A 58 42.984 -27.568 -28.823 1.00 0.00 O ATOM 906 OE2 GLU A 58 42.463 -26.460 -30.640 1.00 0.00 O ATOM 0 H GLU A 58 44.759 -24.775 -26.162 1.00 0.00 H new ATOM 0 HA GLU A 58 46.021 -23.276 -28.255 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.001 -24.717 -29.789 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.229 -25.732 -28.379 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.825 -25.239 -27.711 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.627 -24.372 -29.221 1.00 0.00 H new ATOM 913 N ALA A 59 43.081 -22.271 -27.320 1.00 0.00 N ATOM 914 CA ALA A 59 42.170 -21.127 -27.492 1.00 0.00 C ATOM 915 C ALA A 59 42.895 -19.832 -27.886 1.00 0.00 C ATOM 916 O ALA A 59 42.614 -19.228 -28.920 1.00 0.00 O ATOM 917 CB ALA A 59 41.300 -20.933 -26.249 1.00 0.00 C ATOM 0 H ALA A 59 42.887 -22.867 -26.515 1.00 0.00 H new ATOM 0 HA ALA A 59 41.518 -21.368 -28.332 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.635 -20.082 -26.399 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.707 -21.831 -26.076 1.00 0.00 H new ATOM 0 HB3 ALA A 59 41.937 -20.747 -25.384 1.00 0.00 H new ATOM 923 N ARG A 60 43.849 -19.417 -27.062 1.00 0.00 N ATOM 924 CA ARG A 60 44.754 -18.357 -27.503 1.00 0.00 C ATOM 925 C ARG A 60 46.187 -18.854 -27.491 1.00 0.00 C ATOM 926 O ARG A 60 46.846 -18.896 -26.450 1.00 0.00 O ATOM 927 CB ARG A 60 44.631 -17.088 -26.667 1.00 0.00 C ATOM 928 CG ARG A 60 45.755 -16.057 -26.905 1.00 0.00 C ATOM 929 CD ARG A 60 45.830 -15.039 -25.764 1.00 0.00 C ATOM 930 NE ARG A 60 44.771 -14.032 -25.917 1.00 0.00 N ATOM 931 CZ ARG A 60 44.950 -12.823 -25.402 1.00 0.00 C ATOM 932 NH1 ARG A 60 45.626 -12.661 -24.280 1.00 0.00 N ATOM 933 NH2 ARG A 60 44.429 -11.776 -26.006 1.00 0.00 N ATOM 0 H ARG A 60 44.015 -19.778 -26.123 1.00 0.00 H new ATOM 0 HA ARG A 60 44.463 -18.096 -28.521 1.00 0.00 H new ATOM 0 HB2 ARG A 60 43.671 -16.618 -26.882 1.00 0.00 H new ATOM 0 HB3 ARG A 60 44.623 -17.362 -25.612 1.00 0.00 H new ATOM 0 HG2 ARG A 60 46.711 -16.573 -26.998 1.00 0.00 H new ATOM 0 HG3 ARG A 60 45.581 -15.538 -27.847 1.00 0.00 H new ATOM 0 HD2 ARG A 60 45.724 -15.547 -24.805 1.00 0.00 H new ATOM 0 HD3 ARG A 60 46.806 -14.554 -25.762 1.00 0.00 H new ATOM 0 HE ARG A 60 43.909 -14.260 -26.413 1.00 0.00 H new ATOM 0 HH11 ARG A 60 46.018 -13.471 -23.799 1.00 0.00 H new ATOM 0 HH12 ARG A 60 45.757 -11.726 -23.894 1.00 0.00 H new ATOM 0 HH21 ARG A 60 43.892 -11.897 -26.864 1.00 0.00 H new ATOM 0 HH22 ARG A 60 44.563 -10.843 -25.616 1.00 0.00 H new ATOM 1031 N LYS A 67 45.726 -13.632 -30.534 1.00 0.00 N ATOM 1032 CA LYS A 67 44.864 -14.817 -30.511 1.00 0.00 C ATOM 1033 C LYS A 67 43.728 -14.753 -29.491 1.00 0.00 C ATOM 1034 O LYS A 67 43.831 -14.178 -28.407 1.00 0.00 O ATOM 1035 CB LYS A 67 45.694 -16.113 -30.452 1.00 0.00 C ATOM 1036 CG LYS A 67 45.434 -17.037 -31.653 1.00 0.00 C ATOM 1037 CD LYS A 67 44.072 -17.734 -31.541 1.00 0.00 C ATOM 1038 CE LYS A 67 44.108 -19.133 -32.162 1.00 0.00 C ATOM 1039 NZ LYS A 67 43.013 -19.952 -31.611 1.00 0.00 N ATOM 0 HA LYS A 67 44.334 -14.829 -31.464 1.00 0.00 H new ATOM 0 HB2 LYS A 67 46.754 -15.860 -30.416 1.00 0.00 H new ATOM 0 HB3 LYS A 67 45.462 -16.647 -29.531 1.00 0.00 H new ATOM 0 HG2 LYS A 67 45.472 -16.457 -32.575 1.00 0.00 H new ATOM 0 HG3 LYS A 67 46.223 -17.786 -31.715 1.00 0.00 H new ATOM 0 HD2 LYS A 67 43.784 -17.807 -30.492 1.00 0.00 H new ATOM 0 HD3 LYS A 67 43.312 -17.133 -32.039 1.00 0.00 H new ATOM 0 HE2 LYS A 67 44.012 -19.063 -33.245 1.00 0.00 H new ATOM 0 HE3 LYS A 67 45.068 -19.607 -31.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 43.176 -20.952 -31.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 42.981 -19.839 -30.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 42.108 -19.644 -32.021 1.00 0.00 H new ATOM 1053 N ASN A 68 42.601 -15.305 -29.903 1.00 0.00 N ATOM 1054 CA ASN A 68 41.397 -15.250 -29.072 1.00 0.00 C ATOM 1055 C ASN A 68 40.374 -16.207 -29.659 1.00 0.00 C ATOM 1056 O ASN A 68 40.534 -16.719 -30.769 1.00 0.00 O ATOM 1057 CB ASN A 68 40.757 -13.855 -28.933 1.00 0.00 C ATOM 1058 CG ASN A 68 41.270 -12.852 -29.978 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.222 -13.104 -31.181 1.00 0.00 O ATOM 1060 ND2 ASN A 68 41.772 -11.710 -29.546 1.00 0.00 N ATOM 0 H ASN A 68 42.487 -15.791 -30.793 1.00 0.00 H new ATOM 0 HA ASN A 68 41.708 -15.527 -28.065 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.675 -13.947 -29.026 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.959 -13.467 -27.935 1.00 0.00 H new ATOM 0 HD21 ASN A 68 42.126 -11.024 -30.213 1.00 0.00 H new ATOM 0 HD22 ASN A 68 41.806 -11.514 -28.546 1.00 0.00 H new ATOM 1067 N ILE A 69 39.301 -16.444 -28.931 1.00 0.00 N ATOM 1068 CA ILE A 69 38.242 -17.272 -29.506 1.00 0.00 C ATOM 1069 C ILE A 69 36.973 -16.483 -29.801 1.00 0.00 C ATOM 1070 O ILE A 69 36.214 -16.062 -28.927 1.00 0.00 O ATOM 1071 CB ILE A 69 37.982 -18.595 -28.808 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.319 -18.409 -27.432 1.00 0.00 C ATOM 1073 CG2 ILE A 69 39.304 -19.361 -28.670 1.00 0.00 C ATOM 1074 CD1 ILE A 69 37.339 -19.694 -26.607 1.00 0.00 C ATOM 0 H ILE A 69 39.135 -16.098 -27.986 1.00 0.00 H new ATOM 0 HA ILE A 69 38.651 -17.583 -30.468 1.00 0.00 H new ATOM 0 HB ILE A 69 37.283 -19.168 -29.417 1.00 0.00 H new ATOM 0 HG12 ILE A 69 37.835 -17.619 -26.885 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.288 -18.082 -27.568 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.123 -20.312 -28.169 1.00 0.00 H new ATOM 0 HG22 ILE A 69 39.722 -19.546 -29.659 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.007 -18.770 -28.083 1.00 0.00 H new ATOM 0 HD11 ILE A 69 36.861 -19.516 -25.644 1.00 0.00 H new ATOM 0 HD12 ILE A 69 36.800 -20.477 -27.140 1.00 0.00 H new ATOM 0 HD13 ILE A 69 38.371 -20.008 -26.447 1.00 0.00 H new ATOM 1086 N GLY A 70 36.772 -16.304 -31.085 1.00 0.00 N ATOM 1087 CA GLY A 70 35.654 -15.472 -31.548 1.00 0.00 C ATOM 1088 C GLY A 70 34.415 -16.295 -31.917 1.00 0.00 C ATOM 1089 O GLY A 70 34.228 -17.408 -31.425 1.00 0.00 O ATOM 0 H GLY A 70 37.347 -16.708 -31.825 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.391 -14.758 -30.768 1.00 0.00 H new ATOM 0 HA3 GLY A 70 35.972 -14.894 -32.415 1.00 0.00 H new ATOM 1093 N PRO A 71 33.509 -15.695 -32.715 1.00 0.00 N ATOM 1094 CA PRO A 71 32.223 -16.339 -33.045 1.00 0.00 C ATOM 1095 C PRO A 71 32.232 -17.876 -33.078 1.00 0.00 C ATOM 1096 O PRO A 71 31.476 -18.532 -32.361 1.00 0.00 O ATOM 1097 CB PRO A 71 31.834 -15.755 -34.411 1.00 0.00 C ATOM 1098 CG PRO A 71 32.863 -14.680 -34.772 1.00 0.00 C ATOM 1099 CD PRO A 71 33.939 -14.692 -33.690 1.00 0.00 C ATOM 0 HA PRO A 71 31.504 -16.128 -32.253 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.817 -16.537 -35.170 1.00 0.00 H new ATOM 0 HB3 PRO A 71 30.832 -15.327 -34.372 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.301 -14.881 -35.750 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.389 -13.700 -34.830 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.913 -14.946 -34.109 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.038 -13.711 -33.225 1.00 0.00 H new ATOM 1107 N GLU A 72 33.081 -18.454 -33.914 1.00 0.00 N ATOM 1108 CA GLU A 72 33.001 -19.907 -34.122 1.00 0.00 C ATOM 1109 C GLU A 72 34.028 -20.770 -33.366 1.00 0.00 C ATOM 1110 O GLU A 72 33.743 -21.926 -33.049 1.00 0.00 O ATOM 1111 CB GLU A 72 32.909 -20.276 -35.605 1.00 0.00 C ATOM 1112 CG GLU A 72 34.217 -20.004 -36.358 1.00 0.00 C ATOM 1113 CD GLU A 72 34.044 -20.241 -37.850 1.00 0.00 C ATOM 1114 OE1 GLU A 72 34.235 -21.391 -38.302 1.00 0.00 O ATOM 1115 OE2 GLU A 72 33.719 -19.279 -38.578 1.00 0.00 O ATOM 0 H GLU A 72 33.807 -17.972 -34.443 1.00 0.00 H new ATOM 0 HA GLU A 72 32.059 -20.173 -33.643 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.652 -21.331 -35.699 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.102 -19.709 -36.068 1.00 0.00 H new ATOM 0 HG2 GLU A 72 34.535 -18.976 -36.184 1.00 0.00 H new ATOM 0 HG3 GLU A 72 35.005 -20.651 -35.972 1.00 0.00 H new ATOM 1122 N GLU A 73 35.226 -20.247 -33.083 1.00 0.00 N ATOM 1123 CA GLU A 73 36.237 -21.083 -32.420 1.00 0.00 C ATOM 1124 C GLU A 73 35.766 -21.725 -31.112 1.00 0.00 C ATOM 1125 O GLU A 73 36.102 -22.866 -30.821 1.00 0.00 O ATOM 1126 CB GLU A 73 37.572 -20.344 -32.228 1.00 0.00 C ATOM 1127 CG GLU A 73 38.603 -21.174 -31.433 1.00 0.00 C ATOM 1128 CD GLU A 73 40.026 -20.870 -31.882 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.366 -19.679 -32.056 1.00 0.00 O ATOM 1130 OE2 GLU A 73 40.818 -21.822 -32.051 1.00 0.00 O ATOM 0 H GLU A 73 35.514 -19.291 -33.291 1.00 0.00 H new ATOM 0 HA GLU A 73 36.404 -21.909 -33.112 1.00 0.00 H new ATOM 0 HB2 GLU A 73 37.988 -20.094 -33.204 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.390 -19.403 -31.708 1.00 0.00 H new ATOM 0 HG2 GLU A 73 38.502 -20.960 -30.369 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.397 -22.236 -31.565 1.00 0.00 H new ATOM 1137 N TRP A 74 34.958 -21.027 -30.331 1.00 0.00 N ATOM 1138 CA TRP A 74 34.551 -21.599 -29.041 1.00 0.00 C ATOM 1139 C TRP A 74 33.632 -22.829 -29.159 1.00 0.00 C ATOM 1140 O TRP A 74 33.811 -23.812 -28.437 1.00 0.00 O ATOM 1141 CB TRP A 74 34.032 -20.483 -28.123 1.00 0.00 C ATOM 1142 CG TRP A 74 33.572 -20.920 -26.733 1.00 0.00 C ATOM 1143 CD1 TRP A 74 32.340 -20.408 -26.347 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.418 -20.727 -25.659 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.437 -19.698 -25.145 1.00 0.00 N ATOM 1146 CE2 TRP A 74 33.730 -19.976 -24.699 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.291 -21.700 -25.248 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 33.972 -20.202 -23.374 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.559 -21.840 -23.921 1.00 0.00 C ATOM 1150 CH2 TRP A 74 34.793 -21.214 -22.996 1.00 0.00 C ATOM 0 H TRP A 74 34.580 -20.104 -30.545 1.00 0.00 H new ATOM 0 HA TRP A 74 35.433 -22.025 -28.562 1.00 0.00 H new ATOM 0 HB2 TRP A 74 34.820 -19.740 -28.006 1.00 0.00 H new ATOM 0 HB3 TRP A 74 33.198 -19.988 -28.621 1.00 0.00 H new ATOM 0 HD1 TRP A 74 31.424 -20.541 -26.903 1.00 0.00 H new ATOM 0 HE1 TRP A 74 31.729 -19.114 -24.699 1.00 0.00 H new ATOM 0 HE3 TRP A 74 35.762 -22.350 -25.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 33.509 -19.575 -22.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.388 -22.455 -23.603 1.00 0.00 H new ATOM 0 HH2 TRP A 74 34.836 -21.519 -21.961 1.00 0.00 H new ATOM 1161 N LEU A 75 32.678 -22.827 -30.093 1.00 0.00 N ATOM 1162 CA LEU A 75 31.877 -24.054 -30.278 1.00 0.00 C ATOM 1163 C LEU A 75 32.540 -25.097 -31.191 1.00 0.00 C ATOM 1164 O LEU A 75 32.274 -26.287 -31.054 1.00 0.00 O ATOM 1165 CB LEU A 75 30.421 -23.856 -30.709 1.00 0.00 C ATOM 1166 CG LEU A 75 29.430 -24.528 -29.731 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.056 -24.507 -30.337 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.693 -26.023 -29.465 1.00 0.00 C ATOM 0 H LEU A 75 32.444 -22.044 -30.703 1.00 0.00 H new ATOM 0 HA LEU A 75 31.846 -24.436 -29.258 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.203 -22.790 -30.770 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.280 -24.268 -31.708 1.00 0.00 H new ATOM 0 HG LEU A 75 29.541 -23.967 -28.803 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.350 -24.979 -29.654 1.00 0.00 H new ATOM 0 HD12 LEU A 75 27.753 -23.475 -30.516 1.00 0.00 H new ATOM 0 HD13 LEU A 75 28.066 -25.051 -31.281 1.00 0.00 H new ATOM 0 HD21 LEU A 75 28.947 -26.405 -28.768 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.630 -26.576 -30.402 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.688 -26.147 -29.036 1.00 0.00 H new ATOM 1180 N THR A 76 33.357 -24.693 -32.166 1.00 0.00 N ATOM 1181 CA THR A 76 34.116 -25.716 -32.909 1.00 0.00 C ATOM 1182 C THR A 76 35.200 -26.341 -32.024 1.00 0.00 C ATOM 1183 O THR A 76 35.437 -27.548 -32.051 1.00 0.00 O ATOM 1184 CB THR A 76 34.689 -25.264 -34.254 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.635 -24.804 -35.088 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.723 -24.154 -34.097 1.00 0.00 C ATOM 0 H THR A 76 33.510 -23.726 -32.452 1.00 0.00 H new ATOM 0 HA THR A 76 33.377 -26.473 -33.173 1.00 0.00 H new ATOM 0 HB THR A 76 35.187 -26.123 -34.703 1.00 0.00 H new ATOM 0 HG1 THR A 76 34.002 -24.513 -35.949 1.00 0.00 H new ATOM 0 HG21 THR A 76 36.101 -23.867 -35.078 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.260 -23.290 -33.620 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.548 -24.510 -33.481 1.00 0.00 H new ATOM 1194 N LEU A 77 35.878 -25.498 -31.248 1.00 0.00 N ATOM 1195 CA LEU A 77 36.739 -26.011 -30.179 1.00 0.00 C ATOM 1196 C LEU A 77 36.007 -27.027 -29.305 1.00 0.00 C ATOM 1197 O LEU A 77 36.416 -28.176 -29.176 1.00 0.00 O ATOM 1198 CB LEU A 77 37.286 -24.832 -29.350 1.00 0.00 C ATOM 1199 CG LEU A 77 38.273 -25.179 -28.228 1.00 0.00 C ATOM 1200 CD1 LEU A 77 37.682 -26.054 -27.136 1.00 0.00 C ATOM 1201 CD2 LEU A 77 39.625 -25.606 -28.760 1.00 0.00 C ATOM 0 H LEU A 77 35.852 -24.482 -31.333 1.00 0.00 H new ATOM 0 HA LEU A 77 37.579 -26.541 -30.628 1.00 0.00 H new ATOM 0 HB2 LEU A 77 37.776 -24.135 -30.031 1.00 0.00 H new ATOM 0 HB3 LEU A 77 36.440 -24.305 -28.908 1.00 0.00 H new ATOM 0 HG LEU A 77 38.478 -24.251 -27.694 1.00 0.00 H new ATOM 0 HD11 LEU A 77 38.441 -26.255 -26.380 1.00 0.00 H new ATOM 0 HD12 LEU A 77 36.838 -25.541 -26.675 1.00 0.00 H new ATOM 0 HD13 LEU A 77 37.342 -26.995 -27.568 1.00 0.00 H new ATOM 0 HD21 LEU A 77 40.287 -25.840 -27.926 1.00 0.00 H new ATOM 0 HD22 LEU A 77 39.506 -26.489 -29.388 1.00 0.00 H new ATOM 0 HD23 LEU A 77 40.056 -24.797 -29.349 1.00 0.00 H new ATOM 1213 N CYS A 78 34.871 -26.611 -28.765 1.00 0.00 N ATOM 1214 CA CYS A 78 34.109 -27.509 -27.893 1.00 0.00 C ATOM 1215 C CYS A 78 33.492 -28.711 -28.625 1.00 0.00 C ATOM 1216 O CYS A 78 33.367 -29.799 -28.063 1.00 0.00 O ATOM 1217 CB CYS A 78 33.050 -26.760 -27.083 1.00 0.00 C ATOM 1218 SG CYS A 78 33.871 -25.696 -25.853 1.00 0.00 S ATOM 0 H CYS A 78 34.461 -25.687 -28.905 1.00 0.00 H new ATOM 0 HA CYS A 78 34.844 -27.919 -27.200 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.429 -26.157 -27.745 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.389 -27.469 -26.584 1.00 0.00 H new ATOM 0 HG CYS A 78 34.164 -24.551 -26.396 1.00 0.00 H new ATOM 1224 N SER A 79 33.109 -28.529 -29.887 1.00 0.00 N ATOM 1225 CA SER A 79 32.579 -29.665 -30.654 1.00 0.00 C ATOM 1226 C SER A 79 33.661 -30.703 -30.972 1.00 0.00 C ATOM 1227 O SER A 79 33.484 -31.902 -30.745 1.00 0.00 O ATOM 1228 CB SER A 79 31.850 -29.227 -31.928 1.00 0.00 C ATOM 1229 OG SER A 79 31.225 -30.348 -32.541 1.00 0.00 O ATOM 0 H SER A 79 33.151 -27.642 -30.390 1.00 0.00 H new ATOM 0 HA SER A 79 31.842 -30.142 -30.008 1.00 0.00 H new ATOM 0 HB2 SER A 79 31.103 -28.470 -31.688 1.00 0.00 H new ATOM 0 HB3 SER A 79 32.556 -28.769 -32.621 1.00 0.00 H new ATOM 0 HG SER A 79 30.760 -30.059 -33.354 1.00 0.00 H new ATOM 1235 N LYS A 80 34.795 -30.251 -31.505 1.00 0.00 N ATOM 1236 CA LYS A 80 35.909 -31.192 -31.701 1.00 0.00 C ATOM 1237 C LYS A 80 36.489 -31.725 -30.375 1.00 0.00 C ATOM 1238 O LYS A 80 37.005 -32.839 -30.303 1.00 0.00 O ATOM 1239 CB LYS A 80 37.004 -30.641 -32.626 1.00 0.00 C ATOM 1240 CG LYS A 80 37.950 -29.687 -31.888 1.00 0.00 C ATOM 1241 CD LYS A 80 38.474 -28.601 -32.823 1.00 0.00 C ATOM 1242 CE LYS A 80 39.388 -27.642 -32.057 1.00 0.00 C ATOM 1243 NZ LYS A 80 40.809 -27.929 -32.331 1.00 0.00 N ATOM 0 H LYS A 80 34.969 -29.290 -31.798 1.00 0.00 H new ATOM 0 HA LYS A 80 35.473 -32.049 -32.214 1.00 0.00 H new ATOM 0 HB2 LYS A 80 37.577 -31.469 -33.044 1.00 0.00 H new ATOM 0 HB3 LYS A 80 36.542 -30.118 -33.464 1.00 0.00 H new ATOM 0 HG2 LYS A 80 37.427 -29.228 -31.049 1.00 0.00 H new ATOM 0 HG3 LYS A 80 38.787 -30.249 -31.473 1.00 0.00 H new ATOM 0 HD2 LYS A 80 39.021 -29.055 -33.649 1.00 0.00 H new ATOM 0 HD3 LYS A 80 37.639 -28.051 -33.257 1.00 0.00 H new ATOM 0 HE2 LYS A 80 39.160 -26.614 -32.340 1.00 0.00 H new ATOM 0 HE3 LYS A 80 39.196 -27.728 -30.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 41.406 -27.253 -31.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 41.033 -28.897 -32.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 40.991 -27.839 -33.351 1.00 0.00 H new ATOM 1257 N TRP A 81 36.402 -30.919 -29.318 1.00 0.00 N ATOM 1258 CA TRP A 81 36.855 -31.388 -28.004 1.00 0.00 C ATOM 1259 C TRP A 81 35.968 -32.477 -27.411 1.00 0.00 C ATOM 1260 O TRP A 81 36.443 -33.492 -26.900 1.00 0.00 O ATOM 1261 CB TRP A 81 36.987 -30.202 -27.025 1.00 0.00 C ATOM 1262 CG TRP A 81 38.424 -29.738 -26.956 1.00 0.00 C ATOM 1263 CD1 TRP A 81 39.054 -29.182 -28.073 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.323 -30.580 -26.365 1.00 0.00 C ATOM 1265 NE1 TRP A 81 40.349 -29.736 -28.228 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.444 -30.663 -27.176 1.00 0.00 C ATOM 1267 CE3 TRP A 81 38.924 -31.655 -25.623 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.017 -31.888 -27.362 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 39.592 -32.817 -25.721 1.00 0.00 C ATOM 1270 CH2 TRP A 81 40.595 -32.948 -26.614 1.00 0.00 C ATOM 0 H TRP A 81 36.035 -29.968 -29.338 1.00 0.00 H new ATOM 0 HA TRP A 81 37.834 -31.842 -28.159 1.00 0.00 H new ATOM 0 HB2 TRP A 81 36.347 -29.381 -27.349 1.00 0.00 H new ATOM 0 HB3 TRP A 81 36.646 -30.500 -26.034 1.00 0.00 H new ATOM 0 HD1 TRP A 81 38.617 -28.438 -28.723 1.00 0.00 H new ATOM 0 HE1 TRP A 81 41.048 -29.514 -28.937 1.00 0.00 H new ATOM 0 HE3 TRP A 81 38.075 -31.572 -24.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 41.799 -32.017 -28.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.326 -33.647 -25.084 1.00 0.00 H new ATOM 0 HH2 TRP A 81 41.072 -33.909 -26.739 1.00 0.00 H new ATOM 1281 N VAL A 82 34.668 -32.253 -27.464 1.00 0.00 N ATOM 1282 CA VAL A 82 33.740 -33.283 -26.967 1.00 0.00 C ATOM 1283 C VAL A 82 33.757 -34.570 -27.814 1.00 0.00 C ATOM 1284 O VAL A 82 33.620 -35.676 -27.291 1.00 0.00 O ATOM 1285 CB VAL A 82 32.320 -32.739 -26.721 1.00 0.00 C ATOM 1286 CG1 VAL A 82 31.580 -32.491 -28.038 1.00 0.00 C ATOM 1287 CG2 VAL A 82 31.514 -33.707 -25.848 1.00 0.00 C ATOM 0 H VAL A 82 34.232 -31.406 -27.829 1.00 0.00 H new ATOM 0 HA VAL A 82 34.118 -33.576 -25.987 1.00 0.00 H new ATOM 0 HB VAL A 82 32.421 -31.787 -26.200 1.00 0.00 H new ATOM 0 HG11 VAL A 82 30.582 -32.108 -27.828 1.00 0.00 H new ATOM 0 HG12 VAL A 82 32.131 -31.762 -28.633 1.00 0.00 H new ATOM 0 HG13 VAL A 82 31.500 -33.426 -28.592 1.00 0.00 H new ATOM 0 HG21 VAL A 82 30.514 -33.304 -25.686 1.00 0.00 H new ATOM 0 HG22 VAL A 82 31.440 -34.673 -26.348 1.00 0.00 H new ATOM 0 HG23 VAL A 82 32.014 -33.834 -24.888 1.00 0.00 H new