USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 545 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 16 MET CE :methyl -114:sc= -0.817 (180deg=-2.92!) USER MOD Set 1.2: A 30 GLN : amide:sc= -0.46 K(o=-2.8,f=-6.4!) USER MOD Set 1.3: A 73 ASN : amide:sc= -1.51 K(o=-2.8,f=-6.1) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 15 HIS : no HD1:sc= -0.082 X(o=-0.082,f=-0.0044) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= -0.272 (180deg=-1.68!) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.0598 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 27 CYS SG : rot 160:sc= -0.44 USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= -0.163 (180deg=-0.652) USER MOD Single : A 32 ASN : amide:sc= -0.267 K(o=-0.27,f=-3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.004) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00348) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= -0.562 (180deg=-0.622) USER MOD Single : A 53 TYR OH : rot -145:sc= -0.683 USER MOD Single : A 55 HIS : no HE2:sc= -0.74 K(o=-0.74,f=-3!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.034) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -3.14! C(o=-3.1!,f=-2.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N VAL A 10 3.840 -21.529 -25.265 1.00 0.00 N ATOM 198 CA VAL A 10 3.376 -20.174 -24.991 1.00 0.00 C ATOM 199 C VAL A 10 4.110 -19.573 -23.798 1.00 0.00 C ATOM 200 O VAL A 10 4.631 -20.281 -22.936 1.00 0.00 O ATOM 201 CB VAL A 10 1.861 -20.146 -24.714 1.00 0.00 C ATOM 202 CG1 VAL A 10 1.078 -20.250 -26.014 1.00 0.00 C ATOM 203 CG2 VAL A 10 1.473 -21.264 -23.758 1.00 0.00 C ATOM 0 HA VAL A 10 3.587 -19.581 -25.881 1.00 0.00 H new ATOM 0 HB VAL A 10 1.613 -19.194 -24.244 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.010 -20.229 -25.798 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.334 -19.411 -26.661 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.328 -21.185 -26.516 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.399 -21.229 -23.574 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.734 -22.226 -24.198 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.007 -21.139 -22.816 1.00 0.00 H new ATOM 213 N PRO A 11 4.154 -18.233 -23.745 1.00 0.00 N ATOM 214 CA PRO A 11 4.822 -17.506 -22.661 1.00 0.00 C ATOM 215 C PRO A 11 4.080 -17.632 -21.335 1.00 0.00 C ATOM 216 O PRO A 11 2.924 -17.225 -21.219 1.00 0.00 O ATOM 217 CB PRO A 11 4.807 -16.054 -23.147 1.00 0.00 C ATOM 218 CG PRO A 11 3.646 -15.978 -24.077 1.00 0.00 C ATOM 219 CD PRO A 11 3.556 -17.326 -24.738 1.00 0.00 C ATOM 0 HA PRO A 11 5.821 -17.894 -22.465 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.694 -15.359 -22.315 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.737 -15.796 -23.653 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.728 -15.746 -23.537 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.789 -15.190 -24.816 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.524 -17.597 -24.959 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.101 -17.348 -25.682 1.00 0.00 H new ATOM 227 N ARG A 12 4.752 -18.197 -20.337 1.00 0.00 N ATOM 228 CA ARG A 12 4.156 -18.376 -19.019 1.00 0.00 C ATOM 229 C ARG A 12 4.597 -17.269 -18.067 1.00 0.00 C ATOM 230 O ARG A 12 5.736 -17.254 -17.601 1.00 0.00 O ATOM 231 CB ARG A 12 4.539 -19.741 -18.444 1.00 0.00 C ATOM 232 CG ARG A 12 3.914 -20.912 -19.185 1.00 0.00 C ATOM 233 CD ARG A 12 4.257 -22.237 -18.523 1.00 0.00 C ATOM 234 NE ARG A 12 3.777 -22.301 -17.145 1.00 0.00 N ATOM 235 CZ ARG A 12 3.721 -23.424 -16.438 1.00 0.00 C ATOM 236 NH1 ARG A 12 4.112 -24.571 -16.977 1.00 0.00 N ATOM 237 NH2 ARG A 12 3.272 -23.402 -15.190 1.00 0.00 N ATOM 0 H ARG A 12 5.710 -18.539 -20.417 1.00 0.00 H new ATOM 0 HA ARG A 12 3.073 -18.326 -19.128 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.624 -19.844 -18.468 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.238 -19.782 -17.397 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.831 -20.789 -19.215 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.263 -20.919 -20.218 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.819 -23.053 -19.098 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.337 -22.381 -18.538 1.00 0.00 H new ATOM 0 HE ARG A 12 3.468 -21.436 -16.701 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.457 -24.592 -17.937 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.068 -25.432 -16.432 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.969 -22.522 -14.772 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.229 -24.265 -14.648 1.00 0.00 H new ATOM 251 N GLY A 13 3.687 -16.342 -17.783 1.00 0.00 N ATOM 252 CA GLY A 13 4.002 -15.243 -16.889 1.00 0.00 C ATOM 253 C GLY A 13 2.854 -14.263 -16.749 1.00 0.00 C ATOM 254 O GLY A 13 1.870 -14.543 -16.065 1.00 0.00 O ATOM 0 H GLY A 13 2.738 -16.333 -18.156 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.259 -15.640 -15.907 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.882 -14.717 -17.260 1.00 0.00 H new ATOM 258 N SER A 14 2.981 -13.109 -17.396 1.00 0.00 N ATOM 259 CA SER A 14 1.949 -12.081 -17.336 1.00 0.00 C ATOM 260 C SER A 14 0.643 -12.586 -17.943 1.00 0.00 C ATOM 261 O SER A 14 0.632 -13.560 -18.697 1.00 0.00 O ATOM 262 CB SER A 14 2.411 -10.820 -18.069 1.00 0.00 C ATOM 263 OG SER A 14 3.273 -11.144 -19.147 1.00 0.00 O ATOM 0 H SER A 14 3.789 -12.863 -17.968 1.00 0.00 H new ATOM 0 HA SER A 14 1.773 -11.839 -16.288 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.544 -10.275 -18.443 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.927 -10.159 -17.373 1.00 0.00 H new ATOM 0 HG SER A 14 3.553 -10.322 -19.600 1.00 0.00 H new ATOM 269 N HIS A 15 -0.455 -11.917 -17.608 1.00 0.00 N ATOM 270 CA HIS A 15 -1.767 -12.297 -18.120 1.00 0.00 C ATOM 271 C HIS A 15 -2.332 -11.209 -19.029 1.00 0.00 C ATOM 272 O HIS A 15 -3.119 -10.369 -18.593 1.00 0.00 O ATOM 273 CB HIS A 15 -2.732 -12.562 -16.964 1.00 0.00 C ATOM 274 CG HIS A 15 -3.910 -13.404 -17.348 1.00 0.00 C ATOM 275 ND1 HIS A 15 -5.184 -13.178 -16.872 1.00 0.00 N ATOM 276 CD2 HIS A 15 -4.001 -14.476 -18.169 1.00 0.00 C ATOM 277 CE1 HIS A 15 -6.008 -14.075 -17.382 1.00 0.00 C ATOM 278 NE2 HIS A 15 -5.316 -14.875 -18.173 1.00 0.00 N ATOM 0 H HIS A 15 -0.463 -11.110 -16.985 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.651 -13.210 -18.704 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.191 -13.055 -16.156 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.089 -11.609 -16.574 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.191 -14.933 -18.719 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.068 -14.143 -17.186 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.696 -15.661 -18.701 1.00 0.00 H new ATOM 286 N MET A 16 -1.923 -11.230 -20.294 1.00 0.00 N ATOM 287 CA MET A 16 -2.388 -10.246 -21.263 1.00 0.00 C ATOM 288 C MET A 16 -3.448 -10.846 -22.181 1.00 0.00 C ATOM 289 O MET A 16 -3.547 -12.065 -22.317 1.00 0.00 O ATOM 290 CB MET A 16 -1.215 -9.722 -22.094 1.00 0.00 C ATOM 291 CG MET A 16 -0.007 -9.330 -21.259 1.00 0.00 C ATOM 292 SD MET A 16 -0.395 -8.079 -20.020 1.00 0.00 S ATOM 293 CE MET A 16 0.909 -6.888 -20.321 1.00 0.00 C ATOM 0 H MET A 16 -1.271 -11.918 -20.671 1.00 0.00 H new ATOM 0 HA MET A 16 -2.834 -9.416 -20.715 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.918 -10.487 -22.811 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.545 -8.857 -22.669 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.390 -10.216 -20.763 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.777 -8.954 -21.916 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.572 -6.848 -19.457 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.478 -7.186 -21.201 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.471 -5.904 -20.488 1.00 0.00 H new ATOM 303 N SER A 17 -4.239 -9.981 -22.809 1.00 0.00 N ATOM 304 CA SER A 17 -5.295 -10.427 -23.711 1.00 0.00 C ATOM 305 C SER A 17 -5.378 -9.525 -24.938 1.00 0.00 C ATOM 306 O SER A 17 -5.231 -8.306 -24.839 1.00 0.00 O ATOM 307 CB SER A 17 -6.642 -10.444 -22.985 1.00 0.00 C ATOM 308 OG SER A 17 -6.579 -11.237 -21.812 1.00 0.00 O ATOM 0 H SER A 17 -4.169 -8.968 -22.710 1.00 0.00 H new ATOM 0 HA SER A 17 -5.055 -11.438 -24.040 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.931 -9.426 -22.724 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.412 -10.834 -23.650 1.00 0.00 H new ATOM 0 HG SER A 17 -7.451 -11.231 -21.365 1.00 0.00 H new ATOM 314 N VAL A 18 -5.613 -10.132 -26.097 1.00 0.00 N ATOM 315 CA VAL A 18 -5.717 -9.385 -27.345 1.00 0.00 C ATOM 316 C VAL A 18 -7.109 -8.787 -27.513 1.00 0.00 C ATOM 317 O VAL A 18 -7.361 -8.030 -28.451 1.00 0.00 O ATOM 318 CB VAL A 18 -5.403 -10.277 -28.561 1.00 0.00 C ATOM 319 CG1 VAL A 18 -6.497 -11.316 -28.757 1.00 0.00 C ATOM 320 CG2 VAL A 18 -5.230 -9.430 -29.812 1.00 0.00 C ATOM 0 H VAL A 18 -5.735 -11.140 -26.198 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.983 -8.581 -27.295 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.466 -10.802 -28.373 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.258 -11.937 -29.620 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.567 -11.942 -27.868 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.450 -10.814 -28.924 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.009 -10.076 -30.661 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.149 -8.877 -30.007 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.408 -8.729 -29.666 1.00 0.00 H new ATOM 330 N ASP A 19 -8.009 -9.130 -26.599 1.00 0.00 N ATOM 331 CA ASP A 19 -9.376 -8.626 -26.645 1.00 0.00 C ATOM 332 C ASP A 19 -9.395 -7.101 -26.604 1.00 0.00 C ATOM 333 O ASP A 19 -10.363 -6.470 -27.027 1.00 0.00 O ATOM 334 CB ASP A 19 -10.190 -9.189 -25.479 1.00 0.00 C ATOM 335 CG ASP A 19 -11.571 -8.570 -25.383 1.00 0.00 C ATOM 336 OD1 ASP A 19 -12.174 -8.298 -26.443 1.00 0.00 O ATOM 337 OD2 ASP A 19 -12.048 -8.358 -24.249 1.00 0.00 O ATOM 0 H ASP A 19 -7.816 -9.755 -25.817 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.825 -8.952 -27.583 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.286 -10.268 -25.595 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.652 -9.015 -24.547 1.00 0.00 H new ATOM 342 N ASP A 20 -8.318 -6.515 -26.091 1.00 0.00 N ATOM 343 CA ASP A 20 -8.210 -5.064 -25.995 1.00 0.00 C ATOM 344 C ASP A 20 -7.365 -4.505 -27.136 1.00 0.00 C ATOM 345 O ASP A 20 -6.794 -3.420 -27.025 1.00 0.00 O ATOM 346 CB ASP A 20 -7.602 -4.664 -24.650 1.00 0.00 C ATOM 347 CG ASP A 20 -8.642 -4.561 -23.552 1.00 0.00 C ATOM 348 OD1 ASP A 20 -9.531 -5.437 -23.493 1.00 0.00 O ATOM 349 OD2 ASP A 20 -8.566 -3.607 -22.751 1.00 0.00 O ATOM 0 H ASP A 20 -7.508 -7.023 -25.735 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.213 -4.644 -26.070 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.847 -5.396 -24.364 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.093 -3.706 -24.755 1.00 0.00 H new ATOM 354 N ILE A 21 -7.289 -5.254 -28.231 1.00 0.00 N ATOM 355 CA ILE A 21 -6.514 -4.833 -29.391 1.00 0.00 C ATOM 356 C ILE A 21 -7.342 -4.925 -30.668 1.00 0.00 C ATOM 357 O ILE A 21 -7.938 -5.963 -30.960 1.00 0.00 O ATOM 358 CB ILE A 21 -5.240 -5.684 -29.556 1.00 0.00 C ATOM 359 CG1 ILE A 21 -4.363 -5.575 -28.307 1.00 0.00 C ATOM 360 CG2 ILE A 21 -4.468 -5.247 -30.792 1.00 0.00 C ATOM 361 CD1 ILE A 21 -3.103 -6.409 -28.380 1.00 0.00 C ATOM 0 H ILE A 21 -7.755 -6.155 -28.339 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.228 -3.795 -29.220 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.531 -6.727 -29.683 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.090 -4.531 -28.154 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.943 -5.883 -27.437 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.571 -5.857 -30.895 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.095 -5.371 -31.675 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.185 -4.199 -30.692 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.530 -6.283 -27.461 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.368 -7.459 -28.501 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.502 -6.086 -29.230 1.00 0.00 H new ATOM 373 N ILE A 22 -7.373 -3.835 -31.427 1.00 0.00 N ATOM 374 CA ILE A 22 -8.125 -3.794 -32.674 1.00 0.00 C ATOM 375 C ILE A 22 -7.244 -3.342 -33.834 1.00 0.00 C ATOM 376 O ILE A 22 -6.033 -3.176 -33.678 1.00 0.00 O ATOM 377 CB ILE A 22 -9.338 -2.851 -32.569 1.00 0.00 C ATOM 378 CG1 ILE A 22 -8.873 -1.401 -32.420 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.222 -3.252 -31.397 1.00 0.00 C ATOM 380 CD1 ILE A 22 -10.011 -0.408 -32.323 1.00 0.00 C ATOM 0 H ILE A 22 -6.886 -2.968 -31.200 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.478 -4.808 -32.862 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.923 -2.933 -33.485 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.251 -1.317 -31.529 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.245 -1.140 -33.272 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.075 -2.576 -31.336 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.577 -4.272 -31.542 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.648 -3.196 -30.472 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.607 0.599 -32.219 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.620 -0.464 -33.225 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.626 -0.643 -31.455 1.00 0.00 H new ATOM 392 N ILE A 23 -7.858 -3.144 -34.995 1.00 0.00 N ATOM 393 CA ILE A 23 -7.130 -2.708 -36.180 1.00 0.00 C ATOM 394 C ILE A 23 -6.909 -1.199 -36.166 1.00 0.00 C ATOM 395 O ILE A 23 -7.769 -0.439 -35.720 1.00 0.00 O ATOM 396 CB ILE A 23 -7.873 -3.095 -37.472 1.00 0.00 C ATOM 397 CG1 ILE A 23 -8.324 -4.556 -37.408 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.984 -2.862 -38.684 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.187 -5.531 -37.200 1.00 0.00 C ATOM 0 H ILE A 23 -8.859 -3.279 -35.141 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.165 -3.214 -36.161 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.757 -2.465 -37.568 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.043 -4.671 -36.597 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.844 -4.808 -38.332 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.523 -3.140 -39.590 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.707 -1.809 -38.735 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.083 -3.470 -38.597 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.581 -6.547 -37.165 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.478 -5.445 -38.024 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.681 -5.305 -36.261 1.00 0.00 H new ATOM 411 N LYS A 24 -5.752 -0.771 -36.658 1.00 0.00 N ATOM 412 CA LYS A 24 -5.418 0.647 -36.706 1.00 0.00 C ATOM 413 C LYS A 24 -5.332 1.234 -35.301 1.00 0.00 C ATOM 414 O LYS A 24 -5.530 2.434 -35.106 1.00 0.00 O ATOM 415 CB LYS A 24 -6.461 1.410 -37.526 1.00 0.00 C ATOM 416 CG LYS A 24 -6.758 0.776 -38.874 1.00 0.00 C ATOM 417 CD LYS A 24 -5.559 0.855 -39.804 1.00 0.00 C ATOM 418 CE LYS A 24 -5.535 2.168 -40.571 1.00 0.00 C ATOM 419 NZ LYS A 24 -4.912 3.263 -39.775 1.00 0.00 N ATOM 0 H LYS A 24 -5.029 -1.387 -37.030 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.443 0.749 -37.183 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.386 1.474 -36.953 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.112 2.431 -37.683 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.041 -0.267 -38.732 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.610 1.278 -39.333 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.641 0.753 -39.225 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.587 0.022 -40.507 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.983 2.035 -41.501 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.553 2.449 -40.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.398 3.905 -40.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.653 3.792 -39.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.249 2.856 -39.084 1.00 0.00 H new ATOM 433 N CYS A 25 -5.035 0.382 -34.326 1.00 0.00 N ATOM 434 CA CYS A 25 -4.922 0.817 -32.939 1.00 0.00 C ATOM 435 C CYS A 25 -3.475 1.151 -32.589 1.00 0.00 C ATOM 436 O CYS A 25 -2.544 0.644 -33.213 1.00 0.00 O ATOM 437 CB CYS A 25 -5.449 -0.268 -31.998 1.00 0.00 C ATOM 438 SG CYS A 25 -6.153 0.368 -30.459 1.00 0.00 S ATOM 0 H CYS A 25 -4.868 -0.614 -34.471 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.523 1.718 -32.817 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.209 -0.849 -32.520 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.635 -0.952 -31.757 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.573 -0.624 -29.731 1.00 0.00 H new ATOM 444 N GLN A 26 -3.296 2.008 -31.589 1.00 0.00 N ATOM 445 CA GLN A 26 -1.962 2.411 -31.159 1.00 0.00 C ATOM 446 C GLN A 26 -1.445 1.492 -30.058 1.00 0.00 C ATOM 447 O GLN A 26 -2.069 1.358 -29.004 1.00 0.00 O ATOM 448 CB GLN A 26 -1.979 3.859 -30.667 1.00 0.00 C ATOM 449 CG GLN A 26 -0.677 4.294 -30.012 1.00 0.00 C ATOM 450 CD GLN A 26 -0.686 5.755 -29.610 1.00 0.00 C ATOM 451 OE1 GLN A 26 0.056 6.568 -30.163 1.00 0.00 O ATOM 452 NE2 GLN A 26 -1.528 6.099 -28.642 1.00 0.00 N ATOM 0 H GLN A 26 -4.057 2.436 -31.062 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.292 2.334 -32.015 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.190 4.518 -31.509 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.794 3.982 -29.954 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.495 3.680 -29.130 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.149 4.116 -30.700 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.125 5.393 -28.211 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.577 7.069 -28.330 1.00 0.00 H new ATOM 461 N CYS A 27 -0.302 0.863 -30.308 1.00 0.00 N ATOM 462 CA CYS A 27 0.299 -0.045 -29.337 1.00 0.00 C ATOM 463 C CYS A 27 1.648 0.485 -28.860 1.00 0.00 C ATOM 464 O CYS A 27 2.507 0.839 -29.668 1.00 0.00 O ATOM 465 CB CYS A 27 0.470 -1.437 -29.947 1.00 0.00 C ATOM 466 SG CYS A 27 1.427 -1.458 -31.481 1.00 0.00 S ATOM 0 H CYS A 27 0.227 0.965 -31.174 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.368 -0.113 -28.478 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.958 -2.084 -29.218 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.515 -1.861 -30.140 1.00 0.00 H new ATOM 0 HG CYS A 27 1.879 -2.658 -31.694 1.00 0.00 H new ATOM 472 N TRP A 28 1.826 0.536 -27.545 1.00 0.00 N ATOM 473 CA TRP A 28 3.070 1.024 -26.961 1.00 0.00 C ATOM 474 C TRP A 28 4.018 -0.131 -26.656 1.00 0.00 C ATOM 475 O TRP A 28 3.651 -1.082 -25.965 1.00 0.00 O ATOM 476 CB TRP A 28 2.783 1.815 -25.685 1.00 0.00 C ATOM 477 CG TRP A 28 2.541 3.274 -25.932 1.00 0.00 C ATOM 478 CD1 TRP A 28 1.331 3.894 -26.057 1.00 0.00 C ATOM 479 CD2 TRP A 28 3.534 4.293 -26.085 1.00 0.00 C ATOM 480 NE1 TRP A 28 1.512 5.238 -26.279 1.00 0.00 N ATOM 481 CE2 TRP A 28 2.855 5.508 -26.300 1.00 0.00 C ATOM 482 CE3 TRP A 28 4.931 4.298 -26.060 1.00 0.00 C ATOM 483 CZ2 TRP A 28 3.526 6.713 -26.489 1.00 0.00 C ATOM 484 CZ3 TRP A 28 5.597 5.495 -26.248 1.00 0.00 C ATOM 485 CH2 TRP A 28 4.894 6.689 -26.460 1.00 0.00 C ATOM 0 H TRP A 28 1.125 0.246 -26.863 1.00 0.00 H new ATOM 0 HA TRP A 28 3.549 1.681 -27.687 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.911 1.388 -25.190 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.624 1.704 -25.001 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.373 3.401 -25.991 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.767 5.923 -26.407 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.481 3.383 -25.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.986 7.634 -26.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.677 5.510 -26.231 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.443 7.608 -26.603 1.00 0.00 H new ATOM 496 N VAL A 29 5.239 -0.042 -27.173 1.00 0.00 N ATOM 497 CA VAL A 29 6.240 -1.079 -26.954 1.00 0.00 C ATOM 498 C VAL A 29 7.220 -0.675 -25.859 1.00 0.00 C ATOM 499 O VAL A 29 8.011 0.252 -26.033 1.00 0.00 O ATOM 500 CB VAL A 29 7.025 -1.383 -28.244 1.00 0.00 C ATOM 501 CG1 VAL A 29 8.010 -2.519 -28.014 1.00 0.00 C ATOM 502 CG2 VAL A 29 6.071 -1.715 -29.382 1.00 0.00 C ATOM 0 H VAL A 29 5.559 0.738 -27.747 1.00 0.00 H new ATOM 0 HA VAL A 29 5.704 -1.976 -26.644 1.00 0.00 H new ATOM 0 HB VAL A 29 7.591 -0.494 -28.523 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.556 -2.720 -28.936 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.713 -2.238 -27.230 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.468 -3.415 -27.711 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.642 -1.927 -30.286 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.476 -2.589 -29.115 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.410 -0.867 -29.561 1.00 0.00 H new ATOM 512 N GLN A 30 7.162 -1.376 -24.732 1.00 0.00 N ATOM 513 CA GLN A 30 8.045 -1.089 -23.608 1.00 0.00 C ATOM 514 C GLN A 30 9.279 -1.984 -23.643 1.00 0.00 C ATOM 515 O GLN A 30 9.213 -3.165 -23.303 1.00 0.00 O ATOM 516 CB GLN A 30 7.300 -1.279 -22.285 1.00 0.00 C ATOM 517 CG GLN A 30 6.687 0.002 -21.743 1.00 0.00 C ATOM 518 CD GLN A 30 5.402 -0.245 -20.978 1.00 0.00 C ATOM 519 OE1 GLN A 30 4.398 -0.673 -21.548 1.00 0.00 O ATOM 520 NE2 GLN A 30 5.426 0.024 -19.677 1.00 0.00 N ATOM 0 H GLN A 30 6.513 -2.147 -24.573 1.00 0.00 H new ATOM 0 HA GLN A 30 8.369 -0.051 -23.689 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.512 -2.019 -22.424 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.989 -1.684 -21.544 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.406 0.496 -21.089 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.488 0.683 -22.570 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.280 0.377 -19.245 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.591 -0.123 -19.110 1.00 0.00 H new ATOM 529 N LYS A 31 10.406 -1.414 -24.056 1.00 0.00 N ATOM 530 CA LYS A 31 11.657 -2.159 -24.136 1.00 0.00 C ATOM 531 C LYS A 31 12.285 -2.315 -22.755 1.00 0.00 C ATOM 532 O LYS A 31 11.905 -1.627 -21.808 1.00 0.00 O ATOM 533 CB LYS A 31 12.636 -1.453 -25.076 1.00 0.00 C ATOM 534 CG LYS A 31 12.741 -2.104 -26.445 1.00 0.00 C ATOM 535 CD LYS A 31 13.576 -3.372 -26.396 1.00 0.00 C ATOM 536 CE LYS A 31 15.054 -3.075 -26.597 1.00 0.00 C ATOM 537 NZ LYS A 31 15.326 -2.500 -27.943 1.00 0.00 N ATOM 0 H LYS A 31 10.479 -0.437 -24.341 1.00 0.00 H new ATOM 0 HA LYS A 31 11.436 -3.151 -24.530 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.325 -0.416 -25.199 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.623 -1.437 -24.614 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.743 -2.338 -26.815 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.185 -1.401 -27.150 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.431 -3.867 -25.436 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.235 -4.063 -27.166 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.392 -2.379 -25.830 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.629 -3.992 -26.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.306 -2.713 -28.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.672 -2.916 -28.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.191 -1.469 -27.914 1.00 0.00 H new ATOM 551 N ASN A 32 13.250 -3.223 -22.648 1.00 0.00 N ATOM 552 CA ASN A 32 13.932 -3.468 -21.382 1.00 0.00 C ATOM 553 C ASN A 32 14.446 -2.164 -20.779 1.00 0.00 C ATOM 554 O ASN A 32 14.226 -1.884 -19.601 1.00 0.00 O ATOM 555 CB ASN A 32 15.095 -4.442 -21.586 1.00 0.00 C ATOM 556 CG ASN A 32 14.632 -5.802 -22.070 1.00 0.00 C ATOM 557 OD1 ASN A 32 13.503 -5.956 -22.536 1.00 0.00 O ATOM 558 ND2 ASN A 32 15.504 -6.797 -21.960 1.00 0.00 N ATOM 0 H ASN A 32 13.577 -3.801 -23.422 1.00 0.00 H new ATOM 0 HA ASN A 32 13.214 -3.909 -20.690 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.795 -4.021 -22.308 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.637 -4.559 -20.647 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.249 -7.735 -22.268 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.429 -6.623 -21.567 1.00 0.00 H new ATOM 565 N ASP A 33 15.130 -1.370 -21.596 1.00 0.00 N ATOM 566 CA ASP A 33 15.674 -0.095 -21.144 1.00 0.00 C ATOM 567 C ASP A 33 15.384 1.008 -22.157 1.00 0.00 C ATOM 568 O ASP A 33 16.058 2.038 -22.177 1.00 0.00 O ATOM 569 CB ASP A 33 17.181 -0.211 -20.915 1.00 0.00 C ATOM 570 CG ASP A 33 17.720 0.900 -20.035 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.613 0.781 -18.796 1.00 0.00 O ATOM 572 OD2 ASP A 33 18.251 1.887 -20.585 1.00 0.00 O ATOM 0 H ASP A 33 15.321 -1.587 -22.574 1.00 0.00 H new ATOM 0 HA ASP A 33 15.191 0.165 -20.202 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.403 -1.174 -20.456 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.694 -0.191 -21.876 1.00 0.00 H new ATOM 577 N GLU A 34 14.378 0.785 -22.997 1.00 0.00 N ATOM 578 CA GLU A 34 14.002 1.760 -24.014 1.00 0.00 C ATOM 579 C GLU A 34 12.485 1.851 -24.146 1.00 0.00 C ATOM 580 O GLU A 34 11.752 1.061 -23.551 1.00 0.00 O ATOM 581 CB GLU A 34 14.620 1.387 -25.364 1.00 0.00 C ATOM 582 CG GLU A 34 16.073 1.809 -25.505 1.00 0.00 C ATOM 583 CD GLU A 34 16.265 3.303 -25.332 1.00 0.00 C ATOM 584 OE1 GLU A 34 15.353 4.067 -25.714 1.00 0.00 O ATOM 585 OE2 GLU A 34 17.327 3.709 -24.815 1.00 0.00 O ATOM 0 H GLU A 34 13.809 -0.062 -22.993 1.00 0.00 H new ATOM 0 HA GLU A 34 14.382 2.734 -23.705 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.549 0.308 -25.501 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.037 1.849 -26.161 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.674 1.281 -24.765 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.441 1.510 -26.487 1.00 0.00 H new ATOM 592 N GLU A 35 12.021 2.820 -24.928 1.00 0.00 N ATOM 593 CA GLU A 35 10.591 3.016 -25.136 1.00 0.00 C ATOM 594 C GLU A 35 10.295 3.353 -26.594 1.00 0.00 C ATOM 595 O GLU A 35 10.897 4.261 -27.167 1.00 0.00 O ATOM 596 CB GLU A 35 10.069 4.130 -24.227 1.00 0.00 C ATOM 597 CG GLU A 35 9.349 3.619 -22.990 1.00 0.00 C ATOM 598 CD GLU A 35 7.894 3.284 -23.259 1.00 0.00 C ATOM 599 OE1 GLU A 35 7.562 2.973 -24.422 1.00 0.00 O ATOM 600 OE2 GLU A 35 7.088 3.334 -22.307 1.00 0.00 O ATOM 0 H GLU A 35 12.614 3.482 -25.428 1.00 0.00 H new ATOM 0 HA GLU A 35 10.082 2.085 -24.886 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.905 4.757 -23.917 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.390 4.764 -24.797 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.860 2.731 -22.618 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.405 4.372 -22.204 1.00 0.00 H new ATOM 607 N ARG A 36 9.363 2.615 -27.189 1.00 0.00 N ATOM 608 CA ARG A 36 8.987 2.834 -28.580 1.00 0.00 C ATOM 609 C ARG A 36 7.471 2.781 -28.749 1.00 0.00 C ATOM 610 O ARG A 36 6.764 2.200 -27.924 1.00 0.00 O ATOM 611 CB ARG A 36 9.648 1.789 -29.480 1.00 0.00 C ATOM 612 CG ARG A 36 9.957 2.297 -30.879 1.00 0.00 C ATOM 613 CD ARG A 36 11.236 3.119 -30.903 1.00 0.00 C ATOM 614 NE ARG A 36 11.000 4.510 -30.525 1.00 0.00 N ATOM 615 CZ ARG A 36 10.356 5.381 -31.293 1.00 0.00 C ATOM 616 NH1 ARG A 36 9.885 5.007 -32.475 1.00 0.00 N ATOM 617 NH2 ARG A 36 10.180 6.630 -30.879 1.00 0.00 N ATOM 0 H ARG A 36 8.855 1.860 -26.729 1.00 0.00 H new ATOM 0 HA ARG A 36 9.333 3.826 -28.871 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.573 1.452 -29.012 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.994 0.920 -29.554 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.053 1.452 -31.561 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.126 2.904 -31.239 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.964 2.677 -30.223 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.671 3.084 -31.902 1.00 0.00 H new ATOM 0 HE ARG A 36 11.349 4.830 -29.622 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.017 4.048 -32.796 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.391 5.678 -33.063 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.540 6.921 -29.970 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.685 7.298 -31.470 1.00 0.00 H new ATOM 631 N LEU A 37 6.979 3.391 -29.821 1.00 0.00 N ATOM 632 CA LEU A 37 5.547 3.413 -30.099 1.00 0.00 C ATOM 633 C LEU A 37 5.261 2.960 -31.527 1.00 0.00 C ATOM 634 O LEU A 37 5.900 3.419 -32.473 1.00 0.00 O ATOM 635 CB LEU A 37 4.986 4.819 -29.876 1.00 0.00 C ATOM 636 CG LEU A 37 3.486 4.989 -30.115 1.00 0.00 C ATOM 637 CD1 LEU A 37 3.196 5.148 -31.600 1.00 0.00 C ATOM 638 CD2 LEU A 37 2.717 3.806 -29.544 1.00 0.00 C ATOM 0 H LEU A 37 7.550 3.877 -30.512 1.00 0.00 H new ATOM 0 HA LEU A 37 5.059 2.720 -29.414 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.206 5.118 -28.851 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.518 5.509 -30.531 1.00 0.00 H new ATOM 0 HG LEU A 37 3.157 5.893 -29.602 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.123 5.268 -31.750 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.716 6.027 -31.980 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.541 4.263 -32.135 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.651 3.944 -29.723 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.050 2.888 -30.028 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.899 3.738 -28.471 1.00 0.00 H new ATOM 650 N ALA A 38 4.296 2.058 -31.674 1.00 0.00 N ATOM 651 CA ALA A 38 3.924 1.546 -32.987 1.00 0.00 C ATOM 652 C ALA A 38 2.412 1.379 -33.102 1.00 0.00 C ATOM 653 O ALA A 38 1.683 1.563 -32.128 1.00 0.00 O ATOM 654 CB ALA A 38 4.625 0.223 -33.256 1.00 0.00 C ATOM 0 H ALA A 38 3.758 1.667 -30.901 1.00 0.00 H new ATOM 0 HA ALA A 38 4.242 2.271 -33.736 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.338 -0.147 -34.240 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.705 0.370 -33.225 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.336 -0.503 -32.496 1.00 0.00 H new ATOM 660 N GLU A 39 1.949 1.031 -34.299 1.00 0.00 N ATOM 661 CA GLU A 39 0.524 0.842 -34.540 1.00 0.00 C ATOM 662 C GLU A 39 0.239 -0.574 -35.032 1.00 0.00 C ATOM 663 O GLU A 39 1.125 -1.251 -35.554 1.00 0.00 O ATOM 664 CB GLU A 39 0.017 1.861 -35.563 1.00 0.00 C ATOM 665 CG GLU A 39 -1.464 2.173 -35.429 1.00 0.00 C ATOM 666 CD GLU A 39 -1.905 3.307 -36.335 1.00 0.00 C ATOM 667 OE1 GLU A 39 -1.148 3.649 -37.268 1.00 0.00 O ATOM 668 OE2 GLU A 39 -3.006 3.851 -36.111 1.00 0.00 O ATOM 0 H GLU A 39 2.540 0.875 -35.116 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.001 0.993 -33.597 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.585 2.785 -35.455 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.211 1.483 -36.567 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.043 1.279 -35.663 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.685 2.433 -34.394 1.00 0.00 H new ATOM 675 N ILE A 40 -1.003 -1.015 -34.861 1.00 0.00 N ATOM 676 CA ILE A 40 -1.405 -2.349 -35.287 1.00 0.00 C ATOM 677 C ILE A 40 -2.141 -2.301 -36.623 1.00 0.00 C ATOM 678 O ILE A 40 -3.122 -1.573 -36.778 1.00 0.00 O ATOM 679 CB ILE A 40 -2.309 -3.026 -34.240 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.589 -3.114 -32.893 1.00 0.00 C ATOM 681 CG2 ILE A 40 -2.726 -4.410 -34.716 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.348 -3.978 -32.927 1.00 0.00 C ATOM 0 H ILE A 40 -1.748 -0.467 -34.430 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.492 -2.933 -35.398 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.207 -2.422 -34.111 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.314 -2.110 -32.571 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.278 -3.511 -32.147 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.365 -4.876 -33.965 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.274 -4.322 -35.654 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.839 -5.025 -34.870 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.111 -3.995 -31.938 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.619 -4.993 -33.218 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.360 -3.570 -33.649 1.00 0.00 H new ATOM 694 N LEU A 41 -1.662 -3.084 -37.584 1.00 0.00 N ATOM 695 CA LEU A 41 -2.275 -3.133 -38.907 1.00 0.00 C ATOM 696 C LEU A 41 -3.172 -4.358 -39.046 1.00 0.00 C ATOM 697 O LEU A 41 -4.394 -4.239 -39.137 1.00 0.00 O ATOM 698 CB LEU A 41 -1.195 -3.151 -39.990 1.00 0.00 C ATOM 699 CG LEU A 41 -0.365 -1.875 -40.132 1.00 0.00 C ATOM 700 CD1 LEU A 41 0.664 -2.028 -41.241 1.00 0.00 C ATOM 701 CD2 LEU A 41 -1.267 -0.679 -40.400 1.00 0.00 C ATOM 0 H LEU A 41 -0.852 -3.693 -37.472 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.889 -2.241 -39.030 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.518 -3.980 -39.786 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.673 -3.358 -40.948 1.00 0.00 H new ATOM 0 HG LEU A 41 0.164 -1.703 -39.195 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.245 -1.110 -41.327 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.330 -2.859 -41.007 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.155 -2.225 -42.185 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.659 0.220 -40.498 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.824 -0.843 -41.322 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.965 -0.557 -39.572 1.00 0.00 H new ATOM 713 N SER A 42 -2.557 -5.537 -39.060 1.00 0.00 N ATOM 714 CA SER A 42 -3.300 -6.785 -39.190 1.00 0.00 C ATOM 715 C SER A 42 -3.028 -7.705 -38.003 1.00 0.00 C ATOM 716 O SER A 42 -1.971 -7.629 -37.375 1.00 0.00 O ATOM 717 CB SER A 42 -2.927 -7.492 -40.494 1.00 0.00 C ATOM 718 OG SER A 42 -3.239 -6.687 -41.618 1.00 0.00 O ATOM 0 H SER A 42 -1.547 -5.654 -38.983 1.00 0.00 H new ATOM 0 HA SER A 42 -4.363 -6.546 -39.206 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.862 -7.724 -40.494 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.460 -8.440 -40.563 1.00 0.00 H new ATOM 0 HG SER A 42 -2.990 -7.161 -42.439 1.00 0.00 H new ATOM 724 N ILE A 43 -3.988 -8.573 -37.703 1.00 0.00 N ATOM 725 CA ILE A 43 -3.852 -9.508 -36.594 1.00 0.00 C ATOM 726 C ILE A 43 -4.106 -10.941 -37.049 1.00 0.00 C ATOM 727 O ILE A 43 -5.160 -11.250 -37.603 1.00 0.00 O ATOM 728 CB ILE A 43 -4.822 -9.166 -35.447 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.567 -7.745 -34.940 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.679 -10.172 -34.315 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.504 -7.322 -33.832 1.00 0.00 C ATOM 0 H ILE A 43 -4.868 -8.648 -38.213 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.828 -9.420 -36.231 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.843 -9.218 -35.826 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.540 -7.674 -34.583 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.664 -7.048 -35.772 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.371 -9.917 -33.512 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.906 -11.172 -34.686 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.658 -10.149 -33.935 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.265 -6.305 -33.522 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.533 -7.360 -34.191 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.391 -7.996 -32.983 1.00 0.00 H new ATOM 743 N ASN A 44 -3.132 -11.813 -36.809 1.00 0.00 N ATOM 744 CA ASN A 44 -3.250 -13.215 -37.193 1.00 0.00 C ATOM 745 C ASN A 44 -3.562 -14.087 -35.981 1.00 0.00 C ATOM 746 O ASN A 44 -2.931 -13.960 -34.931 1.00 0.00 O ATOM 747 CB ASN A 44 -1.959 -13.693 -37.860 1.00 0.00 C ATOM 748 CG ASN A 44 -1.909 -13.349 -39.337 1.00 0.00 C ATOM 749 OD1 ASN A 44 -1.557 -14.186 -40.169 1.00 0.00 O ATOM 750 ND2 ASN A 44 -2.261 -12.112 -39.668 1.00 0.00 N ATOM 0 H ASN A 44 -2.253 -11.574 -36.351 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.072 -13.303 -37.903 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.104 -13.242 -37.356 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.868 -14.772 -37.738 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.247 -11.822 -40.646 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.546 -11.452 -38.944 1.00 0.00 H new ATOM 757 N THR A 45 -4.540 -14.975 -36.133 1.00 0.00 N ATOM 758 CA THR A 45 -4.937 -15.868 -35.051 1.00 0.00 C ATOM 759 C THR A 45 -4.738 -17.327 -35.442 1.00 0.00 C ATOM 760 O THR A 45 -5.562 -18.184 -35.121 1.00 0.00 O ATOM 761 CB THR A 45 -6.409 -15.650 -34.655 1.00 0.00 C ATOM 762 OG1 THR A 45 -7.272 -16.146 -35.684 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.693 -14.175 -34.415 1.00 0.00 C ATOM 0 H THR A 45 -5.072 -15.095 -36.995 1.00 0.00 H new ATOM 0 HA THR A 45 -4.301 -15.634 -34.198 1.00 0.00 H new ATOM 0 HB THR A 45 -6.597 -16.195 -33.730 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.206 -16.005 -35.424 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.739 -14.046 -34.137 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.056 -13.808 -33.611 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.488 -13.612 -35.326 1.00 0.00 H new ATOM 771 N ARG A 46 -3.639 -17.605 -36.137 1.00 0.00 N ATOM 772 CA ARG A 46 -3.333 -18.962 -36.572 1.00 0.00 C ATOM 773 C ARG A 46 -2.335 -19.624 -35.626 1.00 0.00 C ATOM 774 O ARG A 46 -2.376 -20.836 -35.412 1.00 0.00 O ATOM 775 CB ARG A 46 -2.772 -18.949 -37.995 1.00 0.00 C ATOM 776 CG ARG A 46 -2.932 -20.273 -38.725 1.00 0.00 C ATOM 777 CD ARG A 46 -4.302 -20.389 -39.374 1.00 0.00 C ATOM 778 NE ARG A 46 -4.509 -21.700 -39.984 1.00 0.00 N ATOM 779 CZ ARG A 46 -5.697 -22.153 -40.367 1.00 0.00 C ATOM 780 NH1 ARG A 46 -6.780 -21.404 -40.205 1.00 0.00 N ATOM 781 NH2 ARG A 46 -5.805 -23.356 -40.915 1.00 0.00 N ATOM 0 H ARG A 46 -2.946 -16.908 -36.411 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.258 -19.539 -36.558 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.271 -18.166 -38.566 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.714 -18.690 -37.957 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.158 -20.365 -39.487 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.789 -21.096 -38.024 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.074 -20.211 -38.625 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.410 -19.615 -40.133 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.696 -22.300 -40.123 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.701 -20.478 -39.785 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.691 -21.754 -40.500 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.975 -23.935 -41.043 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.718 -23.703 -41.209 1.00 0.00 H new ATOM 795 N LYS A 47 -1.439 -18.821 -35.063 1.00 0.00 N ATOM 796 CA LYS A 47 -0.430 -19.327 -34.140 1.00 0.00 C ATOM 797 C LYS A 47 -0.854 -19.099 -32.693 1.00 0.00 C ATOM 798 O LYS A 47 -1.839 -18.411 -32.426 1.00 0.00 O ATOM 799 CB LYS A 47 0.916 -18.648 -34.401 1.00 0.00 C ATOM 800 CG LYS A 47 1.545 -19.035 -35.728 1.00 0.00 C ATOM 801 CD LYS A 47 2.065 -20.462 -35.704 1.00 0.00 C ATOM 802 CE LYS A 47 3.480 -20.532 -35.150 1.00 0.00 C ATOM 803 NZ LYS A 47 4.491 -20.111 -36.159 1.00 0.00 N ATOM 0 H LYS A 47 -1.391 -17.816 -35.230 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.327 -20.399 -34.306 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.779 -17.567 -34.375 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.604 -18.902 -33.595 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.809 -18.928 -36.525 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.364 -18.352 -35.956 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.405 -21.081 -35.096 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.048 -20.873 -36.713 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.558 -19.894 -34.270 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.693 -21.550 -34.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.445 -20.205 -35.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.412 -20.714 -37.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.324 -19.120 -36.425 1.00 0.00 H new ATOM 817 N ALA A 48 -0.104 -19.680 -31.762 1.00 0.00 N ATOM 818 CA ALA A 48 -0.400 -19.537 -30.342 1.00 0.00 C ATOM 819 C ALA A 48 0.876 -19.341 -29.532 1.00 0.00 C ATOM 820 O ALA A 48 1.702 -20.245 -29.401 1.00 0.00 O ATOM 821 CB ALA A 48 -1.167 -20.750 -29.838 1.00 0.00 C ATOM 0 H ALA A 48 0.714 -20.255 -31.966 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.020 -18.650 -30.213 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.381 -20.630 -28.776 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.103 -20.843 -30.389 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.567 -21.648 -29.988 1.00 0.00 H new ATOM 827 N PRO A 49 1.045 -18.133 -28.974 1.00 0.00 N ATOM 828 CA PRO A 49 0.069 -17.049 -29.123 1.00 0.00 C ATOM 829 C PRO A 49 0.029 -16.496 -30.544 1.00 0.00 C ATOM 830 O PRO A 49 0.896 -16.780 -31.371 1.00 0.00 O ATOM 831 CB PRO A 49 0.572 -15.982 -28.148 1.00 0.00 C ATOM 832 CG PRO A 49 2.034 -16.243 -28.022 1.00 0.00 C ATOM 833 CD PRO A 49 2.201 -17.731 -28.156 1.00 0.00 C ATOM 0 HA PRO A 49 -0.948 -17.386 -28.920 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.380 -14.978 -28.526 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.071 -16.060 -27.183 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.593 -15.716 -28.796 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.412 -15.893 -27.061 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.144 -17.987 -28.639 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.197 -18.225 -27.184 1.00 0.00 H new ATOM 841 N PRO A 50 -1.000 -15.687 -30.836 1.00 0.00 N ATOM 842 CA PRO A 50 -1.177 -15.077 -32.157 1.00 0.00 C ATOM 843 C PRO A 50 -0.128 -14.009 -32.447 1.00 0.00 C ATOM 844 O PRO A 50 0.550 -13.527 -31.539 1.00 0.00 O ATOM 845 CB PRO A 50 -2.570 -14.449 -32.074 1.00 0.00 C ATOM 846 CG PRO A 50 -2.788 -14.199 -30.622 1.00 0.00 C ATOM 847 CD PRO A 50 -2.070 -15.306 -29.899 1.00 0.00 C ATOM 0 HA PRO A 50 -1.070 -15.806 -32.960 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.621 -13.523 -32.647 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.330 -15.117 -32.479 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.396 -13.224 -30.331 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.851 -14.201 -30.381 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.667 -14.967 -28.945 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.734 -16.143 -29.685 1.00 0.00 H new ATOM 855 N LYS A 51 0.001 -13.642 -33.718 1.00 0.00 N ATOM 856 CA LYS A 51 0.966 -12.629 -34.128 1.00 0.00 C ATOM 857 C LYS A 51 0.263 -11.331 -34.512 1.00 0.00 C ATOM 858 O LYS A 51 -0.898 -11.340 -34.922 1.00 0.00 O ATOM 859 CB LYS A 51 1.799 -13.137 -35.307 1.00 0.00 C ATOM 860 CG LYS A 51 3.041 -13.905 -34.887 1.00 0.00 C ATOM 861 CD LYS A 51 3.394 -14.987 -35.894 1.00 0.00 C ATOM 862 CE LYS A 51 3.689 -14.397 -37.265 1.00 0.00 C ATOM 863 NZ LYS A 51 4.867 -13.487 -37.236 1.00 0.00 N ATOM 0 H LYS A 51 -0.551 -14.032 -34.482 1.00 0.00 H new ATOM 0 HA LYS A 51 1.625 -12.429 -33.283 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.177 -13.780 -35.930 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.097 -12.289 -35.923 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.879 -13.215 -34.784 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.877 -14.357 -33.909 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.262 -15.544 -35.542 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.570 -15.696 -35.971 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.870 -15.203 -37.976 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.816 -13.849 -37.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.994 -13.053 -38.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.712 -12.742 -36.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.719 -14.030 -36.987 1.00 0.00 H new ATOM 877 N PHE A 52 0.973 -10.216 -34.377 1.00 0.00 N ATOM 878 CA PHE A 52 0.417 -8.910 -34.710 1.00 0.00 C ATOM 879 C PHE A 52 1.399 -8.098 -35.549 1.00 0.00 C ATOM 880 O PHE A 52 2.576 -7.979 -35.205 1.00 0.00 O ATOM 881 CB PHE A 52 0.063 -8.143 -33.434 1.00 0.00 C ATOM 882 CG PHE A 52 -0.670 -8.973 -32.419 1.00 0.00 C ATOM 883 CD1 PHE A 52 -1.833 -9.644 -32.763 1.00 0.00 C ATOM 884 CD2 PHE A 52 -0.197 -9.082 -31.122 1.00 0.00 C ATOM 885 CE1 PHE A 52 -2.509 -10.408 -31.831 1.00 0.00 C ATOM 886 CE2 PHE A 52 -0.869 -9.845 -30.185 1.00 0.00 C ATOM 887 CZ PHE A 52 -2.026 -10.509 -30.541 1.00 0.00 C ATOM 0 H PHE A 52 1.935 -10.191 -34.039 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.489 -9.067 -35.295 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.979 -7.759 -32.985 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.549 -7.280 -33.696 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.215 -9.569 -33.770 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.708 -8.565 -30.839 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.414 -10.926 -32.111 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.490 -9.921 -29.177 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.553 -11.107 -29.812 1.00 0.00 H new ATOM 897 N TYR A 53 0.908 -7.542 -36.651 1.00 0.00 N ATOM 898 CA TYR A 53 1.742 -6.744 -37.541 1.00 0.00 C ATOM 899 C TYR A 53 1.842 -5.304 -37.049 1.00 0.00 C ATOM 900 O TYR A 53 0.860 -4.561 -37.062 1.00 0.00 O ATOM 901 CB TYR A 53 1.178 -6.771 -38.963 1.00 0.00 C ATOM 902 CG TYR A 53 2.108 -6.175 -39.995 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.469 -6.457 -39.979 1.00 0.00 C ATOM 904 CD2 TYR A 53 1.627 -5.329 -40.987 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.322 -5.914 -40.919 1.00 0.00 C ATOM 906 CE2 TYR A 53 2.473 -4.783 -41.933 1.00 0.00 C ATOM 907 CZ TYR A 53 3.820 -5.078 -41.894 1.00 0.00 C ATOM 908 OH TYR A 53 4.666 -4.536 -42.834 1.00 0.00 O ATOM 0 H TYR A 53 -0.064 -7.629 -36.949 1.00 0.00 H new ATOM 0 HA TYR A 53 2.742 -7.177 -37.545 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.957 -7.802 -39.238 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.233 -6.227 -38.981 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.866 -7.112 -39.218 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.573 -5.094 -41.019 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.377 -6.143 -40.891 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.082 -4.129 -42.699 1.00 0.00 H new ATOM 0 HH TYR A 53 4.365 -3.632 -43.063 1.00 0.00 H new ATOM 918 N VAL A 54 3.037 -4.915 -36.614 1.00 0.00 N ATOM 919 CA VAL A 54 3.268 -3.563 -36.119 1.00 0.00 C ATOM 920 C VAL A 54 3.706 -2.633 -37.245 1.00 0.00 C ATOM 921 O VAL A 54 4.314 -3.068 -38.223 1.00 0.00 O ATOM 922 CB VAL A 54 4.336 -3.547 -35.009 1.00 0.00 C ATOM 923 CG1 VAL A 54 3.818 -4.243 -33.760 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.621 -4.197 -35.498 1.00 0.00 C ATOM 0 H VAL A 54 3.860 -5.517 -36.595 1.00 0.00 H new ATOM 0 HA VAL A 54 2.322 -3.210 -35.708 1.00 0.00 H new ATOM 0 HB VAL A 54 4.555 -2.510 -34.753 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.586 -4.222 -32.987 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.927 -3.729 -33.400 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.570 -5.278 -33.997 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.365 -4.177 -34.701 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.421 -5.230 -35.782 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.000 -3.650 -36.362 1.00 0.00 H new ATOM 934 N HIS A 55 3.394 -1.349 -37.099 1.00 0.00 N ATOM 935 CA HIS A 55 3.757 -0.356 -38.103 1.00 0.00 C ATOM 936 C HIS A 55 4.346 0.890 -37.447 1.00 0.00 C ATOM 937 O HIS A 55 4.148 1.129 -36.256 1.00 0.00 O ATOM 938 CB HIS A 55 2.535 0.024 -38.940 1.00 0.00 C ATOM 939 CG HIS A 55 2.873 0.806 -40.172 1.00 0.00 C ATOM 940 ND1 HIS A 55 3.561 0.269 -41.240 1.00 0.00 N ATOM 941 CD2 HIS A 55 2.611 2.092 -40.504 1.00 0.00 C ATOM 942 CE1 HIS A 55 3.710 1.191 -42.174 1.00 0.00 C ATOM 943 NE2 HIS A 55 3.141 2.306 -41.753 1.00 0.00 N ATOM 0 H HIS A 55 2.891 -0.972 -36.296 1.00 0.00 H new ATOM 0 HA HIS A 55 4.513 -0.794 -38.755 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.006 -0.884 -39.230 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.851 0.608 -38.325 1.00 0.00 H new ATOM 0 HD1 HIS A 55 3.902 -0.691 -41.299 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.084 2.815 -39.899 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.212 1.056 -43.121 1.00 0.00 H new ATOM 951 N TYR A 56 5.071 1.679 -38.232 1.00 0.00 N ATOM 952 CA TYR A 56 5.691 2.898 -37.727 1.00 0.00 C ATOM 953 C TYR A 56 4.863 4.124 -38.097 1.00 0.00 C ATOM 954 O TYR A 56 3.776 4.006 -38.662 1.00 0.00 O ATOM 955 CB TYR A 56 7.110 3.041 -38.282 1.00 0.00 C ATOM 956 CG TYR A 56 7.157 3.249 -39.779 1.00 0.00 C ATOM 957 CD1 TYR A 56 7.173 2.167 -40.650 1.00 0.00 C ATOM 958 CD2 TYR A 56 7.184 4.528 -40.321 1.00 0.00 C ATOM 959 CE1 TYR A 56 7.217 2.353 -42.018 1.00 0.00 C ATOM 960 CE2 TYR A 56 7.226 4.723 -41.688 1.00 0.00 C ATOM 961 CZ TYR A 56 7.243 3.633 -42.532 1.00 0.00 C ATOM 962 OH TYR A 56 7.285 3.822 -43.895 1.00 0.00 O ATOM 0 H TYR A 56 5.244 1.496 -39.221 1.00 0.00 H new ATOM 0 HA TYR A 56 5.738 2.828 -36.640 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.600 3.882 -37.791 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.681 2.148 -38.030 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.151 1.164 -40.251 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.172 5.384 -39.663 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.231 1.501 -42.682 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.245 5.724 -42.093 1.00 0.00 H new ATOM 0 HH TYR A 56 7.298 4.782 -44.092 1.00 0.00 H new ATOM 972 N VAL A 57 5.386 5.303 -37.774 1.00 0.00 N ATOM 973 CA VAL A 57 4.697 6.553 -38.073 1.00 0.00 C ATOM 974 C VAL A 57 5.638 7.554 -38.733 1.00 0.00 C ATOM 975 O VAL A 57 5.253 8.263 -39.662 1.00 0.00 O ATOM 976 CB VAL A 57 4.103 7.185 -36.800 1.00 0.00 C ATOM 977 CG1 VAL A 57 2.926 6.365 -36.295 1.00 0.00 C ATOM 978 CG2 VAL A 57 5.171 7.318 -35.724 1.00 0.00 C ATOM 0 H VAL A 57 6.285 5.418 -37.305 1.00 0.00 H new ATOM 0 HA VAL A 57 3.887 6.312 -38.761 1.00 0.00 H new ATOM 0 HB VAL A 57 3.740 8.183 -37.046 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.520 6.827 -35.395 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.154 6.326 -37.063 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.260 5.353 -36.064 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.734 7.766 -34.831 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.565 6.332 -35.479 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.979 7.951 -36.090 1.00 0.00 H new ATOM 988 N ASN A 58 6.873 7.607 -38.247 1.00 0.00 N ATOM 989 CA ASN A 58 7.870 8.522 -38.790 1.00 0.00 C ATOM 990 C ASN A 58 8.603 7.891 -39.970 1.00 0.00 C ATOM 991 O ASN A 58 8.368 8.250 -41.124 1.00 0.00 O ATOM 992 CB ASN A 58 8.874 8.918 -37.705 1.00 0.00 C ATOM 993 CG ASN A 58 10.053 9.692 -38.263 1.00 0.00 C ATOM 994 OD1 ASN A 58 11.193 9.229 -38.215 1.00 0.00 O ATOM 995 ND2 ASN A 58 9.783 10.878 -38.797 1.00 0.00 N ATOM 0 H ASN A 58 7.208 7.027 -37.478 1.00 0.00 H new ATOM 0 HA ASN A 58 7.353 9.415 -39.142 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.370 9.523 -36.951 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.236 8.020 -37.204 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.536 11.444 -39.189 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.823 11.222 -38.815 1.00 0.00 H new ATOM 1002 N TYR A 59 9.490 6.948 -39.673 1.00 0.00 N ATOM 1003 CA TYR A 59 10.258 6.267 -40.709 1.00 0.00 C ATOM 1004 C TYR A 59 11.097 5.141 -40.113 1.00 0.00 C ATOM 1005 O TYR A 59 12.056 5.385 -39.382 1.00 0.00 O ATOM 1006 CB TYR A 59 11.163 7.262 -41.438 1.00 0.00 C ATOM 1007 CG TYR A 59 12.033 6.624 -42.498 1.00 0.00 C ATOM 1008 CD1 TYR A 59 11.509 5.694 -43.387 1.00 0.00 C ATOM 1009 CD2 TYR A 59 13.379 6.953 -42.610 1.00 0.00 C ATOM 1010 CE1 TYR A 59 12.301 5.109 -44.357 1.00 0.00 C ATOM 1011 CE2 TYR A 59 14.177 6.373 -43.577 1.00 0.00 C ATOM 1012 CZ TYR A 59 13.633 5.452 -44.448 1.00 0.00 C ATOM 1013 OH TYR A 59 14.424 4.872 -45.413 1.00 0.00 O ATOM 0 H TYR A 59 9.695 6.638 -38.723 1.00 0.00 H new ATOM 0 HA TYR A 59 9.556 5.834 -41.422 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.545 8.031 -41.901 1.00 0.00 H new ATOM 0 HB3 TYR A 59 11.801 7.762 -40.709 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.466 5.424 -43.319 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.808 7.674 -41.930 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.878 4.387 -45.040 1.00 0.00 H new ATOM 0 HE2 TYR A 59 15.221 6.639 -43.651 1.00 0.00 H new ATOM 0 HH TYR A 59 15.336 5.223 -45.342 1.00 0.00 H new ATOM 1023 N ASN A 60 10.728 3.905 -40.433 1.00 0.00 N ATOM 1024 CA ASN A 60 11.445 2.739 -39.931 1.00 0.00 C ATOM 1025 C ASN A 60 11.070 1.488 -40.720 1.00 0.00 C ATOM 1026 O ASN A 60 9.891 1.193 -40.915 1.00 0.00 O ATOM 1027 CB ASN A 60 11.143 2.528 -38.446 1.00 0.00 C ATOM 1028 CG ASN A 60 12.113 3.270 -37.547 1.00 0.00 C ATOM 1029 OD1 ASN A 60 13.288 2.916 -37.458 1.00 0.00 O ATOM 1030 ND2 ASN A 60 11.623 4.306 -36.876 1.00 0.00 N ATOM 0 H ASN A 60 9.937 3.685 -41.038 1.00 0.00 H new ATOM 0 HA ASN A 60 12.513 2.919 -40.056 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.127 2.862 -38.234 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.183 1.463 -38.218 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.228 4.844 -36.256 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.642 4.563 -36.981 1.00 0.00 H new ATOM 1037 N LYS A 61 12.082 0.754 -41.171 1.00 0.00 N ATOM 1038 CA LYS A 61 11.861 -0.467 -41.937 1.00 0.00 C ATOM 1039 C LYS A 61 11.869 -1.690 -41.026 1.00 0.00 C ATOM 1040 O LYS A 61 11.257 -2.712 -41.338 1.00 0.00 O ATOM 1041 CB LYS A 61 12.934 -0.616 -43.018 1.00 0.00 C ATOM 1042 CG LYS A 61 12.505 -1.491 -44.183 1.00 0.00 C ATOM 1043 CD LYS A 61 11.484 -0.788 -45.062 1.00 0.00 C ATOM 1044 CE LYS A 61 10.744 -1.773 -45.954 1.00 0.00 C ATOM 1045 NZ LYS A 61 9.741 -1.092 -46.819 1.00 0.00 N ATOM 0 H LYS A 61 13.064 0.984 -41.019 1.00 0.00 H new ATOM 0 HA LYS A 61 10.882 -0.396 -42.412 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.198 0.372 -43.395 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.834 -1.038 -42.570 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.377 -1.758 -44.779 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.081 -2.421 -43.804 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.769 -0.255 -44.436 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.985 -0.042 -45.679 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.460 -2.306 -46.579 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.244 -2.518 -45.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.258 -1.797 -47.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.042 -0.604 -46.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.221 -0.399 -47.428 1.00 0.00 H new ATOM 1059 N ARG A 62 12.564 -1.578 -39.898 1.00 0.00 N ATOM 1060 CA ARG A 62 12.650 -2.675 -38.942 1.00 0.00 C ATOM 1061 C ARG A 62 11.433 -2.691 -38.022 1.00 0.00 C ATOM 1062 O ARG A 62 11.061 -3.735 -37.484 1.00 0.00 O ATOM 1063 CB ARG A 62 13.929 -2.556 -38.111 1.00 0.00 C ATOM 1064 CG ARG A 62 14.087 -1.210 -37.424 1.00 0.00 C ATOM 1065 CD ARG A 62 15.004 -1.305 -36.215 1.00 0.00 C ATOM 1066 NE ARG A 62 14.777 -0.216 -35.269 1.00 0.00 N ATOM 1067 CZ ARG A 62 15.118 1.046 -35.506 1.00 0.00 C ATOM 1068 NH1 ARG A 62 15.698 1.376 -36.652 1.00 0.00 N ATOM 1069 NH2 ARG A 62 14.879 1.981 -34.595 1.00 0.00 N ATOM 0 H ARG A 62 13.075 -0.739 -39.624 1.00 0.00 H new ATOM 0 HA ARG A 62 12.674 -3.610 -39.501 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.936 -3.342 -37.356 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.789 -2.727 -38.758 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.490 -0.485 -38.131 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.109 -0.843 -37.112 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.845 -2.260 -35.714 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.043 -1.288 -36.545 1.00 0.00 H new ATOM 0 HE ARG A 62 14.332 -0.436 -34.378 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.883 0.660 -37.354 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.959 2.346 -36.831 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.433 1.731 -33.712 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.141 2.950 -34.778 1.00 0.00 H new ATOM 1083 N LEU A 63 10.817 -1.527 -37.844 1.00 0.00 N ATOM 1084 CA LEU A 63 9.642 -1.407 -36.988 1.00 0.00 C ATOM 1085 C LEU A 63 8.424 -2.052 -37.642 1.00 0.00 C ATOM 1086 O LEU A 63 7.594 -2.661 -36.966 1.00 0.00 O ATOM 1087 CB LEU A 63 9.354 0.065 -36.688 1.00 0.00 C ATOM 1088 CG LEU A 63 10.221 0.712 -35.607 1.00 0.00 C ATOM 1089 CD1 LEU A 63 9.862 2.181 -35.443 1.00 0.00 C ATOM 1090 CD2 LEU A 63 10.066 -0.028 -34.286 1.00 0.00 C ATOM 0 H LEU A 63 11.112 -0.654 -38.281 1.00 0.00 H new ATOM 0 HA LEU A 63 9.849 -1.929 -36.053 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.474 0.633 -37.610 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.309 0.157 -36.391 1.00 0.00 H new ATOM 0 HG LEU A 63 11.264 0.647 -35.917 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.489 2.625 -34.670 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.025 2.703 -36.386 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.814 2.270 -35.156 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.690 0.446 -33.528 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.023 0.005 -33.970 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.374 -1.066 -34.412 1.00 0.00 H new ATOM 1102 N ASP A 64 8.324 -1.916 -38.959 1.00 0.00 N ATOM 1103 CA ASP A 64 7.209 -2.488 -39.705 1.00 0.00 C ATOM 1104 C ASP A 64 7.407 -3.987 -39.913 1.00 0.00 C ATOM 1105 O ASP A 64 7.717 -4.434 -41.017 1.00 0.00 O ATOM 1106 CB ASP A 64 7.060 -1.789 -41.057 1.00 0.00 C ATOM 1107 CG ASP A 64 5.768 -2.158 -41.760 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.777 -2.457 -41.062 1.00 0.00 O ATOM 1109 OD2 ASP A 64 5.749 -2.150 -43.009 1.00 0.00 O ATOM 0 H ASP A 64 9.002 -1.414 -39.533 1.00 0.00 H new ATOM 0 HA ASP A 64 6.299 -2.336 -39.124 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.095 -0.709 -40.910 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.905 -2.052 -41.694 1.00 0.00 H new ATOM 1114 N GLU A 65 7.227 -4.756 -38.844 1.00 0.00 N ATOM 1115 CA GLU A 65 7.388 -6.204 -38.910 1.00 0.00 C ATOM 1116 C GLU A 65 6.314 -6.909 -38.086 1.00 0.00 C ATOM 1117 O GLU A 65 5.403 -6.270 -37.558 1.00 0.00 O ATOM 1118 CB GLU A 65 8.776 -6.608 -38.411 1.00 0.00 C ATOM 1119 CG GLU A 65 9.909 -5.856 -39.089 1.00 0.00 C ATOM 1120 CD GLU A 65 10.081 -6.248 -40.544 1.00 0.00 C ATOM 1121 OE1 GLU A 65 9.356 -7.155 -41.003 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.940 -5.648 -41.223 1.00 0.00 O ATOM 0 H GLU A 65 6.970 -4.401 -37.923 1.00 0.00 H new ATOM 0 HA GLU A 65 7.281 -6.509 -39.951 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.830 -6.437 -37.336 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.914 -7.677 -38.571 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.718 -4.785 -39.025 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.839 -6.047 -38.553 1.00 0.00 H new ATOM 1129 N TRP A 66 6.428 -8.228 -37.981 1.00 0.00 N ATOM 1130 CA TRP A 66 5.467 -9.020 -37.222 1.00 0.00 C ATOM 1131 C TRP A 66 6.041 -9.419 -35.867 1.00 0.00 C ATOM 1132 O TRP A 66 7.179 -9.881 -35.776 1.00 0.00 O ATOM 1133 CB TRP A 66 5.070 -10.269 -38.010 1.00 0.00 C ATOM 1134 CG TRP A 66 4.270 -9.967 -39.240 1.00 0.00 C ATOM 1135 CD1 TRP A 66 4.720 -9.375 -40.386 1.00 0.00 C ATOM 1136 CD2 TRP A 66 2.879 -10.239 -39.447 1.00 0.00 C ATOM 1137 NE1 TRP A 66 3.693 -9.263 -41.292 1.00 0.00 N ATOM 1138 CE2 TRP A 66 2.554 -9.786 -40.740 1.00 0.00 C ATOM 1139 CE3 TRP A 66 1.878 -10.823 -38.666 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 1.270 -9.899 -41.267 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 0.604 -10.934 -39.190 1.00 0.00 C ATOM 1142 CH2 TRP A 66 0.309 -10.475 -40.481 1.00 0.00 C ATOM 0 H TRP A 66 7.176 -8.772 -38.412 1.00 0.00 H new ATOM 0 HA TRP A 66 4.581 -8.408 -37.054 1.00 0.00 H new ATOM 0 HB2 TRP A 66 5.971 -10.811 -38.296 1.00 0.00 H new ATOM 0 HB3 TRP A 66 4.493 -10.929 -37.363 1.00 0.00 H new ATOM 0 HD1 TRP A 66 5.734 -9.044 -40.555 1.00 0.00 H new ATOM 0 HE1 TRP A 66 3.767 -8.856 -42.224 1.00 0.00 H new ATOM 0 HE3 TRP A 66 2.096 -11.181 -37.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.041 -9.545 -42.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -0.178 -11.382 -38.594 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.696 -10.578 -40.863 1.00 0.00 H new ATOM 1153 N ILE A 67 5.247 -9.239 -34.817 1.00 0.00 N ATOM 1154 CA ILE A 67 5.677 -9.582 -33.467 1.00 0.00 C ATOM 1155 C ILE A 67 4.524 -10.162 -32.654 1.00 0.00 C ATOM 1156 O ILE A 67 3.357 -10.024 -33.023 1.00 0.00 O ATOM 1157 CB ILE A 67 6.244 -8.356 -32.728 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.187 -7.253 -32.637 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.492 -7.844 -33.432 1.00 0.00 C ATOM 1160 CD1 ILE A 67 5.522 -6.178 -31.627 1.00 0.00 C ATOM 0 H ILE A 67 4.303 -8.858 -34.875 1.00 0.00 H new ATOM 0 HA ILE A 67 6.462 -10.331 -33.567 1.00 0.00 H new ATOM 0 HB ILE A 67 6.518 -8.655 -31.716 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.067 -6.794 -33.618 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.228 -7.700 -32.375 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.881 -6.977 -32.898 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.248 -8.629 -33.449 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.242 -7.558 -34.454 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.730 -5.430 -31.616 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.613 -6.625 -30.637 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.465 -5.704 -31.899 1.00 0.00 H new ATOM 1172 N THR A 68 4.859 -10.813 -31.544 1.00 0.00 N ATOM 1173 CA THR A 68 3.853 -11.414 -30.678 1.00 0.00 C ATOM 1174 C THR A 68 3.562 -10.526 -29.473 1.00 0.00 C ATOM 1175 O THR A 68 4.245 -9.527 -29.246 1.00 0.00 O ATOM 1176 CB THR A 68 4.297 -12.803 -30.182 1.00 0.00 C ATOM 1177 OG1 THR A 68 5.535 -12.697 -29.471 1.00 0.00 O ATOM 1178 CG2 THR A 68 4.456 -13.768 -31.347 1.00 0.00 C ATOM 0 H THR A 68 5.820 -10.937 -31.224 1.00 0.00 H new ATOM 0 HA THR A 68 2.947 -11.521 -31.274 1.00 0.00 H new ATOM 0 HB THR A 68 3.527 -13.189 -29.514 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.809 -13.584 -29.158 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.770 -14.742 -30.972 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.504 -13.869 -31.868 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.208 -13.385 -32.037 1.00 0.00 H new ATOM 1186 N THR A 69 2.545 -10.896 -28.703 1.00 0.00 N ATOM 1187 CA THR A 69 2.163 -10.133 -27.521 1.00 0.00 C ATOM 1188 C THR A 69 3.329 -10.007 -26.548 1.00 0.00 C ATOM 1189 O THR A 69 3.394 -9.063 -25.760 1.00 0.00 O ATOM 1190 CB THR A 69 0.970 -10.781 -26.794 1.00 0.00 C ATOM 1191 OG1 THR A 69 0.482 -9.903 -25.774 1.00 0.00 O ATOM 1192 CG2 THR A 69 1.371 -12.112 -26.176 1.00 0.00 C ATOM 0 H THR A 69 1.970 -11.720 -28.876 1.00 0.00 H new ATOM 0 HA THR A 69 1.872 -9.141 -27.866 1.00 0.00 H new ATOM 0 HB THR A 69 0.182 -10.961 -27.525 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.277 -10.322 -25.318 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.512 -12.551 -25.668 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.714 -12.788 -26.959 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.175 -11.952 -25.457 1.00 0.00 H new ATOM 1200 N ASP A 70 4.249 -10.964 -26.607 1.00 0.00 N ATOM 1201 CA ASP A 70 5.415 -10.959 -25.731 1.00 0.00 C ATOM 1202 C ASP A 70 6.180 -9.645 -25.851 1.00 0.00 C ATOM 1203 O ASP A 70 6.861 -9.224 -24.916 1.00 0.00 O ATOM 1204 CB ASP A 70 6.336 -12.133 -26.066 1.00 0.00 C ATOM 1205 CG ASP A 70 7.712 -11.985 -25.447 1.00 0.00 C ATOM 1206 OD1 ASP A 70 7.793 -11.829 -24.211 1.00 0.00 O ATOM 1207 OD2 ASP A 70 8.708 -12.025 -26.199 1.00 0.00 O ATOM 0 H ASP A 70 4.210 -11.753 -27.252 1.00 0.00 H new ATOM 0 HA ASP A 70 5.067 -11.062 -24.703 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.881 -13.059 -25.715 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.435 -12.216 -27.148 1.00 0.00 H new ATOM 1212 N ARG A 71 6.064 -9.003 -27.009 1.00 0.00 N ATOM 1213 CA ARG A 71 6.747 -7.738 -27.253 1.00 0.00 C ATOM 1214 C ARG A 71 5.782 -6.564 -27.118 1.00 0.00 C ATOM 1215 O ARG A 71 6.201 -5.423 -26.924 1.00 0.00 O ATOM 1216 CB ARG A 71 7.378 -7.735 -28.647 1.00 0.00 C ATOM 1217 CG ARG A 71 8.439 -8.806 -28.837 1.00 0.00 C ATOM 1218 CD ARG A 71 9.708 -8.477 -28.066 1.00 0.00 C ATOM 1219 NE ARG A 71 9.661 -8.977 -26.695 1.00 0.00 N ATOM 1220 CZ ARG A 71 10.479 -8.563 -25.733 1.00 0.00 C ATOM 1221 NH1 ARG A 71 11.401 -7.646 -25.992 1.00 0.00 N ATOM 1222 NH2 ARG A 71 10.374 -9.066 -24.510 1.00 0.00 N ATOM 0 H ARG A 71 5.504 -9.338 -27.793 1.00 0.00 H new ATOM 0 HA ARG A 71 7.533 -7.628 -26.505 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.594 -7.876 -29.392 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.823 -6.758 -28.833 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.050 -9.768 -28.505 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.672 -8.905 -29.897 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.567 -8.909 -28.580 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.854 -7.397 -28.053 1.00 0.00 H new ATOM 0 HE ARG A 71 8.962 -9.683 -26.463 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.483 -7.257 -26.931 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.028 -7.330 -25.252 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.665 -9.771 -24.308 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.002 -8.748 -23.772 1.00 0.00 H new ATOM 1236 N ILE A 72 4.489 -6.853 -27.221 1.00 0.00 N ATOM 1237 CA ILE A 72 3.465 -5.822 -27.109 1.00 0.00 C ATOM 1238 C ILE A 72 2.842 -5.814 -25.717 1.00 0.00 C ATOM 1239 O ILE A 72 2.223 -6.791 -25.298 1.00 0.00 O ATOM 1240 CB ILE A 72 2.352 -6.018 -28.156 1.00 0.00 C ATOM 1241 CG1 ILE A 72 2.939 -5.985 -29.569 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.281 -4.950 -27.996 1.00 0.00 C ATOM 1243 CD1 ILE A 72 1.921 -6.264 -30.652 1.00 0.00 C ATOM 0 H ILE A 72 4.126 -7.793 -27.382 1.00 0.00 H new ATOM 0 HA ILE A 72 3.958 -4.867 -27.289 1.00 0.00 H new ATOM 0 HB ILE A 72 1.892 -6.993 -27.997 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.386 -5.007 -29.745 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.741 -6.720 -29.638 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.502 -5.102 -28.743 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.846 -5.017 -26.999 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.727 -3.965 -28.132 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.407 -6.224 -31.627 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.491 -7.254 -30.501 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.130 -5.515 -30.610 1.00 0.00 H new ATOM 1255 N ASN A 73 3.010 -4.704 -25.007 1.00 0.00 N ATOM 1256 CA ASN A 73 2.463 -4.567 -23.661 1.00 0.00 C ATOM 1257 C ASN A 73 0.979 -4.216 -23.710 1.00 0.00 C ATOM 1258 O ASN A 73 0.592 -3.186 -24.265 1.00 0.00 O ATOM 1259 CB ASN A 73 3.228 -3.494 -22.884 1.00 0.00 C ATOM 1260 CG ASN A 73 3.445 -3.876 -21.433 1.00 0.00 C ATOM 1261 OD1 ASN A 73 2.685 -4.661 -20.865 1.00 0.00 O ATOM 1262 ND2 ASN A 73 4.486 -3.319 -20.824 1.00 0.00 N ATOM 0 H ASN A 73 3.520 -3.886 -25.340 1.00 0.00 H new ATOM 0 HA ASN A 73 2.575 -5.524 -23.151 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.193 -3.323 -23.360 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.679 -2.554 -22.931 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.682 -3.537 -19.847 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.090 -2.674 -21.334 1.00 0.00 H new ATOM 1269 N LEU A 74 0.153 -5.077 -23.126 1.00 0.00 N ATOM 1270 CA LEU A 74 -1.289 -4.858 -23.102 1.00 0.00 C ATOM 1271 C LEU A 74 -1.671 -3.865 -22.009 1.00 0.00 C ATOM 1272 O LEU A 74 -1.994 -2.711 -22.290 1.00 0.00 O ATOM 1273 CB LEU A 74 -2.022 -6.182 -22.883 1.00 0.00 C ATOM 1274 CG LEU A 74 -2.500 -6.902 -24.145 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -3.455 -6.018 -24.934 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -1.315 -7.312 -25.007 1.00 0.00 C ATOM 0 H LEU A 74 0.457 -5.933 -22.663 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.584 -4.441 -24.065 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.362 -6.853 -22.334 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.887 -5.994 -22.246 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.035 -7.803 -23.845 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.785 -6.546 -25.828 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.320 -5.775 -24.317 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.945 -5.099 -25.223 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.674 -7.823 -25.900 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.752 -6.425 -25.298 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.668 -7.982 -24.441 1.00 0.00 H new