USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 19 HIS : no HE2:sc= -16.7! C(o=-22!,f=-22!) USER MOD Set 1.2: A 21 MET CE :methyl -122:sc= -4.18! (180deg=-0.829) USER MOD Set 1.3: A 87 HIS : no HD1:sc= -0.697 X(o=-22,f=-21) USER MOD Set 2.1: A 62 THR OG1 : rot -84:sc= -1.03! USER MOD Set 2.2: A 66 GLN : amide:sc= -0.082! C(o=-1.1!,f=-2.5!) USER MOD Set 3.1: A 24 GLN :FLIP amide:sc= -0.465 F(o=-3.2,f=-1.7) USER MOD Set 3.2: A 53 ASN : amide:sc= -1.28 K(o=-1.7,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.551 K(o=-0.55,f=-5.3!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.115 K(o=-0.11,f=-2.7!) USER MOD Single : A 35 GLN : amide:sc= -0.795 K(o=-0.8,f=-3.5!) USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.35! C(o=-2.4!,f=-2.4!) USER MOD Single : A 46 HIS : no HE2:sc= -3.63! C(o=-3.6!,f=-6.6!) USER MOD Single : A 50 ASN : amide:sc= -0.0742 X(o=-0.074,f=-0.088) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= -2.53 (180deg=-2.53) USER MOD Single : A 61 THR OG1 : rot -24:sc= 0.566 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -43:sc= 0.322 USER MOD Single : A 74 THR OG1 : rot 1:sc= 0.0746 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 156:sc= -0.0438 (180deg=-0.0549) USER MOD ----------------------------------------------------------------- ATOM 205 N ARG A 16 -4.765 9.684 -3.252 1.00 0.00 N ATOM 206 CA ARG A 16 -4.364 8.293 -3.432 1.00 0.00 C ATOM 207 C ARG A 16 -3.247 7.920 -2.461 1.00 0.00 C ATOM 208 O ARG A 16 -2.097 8.323 -2.637 1.00 0.00 O ATOM 209 CB ARG A 16 -3.904 8.055 -4.872 1.00 0.00 C ATOM 210 CG ARG A 16 -4.572 8.972 -5.884 1.00 0.00 C ATOM 211 CD ARG A 16 -3.910 10.341 -5.916 1.00 0.00 C ATOM 212 NE ARG A 16 -4.857 11.413 -5.622 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.558 12.704 -5.713 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.343 13.081 -6.088 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.474 13.621 -5.429 1.00 0.00 N ATOM 0 HA ARG A 16 -5.228 7.662 -3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.824 8.193 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.108 7.019 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.523 8.520 -6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.628 9.083 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.096 10.367 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.468 10.507 -6.898 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.800 11.156 -5.331 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.636 12.379 -6.307 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.115 14.073 -6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.410 13.335 -5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.243 14.612 -5.499 1.00 0.00 H new ATOM 229 N VAL A 17 -3.593 7.147 -1.438 1.00 0.00 N ATOM 230 CA VAL A 17 -2.621 6.718 -0.440 1.00 0.00 C ATOM 231 C VAL A 17 -2.867 5.273 -0.018 1.00 0.00 C ATOM 232 O VAL A 17 -3.715 5.000 0.832 1.00 0.00 O ATOM 233 CB VAL A 17 -2.662 7.619 0.808 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.726 7.087 1.883 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.304 9.052 0.440 1.00 0.00 C ATOM 0 H VAL A 17 -4.540 6.804 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.637 6.796 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.676 7.611 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.769 7.737 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.031 6.079 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.706 7.063 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.338 9.676 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.300 9.079 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.018 9.429 -0.293 1.00 0.00 H new ATOM 245 N VAL A 18 -2.120 4.352 -0.617 1.00 0.00 N ATOM 246 CA VAL A 18 -2.255 2.934 -0.302 1.00 0.00 C ATOM 247 C VAL A 18 -1.333 2.536 0.845 1.00 0.00 C ATOM 248 O VAL A 18 -0.121 2.411 0.666 1.00 0.00 O ATOM 249 CB VAL A 18 -1.942 2.055 -1.527 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.734 2.594 -2.277 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.717 0.611 -1.103 1.00 0.00 C ATOM 0 H VAL A 18 -1.415 4.562 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.291 2.773 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.799 2.082 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.528 1.960 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.939 3.610 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.132 2.599 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.497 0.004 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.878 0.562 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.614 0.231 -0.615 1.00 0.00 H new ATOM 261 N HIS A 19 -1.915 2.337 2.023 1.00 0.00 N ATOM 262 CA HIS A 19 -1.146 1.950 3.200 1.00 0.00 C ATOM 263 C HIS A 19 -0.897 0.445 3.217 1.00 0.00 C ATOM 264 O HIS A 19 -1.809 -0.347 2.979 1.00 0.00 O ATOM 265 CB HIS A 19 -1.877 2.373 4.475 1.00 0.00 C ATOM 266 CG HIS A 19 -1.254 1.837 5.728 1.00 0.00 C ATOM 267 ND1 HIS A 19 -1.992 1.349 6.786 1.00 0.00 N ATOM 268 CD2 HIS A 19 0.045 1.714 6.089 1.00 0.00 C ATOM 269 CE1 HIS A 19 -1.174 0.950 7.743 1.00 0.00 C ATOM 270 NE2 HIS A 19 0.068 1.160 7.344 1.00 0.00 N ATOM 0 H HIS A 19 -2.917 2.437 2.188 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.183 2.458 3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.900 3.462 4.527 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.912 2.035 4.420 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -3.010 1.303 6.823 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.903 1.999 5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.470 0.524 8.691 1.00 0.00 H new ATOM 278 N ILE A 20 0.343 0.058 3.498 1.00 0.00 N ATOM 279 CA ILE A 20 0.710 -1.352 3.545 1.00 0.00 C ATOM 280 C ILE A 20 1.490 -1.674 4.815 1.00 0.00 C ATOM 281 O ILE A 20 2.439 -0.973 5.167 1.00 0.00 O ATOM 282 CB ILE A 20 1.553 -1.756 2.321 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.883 -1.277 1.032 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.755 -3.263 2.292 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.844 -0.650 0.047 1.00 0.00 C ATOM 0 H ILE A 20 1.110 0.701 3.696 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.220 -1.921 3.538 1.00 0.00 H new ATOM 0 HB ILE A 20 2.530 -1.280 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.387 -2.122 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.108 -0.552 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.353 -3.533 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.271 -3.578 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.786 -3.759 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.299 -0.334 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.322 0.215 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.605 -1.379 -0.233 1.00 0.00 H new ATOM 297 N MET A 21 1.087 -2.740 5.497 1.00 0.00 N ATOM 298 CA MET A 21 1.751 -3.157 6.727 1.00 0.00 C ATOM 299 C MET A 21 2.048 -4.653 6.703 1.00 0.00 C ATOM 300 O MET A 21 1.765 -5.337 5.720 1.00 0.00 O ATOM 301 CB MET A 21 0.884 -2.817 7.941 1.00 0.00 C ATOM 302 CG MET A 21 -0.016 -1.611 7.727 1.00 0.00 C ATOM 303 SD MET A 21 -1.748 -2.066 7.514 1.00 0.00 S ATOM 304 CE MET A 21 -2.093 -1.345 5.911 1.00 0.00 C ATOM 0 H MET A 21 0.304 -3.331 5.219 1.00 0.00 H new ATOM 0 HA MET A 21 2.695 -2.617 6.802 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.267 -3.681 8.190 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.531 -2.630 8.798 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.077 -0.938 8.579 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.322 -1.062 6.848 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.918 -0.638 6.000 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.207 -0.825 5.548 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.365 -2.133 5.208 1.00 0.00 H new ATOM 314 N ASP A 22 2.623 -5.154 7.791 1.00 0.00 N ATOM 315 CA ASP A 22 2.960 -6.570 7.895 1.00 0.00 C ATOM 316 C ASP A 22 4.040 -6.947 6.886 1.00 0.00 C ATOM 317 O ASP A 22 4.390 -8.119 6.744 1.00 0.00 O ATOM 318 CB ASP A 22 1.714 -7.429 7.672 1.00 0.00 C ATOM 319 CG ASP A 22 1.095 -7.898 8.974 1.00 0.00 C ATOM 320 OD1 ASP A 22 0.252 -7.163 9.529 1.00 0.00 O ATOM 321 OD2 ASP A 22 1.453 -9.001 9.439 1.00 0.00 O ATOM 0 H ASP A 22 2.866 -4.601 8.613 1.00 0.00 H new ATOM 0 HA ASP A 22 3.345 -6.755 8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.977 -6.857 7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.977 -8.295 7.065 1.00 0.00 H new ATOM 326 N PHE A 23 4.565 -5.946 6.186 1.00 0.00 N ATOM 327 CA PHE A 23 5.604 -6.173 5.189 1.00 0.00 C ATOM 328 C PHE A 23 6.992 -6.029 5.808 1.00 0.00 C ATOM 329 O PHE A 23 7.240 -5.117 6.594 1.00 0.00 O ATOM 330 CB PHE A 23 5.448 -5.191 4.026 1.00 0.00 C ATOM 331 CG PHE A 23 5.859 -3.787 4.368 1.00 0.00 C ATOM 332 CD1 PHE A 23 4.943 -2.889 4.890 1.00 0.00 C ATOM 333 CD2 PHE A 23 7.165 -3.366 4.167 1.00 0.00 C ATOM 334 CE1 PHE A 23 5.320 -1.597 5.204 1.00 0.00 C ATOM 335 CE2 PHE A 23 7.547 -2.075 4.480 1.00 0.00 C ATOM 336 CZ PHE A 23 6.623 -1.190 5.000 1.00 0.00 C ATOM 0 H PHE A 23 4.288 -4.970 6.291 1.00 0.00 H new ATOM 0 HA PHE A 23 5.496 -7.190 4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.044 -5.541 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.408 -5.188 3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.922 -3.202 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.892 -4.054 3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.595 -0.906 5.609 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.567 -1.759 4.318 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.919 -0.181 5.247 1.00 0.00 H new ATOM 346 N GLN A 24 7.891 -6.939 5.445 1.00 0.00 N ATOM 347 CA GLN A 24 9.253 -6.916 5.965 1.00 0.00 C ATOM 348 C GLN A 24 10.195 -6.219 4.990 1.00 0.00 C ATOM 349 O GLN A 24 9.783 -5.788 3.914 1.00 0.00 O ATOM 350 CB GLN A 24 9.742 -8.339 6.238 1.00 0.00 C ATOM 351 CG GLN A 24 8.971 -9.047 7.340 1.00 0.00 C ATOM 352 CD GLN A 24 9.137 -8.378 8.690 1.00 0.00 C ATOM 353 OE1 GLN A 24 8.021 -8.080 9.344 1.00 0.00 O flip ATOM 354 NE2 GLN A 24 10.256 -8.133 9.140 1.00 0.00 N flip ATOM 0 H GLN A 24 7.701 -7.700 4.794 1.00 0.00 H new ATOM 0 HA GLN A 24 9.249 -6.357 6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.666 -8.923 5.320 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.797 -8.306 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.913 -9.073 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.308 -10.081 7.407 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.087 -8.380 8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.352 -7.683 10.050 1.00 0.00 H new ATOM 363 N ARG A 25 11.464 -6.112 5.374 1.00 0.00 N ATOM 364 CA ARG A 25 12.465 -5.466 4.534 1.00 0.00 C ATOM 365 C ARG A 25 13.604 -6.428 4.209 1.00 0.00 C ATOM 366 O ARG A 25 13.715 -7.499 4.803 1.00 0.00 O ATOM 367 CB ARG A 25 13.017 -4.219 5.228 1.00 0.00 C ATOM 368 CG ARG A 25 11.938 -3.274 5.730 1.00 0.00 C ATOM 369 CD ARG A 25 12.351 -1.819 5.563 1.00 0.00 C ATOM 370 NE ARG A 25 12.485 -1.137 6.847 1.00 0.00 N ATOM 371 CZ ARG A 25 13.587 -1.174 7.588 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.646 -1.856 7.172 1.00 0.00 N ATOM 373 NH2 ARG A 25 13.632 -0.528 8.746 1.00 0.00 N ATOM 0 H ARG A 25 11.822 -6.465 6.262 1.00 0.00 H new ATOM 0 HA ARG A 25 11.985 -5.171 3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.639 -4.527 6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.663 -3.683 4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.011 -3.455 5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.735 -3.477 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.298 -1.771 5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.612 -1.300 4.952 1.00 0.00 H new ATOM 0 HE ARG A 25 11.689 -0.603 7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.615 -2.353 6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.491 -1.883 7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.820 -0.002 9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.479 -0.557 9.314 1.00 0.00 H new ATOM 387 N GLY A 26 14.451 -6.035 3.262 1.00 0.00 N ATOM 388 CA GLY A 26 15.570 -6.874 2.874 1.00 0.00 C ATOM 389 C GLY A 26 16.226 -6.408 1.589 1.00 0.00 C ATOM 390 O GLY A 26 16.896 -5.375 1.565 1.00 0.00 O ATOM 0 H GLY A 26 14.382 -5.151 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.310 -6.881 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.225 -7.901 2.751 1.00 0.00 H new ATOM 394 N LYS A 27 16.036 -7.171 0.519 1.00 0.00 N ATOM 395 CA LYS A 27 16.614 -6.832 -0.776 1.00 0.00 C ATOM 396 C LYS A 27 15.523 -6.492 -1.786 1.00 0.00 C ATOM 397 O LYS A 27 14.643 -7.306 -2.061 1.00 0.00 O ATOM 398 CB LYS A 27 17.463 -7.993 -1.298 1.00 0.00 C ATOM 399 CG LYS A 27 16.718 -9.315 -1.356 1.00 0.00 C ATOM 400 CD LYS A 27 17.515 -10.435 -0.710 1.00 0.00 C ATOM 401 CE LYS A 27 16.662 -11.677 -0.498 1.00 0.00 C ATOM 402 NZ LYS A 27 17.286 -12.887 -1.099 1.00 0.00 N ATOM 0 H LYS A 27 15.485 -8.030 0.523 1.00 0.00 H new ATOM 0 HA LYS A 27 17.249 -5.956 -0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.826 -7.746 -2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.339 -8.107 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.757 -9.214 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.508 -9.570 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.371 -10.683 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.910 -10.096 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.513 -11.837 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.677 -11.520 -0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.674 -13.712 -0.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.405 -12.744 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.215 -13.052 -0.662 1.00 0.00 H new ATOM 416 N ASN A 28 15.589 -5.284 -2.337 1.00 0.00 N ATOM 417 CA ASN A 28 14.607 -4.837 -3.319 1.00 0.00 C ATOM 418 C ASN A 28 13.218 -4.744 -2.695 1.00 0.00 C ATOM 419 O ASN A 28 12.208 -4.967 -3.364 1.00 0.00 O ATOM 420 CB ASN A 28 14.579 -5.790 -4.514 1.00 0.00 C ATOM 421 CG ASN A 28 15.957 -6.016 -5.106 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.872 -6.474 -4.421 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.110 -5.694 -6.385 1.00 0.00 N ATOM 0 H ASN A 28 16.312 -4.598 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 28 14.899 -3.845 -3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.159 -6.746 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.919 -5.387 -5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.014 -5.823 -6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.323 -5.317 -6.914 1.00 0.00 H new ATOM 430 N LEU A 29 13.173 -4.413 -1.408 1.00 0.00 N ATOM 431 CA LEU A 29 11.908 -4.290 -0.694 1.00 0.00 C ATOM 432 C LEU A 29 11.039 -3.198 -1.309 1.00 0.00 C ATOM 433 O LEU A 29 9.914 -3.457 -1.739 1.00 0.00 O ATOM 434 CB LEU A 29 12.163 -3.981 0.783 1.00 0.00 C ATOM 435 CG LEU A 29 10.941 -3.560 1.601 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.555 -2.124 1.280 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.774 -4.500 1.339 1.00 0.00 C ATOM 0 H LEU A 29 13.998 -4.225 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 29 11.379 -5.239 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.600 -4.865 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.907 -3.187 0.844 1.00 0.00 H new ATOM 0 HG LEU A 29 11.197 -3.619 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.684 -1.841 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.387 -1.461 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.317 -2.039 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.914 -4.185 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.517 -4.474 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.055 -5.515 1.620 1.00 0.00 H new ATOM 449 N ARG A 30 11.567 -1.980 -1.352 1.00 0.00 N ATOM 450 CA ARG A 30 10.840 -0.851 -1.917 1.00 0.00 C ATOM 451 C ARG A 30 10.106 -1.258 -3.190 1.00 0.00 C ATOM 452 O ARG A 30 9.062 -0.698 -3.524 1.00 0.00 O ATOM 453 CB ARG A 30 11.799 0.303 -2.215 1.00 0.00 C ATOM 454 CG ARG A 30 11.177 1.414 -3.045 1.00 0.00 C ATOM 455 CD ARG A 30 12.238 2.312 -3.661 1.00 0.00 C ATOM 456 NE ARG A 30 12.476 1.994 -5.066 1.00 0.00 N ATOM 457 CZ ARG A 30 13.311 2.675 -5.843 1.00 0.00 C ATOM 458 NH1 ARG A 30 13.986 3.706 -5.352 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.474 2.325 -7.112 1.00 0.00 N ATOM 0 H ARG A 30 12.497 -1.750 -1.002 1.00 0.00 H new ATOM 0 HA ARG A 30 10.104 -0.522 -1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.155 0.721 -1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.671 -0.087 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.564 0.980 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.514 2.010 -2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.927 3.353 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.169 2.209 -3.103 1.00 0.00 H new ATOM 0 HE ARG A 30 11.973 1.205 -5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.864 3.977 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.627 4.228 -5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.958 1.532 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.116 2.849 -7.707 1.00 0.00 H new ATOM 473 N TYR A 31 10.659 -2.237 -3.898 1.00 0.00 N ATOM 474 CA TYR A 31 10.059 -2.719 -5.137 1.00 0.00 C ATOM 475 C TYR A 31 8.903 -3.670 -4.848 1.00 0.00 C ATOM 476 O TYR A 31 7.870 -3.628 -5.515 1.00 0.00 O ATOM 477 CB TYR A 31 11.110 -3.421 -5.998 1.00 0.00 C ATOM 478 CG TYR A 31 10.520 -4.293 -7.083 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.170 -5.613 -6.826 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.312 -3.798 -8.364 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.631 -6.414 -7.814 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.772 -4.591 -9.358 1.00 0.00 C ATOM 483 CZ TYR A 31 9.433 -5.898 -9.078 1.00 0.00 C ATOM 484 OH TYR A 31 8.897 -6.692 -10.066 1.00 0.00 O ATOM 0 H TYR A 31 11.522 -2.713 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 31 9.670 -1.859 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.753 -2.669 -6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.744 -4.033 -5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.322 -6.020 -5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.577 -2.775 -8.587 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.366 -7.439 -7.598 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.616 -4.190 -10.349 1.00 0.00 H new ATOM 0 HH TYR A 31 8.822 -6.176 -10.896 1.00 0.00 H new ATOM 494 N GLN A 32 9.086 -4.527 -3.848 1.00 0.00 N ATOM 495 CA GLN A 32 8.058 -5.490 -3.470 1.00 0.00 C ATOM 496 C GLN A 32 6.751 -4.782 -3.122 1.00 0.00 C ATOM 497 O GLN A 32 5.665 -5.322 -3.336 1.00 0.00 O ATOM 498 CB GLN A 32 8.529 -6.330 -2.283 1.00 0.00 C ATOM 499 CG GLN A 32 9.832 -7.069 -2.539 1.00 0.00 C ATOM 500 CD GLN A 32 9.656 -8.575 -2.561 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.778 -9.118 -1.891 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.492 -9.257 -3.334 1.00 0.00 N ATOM 0 H GLN A 32 9.936 -4.574 -3.286 1.00 0.00 H new ATOM 0 HA GLN A 32 7.879 -6.146 -4.322 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.653 -5.681 -1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.754 -7.054 -2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.249 -6.742 -3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.554 -6.803 -1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.205 -8.765 -3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.421 -10.273 -3.390 1.00 0.00 H new ATOM 511 N LEU A 33 6.864 -3.573 -2.584 1.00 0.00 N ATOM 512 CA LEU A 33 5.691 -2.792 -2.206 1.00 0.00 C ATOM 513 C LEU A 33 5.148 -2.013 -3.399 1.00 0.00 C ATOM 514 O LEU A 33 3.937 -1.947 -3.612 1.00 0.00 O ATOM 515 CB LEU A 33 6.042 -1.830 -1.069 1.00 0.00 C ATOM 516 CG LEU A 33 6.566 -2.471 0.216 1.00 0.00 C ATOM 517 CD1 LEU A 33 7.007 -1.402 1.204 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.505 -3.368 0.836 1.00 0.00 C ATOM 0 H LEU A 33 7.755 -3.112 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 33 4.918 -3.481 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.792 -1.128 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.153 -1.249 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 33 7.431 -3.085 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.377 -1.877 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.800 -0.801 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.160 -0.761 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.896 -3.816 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.620 -2.776 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.238 -4.156 0.132 1.00 0.00 H new ATOM 530 N LEU A 34 6.051 -1.423 -4.175 1.00 0.00 N ATOM 531 CA LEU A 34 5.663 -0.650 -5.349 1.00 0.00 C ATOM 532 C LEU A 34 5.117 -1.560 -6.445 1.00 0.00 C ATOM 533 O LEU A 34 4.334 -1.128 -7.290 1.00 0.00 O ATOM 534 CB LEU A 34 6.859 0.145 -5.878 1.00 0.00 C ATOM 535 CG LEU A 34 7.354 1.284 -4.987 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.711 1.781 -5.462 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.345 2.423 -4.966 1.00 0.00 C ATOM 0 H LEU A 34 7.057 -1.465 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 34 4.876 0.043 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.685 -0.546 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.593 0.560 -6.850 1.00 0.00 H new ATOM 0 HG LEU A 34 7.463 0.904 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.048 2.592 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.431 0.964 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.627 2.144 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.715 3.225 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.203 2.802 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.394 2.059 -4.578 1.00 0.00 H new ATOM 549 N GLN A 35 5.536 -2.821 -6.423 1.00 0.00 N ATOM 550 CA GLN A 35 5.088 -3.792 -7.414 1.00 0.00 C ATOM 551 C GLN A 35 3.622 -4.151 -7.200 1.00 0.00 C ATOM 552 O GLN A 35 2.994 -4.781 -8.052 1.00 0.00 O ATOM 553 CB GLN A 35 5.950 -5.055 -7.347 1.00 0.00 C ATOM 554 CG GLN A 35 5.529 -6.022 -6.253 1.00 0.00 C ATOM 555 CD GLN A 35 4.804 -7.238 -6.794 1.00 0.00 C ATOM 556 OE1 GLN A 35 3.768 -7.643 -6.268 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.349 -7.828 -7.852 1.00 0.00 N ATOM 0 H GLN A 35 6.185 -3.194 -5.730 1.00 0.00 H new ATOM 0 HA GLN A 35 5.192 -3.341 -8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.906 -5.566 -8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.989 -4.767 -7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.411 -6.346 -5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.882 -5.504 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.209 -7.458 -8.256 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.907 -8.651 -8.261 1.00 0.00 H new ATOM 566 N LEU A 36 3.080 -3.747 -6.056 1.00 0.00 N ATOM 567 CA LEU A 36 1.686 -4.026 -5.729 1.00 0.00 C ATOM 568 C LEU A 36 0.761 -2.985 -6.351 1.00 0.00 C ATOM 569 O LEU A 36 -0.454 -3.176 -6.413 1.00 0.00 O ATOM 570 CB LEU A 36 1.493 -4.054 -4.211 1.00 0.00 C ATOM 571 CG LEU A 36 2.402 -5.008 -3.437 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.324 -4.726 -1.944 1.00 0.00 C ATOM 573 CD2 LEU A 36 2.031 -6.455 -3.728 1.00 0.00 C ATOM 0 H LEU A 36 3.585 -3.225 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 36 1.431 -5.003 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.647 -3.046 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.457 -4.321 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 36 3.429 -4.845 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.978 -5.415 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.640 -3.701 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.298 -4.860 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.689 -7.119 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.998 -6.633 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.140 -6.651 -4.795 1.00 0.00 H new ATOM 585 N VAL A 37 1.345 -1.885 -6.814 1.00 0.00 N ATOM 586 CA VAL A 37 0.574 -0.815 -7.436 1.00 0.00 C ATOM 587 C VAL A 37 1.099 -0.498 -8.831 1.00 0.00 C ATOM 588 O VAL A 37 0.374 0.034 -9.672 1.00 0.00 O ATOM 589 CB VAL A 37 0.607 0.469 -6.585 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.192 0.169 -5.151 1.00 0.00 C ATOM 591 CG2 VAL A 37 1.990 1.100 -6.626 1.00 0.00 C ATOM 0 H VAL A 37 2.349 -1.711 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.454 -1.169 -7.509 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.105 1.180 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.221 1.087 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.820 -0.235 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.878 -0.560 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.995 2.006 -6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.723 0.396 -6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.245 1.351 -7.656 1.00 0.00 H new ATOM 601 N GLU A 38 2.364 -0.830 -9.072 1.00 0.00 N ATOM 602 CA GLU A 38 2.986 -0.580 -10.366 1.00 0.00 C ATOM 603 C GLU A 38 2.072 -1.026 -11.504 1.00 0.00 C ATOM 604 O GLU A 38 1.652 -0.230 -12.344 1.00 0.00 O ATOM 605 CB GLU A 38 4.329 -1.309 -10.460 1.00 0.00 C ATOM 606 CG GLU A 38 5.522 -0.374 -10.572 1.00 0.00 C ATOM 607 CD GLU A 38 6.233 -0.491 -11.906 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.675 -0.017 -12.918 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.346 -1.056 -11.939 1.00 0.00 O ATOM 0 H GLU A 38 2.977 -1.273 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 38 3.155 0.493 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.453 -1.939 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.314 -1.971 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.187 0.654 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.226 -0.592 -9.769 1.00 0.00 H new ATOM 616 N PRO A 39 1.758 -2.330 -11.533 1.00 0.00 N ATOM 617 CA PRO A 39 0.891 -2.912 -12.562 1.00 0.00 C ATOM 618 C PRO A 39 -0.560 -2.464 -12.420 1.00 0.00 C ATOM 619 O PRO A 39 -1.427 -2.883 -13.186 1.00 0.00 O ATOM 620 CB PRO A 39 1.012 -4.417 -12.317 1.00 0.00 C ATOM 621 CG PRO A 39 1.379 -4.540 -10.879 1.00 0.00 C ATOM 622 CD PRO A 39 2.223 -3.335 -10.563 1.00 0.00 C ATOM 0 HA PRO A 39 1.186 -2.604 -13.565 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.074 -4.929 -12.531 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.772 -4.862 -12.959 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.489 -4.569 -10.250 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.930 -5.462 -10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.077 -3.000 -9.536 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.286 -3.546 -10.681 1.00 0.00 H new ATOM 630 N PHE A 40 -0.816 -1.610 -11.434 1.00 0.00 N ATOM 631 CA PHE A 40 -2.163 -1.105 -11.190 1.00 0.00 C ATOM 632 C PHE A 40 -2.291 0.346 -11.645 1.00 0.00 C ATOM 633 O PHE A 40 -3.392 0.838 -11.883 1.00 0.00 O ATOM 634 CB PHE A 40 -2.513 -1.220 -9.705 1.00 0.00 C ATOM 635 CG PHE A 40 -2.689 -2.637 -9.238 1.00 0.00 C ATOM 636 CD1 PHE A 40 -3.920 -3.265 -9.338 1.00 0.00 C ATOM 637 CD2 PHE A 40 -1.624 -3.340 -8.700 1.00 0.00 C ATOM 638 CE1 PHE A 40 -4.086 -4.568 -8.909 1.00 0.00 C ATOM 639 CE2 PHE A 40 -1.783 -4.644 -8.270 1.00 0.00 C ATOM 640 CZ PHE A 40 -3.016 -5.259 -8.374 1.00 0.00 C ATOM 0 H PHE A 40 -0.109 -1.253 -10.791 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.861 -1.711 -11.768 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.726 -0.747 -9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.432 -0.666 -9.513 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.760 -2.730 -9.756 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.658 -2.864 -8.615 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.051 -5.046 -8.992 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.944 -5.182 -7.853 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.143 -6.277 -8.038 1.00 0.00 H new ATOM 650 N GLY A 41 -1.153 1.025 -11.760 1.00 0.00 N ATOM 651 CA GLY A 41 -1.159 2.413 -12.184 1.00 0.00 C ATOM 652 C GLY A 41 0.234 3.008 -12.237 1.00 0.00 C ATOM 653 O GLY A 41 1.215 2.295 -12.454 1.00 0.00 O ATOM 0 H GLY A 41 -0.229 0.639 -11.567 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.620 2.487 -13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.774 2.996 -11.499 1.00 0.00 H new ATOM 657 N VAL A 42 0.324 4.320 -12.041 1.00 0.00 N ATOM 658 CA VAL A 42 1.607 5.011 -12.068 1.00 0.00 C ATOM 659 C VAL A 42 2.036 5.429 -10.667 1.00 0.00 C ATOM 660 O VAL A 42 1.200 5.721 -9.811 1.00 0.00 O ATOM 661 CB VAL A 42 1.553 6.260 -12.969 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.220 6.975 -12.811 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.711 7.195 -12.653 1.00 0.00 C ATOM 0 H VAL A 42 -0.477 4.925 -11.862 1.00 0.00 H new ATOM 0 HA VAL A 42 2.335 4.309 -12.474 1.00 0.00 H new ATOM 0 HB VAL A 42 1.646 5.942 -14.008 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.200 7.854 -13.455 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.590 6.301 -13.092 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.093 7.282 -11.773 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.657 8.072 -13.298 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.652 7.508 -11.611 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.654 6.676 -12.823 1.00 0.00 H new ATOM 673 N ILE A 43 3.346 5.454 -10.437 1.00 0.00 N ATOM 674 CA ILE A 43 3.886 5.837 -9.140 1.00 0.00 C ATOM 675 C ILE A 43 4.156 7.336 -9.077 1.00 0.00 C ATOM 676 O ILE A 43 4.949 7.868 -9.854 1.00 0.00 O ATOM 677 CB ILE A 43 5.190 5.079 -8.827 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.060 3.609 -9.232 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.530 5.199 -7.349 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.120 2.819 -8.350 1.00 0.00 C ATOM 0 H ILE A 43 4.052 5.213 -11.133 1.00 0.00 H new ATOM 0 HA ILE A 43 3.134 5.574 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 43 6.000 5.525 -9.404 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.710 3.554 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.046 3.145 -9.205 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.454 4.658 -7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.659 6.250 -7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.721 4.775 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.078 1.786 -8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.480 2.842 -7.322 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.123 3.258 -8.395 1.00 0.00 H new ATOM 692 N SER A 44 3.492 8.013 -8.146 1.00 0.00 N ATOM 693 CA SER A 44 3.658 9.453 -7.982 1.00 0.00 C ATOM 694 C SER A 44 4.645 9.762 -6.862 1.00 0.00 C ATOM 695 O SER A 44 5.492 10.646 -6.992 1.00 0.00 O ATOM 696 CB SER A 44 2.310 10.113 -7.686 1.00 0.00 C ATOM 697 OG SER A 44 1.858 10.871 -8.795 1.00 0.00 O ATOM 0 H SER A 44 2.834 7.588 -7.493 1.00 0.00 H new ATOM 0 HA SER A 44 4.055 9.856 -8.914 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.573 9.348 -7.440 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.402 10.759 -6.813 1.00 0.00 H new ATOM 0 HG SER A 44 1.081 11.407 -8.530 1.00 0.00 H new ATOM 703 N ASN A 45 4.531 9.027 -5.761 1.00 0.00 N ATOM 704 CA ASN A 45 5.414 9.222 -4.616 1.00 0.00 C ATOM 705 C ASN A 45 5.124 8.195 -3.525 1.00 0.00 C ATOM 706 O ASN A 45 3.978 8.022 -3.108 1.00 0.00 O ATOM 707 CB ASN A 45 5.251 10.637 -4.056 1.00 0.00 C ATOM 708 CG ASN A 45 6.244 11.613 -4.655 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.452 11.381 -4.628 1.00 0.00 O ATOM 710 ND2 ASN A 45 5.736 12.713 -5.200 1.00 0.00 N ATOM 0 H ASN A 45 3.836 8.291 -5.637 1.00 0.00 H new ATOM 0 HA ASN A 45 6.442 9.088 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.238 10.988 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.377 10.613 -2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.355 13.407 -5.619 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.727 12.863 -5.199 1.00 0.00 H new ATOM 717 N HIS A 46 6.171 7.516 -3.067 1.00 0.00 N ATOM 718 CA HIS A 46 6.031 6.506 -2.024 1.00 0.00 C ATOM 719 C HIS A 46 6.858 6.874 -0.796 1.00 0.00 C ATOM 720 O HIS A 46 7.809 7.653 -0.886 1.00 0.00 O ATOM 721 CB HIS A 46 6.458 5.136 -2.549 1.00 0.00 C ATOM 722 CG HIS A 46 7.943 4.942 -2.576 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.809 5.837 -3.167 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.714 3.947 -2.078 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.049 5.401 -3.033 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.019 4.256 -2.375 1.00 0.00 N ATOM 0 H HIS A 46 7.126 7.647 -3.402 1.00 0.00 H new ATOM 0 HA HIS A 46 4.981 6.464 -1.734 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.010 4.362 -1.927 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.064 5.003 -3.557 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.535 6.701 -3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.368 3.073 -1.546 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.936 5.896 -3.399 1.00 0.00 H new ATOM 734 N LEU A 47 6.492 6.311 0.350 1.00 0.00 N ATOM 735 CA LEU A 47 7.200 6.581 1.596 1.00 0.00 C ATOM 736 C LEU A 47 7.361 5.305 2.417 1.00 0.00 C ATOM 737 O LEU A 47 6.398 4.570 2.635 1.00 0.00 O ATOM 738 CB LEU A 47 6.452 7.636 2.413 1.00 0.00 C ATOM 739 CG LEU A 47 6.929 7.832 3.853 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.435 9.162 4.402 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.459 6.682 4.732 1.00 0.00 C ATOM 0 H LEU A 47 5.709 5.664 0.442 1.00 0.00 H new ATOM 0 HA LEU A 47 8.192 6.960 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.528 8.591 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.396 7.368 2.435 1.00 0.00 H new ATOM 0 HG LEU A 47 8.019 7.843 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.784 9.284 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.821 9.975 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.345 9.181 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.808 6.838 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.370 6.639 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.862 5.744 4.350 1.00 0.00 H new ATOM 753 N ILE A 48 8.584 5.052 2.872 1.00 0.00 N ATOM 754 CA ILE A 48 8.869 3.867 3.672 1.00 0.00 C ATOM 755 C ILE A 48 9.653 4.229 4.930 1.00 0.00 C ATOM 756 O ILE A 48 10.846 4.527 4.867 1.00 0.00 O ATOM 757 CB ILE A 48 9.666 2.824 2.868 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.361 2.956 1.375 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.345 1.419 3.357 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.980 1.863 0.531 1.00 0.00 C ATOM 0 H ILE A 48 9.392 5.651 2.701 1.00 0.00 H new ATOM 0 HA ILE A 48 7.908 3.439 3.956 1.00 0.00 H new ATOM 0 HB ILE A 48 10.730 3.007 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.281 2.947 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.721 3.923 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.916 0.693 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.609 1.332 4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.280 1.225 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.722 2.021 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.064 1.885 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.601 0.894 0.856 1.00 0.00 H new ATOM 772 N LEU A 49 8.974 4.201 6.071 1.00 0.00 N ATOM 773 CA LEU A 49 9.606 4.525 7.346 1.00 0.00 C ATOM 774 C LEU A 49 10.673 3.495 7.701 1.00 0.00 C ATOM 775 O LEU A 49 10.796 2.461 7.045 1.00 0.00 O ATOM 776 CB LEU A 49 8.556 4.590 8.457 1.00 0.00 C ATOM 777 CG LEU A 49 7.384 5.542 8.216 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.342 5.395 9.314 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.873 6.980 8.132 1.00 0.00 C ATOM 0 H LEU A 49 7.986 3.957 6.140 1.00 0.00 H new ATOM 0 HA LEU A 49 10.084 5.500 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.158 3.587 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.052 4.883 9.382 1.00 0.00 H new ATOM 0 HG LEU A 49 6.919 5.281 7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.516 6.080 9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.969 4.371 9.326 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.794 5.628 10.278 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.025 7.643 7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.363 7.253 9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.581 7.076 7.309 1.00 0.00 H new ATOM 791 N ASN A 50 11.443 3.784 8.745 1.00 0.00 N ATOM 792 CA ASN A 50 12.501 2.882 9.189 1.00 0.00 C ATOM 793 C ASN A 50 12.269 2.441 10.630 1.00 0.00 C ATOM 794 O ASN A 50 12.925 1.523 11.123 1.00 0.00 O ATOM 795 CB ASN A 50 13.865 3.562 9.064 1.00 0.00 C ATOM 796 CG ASN A 50 13.768 5.074 9.145 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.612 5.752 8.130 1.00 0.00 O ATOM 798 ND2 ASN A 50 13.860 5.607 10.358 1.00 0.00 N ATOM 0 H ASN A 50 11.355 4.635 9.300 1.00 0.00 H new ATOM 0 HA ASN A 50 12.484 1.999 8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.522 3.200 9.855 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.323 3.280 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.802 6.618 10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.989 5.005 11.171 1.00 0.00 H new ATOM 805 N LYS A 51 11.331 3.101 11.302 1.00 0.00 N ATOM 806 CA LYS A 51 11.011 2.777 12.688 1.00 0.00 C ATOM 807 C LYS A 51 10.198 1.489 12.771 1.00 0.00 C ATOM 808 O LYS A 51 10.353 0.707 13.710 1.00 0.00 O ATOM 809 CB LYS A 51 10.233 3.926 13.334 1.00 0.00 C ATOM 810 CG LYS A 51 10.919 5.275 13.202 1.00 0.00 C ATOM 811 CD LYS A 51 10.646 6.160 14.406 1.00 0.00 C ATOM 812 CE LYS A 51 11.160 7.574 14.187 1.00 0.00 C ATOM 813 NZ LYS A 51 11.189 8.356 15.453 1.00 0.00 N ATOM 0 H LYS A 51 10.779 3.864 10.909 1.00 0.00 H new ATOM 0 HA LYS A 51 11.947 2.631 13.227 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.244 3.985 12.880 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.085 3.705 14.391 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.994 5.129 13.093 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.572 5.773 12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.574 6.188 14.603 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.121 5.732 15.289 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.163 7.534 13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.526 8.082 13.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.545 9.314 15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.228 8.416 15.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.814 7.885 16.138 1.00 0.00 H new ATOM 827 N ILE A 52 9.336 1.274 11.783 1.00 0.00 N ATOM 828 CA ILE A 52 8.502 0.078 11.745 1.00 0.00 C ATOM 829 C ILE A 52 8.295 -0.402 10.313 1.00 0.00 C ATOM 830 O ILE A 52 9.026 -0.010 9.404 1.00 0.00 O ATOM 831 CB ILE A 52 7.129 0.329 12.395 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.243 1.158 11.463 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.296 1.028 13.735 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.905 2.427 10.971 1.00 0.00 C ATOM 0 H ILE A 52 9.197 1.911 10.999 1.00 0.00 H new ATOM 0 HA ILE A 52 9.027 -0.692 12.311 1.00 0.00 H new ATOM 0 HB ILE A 52 6.645 -0.632 12.567 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.962 0.548 10.605 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.322 1.417 11.985 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.316 1.198 14.181 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.894 0.404 14.399 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.798 1.984 13.587 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.220 2.964 10.315 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.162 3.057 11.823 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.811 2.175 10.420 1.00 0.00 H new ATOM 846 N ASN A 53 7.292 -1.251 10.119 1.00 0.00 N ATOM 847 CA ASN A 53 6.986 -1.784 8.796 1.00 0.00 C ATOM 848 C ASN A 53 5.737 -1.126 8.219 1.00 0.00 C ATOM 849 O ASN A 53 4.825 -1.806 7.751 1.00 0.00 O ATOM 850 CB ASN A 53 6.791 -3.300 8.867 1.00 0.00 C ATOM 851 CG ASN A 53 8.102 -4.044 9.030 1.00 0.00 C ATOM 852 OD1 ASN A 53 9.175 -3.498 8.772 1.00 0.00 O ATOM 853 ND2 ASN A 53 8.020 -5.299 9.457 1.00 0.00 N ATOM 0 H ASN A 53 6.677 -1.585 10.861 1.00 0.00 H new ATOM 0 HA ASN A 53 7.827 -1.563 8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.134 -3.540 9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.292 -3.642 7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.868 -5.851 9.583 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.109 -5.711 9.659 1.00 0.00 H new ATOM 860 N GLU A 54 5.703 0.203 8.257 1.00 0.00 N ATOM 861 CA GLU A 54 4.566 0.953 7.738 1.00 0.00 C ATOM 862 C GLU A 54 4.975 1.801 6.537 1.00 0.00 C ATOM 863 O GLU A 54 5.805 2.701 6.654 1.00 0.00 O ATOM 864 CB GLU A 54 3.975 1.847 8.830 1.00 0.00 C ATOM 865 CG GLU A 54 3.045 1.113 9.781 1.00 0.00 C ATOM 866 CD GLU A 54 2.150 2.055 10.564 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.213 3.277 10.317 1.00 0.00 O ATOM 868 OE2 GLU A 54 1.386 1.568 11.424 1.00 0.00 O ATOM 0 H GLU A 54 6.450 0.781 8.642 1.00 0.00 H new ATOM 0 HA GLU A 54 3.809 0.238 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.788 2.293 9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.429 2.666 8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.426 0.417 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.638 0.519 10.476 1.00 0.00 H new ATOM 875 N ALA A 55 4.386 1.505 5.382 1.00 0.00 N ATOM 876 CA ALA A 55 4.687 2.240 4.161 1.00 0.00 C ATOM 877 C ALA A 55 3.417 2.802 3.532 1.00 0.00 C ATOM 878 O ALA A 55 2.315 2.324 3.800 1.00 0.00 O ATOM 879 CB ALA A 55 5.417 1.343 3.172 1.00 0.00 C ATOM 0 H ALA A 55 3.698 0.761 5.268 1.00 0.00 H new ATOM 0 HA ALA A 55 5.334 3.078 4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.636 1.905 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.349 0.994 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.790 0.486 2.926 1.00 0.00 H new ATOM 885 N PHE A 56 3.579 3.822 2.694 1.00 0.00 N ATOM 886 CA PHE A 56 2.444 4.451 2.027 1.00 0.00 C ATOM 887 C PHE A 56 2.825 4.909 0.622 1.00 0.00 C ATOM 888 O PHE A 56 3.712 5.746 0.450 1.00 0.00 O ATOM 889 CB PHE A 56 1.942 5.642 2.845 1.00 0.00 C ATOM 890 CG PHE A 56 1.863 5.365 4.319 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.737 4.772 4.867 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.914 5.699 5.157 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.661 4.516 6.223 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.845 5.445 6.514 1.00 0.00 C ATOM 895 CZ PHE A 56 1.717 4.854 7.048 1.00 0.00 C ATOM 0 H PHE A 56 4.484 4.230 2.461 1.00 0.00 H new ATOM 0 HA PHE A 56 1.646 3.712 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.603 6.492 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.955 5.930 2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.091 4.507 4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.798 6.163 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.222 4.053 6.637 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.673 5.709 7.156 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.660 4.656 8.108 1.00 0.00 H new ATOM 905 N ILE A 57 2.150 4.354 -0.379 1.00 0.00 N ATOM 906 CA ILE A 57 2.416 4.705 -1.768 1.00 0.00 C ATOM 907 C ILE A 57 1.324 5.611 -2.325 1.00 0.00 C ATOM 908 O ILE A 57 0.137 5.384 -2.091 1.00 0.00 O ATOM 909 CB ILE A 57 2.529 3.451 -2.654 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.774 2.644 -2.278 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.570 3.843 -4.124 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.694 1.189 -2.680 1.00 0.00 C ATOM 0 H ILE A 57 1.414 3.659 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 57 3.368 5.236 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 57 1.651 2.827 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.646 3.096 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.926 2.707 -1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.650 2.946 -4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.657 4.380 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.432 4.485 -4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.610 0.678 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.842 0.722 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.573 1.116 -3.761 1.00 0.00 H new ATOM 924 N GLU A 58 1.732 6.638 -3.064 1.00 0.00 N ATOM 925 CA GLU A 58 0.786 7.578 -3.655 1.00 0.00 C ATOM 926 C GLU A 58 0.715 7.397 -5.169 1.00 0.00 C ATOM 927 O GLU A 58 1.732 7.448 -5.859 1.00 0.00 O ATOM 928 CB GLU A 58 1.187 9.016 -3.321 1.00 0.00 C ATOM 929 CG GLU A 58 0.138 10.045 -3.708 1.00 0.00 C ATOM 930 CD GLU A 58 -0.119 11.058 -2.609 1.00 0.00 C ATOM 931 OE1 GLU A 58 0.067 10.706 -1.425 1.00 0.00 O ATOM 932 OE2 GLU A 58 -0.506 12.200 -2.932 1.00 0.00 O ATOM 0 H GLU A 58 2.711 6.840 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.199 7.376 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.380 9.091 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.121 9.252 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.461 10.566 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.794 9.535 -3.952 1.00 0.00 H new ATOM 939 N MET A 59 -0.495 7.184 -5.675 1.00 0.00 N ATOM 940 CA MET A 59 -0.701 6.995 -7.107 1.00 0.00 C ATOM 941 C MET A 59 -1.119 8.303 -7.773 1.00 0.00 C ATOM 942 O MET A 59 -1.685 9.184 -7.128 1.00 0.00 O ATOM 943 CB MET A 59 -1.760 5.921 -7.355 1.00 0.00 C ATOM 944 CG MET A 59 -1.517 4.637 -6.580 1.00 0.00 C ATOM 945 SD MET A 59 -0.037 3.764 -7.127 1.00 0.00 S ATOM 946 CE MET A 59 -0.637 2.987 -8.626 1.00 0.00 C ATOM 0 H MET A 59 -1.347 7.138 -5.116 1.00 0.00 H new ATOM 0 HA MET A 59 0.243 6.670 -7.545 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.739 6.318 -7.086 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.791 5.692 -8.420 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.425 4.870 -5.519 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.381 3.982 -6.689 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.166 2.408 -9.082 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.469 2.326 -8.385 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.973 3.754 -9.324 1.00 0.00 H new ATOM 956 N ALA A 60 -0.837 8.420 -9.066 1.00 0.00 N ATOM 957 CA ALA A 60 -1.186 9.619 -9.819 1.00 0.00 C ATOM 958 C ALA A 60 -2.698 9.812 -9.872 1.00 0.00 C ATOM 959 O ALA A 60 -3.187 10.936 -9.997 1.00 0.00 O ATOM 960 CB ALA A 60 -0.613 9.544 -11.226 1.00 0.00 C ATOM 0 H ALA A 60 -0.368 7.699 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.753 10.479 -9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.881 10.446 -11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.473 9.461 -11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.019 8.672 -11.738 1.00 0.00 H new ATOM 966 N THR A 61 -3.435 8.709 -9.777 1.00 0.00 N ATOM 967 CA THR A 61 -4.891 8.759 -9.816 1.00 0.00 C ATOM 968 C THR A 61 -5.501 7.749 -8.850 1.00 0.00 C ATOM 969 O THR A 61 -5.152 6.568 -8.866 1.00 0.00 O ATOM 970 CB THR A 61 -5.425 8.481 -11.234 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.966 7.203 -11.689 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.972 9.563 -12.203 1.00 0.00 C ATOM 0 H THR A 61 -3.047 7.771 -9.673 1.00 0.00 H new ATOM 0 HA THR A 61 -5.181 9.766 -9.517 1.00 0.00 H new ATOM 0 HB THR A 61 -6.514 8.482 -11.195 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.149 6.958 -11.207 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.361 9.346 -13.198 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.348 10.530 -11.870 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.883 9.589 -12.237 1.00 0.00 H new ATOM 980 N THR A 62 -6.416 8.220 -8.008 1.00 0.00 N ATOM 981 CA THR A 62 -7.075 7.358 -7.034 1.00 0.00 C ATOM 982 C THR A 62 -7.491 6.034 -7.664 1.00 0.00 C ATOM 983 O THR A 62 -7.388 4.980 -7.039 1.00 0.00 O ATOM 984 CB THR A 62 -8.317 8.040 -6.430 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.253 7.050 -5.990 1.00 0.00 O ATOM 986 CG2 THR A 62 -8.980 8.955 -7.448 1.00 0.00 C ATOM 0 H THR A 62 -6.718 9.194 -7.981 1.00 0.00 H new ATOM 0 HA THR A 62 -6.353 7.168 -6.240 1.00 0.00 H new ATOM 0 HB THR A 62 -7.997 8.641 -5.579 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.806 6.763 -6.747 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.855 9.426 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.274 9.725 -7.760 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.287 8.372 -8.316 1.00 0.00 H new ATOM 994 N GLU A 63 -7.962 6.097 -8.906 1.00 0.00 N ATOM 995 CA GLU A 63 -8.393 4.902 -9.620 1.00 0.00 C ATOM 996 C GLU A 63 -7.384 3.770 -9.447 1.00 0.00 C ATOM 997 O GLU A 63 -7.758 2.615 -9.245 1.00 0.00 O ATOM 998 CB GLU A 63 -8.583 5.208 -11.107 1.00 0.00 C ATOM 999 CG GLU A 63 -9.945 5.795 -11.439 1.00 0.00 C ATOM 1000 CD GLU A 63 -10.917 4.755 -11.961 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -11.135 3.744 -11.262 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.457 4.953 -13.069 1.00 0.00 O ATOM 0 H GLU A 63 -8.054 6.963 -9.438 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.346 4.583 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.809 5.905 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.443 4.291 -11.679 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.363 6.262 -10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.826 6.582 -12.184 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.102 4.111 -9.531 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.038 3.125 -9.383 1.00 0.00 C ATOM 1011 C ASP A 64 -4.997 2.578 -7.960 1.00 0.00 C ATOM 1012 O ASP A 64 -5.226 1.390 -7.735 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.686 3.746 -9.744 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.713 4.455 -11.083 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.479 4.021 -11.969 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.968 5.444 -11.246 1.00 0.00 O ATOM 0 H ASP A 64 -5.775 5.062 -9.701 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.244 2.299 -10.064 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.396 4.454 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.925 2.966 -9.765 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.703 3.452 -7.003 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.633 3.056 -5.602 1.00 0.00 C ATOM 1023 C ALA A 65 -5.847 2.221 -5.207 1.00 0.00 C ATOM 1024 O ALA A 65 -5.705 1.114 -4.688 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.523 4.285 -4.711 1.00 0.00 C ATOM 0 H ALA A 65 -4.509 4.439 -7.173 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.742 2.442 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.472 3.974 -3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.622 4.842 -4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.397 4.920 -4.858 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.036 2.759 -5.456 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.273 2.061 -5.124 1.00 0.00 C ATOM 1033 C GLN A 66 -8.282 0.657 -5.717 1.00 0.00 C ATOM 1034 O GLN A 66 -8.802 -0.280 -5.112 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.480 2.851 -5.632 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.732 4.139 -4.865 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.133 4.679 -5.074 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.071 3.921 -5.323 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.283 5.994 -4.974 1.00 0.00 N ATOM 0 H GLN A 66 -7.170 3.674 -5.886 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.334 1.977 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.331 3.089 -6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.368 2.222 -5.570 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.570 3.962 -3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.007 4.891 -5.177 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.478 6.585 -4.766 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.203 6.414 -5.105 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.704 0.518 -6.906 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.645 -0.773 -7.580 1.00 0.00 C ATOM 1050 C ALA A 67 -6.702 -1.729 -6.855 1.00 0.00 C ATOM 1051 O ALA A 67 -7.074 -2.857 -6.535 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.207 -0.593 -9.027 1.00 0.00 C ATOM 0 H ALA A 67 -7.270 1.284 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.644 -1.209 -7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.167 -1.565 -9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.920 0.047 -9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.220 -0.132 -9.054 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.482 -1.269 -6.600 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.488 -2.082 -5.912 1.00 0.00 C ATOM 1060 C ALA A 68 -5.082 -2.744 -4.672 1.00 0.00 C ATOM 1061 O ALA A 68 -4.683 -3.844 -4.292 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.283 -1.235 -5.533 1.00 0.00 C ATOM 0 H ALA A 68 -5.158 -0.337 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.165 -2.869 -6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.549 -1.856 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.836 -0.814 -6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.599 -0.427 -4.873 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.037 -2.063 -4.044 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.686 -2.585 -2.848 1.00 0.00 C ATOM 1070 C VAL A 69 -7.747 -3.619 -3.205 1.00 0.00 C ATOM 1071 O VAL A 69 -7.969 -4.578 -2.465 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.341 -1.457 -2.028 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.250 -2.035 -0.954 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.275 -0.562 -1.411 1.00 0.00 C ATOM 0 H VAL A 69 -6.377 -1.150 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.909 -3.058 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.951 -0.851 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.703 -1.223 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.033 -2.631 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.666 -2.665 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.754 0.230 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.638 -1.154 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.669 -0.120 -2.202 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.400 -3.420 -4.344 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.438 -4.336 -4.802 1.00 0.00 C ATOM 1086 C ASP A 70 -8.839 -5.681 -5.199 1.00 0.00 C ATOM 1087 O ASP A 70 -9.549 -6.682 -5.305 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.197 -3.733 -5.985 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.636 -4.205 -6.051 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.483 -3.628 -5.336 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -11.915 -5.149 -6.818 1.00 0.00 O ATOM 0 H ASP A 70 -8.229 -2.632 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.134 -4.497 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.177 -2.646 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.688 -3.997 -6.912 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.529 -5.697 -5.420 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.834 -6.918 -5.810 1.00 0.00 C ATOM 1098 C TYR A 71 -6.606 -7.824 -4.603 1.00 0.00 C ATOM 1099 O TYR A 71 -6.619 -9.050 -4.721 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.496 -6.581 -6.468 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.766 -7.788 -7.012 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -5.362 -8.617 -7.956 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.483 -8.101 -6.582 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -4.700 -9.722 -8.454 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.813 -9.204 -7.077 1.00 0.00 C ATOM 1106 CZ TYR A 71 -3.425 -10.011 -8.013 1.00 0.00 C ATOM 1107 OH TYR A 71 -2.762 -11.110 -8.507 1.00 0.00 O ATOM 0 H TYR A 71 -6.927 -4.878 -5.336 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.460 -7.448 -6.527 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.668 -5.875 -7.280 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.859 -6.080 -5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.359 -8.393 -8.306 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.001 -7.472 -5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.178 -10.357 -9.185 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.815 -9.433 -6.733 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.875 -11.170 -8.094 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.397 -7.211 -3.443 1.00 0.00 N ATOM 1118 CA TYR A 72 -6.164 -7.960 -2.214 1.00 0.00 C ATOM 1119 C TYR A 72 -7.462 -8.574 -1.696 1.00 0.00 C ATOM 1120 O TYR A 72 -7.445 -9.541 -0.934 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.554 -7.052 -1.146 1.00 0.00 C ATOM 1122 CG TYR A 72 -6.377 -6.968 0.120 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -7.687 -6.506 0.091 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -5.844 -7.350 1.345 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -8.443 -6.427 1.244 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -6.592 -7.276 2.504 1.00 0.00 C ATOM 1127 CZ TYR A 72 -7.891 -6.814 2.448 1.00 0.00 C ATOM 1128 OH TYR A 72 -8.640 -6.737 3.600 1.00 0.00 O ATOM 0 H TYR A 72 -6.384 -6.198 -3.328 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.465 -8.766 -2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.557 -7.416 -0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.434 -6.050 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.122 -6.203 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.827 -7.711 1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -9.460 -6.065 1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.163 -7.578 3.448 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.105 -7.048 4.360 1.00 0.00 H new ATOM 1138 N THR A 73 -8.587 -8.003 -2.115 1.00 0.00 N ATOM 1139 CA THR A 73 -9.894 -8.492 -1.694 1.00 0.00 C ATOM 1140 C THR A 73 -10.278 -9.758 -2.450 1.00 0.00 C ATOM 1141 O THR A 73 -11.323 -10.355 -2.194 1.00 0.00 O ATOM 1142 CB THR A 73 -10.987 -7.427 -1.909 1.00 0.00 C ATOM 1143 OG1 THR A 73 -12.179 -7.801 -1.207 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.295 -7.260 -3.389 1.00 0.00 C ATOM 0 H THR A 73 -8.619 -7.202 -2.745 1.00 0.00 H new ATOM 0 HA THR A 73 -9.820 -8.717 -0.630 1.00 0.00 H new ATOM 0 HB THR A 73 -10.620 -6.477 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.350 -8.757 -1.340 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.069 -6.503 -3.516 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.393 -6.948 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.644 -8.208 -3.797 1.00 0.00 H new ATOM 1152 N THR A 74 -9.425 -10.164 -3.386 1.00 0.00 N ATOM 1153 CA THR A 74 -9.674 -11.360 -4.181 1.00 0.00 C ATOM 1154 C THR A 74 -8.452 -12.271 -4.203 1.00 0.00 C ATOM 1155 O THR A 74 -8.578 -13.496 -4.240 1.00 0.00 O ATOM 1156 CB THR A 74 -10.059 -11.002 -5.628 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.084 -10.117 -6.191 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.432 -10.349 -5.678 1.00 0.00 C ATOM 0 H THR A 74 -8.555 -9.681 -3.612 1.00 0.00 H new ATOM 0 HA THR A 74 -10.506 -11.884 -3.710 1.00 0.00 H new ATOM 0 HB THR A 74 -10.091 -11.924 -6.209 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.378 -9.947 -5.533 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.682 -10.105 -6.711 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.177 -11.037 -5.277 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.423 -9.436 -5.082 1.00 0.00 H new ATOM 1166 N THR A 75 -7.268 -11.667 -4.178 1.00 0.00 N ATOM 1167 CA THR A 75 -6.023 -12.424 -4.196 1.00 0.00 C ATOM 1168 C THR A 75 -5.146 -12.066 -3.002 1.00 0.00 C ATOM 1169 O THR A 75 -5.025 -10.903 -2.616 1.00 0.00 O ATOM 1170 CB THR A 75 -5.232 -12.174 -5.493 1.00 0.00 C ATOM 1171 OG1 THR A 75 -5.998 -12.602 -6.624 1.00 0.00 O ATOM 1172 CG2 THR A 75 -3.901 -12.910 -5.466 1.00 0.00 C ATOM 0 H THR A 75 -7.145 -10.655 -4.145 1.00 0.00 H new ATOM 0 HA THR A 75 -6.293 -13.479 -4.142 1.00 0.00 H new ATOM 0 HB THR A 75 -5.035 -11.105 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.489 -12.438 -7.445 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.360 -12.718 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.308 -12.559 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.079 -13.981 -5.365 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.517 -13.087 -2.401 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.638 -12.904 -1.243 1.00 0.00 C ATOM 1182 C PRO A 76 -2.340 -12.192 -1.607 1.00 0.00 C ATOM 1183 O PRO A 76 -1.579 -12.661 -2.452 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.351 -14.337 -0.785 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.532 -15.169 -2.008 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.616 -14.499 -2.808 1.00 0.00 C ATOM 0 HA PRO A 76 -4.099 -12.281 -0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.340 -14.431 -0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.034 -14.644 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.606 -15.229 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.813 -16.189 -1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.458 -14.620 -3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.598 -14.915 -2.582 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.093 -11.057 -0.961 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.885 -10.281 -1.216 1.00 0.00 C ATOM 1196 C ALA A 77 0.269 -10.758 -0.340 1.00 0.00 C ATOM 1197 O ALA A 77 0.442 -10.290 0.785 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.150 -8.801 -0.983 1.00 0.00 C ATOM 0 H ALA A 77 -2.713 -10.655 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.601 -10.429 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.240 -8.233 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.939 -8.462 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.461 -8.645 0.050 1.00 0.00 H new ATOM 1204 N LEU A 78 1.054 -11.692 -0.864 1.00 0.00 N ATOM 1205 CA LEU A 78 2.192 -12.234 -0.129 1.00 0.00 C ATOM 1206 C LEU A 78 3.471 -11.475 -0.469 1.00 0.00 C ATOM 1207 O LEU A 78 3.999 -11.590 -1.574 1.00 0.00 O ATOM 1208 CB LEU A 78 2.369 -13.720 -0.447 1.00 0.00 C ATOM 1209 CG LEU A 78 1.222 -14.638 -0.019 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.568 -16.091 -0.307 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.907 -14.445 1.456 1.00 0.00 C ATOM 0 H LEU A 78 0.924 -12.090 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 78 1.993 -12.117 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.512 -13.827 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.284 -14.067 0.032 1.00 0.00 H new ATOM 0 HG LEU A 78 0.335 -14.375 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.742 -16.730 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.744 -16.218 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.467 -16.367 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.089 -15.106 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.790 -14.681 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.616 -13.410 1.634 1.00 0.00 H new ATOM 1223 N VAL A 79 3.965 -10.700 0.492 1.00 0.00 N ATOM 1224 CA VAL A 79 5.185 -9.924 0.296 1.00 0.00 C ATOM 1225 C VAL A 79 6.399 -10.661 0.847 1.00 0.00 C ATOM 1226 O VAL A 79 6.450 -10.999 2.031 1.00 0.00 O ATOM 1227 CB VAL A 79 5.085 -8.544 0.972 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.444 -7.859 0.991 1.00 0.00 C ATOM 1229 CG2 VAL A 79 4.053 -7.678 0.264 1.00 0.00 C ATOM 0 H VAL A 79 3.540 -10.593 1.413 1.00 0.00 H new ATOM 0 HA VAL A 79 5.305 -9.787 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 79 4.761 -8.686 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.354 -6.885 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.153 -8.474 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.799 -7.727 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.995 -6.706 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.345 -7.542 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.079 -8.165 0.307 1.00 0.00 H new ATOM 1239 N PHE A 80 7.378 -10.908 -0.018 1.00 0.00 N ATOM 1240 CA PHE A 80 8.594 -11.606 0.382 1.00 0.00 C ATOM 1241 C PHE A 80 8.291 -13.054 0.760 1.00 0.00 C ATOM 1242 O PHE A 80 9.174 -13.789 1.200 1.00 0.00 O ATOM 1243 CB PHE A 80 9.256 -10.888 1.560 1.00 0.00 C ATOM 1244 CG PHE A 80 10.406 -10.010 1.155 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.409 -10.495 0.333 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.484 -8.699 1.600 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.469 -9.689 -0.042 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.540 -7.889 1.229 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.535 -8.384 0.408 1.00 0.00 C ATOM 0 H PHE A 80 7.352 -10.635 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 80 9.279 -11.606 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.509 -10.282 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.610 -11.630 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.363 -11.515 -0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.711 -8.307 2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.244 -10.079 -0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.588 -6.869 1.581 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.362 -7.753 0.119 1.00 0.00 H new ATOM 1259 N GLY A 81 7.035 -13.454 0.586 1.00 0.00 N ATOM 1260 CA GLY A 81 6.637 -14.811 0.915 1.00 0.00 C ATOM 1261 C GLY A 81 5.609 -14.859 2.028 1.00 0.00 C ATOM 1262 O GLY A 81 4.950 -15.879 2.230 1.00 0.00 O ATOM 0 H GLY A 81 6.286 -12.863 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.229 -15.292 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.516 -15.383 1.212 1.00 0.00 H new ATOM 1266 N LYS A 82 5.473 -13.755 2.755 1.00 0.00 N ATOM 1267 CA LYS A 82 4.520 -13.675 3.855 1.00 0.00 C ATOM 1268 C LYS A 82 3.359 -12.752 3.502 1.00 0.00 C ATOM 1269 O LYS A 82 3.504 -11.797 2.737 1.00 0.00 O ATOM 1270 CB LYS A 82 5.214 -13.177 5.124 1.00 0.00 C ATOM 1271 CG LYS A 82 6.042 -11.921 4.912 1.00 0.00 C ATOM 1272 CD LYS A 82 7.484 -12.257 4.565 1.00 0.00 C ATOM 1273 CE LYS A 82 8.434 -11.151 5.003 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.781 -11.682 5.345 1.00 0.00 N ATOM 0 H LYS A 82 6.012 -12.903 2.602 1.00 0.00 H new ATOM 0 HA LYS A 82 4.125 -14.675 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.461 -12.981 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.859 -13.967 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.603 -11.325 4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.016 -11.310 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.767 -13.193 5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.574 -12.411 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.526 -10.414 4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.017 -10.635 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.488 -10.927 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.780 -12.024 6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.017 -12.467 4.705 1.00 0.00 H new ATOM 1288 N PRO A 83 2.179 -13.039 4.070 1.00 0.00 N ATOM 1289 CA PRO A 83 0.970 -12.243 3.832 1.00 0.00 C ATOM 1290 C PRO A 83 1.052 -10.860 4.468 1.00 0.00 C ATOM 1291 O PRO A 83 1.728 -10.669 5.478 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.135 -13.071 4.492 1.00 0.00 C ATOM 1293 CG PRO A 83 0.563 -13.870 5.538 1.00 0.00 C ATOM 1294 CD PRO A 83 1.933 -14.161 4.992 1.00 0.00 C ATOM 0 HA PRO A 83 0.806 -12.058 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.902 -12.431 4.929 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.633 -13.716 3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.626 -13.316 6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.023 -14.793 5.749 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.681 -14.201 5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.964 -15.120 4.475 1.00 0.00 H new ATOM 1302 N VAL A 84 0.356 -9.897 3.870 1.00 0.00 N ATOM 1303 CA VAL A 84 0.349 -8.531 4.379 1.00 0.00 C ATOM 1304 C VAL A 84 -1.030 -7.896 4.229 1.00 0.00 C ATOM 1305 O VAL A 84 -1.945 -8.503 3.673 1.00 0.00 O ATOM 1306 CB VAL A 84 1.388 -7.656 3.653 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.798 -8.125 3.972 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.138 -7.669 2.152 1.00 0.00 C ATOM 0 H VAL A 84 -0.210 -10.038 3.033 1.00 0.00 H new ATOM 0 HA VAL A 84 0.607 -8.585 5.437 1.00 0.00 H new ATOM 0 HB VAL A 84 1.285 -6.630 4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.518 -7.495 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.969 -8.058 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.919 -9.159 3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.881 -7.046 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.213 -8.691 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.141 -7.280 1.946 1.00 0.00 H new ATOM 1318 N ARG A 85 -1.168 -6.672 4.728 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.435 -5.955 4.650 1.00 0.00 C ATOM 1320 C ARG A 85 -2.336 -4.780 3.681 1.00 0.00 C ATOM 1321 O ARG A 85 -1.366 -4.023 3.703 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.848 -5.453 6.035 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.383 -6.548 6.944 1.00 0.00 C ATOM 1324 CD ARG A 85 -4.285 -5.979 8.029 1.00 0.00 C ATOM 1325 NE ARG A 85 -4.239 -6.776 9.252 1.00 0.00 N ATOM 1326 CZ ARG A 85 -4.814 -6.407 10.391 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -5.475 -5.260 10.463 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -4.730 -7.187 11.462 1.00 0.00 N ATOM 0 H ARG A 85 -0.419 -6.157 5.190 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.192 -6.646 4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.989 -4.983 6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.610 -4.682 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.938 -7.275 6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.550 -7.080 7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.983 -4.956 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.311 -5.936 7.662 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.738 -7.664 9.230 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.543 -4.658 9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.916 -4.979 11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.223 -8.071 11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.172 -6.902 12.336 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.346 -4.637 2.829 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.373 -3.555 1.852 1.00 0.00 C ATOM 1344 C VAL A 86 -4.669 -2.758 1.950 1.00 0.00 C ATOM 1345 O VAL A 86 -5.743 -3.254 1.609 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.222 -4.091 0.416 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.358 -2.962 -0.594 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.889 -4.806 0.253 1.00 0.00 C ATOM 0 H VAL A 86 -4.156 -5.256 2.795 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.530 -2.903 2.080 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.020 -4.810 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.248 -3.361 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.339 -2.499 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.584 -2.216 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.798 -5.179 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.075 -4.110 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.837 -5.642 0.950 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.562 -1.519 2.419 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.725 -0.651 2.562 1.00 0.00 C ATOM 1360 C HIS A 87 -5.533 0.648 1.786 1.00 0.00 C ATOM 1361 O HIS A 87 -4.448 0.922 1.272 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.981 -0.344 4.038 1.00 0.00 C ATOM 1363 CG HIS A 87 -5.961 -1.559 4.915 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.535 -1.533 6.225 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.320 -2.839 4.662 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.630 -2.746 6.741 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.105 -3.557 5.813 1.00 0.00 N ATOM 0 H HIS A 87 -3.681 -1.093 2.707 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.589 -1.174 2.152 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.228 0.361 4.390 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.948 0.149 4.136 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.704 -3.224 3.729 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.364 -3.026 7.750 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.283 -4.554 5.932 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.593 1.445 1.704 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.541 2.716 0.990 1.00 0.00 C ATOM 1377 C LEU A 88 -6.571 3.889 1.963 1.00 0.00 C ATOM 1378 O LEU A 88 -7.611 4.517 2.163 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.711 2.821 0.009 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.416 3.529 -1.314 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -6.936 4.950 -1.063 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.385 2.750 -2.117 1.00 0.00 C ATOM 0 H LEU A 88 -7.499 1.234 2.123 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.604 2.754 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.065 1.814 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.528 3.345 0.504 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.338 3.576 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.731 5.438 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.707 5.505 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.026 4.926 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.187 3.268 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.461 2.672 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.767 1.751 -2.328 1.00 0.00 H new