USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 480 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 68 THR OG1 : rot 180:sc= 0.00131 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -3.14 K(o=-3.1,f=-5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.592 K(o=-0.59,f=-4.1!) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.212) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= -2.4 (180deg=-2.57!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 152:sc= -2.53 (180deg=-4.23!) USER MOD Single : A 49 ASN : amide:sc= -1.62 K(o=-1.6,f=-3.1!) USER MOD Single : A 51 ASN : amide:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 59 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.589) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N PRO A 16 2.716 -9.547 -3.646 1.00 0.00 N ATOM 177 CA PRO A 16 1.920 -8.435 -3.118 1.00 0.00 C ATOM 178 C PRO A 16 1.797 -7.287 -4.114 1.00 0.00 C ATOM 179 O PRO A 16 2.634 -7.130 -5.003 1.00 0.00 O ATOM 180 CB PRO A 16 2.709 -7.989 -1.884 1.00 0.00 C ATOM 181 CG PRO A 16 4.111 -8.409 -2.158 1.00 0.00 C ATOM 182 CD PRO A 16 4.015 -9.675 -2.964 1.00 0.00 C ATOM 0 HA PRO A 16 0.895 -8.735 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.640 -6.911 -1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.325 -8.458 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.649 -7.637 -2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.656 -8.578 -1.229 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.836 -9.761 -3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.050 -10.560 -2.328 1.00 0.00 H new ATOM 190 N VAL A 17 0.747 -6.486 -3.960 1.00 0.00 N ATOM 191 CA VAL A 17 0.515 -5.351 -4.845 1.00 0.00 C ATOM 192 C VAL A 17 1.380 -4.159 -4.449 1.00 0.00 C ATOM 193 O VAL A 17 1.523 -3.849 -3.266 1.00 0.00 O ATOM 194 CB VAL A 17 -0.965 -4.924 -4.834 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.176 -3.705 -5.720 1.00 0.00 C ATOM 196 CG2 VAL A 17 -1.855 -6.076 -5.277 1.00 0.00 C ATOM 0 H VAL A 17 0.044 -6.602 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 17 0.785 -5.673 -5.851 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.240 -4.654 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.227 -3.418 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.567 -2.879 -5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.885 -3.944 -6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.897 -5.757 -5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.582 -6.379 -6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.725 -6.918 -4.598 1.00 0.00 H new ATOM 206 N PHE A 18 1.953 -3.494 -5.446 1.00 0.00 N ATOM 207 CA PHE A 18 2.805 -2.335 -5.202 1.00 0.00 C ATOM 208 C PHE A 18 2.161 -1.063 -5.747 1.00 0.00 C ATOM 209 O PHE A 18 1.758 -1.007 -6.908 1.00 0.00 O ATOM 210 CB PHE A 18 4.178 -2.541 -5.845 1.00 0.00 C ATOM 211 CG PHE A 18 5.016 -3.575 -5.150 1.00 0.00 C ATOM 212 CD1 PHE A 18 5.516 -3.341 -3.879 1.00 0.00 C ATOM 213 CD2 PHE A 18 5.305 -4.781 -5.768 1.00 0.00 C ATOM 214 CE1 PHE A 18 6.288 -4.291 -3.236 1.00 0.00 C ATOM 215 CE2 PHE A 18 6.076 -5.735 -5.130 1.00 0.00 C ATOM 216 CZ PHE A 18 6.569 -5.489 -3.863 1.00 0.00 C ATOM 0 H PHE A 18 1.843 -3.737 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 18 2.929 -2.226 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.042 -2.834 -6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.715 -1.592 -5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.300 -2.405 -3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.924 -4.978 -6.759 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.671 -4.096 -2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.293 -6.672 -5.622 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.173 -6.232 -3.364 1.00 0.00 H new ATOM 226 N ALA A 19 2.068 -0.045 -4.898 1.00 0.00 N ATOM 227 CA ALA A 19 1.475 1.227 -5.293 1.00 0.00 C ATOM 228 C ALA A 19 2.284 2.401 -4.751 1.00 0.00 C ATOM 229 O ALA A 19 2.418 2.569 -3.539 1.00 0.00 O ATOM 230 CB ALA A 19 0.034 1.309 -4.812 1.00 0.00 C ATOM 0 H ALA A 19 2.396 -0.076 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 19 1.487 1.283 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.397 2.264 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.543 0.496 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.008 1.226 -3.725 1.00 0.00 H new ATOM 236 N LYS A 20 2.821 3.211 -5.657 1.00 0.00 N ATOM 237 CA LYS A 20 3.617 4.371 -5.271 1.00 0.00 C ATOM 238 C LYS A 20 2.722 5.572 -4.983 1.00 0.00 C ATOM 239 O LYS A 20 1.737 5.806 -5.682 1.00 0.00 O ATOM 240 CB LYS A 20 4.617 4.719 -6.375 1.00 0.00 C ATOM 241 CG LYS A 20 3.980 5.372 -7.589 1.00 0.00 C ATOM 242 CD LYS A 20 4.994 5.594 -8.699 1.00 0.00 C ATOM 243 CE LYS A 20 6.017 6.651 -8.316 1.00 0.00 C ATOM 244 NZ LYS A 20 6.703 7.219 -9.510 1.00 0.00 N ATOM 0 H LYS A 20 2.720 3.086 -6.664 1.00 0.00 H new ATOM 0 HA LYS A 20 4.163 4.120 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.375 5.388 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.130 3.810 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.168 4.745 -7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.540 6.327 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.504 4.656 -8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.478 5.899 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.523 7.452 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.757 6.214 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.392 7.936 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.196 6.459 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.000 7.659 -10.138 1.00 0.00 H new ATOM 258 N ALA A 21 3.073 6.331 -3.950 1.00 0.00 N ATOM 259 CA ALA A 21 2.304 7.510 -3.572 1.00 0.00 C ATOM 260 C ALA A 21 2.535 8.654 -4.554 1.00 0.00 C ATOM 261 O ALA A 21 3.595 9.281 -4.552 1.00 0.00 O ATOM 262 CB ALA A 21 2.663 7.945 -2.159 1.00 0.00 C ATOM 0 H ALA A 21 3.885 6.150 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 21 1.246 7.248 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.081 8.827 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.440 7.137 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.726 8.183 -2.111 1.00 0.00 H new ATOM 268 N ILE A 22 1.538 8.920 -5.391 1.00 0.00 N ATOM 269 CA ILE A 22 1.634 9.989 -6.377 1.00 0.00 C ATOM 270 C ILE A 22 1.592 11.359 -5.709 1.00 0.00 C ATOM 271 O ILE A 22 2.150 12.328 -6.223 1.00 0.00 O ATOM 272 CB ILE A 22 0.498 9.901 -7.414 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.855 9.770 -6.711 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.729 8.727 -8.354 1.00 0.00 C ATOM 275 CD1 ILE A 22 -2.035 10.045 -7.617 1.00 0.00 C ATOM 0 H ILE A 22 0.655 8.410 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 22 2.590 9.865 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 22 0.492 10.818 -8.004 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.947 8.764 -6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.886 10.460 -5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.082 8.678 -9.081 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.677 8.860 -8.876 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.758 7.801 -7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.961 9.934 -7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.966 11.061 -8.005 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.029 9.338 -8.447 1.00 0.00 H new ATOM 287 N GLN A 23 0.928 11.431 -4.560 1.00 0.00 N ATOM 288 CA GLN A 23 0.815 12.683 -3.821 1.00 0.00 C ATOM 289 C GLN A 23 1.374 12.534 -2.409 1.00 0.00 C ATOM 290 O GLN A 23 1.307 11.458 -1.814 1.00 0.00 O ATOM 291 CB GLN A 23 -0.645 13.133 -3.759 1.00 0.00 C ATOM 292 CG GLN A 23 -1.156 13.720 -5.065 1.00 0.00 C ATOM 293 CD GLN A 23 -0.661 15.133 -5.303 1.00 0.00 C ATOM 294 OE1 GLN A 23 0.532 15.413 -5.185 1.00 0.00 O ATOM 295 NE2 GLN A 23 -1.578 16.033 -5.640 1.00 0.00 N ATOM 0 H GLN A 23 0.460 10.638 -4.121 1.00 0.00 H new ATOM 0 HA GLN A 23 1.399 13.439 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.268 12.282 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.754 13.876 -2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.841 13.084 -5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.246 13.717 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.556 15.757 -5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.304 17.000 -5.812 1.00 0.00 H new ATOM 304 N LYS A 24 1.924 13.620 -1.878 1.00 0.00 N ATOM 305 CA LYS A 24 2.494 13.612 -0.536 1.00 0.00 C ATOM 306 C LYS A 24 1.402 13.459 0.517 1.00 0.00 C ATOM 307 O LYS A 24 0.419 14.200 0.518 1.00 0.00 O ATOM 308 CB LYS A 24 3.282 14.900 -0.286 1.00 0.00 C ATOM 309 CG LYS A 24 4.274 14.794 0.859 1.00 0.00 C ATOM 310 CD LYS A 24 5.324 15.890 0.790 1.00 0.00 C ATOM 311 CE LYS A 24 6.060 16.041 2.113 1.00 0.00 C ATOM 312 NZ LYS A 24 5.344 16.957 3.044 1.00 0.00 N ATOM 0 H LYS A 24 1.987 14.518 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 24 3.170 12.760 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.818 15.170 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.582 15.709 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.743 14.857 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.761 13.819 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.038 15.662 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.848 16.835 0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.172 15.063 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.064 16.423 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.700 16.817 4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.506 17.943 2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.325 16.752 3.018 1.00 0.00 H new ATOM 326 N ARG A 25 1.582 12.494 1.414 1.00 0.00 N ATOM 327 CA ARG A 25 0.611 12.245 2.473 1.00 0.00 C ATOM 328 C ARG A 25 1.188 12.614 3.837 1.00 0.00 C ATOM 329 O ARG A 25 2.190 12.047 4.273 1.00 0.00 O ATOM 330 CB ARG A 25 0.185 10.776 2.468 1.00 0.00 C ATOM 331 CG ARG A 25 -0.949 10.467 3.432 1.00 0.00 C ATOM 332 CD ARG A 25 -2.305 10.745 2.803 1.00 0.00 C ATOM 333 NE ARG A 25 -2.652 12.163 2.852 1.00 0.00 N ATOM 334 CZ ARG A 25 -3.131 12.765 3.935 1.00 0.00 C ATOM 335 NH1 ARG A 25 -3.319 12.076 5.052 1.00 0.00 N ATOM 336 NH2 ARG A 25 -3.423 14.059 3.902 1.00 0.00 N ATOM 0 H ARG A 25 2.391 11.873 1.428 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.262 12.870 2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.121 10.499 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.045 10.156 2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.895 9.422 3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.835 11.068 4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.299 10.409 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.070 10.167 3.321 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.519 12.721 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.096 11.081 5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.687 12.541 5.882 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.280 14.592 3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.791 14.520 4.734 1.00 0.00 H new ATOM 350 N VAL A 26 0.549 13.569 4.505 1.00 0.00 N ATOM 351 CA VAL A 26 0.998 14.014 5.819 1.00 0.00 C ATOM 352 C VAL A 26 -0.108 13.862 6.858 1.00 0.00 C ATOM 353 O VAL A 26 -0.943 14.746 7.046 1.00 0.00 O ATOM 354 CB VAL A 26 1.458 15.483 5.787 1.00 0.00 C ATOM 355 CG1 VAL A 26 1.975 15.911 7.152 1.00 0.00 C ATOM 356 CG2 VAL A 26 2.522 15.685 4.718 1.00 0.00 C ATOM 0 H VAL A 26 -0.281 14.049 4.158 1.00 0.00 H new ATOM 0 HA VAL A 26 1.842 13.383 6.096 1.00 0.00 H new ATOM 0 HB VAL A 26 0.601 16.108 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.296 16.952 7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.181 15.806 7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.820 15.283 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.836 16.729 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.381 15.050 4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.113 15.421 3.743 1.00 0.00 H new ATOM 366 N PRO A 27 -0.115 12.713 7.551 1.00 0.00 N ATOM 367 CA PRO A 27 -1.112 12.417 8.584 1.00 0.00 C ATOM 368 C PRO A 27 -0.931 13.281 9.828 1.00 0.00 C ATOM 369 O PRO A 27 0.131 13.869 10.037 1.00 0.00 O ATOM 370 CB PRO A 27 -0.856 10.945 8.913 1.00 0.00 C ATOM 371 CG PRO A 27 0.573 10.719 8.555 1.00 0.00 C ATOM 372 CD PRO A 27 0.851 11.615 7.379 1.00 0.00 C ATOM 0 HA PRO A 27 -2.127 12.621 8.242 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.037 10.738 9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.515 10.291 8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.228 10.959 9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.751 9.674 8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.878 11.979 7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.703 11.094 6.433 1.00 0.00 H new ATOM 380 N CYS A 28 -1.972 13.351 10.649 1.00 0.00 N ATOM 381 CA CYS A 28 -1.928 14.144 11.873 1.00 0.00 C ATOM 382 C CYS A 28 -1.117 13.433 12.952 1.00 0.00 C ATOM 383 O CYS A 28 -1.214 12.217 13.115 1.00 0.00 O ATOM 384 CB CYS A 28 -3.345 14.417 12.380 1.00 0.00 C ATOM 385 SG CYS A 28 -4.110 15.894 11.672 1.00 0.00 S ATOM 0 H CYS A 28 -2.857 12.869 10.490 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.443 15.093 11.645 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.972 13.554 12.157 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.318 14.519 13.465 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.306 16.039 12.160 1.00 0.00 H new ATOM 391 N ALA A 29 -0.317 14.200 13.685 1.00 0.00 N ATOM 392 CA ALA A 29 0.511 13.644 14.748 1.00 0.00 C ATOM 393 C ALA A 29 -0.346 12.976 15.818 1.00 0.00 C ATOM 394 O ALA A 29 0.110 12.069 16.516 1.00 0.00 O ATOM 395 CB ALA A 29 1.378 14.731 15.366 1.00 0.00 C ATOM 0 H ALA A 29 -0.225 15.208 13.562 1.00 0.00 H new ATOM 0 HA ALA A 29 1.158 12.884 14.311 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.991 14.301 16.158 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.024 15.161 14.600 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.741 15.511 15.783 1.00 0.00 H new ATOM 401 N TYR A 30 -1.588 13.429 15.943 1.00 0.00 N ATOM 402 CA TYR A 30 -2.508 12.877 16.931 1.00 0.00 C ATOM 403 C TYR A 30 -2.987 11.490 16.514 1.00 0.00 C ATOM 404 O TYR A 30 -3.475 10.716 17.337 1.00 0.00 O ATOM 405 CB TYR A 30 -3.707 13.808 17.118 1.00 0.00 C ATOM 406 CG TYR A 30 -3.328 15.267 17.243 1.00 0.00 C ATOM 407 CD1 TYR A 30 -2.979 15.811 18.473 1.00 0.00 C ATOM 408 CD2 TYR A 30 -3.316 16.100 16.131 1.00 0.00 C ATOM 409 CE1 TYR A 30 -2.633 17.143 18.592 1.00 0.00 C ATOM 410 CE2 TYR A 30 -2.970 17.432 16.241 1.00 0.00 C ATOM 411 CZ TYR A 30 -2.630 17.950 17.473 1.00 0.00 C ATOM 412 OH TYR A 30 -2.284 19.277 17.588 1.00 0.00 O ATOM 0 H TYR A 30 -1.981 14.177 15.372 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.974 12.788 17.877 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.384 13.689 16.272 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.255 13.506 18.011 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.978 15.182 19.351 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.582 15.699 15.164 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.366 17.551 19.556 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.966 18.065 15.366 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.331 19.705 16.708 1.00 0.00 H new ATOM 422 N ASP A 31 -2.842 11.183 15.230 1.00 0.00 N ATOM 423 CA ASP A 31 -3.257 9.889 14.702 1.00 0.00 C ATOM 424 C ASP A 31 -2.079 8.921 14.646 1.00 0.00 C ATOM 425 O ASP A 31 -0.925 9.336 14.538 1.00 0.00 O ATOM 426 CB ASP A 31 -3.864 10.054 13.307 1.00 0.00 C ATOM 427 CG ASP A 31 -4.735 8.877 12.912 1.00 0.00 C ATOM 428 OD1 ASP A 31 -4.552 7.785 13.488 1.00 0.00 O ATOM 429 OD2 ASP A 31 -5.598 9.049 12.026 1.00 0.00 O ATOM 0 H ASP A 31 -2.440 11.813 14.535 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.011 9.476 15.372 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.458 10.968 13.278 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.063 10.171 12.577 1.00 0.00 H new ATOM 434 N LYS A 32 -2.378 7.628 14.721 1.00 0.00 N ATOM 435 CA LYS A 32 -1.345 6.600 14.679 1.00 0.00 C ATOM 436 C LYS A 32 -1.589 5.631 13.527 1.00 0.00 C ATOM 437 O LYS A 32 -0.654 5.216 12.842 1.00 0.00 O ATOM 438 CB LYS A 32 -1.305 5.835 16.004 1.00 0.00 C ATOM 439 CG LYS A 32 -0.691 6.626 17.145 1.00 0.00 C ATOM 440 CD LYS A 32 -1.711 7.540 17.803 1.00 0.00 C ATOM 441 CE LYS A 32 -1.162 8.164 19.077 1.00 0.00 C ATOM 442 NZ LYS A 32 -1.193 7.210 20.220 1.00 0.00 N ATOM 0 H LYS A 32 -3.328 7.267 14.811 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.385 7.090 14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.320 5.547 16.278 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.738 4.914 15.865 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.284 5.939 17.887 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.142 7.220 16.770 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.999 8.327 17.106 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.613 6.973 18.034 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.137 8.494 18.907 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.745 9.050 19.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.811 7.673 21.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.174 6.914 20.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.616 6.375 19.991 1.00 0.00 H new ATOM 456 N THR A 33 -2.852 5.273 13.317 1.00 0.00 N ATOM 457 CA THR A 33 -3.219 4.353 12.248 1.00 0.00 C ATOM 458 C THR A 33 -2.946 4.965 10.879 1.00 0.00 C ATOM 459 O THR A 33 -2.668 4.252 9.915 1.00 0.00 O ATOM 460 CB THR A 33 -4.705 3.956 12.333 1.00 0.00 C ATOM 461 OG1 THR A 33 -5.523 5.130 12.393 1.00 0.00 O ATOM 462 CG2 THR A 33 -4.964 3.088 13.556 1.00 0.00 C ATOM 0 H THR A 33 -3.639 5.607 13.874 1.00 0.00 H new ATOM 0 HA THR A 33 -2.605 3.461 12.374 1.00 0.00 H new ATOM 0 HB THR A 33 -4.957 3.383 11.441 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.466 4.869 12.445 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.020 2.820 13.595 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.362 2.182 13.493 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.696 3.640 14.457 1.00 0.00 H new ATOM 470 N ALA A 34 -3.025 6.289 10.801 1.00 0.00 N ATOM 471 CA ALA A 34 -2.784 6.996 9.550 1.00 0.00 C ATOM 472 C ALA A 34 -1.351 6.791 9.071 1.00 0.00 C ATOM 473 O ALA A 34 -0.401 7.249 9.707 1.00 0.00 O ATOM 474 CB ALA A 34 -3.079 8.480 9.716 1.00 0.00 C ATOM 0 H ALA A 34 -3.254 6.894 11.590 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.455 6.586 8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.894 8.995 8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.122 8.614 10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.432 8.895 10.489 1.00 0.00 H new ATOM 480 N LEU A 35 -1.201 6.099 7.946 1.00 0.00 N ATOM 481 CA LEU A 35 0.117 5.832 7.382 1.00 0.00 C ATOM 482 C LEU A 35 0.674 7.072 6.689 1.00 0.00 C ATOM 483 O LEU A 35 -0.017 7.720 5.905 1.00 0.00 O ATOM 484 CB LEU A 35 0.043 4.670 6.390 1.00 0.00 C ATOM 485 CG LEU A 35 1.307 3.819 6.258 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.090 2.693 5.259 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.490 4.682 5.844 1.00 0.00 C ATOM 0 H LEU A 35 -1.976 5.713 7.407 1.00 0.00 H new ATOM 0 HA LEU A 35 0.787 5.563 8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.780 4.019 6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.204 5.072 5.408 1.00 0.00 H new ATOM 0 HG LEU A 35 1.528 3.377 7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.000 2.098 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.271 2.059 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.844 3.114 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.381 4.060 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.279 5.153 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.659 5.452 6.596 1.00 0.00 H new ATOM 499 N ALA A 36 1.930 7.394 6.984 1.00 0.00 N ATOM 500 CA ALA A 36 2.581 8.553 6.386 1.00 0.00 C ATOM 501 C ALA A 36 3.408 8.151 5.170 1.00 0.00 C ATOM 502 O ALA A 36 4.151 7.169 5.208 1.00 0.00 O ATOM 503 CB ALA A 36 3.456 9.254 7.414 1.00 0.00 C ATOM 0 H ALA A 36 2.516 6.869 7.633 1.00 0.00 H new ATOM 0 HA ALA A 36 1.806 9.243 6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.936 10.118 6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.841 9.584 8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.219 8.564 7.774 1.00 0.00 H new ATOM 509 N LEU A 37 3.275 8.915 4.091 1.00 0.00 N ATOM 510 CA LEU A 37 4.010 8.638 2.862 1.00 0.00 C ATOM 511 C LEU A 37 4.444 9.933 2.183 1.00 0.00 C ATOM 512 O LEU A 37 3.935 11.009 2.495 1.00 0.00 O ATOM 513 CB LEU A 37 3.150 7.811 1.905 1.00 0.00 C ATOM 514 CG LEU A 37 2.558 6.523 2.477 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.460 5.990 1.569 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.646 5.476 2.671 1.00 0.00 C ATOM 0 H LEU A 37 2.665 9.731 4.043 1.00 0.00 H new ATOM 0 HA LEU A 37 4.902 8.069 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.331 8.437 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.754 7.554 1.035 1.00 0.00 H new ATOM 0 HG LEU A 37 2.120 6.748 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.051 5.073 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.668 6.734 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.873 5.781 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.206 4.566 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.113 5.255 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.398 5.857 3.362 1.00 0.00 H new ATOM 528 N GLU A 38 5.387 9.821 1.253 1.00 0.00 N ATOM 529 CA GLU A 38 5.888 10.983 0.530 1.00 0.00 C ATOM 530 C GLU A 38 5.969 10.700 -0.967 1.00 0.00 C ATOM 531 O GLU A 38 6.249 9.575 -1.383 1.00 0.00 O ATOM 532 CB GLU A 38 7.267 11.386 1.059 1.00 0.00 C ATOM 533 CG GLU A 38 7.218 12.113 2.392 1.00 0.00 C ATOM 534 CD GLU A 38 8.543 12.069 3.129 1.00 0.00 C ATOM 535 OE1 GLU A 38 9.199 11.007 3.108 1.00 0.00 O ATOM 536 OE2 GLU A 38 8.923 13.098 3.727 1.00 0.00 O ATOM 0 H GLU A 38 5.819 8.937 0.983 1.00 0.00 H new ATOM 0 HA GLU A 38 5.191 11.805 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.882 10.492 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.757 12.025 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.934 13.152 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.444 11.667 3.017 1.00 0.00 H new ATOM 543 N VAL A 39 5.722 11.728 -1.773 1.00 0.00 N ATOM 544 CA VAL A 39 5.767 11.591 -3.224 1.00 0.00 C ATOM 545 C VAL A 39 6.919 10.690 -3.655 1.00 0.00 C ATOM 546 O VAL A 39 8.087 11.038 -3.490 1.00 0.00 O ATOM 547 CB VAL A 39 5.914 12.960 -3.913 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.933 12.798 -5.425 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.794 13.896 -3.483 1.00 0.00 C ATOM 0 H VAL A 39 5.489 12.665 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 39 4.823 11.140 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 39 6.863 13.401 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.037 13.776 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.773 12.166 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.002 12.336 -5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.914 14.859 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.832 13.463 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.833 14.038 -2.403 1.00 0.00 H new ATOM 559 N GLY A 40 6.581 9.530 -4.210 1.00 0.00 N ATOM 560 CA GLY A 40 7.598 8.597 -4.657 1.00 0.00 C ATOM 561 C GLY A 40 7.912 7.539 -3.618 1.00 0.00 C ATOM 562 O GLY A 40 9.075 7.202 -3.397 1.00 0.00 O ATOM 0 H GLY A 40 5.621 9.220 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.264 8.113 -5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.508 9.145 -4.899 1.00 0.00 H new ATOM 566 N ASP A 41 6.872 7.015 -2.978 1.00 0.00 N ATOM 567 CA ASP A 41 7.042 5.989 -1.956 1.00 0.00 C ATOM 568 C ASP A 41 6.181 4.768 -2.263 1.00 0.00 C ATOM 569 O ASP A 41 4.957 4.865 -2.346 1.00 0.00 O ATOM 570 CB ASP A 41 6.683 6.548 -0.578 1.00 0.00 C ATOM 571 CG ASP A 41 7.861 7.221 0.099 1.00 0.00 C ATOM 572 OD1 ASP A 41 8.924 6.578 0.217 1.00 0.00 O ATOM 573 OD2 ASP A 41 7.719 8.392 0.512 1.00 0.00 O ATOM 0 H ASP A 41 5.903 7.284 -3.149 1.00 0.00 H new ATOM 0 HA ASP A 41 8.088 5.682 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.869 7.265 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.317 5.739 0.055 1.00 0.00 H new ATOM 578 N ILE A 42 6.830 3.621 -2.432 1.00 0.00 N ATOM 579 CA ILE A 42 6.124 2.381 -2.731 1.00 0.00 C ATOM 580 C ILE A 42 5.413 1.842 -1.494 1.00 0.00 C ATOM 581 O ILE A 42 6.032 1.629 -0.452 1.00 0.00 O ATOM 582 CB ILE A 42 7.082 1.303 -3.269 1.00 0.00 C ATOM 583 CG1 ILE A 42 7.760 1.786 -4.553 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.332 0.003 -3.517 1.00 0.00 C ATOM 585 CD1 ILE A 42 6.785 2.181 -5.639 1.00 0.00 C ATOM 0 H ILE A 42 7.843 3.524 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 42 5.386 2.615 -3.499 1.00 0.00 H new ATOM 0 HB ILE A 42 7.853 1.118 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.396 2.640 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.411 0.997 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.023 -0.749 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.892 -0.347 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.542 0.173 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.336 2.513 -6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.165 1.324 -5.901 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.150 2.992 -5.281 1.00 0.00 H new ATOM 597 N VAL A 43 4.107 1.622 -1.617 1.00 0.00 N ATOM 598 CA VAL A 43 3.311 1.105 -0.511 1.00 0.00 C ATOM 599 C VAL A 43 2.898 -0.341 -0.760 1.00 0.00 C ATOM 600 O VAL A 43 1.974 -0.611 -1.528 1.00 0.00 O ATOM 601 CB VAL A 43 2.049 1.957 -0.282 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.368 1.563 1.020 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.397 3.437 -0.284 1.00 0.00 C ATOM 0 H VAL A 43 3.579 1.794 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 43 3.938 1.152 0.380 1.00 0.00 H new ATOM 0 HB VAL A 43 1.353 1.770 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.478 2.176 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.082 0.512 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.055 1.719 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.493 4.024 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.112 3.644 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.836 3.706 -1.245 1.00 0.00 H new ATOM 613 N LYS A 44 3.588 -1.269 -0.106 1.00 0.00 N ATOM 614 CA LYS A 44 3.292 -2.689 -0.254 1.00 0.00 C ATOM 615 C LYS A 44 2.092 -3.087 0.599 1.00 0.00 C ATOM 616 O LYS A 44 2.181 -3.147 1.825 1.00 0.00 O ATOM 617 CB LYS A 44 4.511 -3.528 0.138 1.00 0.00 C ATOM 618 CG LYS A 44 4.395 -4.990 -0.256 1.00 0.00 C ATOM 619 CD LYS A 44 5.417 -5.847 0.471 1.00 0.00 C ATOM 620 CE LYS A 44 4.965 -6.174 1.886 1.00 0.00 C ATOM 621 NZ LYS A 44 4.055 -7.353 1.918 1.00 0.00 N ATOM 0 H LYS A 44 4.357 -1.063 0.532 1.00 0.00 H new ATOM 0 HA LYS A 44 3.050 -2.877 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.399 -3.104 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.656 -3.461 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.391 -5.350 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.535 -5.090 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.578 -6.772 -0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.373 -5.325 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.837 -6.371 2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.456 -5.310 2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.649 -7.452 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.289 -7.219 1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.591 -8.212 1.679 1.00 0.00 H new ATOM 635 N VAL A 45 0.969 -3.359 -0.059 1.00 0.00 N ATOM 636 CA VAL A 45 -0.249 -3.754 0.639 1.00 0.00 C ATOM 637 C VAL A 45 -0.537 -5.238 0.445 1.00 0.00 C ATOM 638 O VAL A 45 -0.588 -5.730 -0.683 1.00 0.00 O ATOM 639 CB VAL A 45 -1.463 -2.939 0.155 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.405 -2.739 -1.352 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.759 -3.623 0.561 1.00 0.00 C ATOM 0 H VAL A 45 0.878 -3.313 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.086 -3.554 1.698 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.433 -1.958 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.271 -2.161 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.493 -2.203 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.410 -3.709 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.607 -3.034 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.800 -4.617 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.800 -3.709 1.647 1.00 0.00 H new ATOM 651 N THR A 46 -0.726 -5.949 1.552 1.00 0.00 N ATOM 652 CA THR A 46 -1.008 -7.378 1.505 1.00 0.00 C ATOM 653 C THR A 46 -2.490 -7.653 1.731 1.00 0.00 C ATOM 654 O THR A 46 -3.012 -8.683 1.303 1.00 0.00 O ATOM 655 CB THR A 46 -0.188 -8.148 2.557 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.548 -7.713 3.873 1.00 0.00 O ATOM 657 CG2 THR A 46 1.303 -7.941 2.339 1.00 0.00 C ATOM 0 H THR A 46 -0.689 -5.558 2.493 1.00 0.00 H new ATOM 0 HA THR A 46 -0.724 -7.724 0.511 1.00 0.00 H new ATOM 0 HB THR A 46 -0.410 -9.210 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.024 -8.208 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.861 -8.494 3.094 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.579 -8.300 1.348 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.539 -6.880 2.419 1.00 0.00 H new ATOM 665 N ARG A 47 -3.164 -6.726 2.404 1.00 0.00 N ATOM 666 CA ARG A 47 -4.587 -6.869 2.686 1.00 0.00 C ATOM 667 C ARG A 47 -5.354 -5.619 2.265 1.00 0.00 C ATOM 668 O ARG A 47 -5.039 -4.511 2.697 1.00 0.00 O ATOM 669 CB ARG A 47 -4.808 -7.138 4.176 1.00 0.00 C ATOM 670 CG ARG A 47 -6.126 -7.832 4.481 1.00 0.00 C ATOM 671 CD ARG A 47 -6.069 -8.580 5.803 1.00 0.00 C ATOM 672 NE ARG A 47 -5.577 -9.946 5.638 1.00 0.00 N ATOM 673 CZ ARG A 47 -6.272 -10.910 5.045 1.00 0.00 C ATOM 674 NH1 ARG A 47 -7.481 -10.659 4.561 1.00 0.00 N ATOM 675 NH2 ARG A 47 -5.757 -12.128 4.933 1.00 0.00 N ATOM 0 H ARG A 47 -2.747 -5.868 2.764 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.962 -7.715 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.989 -7.751 4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.772 -6.192 4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.928 -7.094 4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.366 -8.529 3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.422 -8.043 6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.063 -8.604 6.249 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.650 -10.171 5.998 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.879 -9.724 4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.012 -11.401 4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.827 -12.324 5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.291 -12.868 4.477 1.00 0.00 H new ATOM 689 N MET A 48 -6.361 -5.807 1.418 1.00 0.00 N ATOM 690 CA MET A 48 -7.173 -4.694 0.939 1.00 0.00 C ATOM 691 C MET A 48 -8.618 -4.835 1.407 1.00 0.00 C ATOM 692 O MET A 48 -9.393 -5.599 0.834 1.00 0.00 O ATOM 693 CB MET A 48 -7.123 -4.620 -0.588 1.00 0.00 C ATOM 694 CG MET A 48 -5.943 -3.823 -1.120 1.00 0.00 C ATOM 695 SD MET A 48 -5.699 -4.042 -2.893 1.00 0.00 S ATOM 696 CE MET A 48 -4.977 -2.464 -3.333 1.00 0.00 C ATOM 0 H MET A 48 -6.634 -6.718 1.050 1.00 0.00 H new ATOM 0 HA MET A 48 -6.764 -3.772 1.354 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.079 -5.632 -0.991 1.00 0.00 H new ATOM 0 HB3 MET A 48 -8.047 -4.172 -0.952 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.098 -2.765 -0.907 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.038 -4.125 -0.593 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.335 -2.588 -4.205 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.770 -1.753 -3.564 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.385 -2.089 -2.498 1.00 0.00 H new ATOM 706 N ASN A 49 -8.972 -4.093 2.451 1.00 0.00 N ATOM 707 CA ASN A 49 -10.325 -4.137 2.996 1.00 0.00 C ATOM 708 C ASN A 49 -11.329 -3.555 2.005 1.00 0.00 C ATOM 709 O ASN A 49 -11.117 -2.475 1.453 1.00 0.00 O ATOM 710 CB ASN A 49 -10.390 -3.368 4.317 1.00 0.00 C ATOM 711 CG ASN A 49 -9.152 -3.574 5.168 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.394 -4.522 4.961 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.942 -2.686 6.132 1.00 0.00 N ATOM 0 H ASN A 49 -8.342 -3.454 2.937 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.584 -5.180 3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.512 -2.305 4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.269 -3.687 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.126 -2.774 6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.597 -1.916 6.267 1.00 0.00 H new ATOM 720 N ILE A 50 -12.422 -4.278 1.786 1.00 0.00 N ATOM 721 CA ILE A 50 -13.460 -3.833 0.864 1.00 0.00 C ATOM 722 C ILE A 50 -13.874 -2.395 1.156 1.00 0.00 C ATOM 723 O ILE A 50 -14.012 -1.581 0.243 1.00 0.00 O ATOM 724 CB ILE A 50 -14.704 -4.738 0.937 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.328 -6.185 0.612 1.00 0.00 C ATOM 726 CG2 ILE A 50 -15.779 -4.238 -0.015 1.00 0.00 C ATOM 727 CD1 ILE A 50 -15.394 -7.187 0.997 1.00 0.00 C ATOM 0 H ILE A 50 -12.612 -5.174 2.234 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.037 -3.891 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.101 -4.704 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.130 -6.269 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.401 -6.436 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.652 -4.888 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.063 -3.222 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.394 -4.245 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -15.060 -8.192 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.576 -7.131 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -16.316 -6.962 0.461 1.00 0.00 H new ATOM 739 N ASN A 51 -14.068 -2.088 2.434 1.00 0.00 N ATOM 740 CA ASN A 51 -14.465 -0.746 2.847 1.00 0.00 C ATOM 741 C ASN A 51 -13.722 0.313 2.038 1.00 0.00 C ATOM 742 O ASN A 51 -14.332 1.224 1.480 1.00 0.00 O ATOM 743 CB ASN A 51 -14.194 -0.548 4.339 1.00 0.00 C ATOM 744 CG ASN A 51 -14.251 0.911 4.748 1.00 0.00 C ATOM 745 OD1 ASN A 51 -15.322 1.516 4.784 1.00 0.00 O ATOM 746 ND2 ASN A 51 -13.094 1.483 5.059 1.00 0.00 N ATOM 0 H ASN A 51 -13.957 -2.750 3.202 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.534 -0.636 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.925 -1.113 4.917 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -13.212 -0.953 4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.069 2.463 5.342 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.230 0.943 5.015 1.00 0.00 H new ATOM 753 N GLY A 52 -12.400 0.186 1.980 1.00 0.00 N ATOM 754 CA GLY A 52 -11.595 1.139 1.238 1.00 0.00 C ATOM 755 C GLY A 52 -10.189 1.265 1.790 1.00 0.00 C ATOM 756 O GLY A 52 -9.216 1.229 1.038 1.00 0.00 O ATOM 0 H GLY A 52 -11.872 -0.560 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.546 0.832 0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.080 2.115 1.261 1.00 0.00 H new ATOM 760 N GLN A 53 -10.083 1.414 3.106 1.00 0.00 N ATOM 761 CA GLN A 53 -8.785 1.549 3.757 1.00 0.00 C ATOM 762 C GLN A 53 -8.035 0.221 3.755 1.00 0.00 C ATOM 763 O GLN A 53 -8.521 -0.778 4.285 1.00 0.00 O ATOM 764 CB GLN A 53 -8.960 2.047 5.193 1.00 0.00 C ATOM 765 CG GLN A 53 -9.174 3.548 5.294 1.00 0.00 C ATOM 766 CD GLN A 53 -10.637 3.937 5.210 1.00 0.00 C ATOM 767 OE1 GLN A 53 -11.180 4.121 4.120 1.00 0.00 O ATOM 768 NE2 GLN A 53 -11.283 4.065 6.363 1.00 0.00 N ATOM 0 H GLN A 53 -10.880 1.444 3.742 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.199 2.278 3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.810 1.536 5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.079 1.774 5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.760 3.907 6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.624 4.044 4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.793 3.903 7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.269 4.325 6.369 1.00 0.00 H new ATOM 777 N TRP A 54 -6.851 0.217 3.155 1.00 0.00 N ATOM 778 CA TRP A 54 -6.034 -0.989 3.083 1.00 0.00 C ATOM 779 C TRP A 54 -4.912 -0.948 4.115 1.00 0.00 C ATOM 780 O TRP A 54 -4.707 0.065 4.782 1.00 0.00 O ATOM 781 CB TRP A 54 -5.447 -1.150 1.680 1.00 0.00 C ATOM 782 CG TRP A 54 -6.431 -0.858 0.588 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.775 -1.097 0.611 1.00 0.00 C ATOM 784 CD2 TRP A 54 -6.147 -0.276 -0.689 1.00 0.00 C ATOM 785 NE1 TRP A 54 -8.344 -0.698 -0.575 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.366 -0.189 -1.388 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.981 0.184 -1.308 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.450 0.336 -2.675 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -5.066 0.705 -2.585 1.00 0.00 C ATOM 790 CH2 TRP A 54 -6.294 0.778 -3.257 1.00 0.00 C ATOM 0 H TRP A 54 -6.435 1.035 2.711 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.673 -1.844 3.302 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.590 -0.485 1.574 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.077 -2.169 1.563 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.312 -1.535 1.439 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.334 -0.769 -0.811 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.031 0.133 -0.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.395 0.392 -3.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.171 1.062 -3.073 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.328 1.191 -4.254 1.00 0.00 H new ATOM 801 N GLU A 55 -4.189 -2.057 4.241 1.00 0.00 N ATOM 802 CA GLU A 55 -3.088 -2.146 5.193 1.00 0.00 C ATOM 803 C GLU A 55 -1.765 -2.387 4.474 1.00 0.00 C ATOM 804 O GLU A 55 -1.578 -3.414 3.822 1.00 0.00 O ATOM 805 CB GLU A 55 -3.346 -3.269 6.200 1.00 0.00 C ATOM 806 CG GLU A 55 -2.643 -3.065 7.532 1.00 0.00 C ATOM 807 CD GLU A 55 -2.420 -4.366 8.279 1.00 0.00 C ATOM 808 OE1 GLU A 55 -3.417 -4.975 8.722 1.00 0.00 O ATOM 809 OE2 GLU A 55 -1.249 -4.775 8.420 1.00 0.00 O ATOM 0 H GLU A 55 -4.346 -2.905 3.696 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.024 -1.197 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.419 -3.351 6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.020 -4.215 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.682 -2.579 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.235 -2.391 8.152 1.00 0.00 H new ATOM 816 N GLY A 56 -0.848 -1.431 4.597 1.00 0.00 N ATOM 817 CA GLY A 56 0.446 -1.558 3.952 1.00 0.00 C ATOM 818 C GLY A 56 1.588 -1.149 4.861 1.00 0.00 C ATOM 819 O GLY A 56 1.393 -0.389 5.810 1.00 0.00 O ATOM 0 H GLY A 56 -0.978 -0.572 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.590 -2.590 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.463 -0.942 3.053 1.00 0.00 H new ATOM 823 N GLU A 57 2.783 -1.655 4.572 1.00 0.00 N ATOM 824 CA GLU A 57 3.960 -1.340 5.373 1.00 0.00 C ATOM 825 C GLU A 57 4.952 -0.498 4.575 1.00 0.00 C ATOM 826 O GLU A 57 5.382 -0.889 3.490 1.00 0.00 O ATOM 827 CB GLU A 57 4.636 -2.625 5.855 1.00 0.00 C ATOM 828 CG GLU A 57 5.727 -2.389 6.886 1.00 0.00 C ATOM 829 CD GLU A 57 6.661 -3.575 7.028 1.00 0.00 C ATOM 830 OE1 GLU A 57 7.622 -3.671 6.236 1.00 0.00 O ATOM 831 OE2 GLU A 57 6.432 -4.407 7.931 1.00 0.00 O ATOM 0 H GLU A 57 2.961 -2.284 3.789 1.00 0.00 H new ATOM 0 HA GLU A 57 3.635 -0.763 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.881 -3.285 6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.064 -3.144 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.304 -1.508 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.269 -2.174 7.852 1.00 0.00 H new ATOM 838 N VAL A 58 5.309 0.660 5.120 1.00 0.00 N ATOM 839 CA VAL A 58 6.250 1.557 4.460 1.00 0.00 C ATOM 840 C VAL A 58 7.219 2.172 5.464 1.00 0.00 C ATOM 841 O VAL A 58 6.805 2.759 6.463 1.00 0.00 O ATOM 842 CB VAL A 58 5.518 2.687 3.712 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.516 3.686 3.145 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.641 2.113 2.609 1.00 0.00 C ATOM 0 H VAL A 58 4.961 0.999 6.017 1.00 0.00 H new ATOM 0 HA VAL A 58 6.808 0.957 3.741 1.00 0.00 H new ATOM 0 HB VAL A 58 4.877 3.212 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.981 4.477 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.098 4.120 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.185 3.178 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.131 2.925 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.261 1.563 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.902 1.440 3.045 1.00 0.00 H new ATOM 854 N ASN A 59 8.513 2.034 5.191 1.00 0.00 N ATOM 855 CA ASN A 59 9.542 2.577 6.070 1.00 0.00 C ATOM 856 C ASN A 59 9.324 2.119 7.509 1.00 0.00 C ATOM 857 O ASN A 59 9.458 2.903 8.448 1.00 0.00 O ATOM 858 CB ASN A 59 9.544 4.105 6.004 1.00 0.00 C ATOM 859 CG ASN A 59 10.469 4.636 4.926 1.00 0.00 C ATOM 860 OD1 ASN A 59 11.619 4.985 5.195 1.00 0.00 O ATOM 861 ND2 ASN A 59 9.970 4.699 3.697 1.00 0.00 N ATOM 0 H ASN A 59 8.873 1.551 4.368 1.00 0.00 H new ATOM 0 HA ASN A 59 10.509 2.204 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.530 4.459 5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.848 4.507 6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.545 5.047 2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.011 4.399 3.520 1.00 0.00 H new ATOM 868 N GLY A 60 8.988 0.843 7.674 1.00 0.00 N ATOM 869 CA GLY A 60 8.758 0.302 9.001 1.00 0.00 C ATOM 870 C GLY A 60 7.546 0.916 9.675 1.00 0.00 C ATOM 871 O GLY A 60 7.548 1.139 10.886 1.00 0.00 O ATOM 0 H GLY A 60 8.871 0.175 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.624 -0.777 8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.640 0.474 9.618 1.00 0.00 H new ATOM 875 N ARG A 61 6.510 1.191 8.890 1.00 0.00 N ATOM 876 CA ARG A 61 5.288 1.785 9.417 1.00 0.00 C ATOM 877 C ARG A 61 4.059 1.212 8.718 1.00 0.00 C ATOM 878 O ARG A 61 3.971 1.216 7.490 1.00 0.00 O ATOM 879 CB ARG A 61 5.321 3.306 9.249 1.00 0.00 C ATOM 880 CG ARG A 61 6.068 4.025 10.361 1.00 0.00 C ATOM 881 CD ARG A 61 5.999 5.535 10.192 1.00 0.00 C ATOM 882 NE ARG A 61 4.647 6.047 10.397 1.00 0.00 N ATOM 883 CZ ARG A 61 4.146 6.341 11.591 1.00 0.00 C ATOM 884 NH1 ARG A 61 4.881 6.173 12.682 1.00 0.00 N ATOM 885 NH2 ARG A 61 2.907 6.803 11.696 1.00 0.00 N ATOM 0 H ARG A 61 6.493 1.012 7.886 1.00 0.00 H new ATOM 0 HA ARG A 61 5.226 1.545 10.478 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.788 3.548 8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.298 3.681 9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.644 3.746 11.326 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.110 3.706 10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.678 6.010 10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.341 5.804 9.193 1.00 0.00 H new ATOM 0 HE ARG A 61 4.055 6.186 9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.834 5.817 12.605 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.494 6.400 13.598 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.338 6.933 10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.523 7.029 12.614 1.00 0.00 H new ATOM 899 N LYS A 62 3.111 0.720 9.508 1.00 0.00 N ATOM 900 CA LYS A 62 1.886 0.144 8.967 1.00 0.00 C ATOM 901 C LYS A 62 0.670 0.973 9.369 1.00 0.00 C ATOM 902 O LYS A 62 0.386 1.142 10.554 1.00 0.00 O ATOM 903 CB LYS A 62 1.717 -1.297 9.454 1.00 0.00 C ATOM 904 CG LYS A 62 2.626 -2.288 8.748 1.00 0.00 C ATOM 905 CD LYS A 62 2.188 -3.722 8.998 1.00 0.00 C ATOM 906 CE LYS A 62 2.795 -4.275 10.278 1.00 0.00 C ATOM 907 NZ LYS A 62 1.968 -3.945 11.472 1.00 0.00 N ATOM 0 H LYS A 62 3.168 0.709 10.526 1.00 0.00 H new ATOM 0 HA LYS A 62 1.963 0.147 7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.914 -1.335 10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.680 -1.601 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.623 -2.087 7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.651 -2.154 9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.101 -3.766 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.484 -4.346 8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.896 -5.357 10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.799 -3.870 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.567 -3.503 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.211 -3.286 11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.547 -4.816 11.854 1.00 0.00 H new ATOM 921 N GLY A 63 -0.044 1.489 8.373 1.00 0.00 N ATOM 922 CA GLY A 63 -1.222 2.293 8.644 1.00 0.00 C ATOM 923 C GLY A 63 -2.222 2.259 7.506 1.00 0.00 C ATOM 924 O GLY A 63 -1.923 1.756 6.421 1.00 0.00 O ATOM 0 H GLY A 63 0.172 1.365 7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.701 1.934 9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.920 3.324 8.827 1.00 0.00 H new ATOM 928 N LEU A 64 -3.413 2.793 7.751 1.00 0.00 N ATOM 929 CA LEU A 64 -4.463 2.820 6.738 1.00 0.00 C ATOM 930 C LEU A 64 -4.308 4.032 5.826 1.00 0.00 C ATOM 931 O LEU A 64 -4.315 5.174 6.286 1.00 0.00 O ATOM 932 CB LEU A 64 -5.840 2.840 7.403 1.00 0.00 C ATOM 933 CG LEU A 64 -6.250 1.563 8.138 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.682 1.671 8.637 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.087 0.351 7.233 1.00 0.00 C ATOM 0 H LEU A 64 -3.676 3.213 8.642 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.373 1.919 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.867 3.668 8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.587 3.051 6.638 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.596 1.437 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.956 0.753 9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.766 2.515 9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.352 1.822 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.383 -0.549 7.773 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.716 0.469 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.045 0.263 6.926 1.00 0.00 H new ATOM 947 N PHE A 65 -4.170 3.777 4.529 1.00 0.00 N ATOM 948 CA PHE A 65 -4.015 4.847 3.551 1.00 0.00 C ATOM 949 C PHE A 65 -5.080 4.748 2.462 1.00 0.00 C ATOM 950 O PHE A 65 -5.479 3.660 2.046 1.00 0.00 O ATOM 951 CB PHE A 65 -2.621 4.795 2.923 1.00 0.00 C ATOM 952 CG PHE A 65 -2.336 3.509 2.201 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.997 2.365 2.905 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.406 3.445 0.819 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.735 1.180 2.244 1.00 0.00 C ATOM 956 CE2 PHE A 65 -2.145 2.263 0.153 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.808 1.129 0.866 1.00 0.00 C ATOM 0 H PHE A 65 -4.162 2.838 4.131 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.137 5.798 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.515 5.625 2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.874 4.937 3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.937 2.400 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.667 4.329 0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.473 0.295 2.805 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.204 2.226 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.602 0.205 0.347 1.00 0.00 H new ATOM 967 N PRO A 66 -5.551 5.911 1.988 1.00 0.00 N ATOM 968 CA PRO A 66 -6.575 5.982 0.942 1.00 0.00 C ATOM 969 C PRO A 66 -6.049 5.530 -0.416 1.00 0.00 C ATOM 970 O PRO A 66 -4.845 5.562 -0.668 1.00 0.00 O ATOM 971 CB PRO A 66 -6.942 7.468 0.906 1.00 0.00 C ATOM 972 CG PRO A 66 -5.734 8.169 1.422 1.00 0.00 C ATOM 973 CD PRO A 66 -5.121 7.245 2.438 1.00 0.00 C ATOM 0 HA PRO A 66 -7.419 5.325 1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.185 7.791 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.815 7.675 1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.033 8.383 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.001 9.124 1.874 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.035 7.332 2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.476 7.463 3.445 1.00 0.00 H new ATOM 981 N PHE A 67 -6.960 5.110 -1.288 1.00 0.00 N ATOM 982 CA PHE A 67 -6.587 4.651 -2.621 1.00 0.00 C ATOM 983 C PHE A 67 -6.561 5.813 -3.609 1.00 0.00 C ATOM 984 O PHE A 67 -6.015 5.699 -4.707 1.00 0.00 O ATOM 985 CB PHE A 67 -7.563 3.577 -3.105 1.00 0.00 C ATOM 986 CG PHE A 67 -9.000 4.010 -3.063 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.555 4.721 -4.115 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.797 3.707 -1.971 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.877 5.121 -4.078 1.00 0.00 C ATOM 990 CE2 PHE A 67 -11.120 4.105 -1.928 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.661 4.812 -2.984 1.00 0.00 C ATOM 0 H PHE A 67 -7.961 5.078 -1.096 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.586 4.223 -2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.306 3.298 -4.127 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.443 2.685 -2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.947 4.965 -4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.379 3.153 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.297 5.675 -4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.730 3.864 -1.070 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.695 5.123 -2.954 1.00 0.00 H new ATOM 1001 N THR A 68 -7.156 6.934 -3.211 1.00 0.00 N ATOM 1002 CA THR A 68 -7.203 8.117 -4.061 1.00 0.00 C ATOM 1003 C THR A 68 -5.897 8.899 -3.988 1.00 0.00 C ATOM 1004 O THR A 68 -5.668 9.821 -4.772 1.00 0.00 O ATOM 1005 CB THR A 68 -8.367 9.046 -3.666 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.321 9.319 -2.261 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.705 8.417 -4.022 1.00 0.00 C ATOM 0 H THR A 68 -7.612 7.047 -2.305 1.00 0.00 H new ATOM 0 HA THR A 68 -7.357 7.767 -5.082 1.00 0.00 H new ATOM 0 HB THR A 68 -8.263 9.979 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.063 9.911 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.512 9.091 -3.734 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.748 8.237 -5.096 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.815 7.471 -3.491 1.00 0.00 H new ATOM 1015 N HIS A 69 -5.041 8.525 -3.042 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.755 9.192 -2.868 1.00 0.00 C ATOM 1017 C HIS A 69 -2.656 8.462 -3.635 1.00 0.00 C ATOM 1018 O HIS A 69 -1.749 9.087 -4.185 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.393 9.268 -1.384 1.00 0.00 C ATOM 1020 CG HIS A 69 -4.019 10.428 -0.674 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -5.352 10.466 -0.324 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -3.486 11.596 -0.245 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -5.613 11.608 0.287 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -4.496 12.312 0.348 1.00 0.00 N ATOM 0 H HIS A 69 -5.214 7.764 -2.385 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.841 10.203 -3.266 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.702 8.344 -0.895 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.309 9.334 -1.286 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.457 11.907 -0.350 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.575 11.914 0.671 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.400 13.237 0.767 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.744 7.136 -3.667 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.758 6.321 -4.367 1.00 0.00 C ATOM 1035 C VAL A 70 -2.299 5.834 -5.706 1.00 0.00 C ATOM 1036 O VAL A 70 -3.490 5.963 -5.992 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.335 5.104 -3.523 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.781 5.553 -2.179 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.507 4.153 -3.335 1.00 0.00 C ATOM 0 H VAL A 70 -3.488 6.603 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.888 6.955 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.546 4.571 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.487 4.680 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.088 6.192 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.546 6.110 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.190 3.299 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.319 4.672 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.853 3.805 -4.308 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.416 5.273 -6.525 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.804 4.763 -7.835 1.00 0.00 C ATOM 1051 C LYS A 71 -1.193 3.388 -8.087 1.00 0.00 C ATOM 1052 O LYS A 71 0.015 3.199 -7.937 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.367 5.735 -8.933 1.00 0.00 C ATOM 1054 CG LYS A 71 -2.083 5.521 -10.255 1.00 0.00 C ATOM 1055 CD LYS A 71 -1.780 6.638 -11.241 1.00 0.00 C ATOM 1056 CE LYS A 71 -2.928 6.847 -12.216 1.00 0.00 C ATOM 1057 NZ LYS A 71 -2.491 7.575 -13.440 1.00 0.00 N ATOM 0 H LYS A 71 -0.427 5.160 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.890 4.668 -7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.544 6.756 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.293 5.633 -9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.781 4.565 -10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.158 5.468 -10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.590 7.563 -10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.871 6.401 -11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.345 5.880 -12.498 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.724 7.407 -11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.302 7.698 -14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.116 8.508 -13.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.749 7.029 -13.923 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.033 2.433 -8.470 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.575 1.077 -8.744 1.00 0.00 C ATOM 1073 C ILE A 72 -0.760 1.023 -10.032 1.00 0.00 C ATOM 1074 O ILE A 72 -1.292 1.220 -11.125 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.756 0.095 -8.855 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.625 0.165 -7.598 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.247 -1.322 -9.075 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.901 -0.252 -6.338 1.00 0.00 C ATOM 0 H ILE A 72 -3.035 2.573 -8.598 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.945 0.781 -7.905 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.366 0.379 -9.712 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.992 1.184 -7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.498 -0.474 -7.734 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.093 -2.005 -9.151 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.665 -1.361 -9.996 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.618 -1.617 -8.235 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.579 -0.177 -5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.558 -1.282 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.044 0.402 -6.178 1.00 0.00 H new ATOM 1090 N PHE A 73 0.534 0.751 -9.897 1.00 0.00 N ATOM 1091 CA PHE A 73 1.423 0.669 -11.050 1.00 0.00 C ATOM 1092 C PHE A 73 2.057 -0.715 -11.150 1.00 0.00 C ATOM 1093 O PHE A 73 2.449 -1.304 -10.143 1.00 0.00 O ATOM 1094 CB PHE A 73 2.514 1.737 -10.956 1.00 0.00 C ATOM 1095 CG PHE A 73 3.756 1.266 -10.254 1.00 0.00 C ATOM 1096 CD1 PHE A 73 4.743 0.584 -10.947 1.00 0.00 C ATOM 1097 CD2 PHE A 73 3.936 1.505 -8.901 1.00 0.00 C ATOM 1098 CE1 PHE A 73 5.885 0.149 -10.303 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.077 1.072 -8.252 1.00 0.00 C ATOM 1100 CZ PHE A 73 6.053 0.394 -8.955 1.00 0.00 C ATOM 0 H PHE A 73 0.990 0.584 -9.000 1.00 0.00 H new ATOM 0 HA PHE A 73 0.830 0.843 -11.948 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.777 2.065 -11.961 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.117 2.605 -10.431 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.618 0.390 -12.002 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.176 2.036 -8.347 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.646 -0.383 -10.854 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.205 1.264 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.946 0.056 -8.451 1.00 0.00 H new ATOM 1110 N ASP A 74 2.154 -1.227 -12.372 1.00 0.00 N ATOM 1111 CA ASP A 74 2.741 -2.542 -12.605 1.00 0.00 C ATOM 1112 C ASP A 74 4.265 -2.470 -12.571 1.00 0.00 C ATOM 1113 O ASP A 74 4.877 -1.517 -13.053 1.00 0.00 O ATOM 1114 CB ASP A 74 2.274 -3.100 -13.950 1.00 0.00 C ATOM 1115 CG ASP A 74 0.960 -3.848 -13.842 1.00 0.00 C ATOM 1116 OD1 ASP A 74 0.139 -3.482 -12.975 1.00 0.00 O ATOM 1117 OD2 ASP A 74 0.752 -4.800 -14.623 1.00 0.00 O ATOM 0 H ASP A 74 1.834 -0.752 -13.216 1.00 0.00 H new ATOM 0 HA ASP A 74 2.409 -3.208 -11.809 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.165 -2.281 -14.662 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.038 -3.769 -14.348 1.00 0.00 H new