USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 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 74 THR OG1 : rot -89:sc= 0.139 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 62 THR OG1 : rot 161:sc= 0.86 USER MOD Set 2.2: A 66 GLN : amide:sc= 0.956 K(o=1.8,f=0.022) USER MOD Set 3.1: A 24 GLN : amide:sc= -2.54! C(o=-3.8!,f=-5.1!) USER MOD Set 3.2: A 82 LYS NZ :NH3+ 131:sc= -1.3 (180deg=-3.55!) USER MOD Set 4.1: A 19 HIS : no HD1:sc= -12.8! C(o=-15!,f=-13!) USER MOD Set 4.2: A 21 MET CE :methyl -117:sc= -0.402 (180deg=-0.00616) USER MOD Set 4.3: A 87 HIS : no HD1:sc= -1.41 K(o=-15,f=-13) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.359 K(o=-0.36,f=-3.7!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.5!) USER MOD Single : A 35 GLN : amide:sc= -0.548 K(o=-0.55,f=-3.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.7) USER MOD Single : A 46 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-3.7!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.37 K(o=-1.4,f=-2) USER MOD Single : A 59 MET CE :methyl -177:sc= -0.656 (180deg=-0.71) USER MOD Single : A 61 THR OG1 : rot -49:sc= -0.806 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N ARG A 16 -4.934 9.680 -3.265 1.00 0.00 N ATOM 206 CA ARG A 16 -4.530 8.290 -3.438 1.00 0.00 C ATOM 207 C ARG A 16 -3.395 7.932 -2.483 1.00 0.00 C ATOM 208 O ARG A 16 -2.250 8.340 -2.681 1.00 0.00 O ATOM 209 CB ARG A 16 -4.093 8.039 -4.883 1.00 0.00 C ATOM 210 CG ARG A 16 -4.794 8.932 -5.894 1.00 0.00 C ATOM 211 CD ARG A 16 -4.179 10.322 -5.932 1.00 0.00 C ATOM 212 NE ARG A 16 -5.190 11.363 -6.095 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.914 12.663 -6.085 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.666 13.078 -5.920 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.888 13.550 -6.240 1.00 0.00 N ATOM 0 HA ARG A 16 -5.388 7.657 -3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.017 8.192 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.286 6.996 -5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.734 8.479 -6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.852 9.008 -5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.623 10.498 -5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.464 10.380 -6.752 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.161 11.077 -6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.914 12.399 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.457 14.076 -5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.850 13.235 -6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.675 14.548 -6.232 1.00 0.00 H new ATOM 229 N VAL A 17 -3.720 7.167 -1.445 1.00 0.00 N ATOM 230 CA VAL A 17 -2.729 6.753 -0.460 1.00 0.00 C ATOM 231 C VAL A 17 -2.960 5.312 -0.020 1.00 0.00 C ATOM 232 O VAL A 17 -3.768 5.044 0.871 1.00 0.00 O ATOM 233 CB VAL A 17 -2.753 7.667 0.779 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.798 7.150 1.843 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.410 9.097 0.393 1.00 0.00 C ATOM 0 H VAL A 17 -4.663 6.822 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.754 6.831 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.761 7.659 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.829 7.809 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.095 6.144 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.785 7.126 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.432 9.729 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.414 9.126 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.138 9.463 -0.331 1.00 0.00 H new ATOM 245 N VAL A 18 -2.246 4.384 -0.649 1.00 0.00 N ATOM 246 CA VAL A 18 -2.372 2.969 -0.323 1.00 0.00 C ATOM 247 C VAL A 18 -1.445 2.586 0.825 1.00 0.00 C ATOM 248 O VAL A 18 -0.224 2.559 0.669 1.00 0.00 O ATOM 249 CB VAL A 18 -2.057 2.081 -1.541 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.811 2.581 -2.258 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.890 0.630 -1.113 1.00 0.00 C ATOM 0 H VAL A 18 -1.573 4.587 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.407 2.805 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.894 2.137 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.604 1.941 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.973 3.604 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.037 2.556 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.668 0.016 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.071 0.554 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.811 0.279 -0.648 1.00 0.00 H new ATOM 261 N HIS A 19 -2.034 2.289 1.980 1.00 0.00 N ATOM 262 CA HIS A 19 -1.260 1.906 3.155 1.00 0.00 C ATOM 263 C HIS A 19 -0.972 0.407 3.152 1.00 0.00 C ATOM 264 O HIS A 19 -1.861 -0.404 2.892 1.00 0.00 O ATOM 265 CB HIS A 19 -2.009 2.289 4.433 1.00 0.00 C ATOM 266 CG HIS A 19 -1.297 1.889 5.687 1.00 0.00 C ATOM 267 ND1 HIS A 19 -1.952 1.602 6.866 1.00 0.00 N ATOM 268 CD2 HIS A 19 0.023 1.728 5.944 1.00 0.00 C ATOM 269 CE1 HIS A 19 -1.067 1.283 7.793 1.00 0.00 C ATOM 270 NE2 HIS A 19 0.139 1.352 7.259 1.00 0.00 N ATOM 0 H HIS A 19 -3.043 2.306 2.127 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.311 2.441 3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.166 3.368 4.443 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.994 1.823 4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.834 1.869 5.244 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.291 1.012 8.814 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.014 1.157 7.745 1.00 0.00 H new ATOM 278 N ILE A 20 0.275 0.049 3.440 1.00 0.00 N ATOM 279 CA ILE A 20 0.679 -1.352 3.470 1.00 0.00 C ATOM 280 C ILE A 20 1.414 -1.684 4.763 1.00 0.00 C ATOM 281 O ILE A 20 2.377 -1.011 5.132 1.00 0.00 O ATOM 282 CB ILE A 20 1.583 -1.702 2.273 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.991 -1.145 0.978 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.767 -3.209 2.172 1.00 0.00 C ATOM 285 CD1 ILE A 20 2.028 -0.580 0.033 1.00 0.00 C ATOM 0 H ILE A 20 1.022 0.709 3.656 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.233 -1.946 3.412 1.00 0.00 H new ATOM 0 HB ILE A 20 2.560 -1.245 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.441 -1.937 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.271 -0.364 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.408 -3.441 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.229 -3.581 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.796 -3.686 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.536 -0.203 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.562 0.234 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.734 -1.363 -0.243 1.00 0.00 H new ATOM 297 N MET A 21 0.956 -2.727 5.448 1.00 0.00 N ATOM 298 CA MET A 21 1.573 -3.151 6.699 1.00 0.00 C ATOM 299 C MET A 21 1.841 -4.652 6.692 1.00 0.00 C ATOM 300 O MET A 21 1.551 -5.339 5.711 1.00 0.00 O ATOM 301 CB MET A 21 0.676 -2.787 7.884 1.00 0.00 C ATOM 302 CG MET A 21 -0.069 -1.475 7.701 1.00 0.00 C ATOM 303 SD MET A 21 -1.860 -1.681 7.748 1.00 0.00 S ATOM 304 CE MET A 21 -2.264 -1.530 6.010 1.00 0.00 C ATOM 0 H MET A 21 0.159 -3.294 5.157 1.00 0.00 H new ATOM 0 HA MET A 21 2.525 -2.630 6.800 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.047 -3.587 8.041 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.286 -2.727 8.786 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.233 -0.778 8.483 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.217 -1.029 6.748 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.899 -0.657 5.859 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.347 -1.417 5.432 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.792 -2.424 5.680 1.00 0.00 H new ATOM 314 N ASP A 22 2.397 -5.154 7.788 1.00 0.00 N ATOM 315 CA ASP A 22 2.703 -6.576 7.909 1.00 0.00 C ATOM 316 C ASP A 22 3.725 -7.001 6.859 1.00 0.00 C ATOM 317 O ASP A 22 3.923 -8.191 6.618 1.00 0.00 O ATOM 318 CB ASP A 22 1.428 -7.408 7.764 1.00 0.00 C ATOM 319 CG ASP A 22 0.536 -7.317 8.986 1.00 0.00 C ATOM 320 OD1 ASP A 22 0.154 -6.187 9.358 1.00 0.00 O ATOM 321 OD2 ASP A 22 0.219 -8.374 9.570 1.00 0.00 O ATOM 0 H ASP A 22 2.646 -4.598 8.606 1.00 0.00 H new ATOM 0 HA ASP A 22 3.129 -6.749 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.875 -7.070 6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.695 -8.450 7.590 1.00 0.00 H new ATOM 326 N PHE A 23 4.371 -6.019 6.238 1.00 0.00 N ATOM 327 CA PHE A 23 5.371 -6.291 5.212 1.00 0.00 C ATOM 328 C PHE A 23 6.781 -6.207 5.791 1.00 0.00 C ATOM 329 O PHE A 23 7.079 -5.326 6.597 1.00 0.00 O ATOM 330 CB PHE A 23 5.224 -5.306 4.051 1.00 0.00 C ATOM 331 CG PHE A 23 5.799 -3.949 4.340 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.159 -3.717 4.217 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.978 -2.904 4.736 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.691 -2.469 4.483 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.504 -1.654 5.003 1.00 0.00 C ATOM 336 CZ PHE A 23 6.861 -1.436 4.875 1.00 0.00 C ATOM 0 H PHE A 23 4.220 -5.028 6.427 1.00 0.00 H new ATOM 0 HA PHE A 23 5.209 -7.303 4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.715 -5.720 3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.167 -5.200 3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.812 -4.521 3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.915 -3.069 4.837 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.753 -2.302 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.854 -0.849 5.311 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.274 -0.459 5.081 1.00 0.00 H new ATOM 346 N GLN A 24 7.642 -7.128 5.373 1.00 0.00 N ATOM 347 CA GLN A 24 9.020 -7.159 5.851 1.00 0.00 C ATOM 348 C GLN A 24 9.949 -6.440 4.878 1.00 0.00 C ATOM 349 O GLN A 24 9.508 -5.921 3.853 1.00 0.00 O ATOM 350 CB GLN A 24 9.483 -8.603 6.045 1.00 0.00 C ATOM 351 CG GLN A 24 8.626 -9.391 7.023 1.00 0.00 C ATOM 352 CD GLN A 24 9.382 -10.535 7.670 1.00 0.00 C ATOM 353 OE1 GLN A 24 10.313 -11.089 7.086 1.00 0.00 O ATOM 354 NE2 GLN A 24 8.983 -10.895 8.885 1.00 0.00 N ATOM 0 H GLN A 24 7.411 -7.863 4.705 1.00 0.00 H new ATOM 0 HA GLN A 24 9.057 -6.642 6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.478 -9.110 5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.514 -8.601 6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.256 -8.720 7.798 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.755 -9.786 6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.206 -10.408 9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.453 -11.659 9.371 1.00 0.00 H new ATOM 363 N ARG A 25 11.236 -6.414 5.207 1.00 0.00 N ATOM 364 CA ARG A 25 12.227 -5.757 4.363 1.00 0.00 C ATOM 365 C ARG A 25 13.413 -6.680 4.098 1.00 0.00 C ATOM 366 O ARG A 25 13.513 -7.760 4.678 1.00 0.00 O ATOM 367 CB ARG A 25 12.711 -4.463 5.020 1.00 0.00 C ATOM 368 CG ARG A 25 11.588 -3.612 5.588 1.00 0.00 C ATOM 369 CD ARG A 25 11.898 -2.128 5.466 1.00 0.00 C ATOM 370 NE ARG A 25 12.175 -1.519 6.764 1.00 0.00 N ATOM 371 CZ ARG A 25 13.351 -1.599 7.378 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.352 -2.261 6.814 1.00 0.00 N ATOM 373 NH2 ARG A 25 13.527 -1.018 8.557 1.00 0.00 N ATOM 0 H ARG A 25 11.617 -6.840 6.052 1.00 0.00 H new ATOM 0 HA ARG A 25 11.755 -5.518 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.408 -4.711 5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.264 -3.877 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.659 -3.835 5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.431 -3.867 6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.757 -1.990 4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.055 -1.619 4.999 1.00 0.00 H new ATOM 0 HE ARG A 25 11.425 -1.004 7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.220 -2.710 5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.254 -2.321 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.759 -0.509 8.994 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.430 -1.081 9.027 1.00 0.00 H new ATOM 387 N GLY A 26 14.310 -6.246 3.217 1.00 0.00 N ATOM 388 CA GLY A 26 15.477 -7.046 2.891 1.00 0.00 C ATOM 389 C GLY A 26 16.153 -6.590 1.613 1.00 0.00 C ATOM 390 O GLY A 26 16.794 -5.539 1.582 1.00 0.00 O ATOM 0 H GLY A 26 14.249 -5.355 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.190 -6.995 3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.181 -8.090 2.790 1.00 0.00 H new ATOM 394 N LYS A 27 16.011 -7.382 0.556 1.00 0.00 N ATOM 395 CA LYS A 27 16.613 -7.055 -0.732 1.00 0.00 C ATOM 396 C LYS A 27 15.558 -6.556 -1.714 1.00 0.00 C ATOM 397 O LYS A 27 14.653 -7.295 -2.096 1.00 0.00 O ATOM 398 CB LYS A 27 17.324 -8.280 -1.310 1.00 0.00 C ATOM 399 CG LYS A 27 18.677 -7.964 -1.923 1.00 0.00 C ATOM 400 CD LYS A 27 19.346 -9.213 -2.471 1.00 0.00 C ATOM 401 CE LYS A 27 20.854 -9.038 -2.577 1.00 0.00 C ATOM 402 NZ LYS A 27 21.583 -9.940 -1.644 1.00 0.00 N ATOM 0 H LYS A 27 15.484 -8.255 0.565 1.00 0.00 H new ATOM 0 HA LYS A 27 17.342 -6.260 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.456 -9.020 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.688 -8.735 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.553 -7.235 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.320 -7.506 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.122 -10.061 -1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.936 -9.445 -3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 27 21.172 -9.239 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 27 21.116 -8.002 -2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 22.607 -9.791 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 21.299 -9.731 -0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.353 -10.929 -1.867 1.00 0.00 H new ATOM 416 N ASN A 28 15.684 -5.297 -2.120 1.00 0.00 N ATOM 417 CA ASN A 28 14.741 -4.699 -3.059 1.00 0.00 C ATOM 418 C ASN A 28 13.339 -4.640 -2.460 1.00 0.00 C ATOM 419 O ASN A 28 12.353 -4.952 -3.128 1.00 0.00 O ATOM 420 CB ASN A 28 14.717 -5.495 -4.365 1.00 0.00 C ATOM 421 CG ASN A 28 16.078 -5.558 -5.029 1.00 0.00 C ATOM 422 OD1 ASN A 28 17.079 -5.888 -4.391 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.124 -5.242 -6.319 1.00 0.00 N ATOM 0 H ASN A 28 16.429 -4.671 -1.814 1.00 0.00 H new ATOM 0 HA ASN A 28 15.070 -3.681 -3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.367 -6.507 -4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.002 -5.041 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.013 -5.267 -6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.271 -4.974 -6.809 1.00 0.00 H new ATOM 430 N LEU A 29 13.259 -4.236 -1.196 1.00 0.00 N ATOM 431 CA LEU A 29 11.977 -4.136 -0.506 1.00 0.00 C ATOM 432 C LEU A 29 11.097 -3.068 -1.147 1.00 0.00 C ATOM 433 O LEU A 29 9.986 -3.351 -1.595 1.00 0.00 O ATOM 434 CB LEU A 29 12.197 -3.813 0.973 1.00 0.00 C ATOM 435 CG LEU A 29 10.935 -3.571 1.801 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.426 -2.152 1.598 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.857 -4.583 1.440 1.00 0.00 C ATOM 0 H LEU A 29 14.065 -3.973 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 29 11.469 -5.097 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.752 -4.635 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.828 -2.927 1.041 1.00 0.00 H new ATOM 0 HG LEU A 29 11.186 -3.698 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.527 -1.999 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.193 -1.442 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.192 -1.996 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.966 -4.395 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.609 -4.489 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.222 -5.590 1.639 1.00 0.00 H new ATOM 449 N ARG A 30 11.601 -1.839 -1.187 1.00 0.00 N ATOM 450 CA ARG A 30 10.861 -0.727 -1.773 1.00 0.00 C ATOM 451 C ARG A 30 10.146 -1.164 -3.049 1.00 0.00 C ATOM 452 O ARG A 30 9.072 -0.657 -3.375 1.00 0.00 O ATOM 453 CB ARG A 30 11.804 0.437 -2.077 1.00 0.00 C ATOM 454 CG ARG A 30 11.161 1.544 -2.897 1.00 0.00 C ATOM 455 CD ARG A 30 12.196 2.324 -3.692 1.00 0.00 C ATOM 456 NE ARG A 30 12.578 1.633 -4.920 1.00 0.00 N ATOM 457 CZ ARG A 30 13.534 2.059 -5.737 1.00 0.00 C ATOM 458 NH1 ARG A 30 14.203 3.170 -5.458 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.824 1.375 -6.837 1.00 0.00 N ATOM 0 H ARG A 30 12.519 -1.588 -0.820 1.00 0.00 H new ATOM 0 HA ARG A 30 10.113 -0.399 -1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.165 0.855 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.674 0.058 -2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.427 1.114 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.623 2.222 -2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.797 3.308 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.081 2.484 -3.076 1.00 0.00 H new ATOM 0 HE ARG A 30 12.083 0.775 -5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.983 3.699 -4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.937 3.495 -6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.312 0.520 -7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.559 1.704 -7.463 1.00 0.00 H new ATOM 473 N TYR A 31 10.749 -2.105 -3.766 1.00 0.00 N ATOM 474 CA TYR A 31 10.171 -2.607 -5.007 1.00 0.00 C ATOM 475 C TYR A 31 9.051 -3.603 -4.723 1.00 0.00 C ATOM 476 O TYR A 31 8.023 -3.606 -5.399 1.00 0.00 O ATOM 477 CB TYR A 31 11.252 -3.268 -5.865 1.00 0.00 C ATOM 478 CG TYR A 31 10.699 -4.192 -6.928 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.405 -5.518 -6.638 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.473 -3.739 -8.222 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.901 -6.367 -7.605 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.967 -4.579 -9.195 1.00 0.00 C ATOM 483 CZ TYR A 31 9.683 -5.891 -8.882 1.00 0.00 C ATOM 484 OH TYR A 31 9.182 -6.733 -9.849 1.00 0.00 O ATOM 0 H TYR A 31 11.637 -2.536 -3.510 1.00 0.00 H new ATOM 0 HA TYR A 31 9.750 -1.761 -5.551 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.849 -2.492 -6.344 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.923 -3.832 -5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.573 -5.892 -5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.697 -2.712 -8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.679 -7.396 -7.363 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.795 -4.210 -10.195 1.00 0.00 H new ATOM 0 HH TYR A 31 9.086 -6.243 -10.692 1.00 0.00 H new ATOM 494 N GLN A 32 9.259 -4.447 -3.717 1.00 0.00 N ATOM 495 CA GLN A 32 8.267 -5.448 -3.342 1.00 0.00 C ATOM 496 C GLN A 32 6.928 -4.794 -3.024 1.00 0.00 C ATOM 497 O GLN A 32 5.868 -5.350 -3.317 1.00 0.00 O ATOM 498 CB GLN A 32 8.755 -6.254 -2.138 1.00 0.00 C ATOM 499 CG GLN A 32 10.115 -6.899 -2.346 1.00 0.00 C ATOM 500 CD GLN A 32 10.020 -8.389 -2.605 1.00 0.00 C ATOM 501 OE1 GLN A 32 9.106 -9.058 -2.121 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.966 -8.920 -3.373 1.00 0.00 N ATOM 0 H GLN A 32 10.105 -4.457 -3.147 1.00 0.00 H new ATOM 0 HA GLN A 32 8.129 -6.121 -4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.803 -5.599 -1.268 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.025 -7.031 -1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.616 -6.419 -3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.734 -6.726 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.705 -8.329 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.953 -9.918 -3.582 1.00 0.00 H new ATOM 511 N LEU A 33 6.980 -3.610 -2.422 1.00 0.00 N ATOM 512 CA LEU A 33 5.770 -2.879 -2.062 1.00 0.00 C ATOM 513 C LEU A 33 5.240 -2.085 -3.252 1.00 0.00 C ATOM 514 O LEU A 33 4.039 -2.086 -3.528 1.00 0.00 O ATOM 515 CB LEU A 33 6.048 -1.938 -0.889 1.00 0.00 C ATOM 516 CG LEU A 33 6.595 -2.592 0.380 1.00 0.00 C ATOM 517 CD1 LEU A 33 7.183 -1.542 1.311 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.504 -3.382 1.087 1.00 0.00 C ATOM 0 H LEU A 33 7.848 -3.136 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 33 5.012 -3.604 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.758 -1.179 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.122 -1.420 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 33 7.389 -3.282 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.567 -2.026 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.995 -1.020 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.409 -0.827 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.912 -3.840 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.688 -2.713 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.129 -4.160 0.422 1.00 0.00 H new ATOM 530 N LEU A 34 6.143 -1.410 -3.955 1.00 0.00 N ATOM 531 CA LEU A 34 5.767 -0.612 -5.117 1.00 0.00 C ATOM 532 C LEU A 34 5.216 -1.498 -6.230 1.00 0.00 C ATOM 533 O LEU A 34 4.458 -1.038 -7.083 1.00 0.00 O ATOM 534 CB LEU A 34 6.972 0.179 -5.628 1.00 0.00 C ATOM 535 CG LEU A 34 7.441 1.334 -4.743 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.808 1.830 -5.191 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.427 2.468 -4.763 1.00 0.00 C ATOM 0 H LEU A 34 7.140 -1.399 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 34 4.986 0.085 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.805 -0.512 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.728 0.578 -6.613 1.00 0.00 H new ATOM 0 HG LEU A 34 7.528 0.969 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.125 2.652 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.531 1.017 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.749 2.177 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.778 3.281 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.307 2.831 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.468 2.105 -4.392 1.00 0.00 H new ATOM 549 N GLN A 35 5.601 -2.770 -6.213 1.00 0.00 N ATOM 550 CA GLN A 35 5.144 -3.719 -7.219 1.00 0.00 C ATOM 551 C GLN A 35 3.672 -4.063 -7.016 1.00 0.00 C ATOM 552 O GLN A 35 3.041 -4.672 -7.880 1.00 0.00 O ATOM 553 CB GLN A 35 5.988 -4.994 -7.169 1.00 0.00 C ATOM 554 CG GLN A 35 5.629 -5.918 -6.017 1.00 0.00 C ATOM 555 CD GLN A 35 4.912 -7.172 -6.477 1.00 0.00 C ATOM 556 OE1 GLN A 35 3.856 -7.526 -5.951 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.483 -7.853 -7.464 1.00 0.00 N ATOM 0 H GLN A 35 6.228 -3.166 -5.513 1.00 0.00 H new ATOM 0 HA GLN A 35 5.258 -3.253 -8.198 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.869 -5.535 -8.108 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.040 -4.720 -7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.538 -6.198 -5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.997 -5.382 -5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.358 -7.524 -7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.046 -8.705 -7.815 1.00 0.00 H new ATOM 566 N LEU A 36 3.132 -3.670 -5.868 1.00 0.00 N ATOM 567 CA LEU A 36 1.733 -3.936 -5.550 1.00 0.00 C ATOM 568 C LEU A 36 0.820 -2.902 -6.201 1.00 0.00 C ATOM 569 O LEU A 36 -0.395 -3.085 -6.268 1.00 0.00 O ATOM 570 CB LEU A 36 1.525 -3.935 -4.034 1.00 0.00 C ATOM 571 CG LEU A 36 2.457 -4.839 -3.228 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.409 -4.476 -1.753 1.00 0.00 C ATOM 573 CD2 LEU A 36 2.089 -6.302 -3.431 1.00 0.00 C ATOM 0 H LEU A 36 3.641 -3.166 -5.142 1.00 0.00 H new ATOM 0 HA LEU A 36 1.477 -4.919 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.640 -2.913 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.496 -4.232 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 36 3.476 -4.688 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.079 -5.130 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.722 -3.440 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.391 -4.597 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.763 -6.931 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.063 -6.468 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.177 -6.556 -4.487 1.00 0.00 H new ATOM 585 N VAL A 37 1.414 -1.815 -6.683 1.00 0.00 N ATOM 586 CA VAL A 37 0.656 -0.752 -7.332 1.00 0.00 C ATOM 587 C VAL A 37 1.214 -0.446 -8.717 1.00 0.00 C ATOM 588 O VAL A 37 0.495 0.028 -9.596 1.00 0.00 O ATOM 589 CB VAL A 37 0.663 0.538 -6.491 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.070 0.280 -5.114 1.00 0.00 C ATOM 591 CG2 VAL A 37 2.075 1.091 -6.377 1.00 0.00 C ATOM 0 H VAL A 37 2.419 -1.647 -6.636 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.370 -1.108 -7.427 1.00 0.00 H new ATOM 0 HB VAL A 37 0.045 1.283 -6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.083 1.203 -4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.958 -0.068 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.659 -0.480 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.062 2.003 -5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.717 0.352 -5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.459 1.315 -7.372 1.00 0.00 H new ATOM 601 N GLU A 38 2.501 -0.722 -8.904 1.00 0.00 N ATOM 602 CA GLU A 38 3.156 -0.476 -10.184 1.00 0.00 C ATOM 603 C GLU A 38 2.294 -0.973 -11.341 1.00 0.00 C ATOM 604 O GLU A 38 1.881 -0.210 -12.214 1.00 0.00 O ATOM 605 CB GLU A 38 4.524 -1.158 -10.222 1.00 0.00 C ATOM 606 CG GLU A 38 5.685 -0.189 -10.366 1.00 0.00 C ATOM 607 CD GLU A 38 6.358 -0.282 -11.722 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.646 -0.502 -12.724 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.597 -0.135 -11.780 1.00 0.00 O ATOM 0 H GLU A 38 3.110 -1.115 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 38 3.292 0.600 -10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.657 -1.737 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.546 -1.863 -11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.325 0.828 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.419 -0.389 -9.586 1.00 0.00 H new ATOM 616 N PRO A 39 2.017 -2.286 -11.349 1.00 0.00 N ATOM 617 CA PRO A 39 1.203 -2.915 -12.393 1.00 0.00 C ATOM 618 C PRO A 39 -0.264 -2.507 -12.310 1.00 0.00 C ATOM 619 O PRO A 39 -1.094 -2.974 -13.090 1.00 0.00 O ATOM 620 CB PRO A 39 1.357 -4.412 -12.108 1.00 0.00 C ATOM 621 CG PRO A 39 1.678 -4.490 -10.656 1.00 0.00 C ATOM 622 CD PRO A 39 2.476 -3.255 -10.340 1.00 0.00 C ATOM 0 HA PRO A 39 1.524 -2.621 -13.392 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.441 -4.956 -12.341 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.151 -4.851 -12.713 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.768 -4.530 -10.057 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.248 -5.391 -10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.285 -2.901 -9.327 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.548 -3.438 -10.417 1.00 0.00 H new ATOM 630 N PHE A 40 -0.576 -1.630 -11.361 1.00 0.00 N ATOM 631 CA PHE A 40 -1.943 -1.159 -11.176 1.00 0.00 C ATOM 632 C PHE A 40 -2.093 0.280 -11.662 1.00 0.00 C ATOM 633 O PHE A 40 -3.204 0.764 -11.871 1.00 0.00 O ATOM 634 CB PHE A 40 -2.344 -1.254 -9.702 1.00 0.00 C ATOM 635 CG PHE A 40 -2.496 -2.666 -9.213 1.00 0.00 C ATOM 636 CD1 PHE A 40 -1.414 -3.350 -8.684 1.00 0.00 C ATOM 637 CD2 PHE A 40 -3.721 -3.309 -9.283 1.00 0.00 C ATOM 638 CE1 PHE A 40 -1.550 -4.651 -8.233 1.00 0.00 C ATOM 639 CE2 PHE A 40 -3.864 -4.608 -8.833 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.777 -5.280 -8.308 1.00 0.00 C ATOM 0 H PHE A 40 0.099 -1.232 -10.709 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.602 -1.795 -11.767 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.593 -0.747 -9.096 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.285 -0.723 -9.554 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.453 -2.862 -8.623 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.574 -2.789 -9.694 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.698 -5.173 -7.823 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.825 -5.097 -8.892 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.887 -6.295 -7.957 1.00 0.00 H new ATOM 650 N GLY A 41 -0.962 0.958 -11.841 1.00 0.00 N ATOM 651 CA GLY A 41 -0.989 2.335 -12.301 1.00 0.00 C ATOM 652 C GLY A 41 0.388 2.968 -12.310 1.00 0.00 C ATOM 653 O GLY A 41 1.391 2.289 -12.527 1.00 0.00 O ATOM 0 H GLY A 41 -0.030 0.579 -11.676 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.409 2.371 -13.306 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.649 2.917 -11.658 1.00 0.00 H new ATOM 657 N VAL A 42 0.438 4.276 -12.076 1.00 0.00 N ATOM 658 CA VAL A 42 1.702 5.003 -12.060 1.00 0.00 C ATOM 659 C VAL A 42 2.087 5.401 -10.640 1.00 0.00 C ATOM 660 O VAL A 42 1.224 5.600 -9.783 1.00 0.00 O ATOM 661 CB VAL A 42 1.633 6.268 -12.935 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.281 6.948 -12.787 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.762 7.224 -12.578 1.00 0.00 C ATOM 0 H VAL A 42 -0.383 4.854 -11.895 1.00 0.00 H new ATOM 0 HA VAL A 42 2.459 4.332 -12.465 1.00 0.00 H new ATOM 0 HB VAL A 42 1.752 5.974 -13.978 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.252 7.840 -13.413 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.507 6.262 -13.096 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.128 7.231 -11.745 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.698 8.113 -13.206 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.677 7.513 -11.530 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.721 6.732 -12.742 1.00 0.00 H new ATOM 673 N ILE A 43 3.389 5.516 -10.397 1.00 0.00 N ATOM 674 CA ILE A 43 3.889 5.892 -9.080 1.00 0.00 C ATOM 675 C ILE A 43 4.146 7.393 -8.998 1.00 0.00 C ATOM 676 O ILE A 43 4.984 7.930 -9.722 1.00 0.00 O ATOM 677 CB ILE A 43 5.188 5.141 -8.735 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.054 3.658 -9.087 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.525 5.313 -7.262 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.220 2.876 -8.097 1.00 0.00 C ATOM 0 H ILE A 43 4.116 5.354 -11.094 1.00 0.00 H new ATOM 0 HA ILE A 43 3.118 5.617 -8.360 1.00 0.00 H new ATOM 0 HB ILE A 43 6.002 5.563 -9.325 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.608 3.567 -10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.048 3.215 -9.143 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.446 4.776 -7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.658 6.372 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.713 4.914 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.168 1.833 -8.409 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.676 2.937 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.214 3.294 -8.058 1.00 0.00 H new ATOM 692 N SER A 44 3.420 8.065 -8.111 1.00 0.00 N ATOM 693 CA SER A 44 3.567 9.505 -7.935 1.00 0.00 C ATOM 694 C SER A 44 4.558 9.818 -6.818 1.00 0.00 C ATOM 695 O SER A 44 5.433 10.669 -6.969 1.00 0.00 O ATOM 696 CB SER A 44 2.213 10.144 -7.624 1.00 0.00 C ATOM 697 OG SER A 44 1.770 10.952 -8.700 1.00 0.00 O ATOM 0 H SER A 44 2.723 7.635 -7.502 1.00 0.00 H new ATOM 0 HA SER A 44 3.952 9.921 -8.866 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.477 9.365 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.292 10.748 -6.720 1.00 0.00 H new ATOM 0 HG SER A 44 0.902 11.347 -8.476 1.00 0.00 H new ATOM 703 N ASN A 45 4.413 9.120 -5.695 1.00 0.00 N ATOM 704 CA ASN A 45 5.294 9.324 -4.551 1.00 0.00 C ATOM 705 C ASN A 45 5.029 8.281 -3.469 1.00 0.00 C ATOM 706 O ASN A 45 3.890 8.089 -3.044 1.00 0.00 O ATOM 707 CB ASN A 45 5.106 10.729 -3.978 1.00 0.00 C ATOM 708 CG ASN A 45 6.129 11.713 -4.513 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.324 11.418 -4.563 1.00 0.00 O ATOM 710 ND2 ASN A 45 5.664 12.890 -4.916 1.00 0.00 N ATOM 0 H ASN A 45 3.695 8.410 -5.554 1.00 0.00 H new ATOM 0 HA ASN A 45 6.323 9.215 -4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.104 11.085 -4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.179 10.688 -2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.305 13.592 -5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.666 13.092 -4.856 1.00 0.00 H new ATOM 717 N HIS A 46 6.089 7.613 -3.026 1.00 0.00 N ATOM 718 CA HIS A 46 5.971 6.591 -1.992 1.00 0.00 C ATOM 719 C HIS A 46 6.702 7.015 -0.722 1.00 0.00 C ATOM 720 O HIS A 46 7.479 7.970 -0.731 1.00 0.00 O ATOM 721 CB HIS A 46 6.529 5.259 -2.495 1.00 0.00 C ATOM 722 CG HIS A 46 8.011 5.127 -2.322 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.898 6.134 -2.640 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.761 4.100 -1.858 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.130 5.730 -2.382 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.074 4.499 -1.905 1.00 0.00 N ATOM 0 H HIS A 46 7.039 7.761 -3.367 1.00 0.00 H new ATOM 0 HA HIS A 46 4.914 6.468 -1.757 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.036 4.444 -1.965 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.283 5.147 -3.551 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.643 7.048 -3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.395 3.144 -1.514 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.029 6.308 -2.535 1.00 0.00 H new ATOM 734 N LEU A 47 6.447 6.301 0.369 1.00 0.00 N ATOM 735 CA LEU A 47 7.080 6.604 1.647 1.00 0.00 C ATOM 736 C LEU A 47 7.253 5.340 2.483 1.00 0.00 C ATOM 737 O LEU A 47 6.293 4.605 2.720 1.00 0.00 O ATOM 738 CB LEU A 47 6.249 7.630 2.420 1.00 0.00 C ATOM 739 CG LEU A 47 6.710 7.931 3.846 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.005 9.165 4.386 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.464 6.732 4.751 1.00 0.00 C ATOM 0 H LEU A 47 5.806 5.508 0.394 1.00 0.00 H new ATOM 0 HA LEU A 47 8.066 7.022 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.245 8.563 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.218 7.277 2.460 1.00 0.00 H new ATOM 0 HG LEU A 47 7.781 8.131 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.346 9.363 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.235 10.022 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.928 8.996 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.798 6.965 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.399 6.499 4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.018 5.872 4.374 1.00 0.00 H new ATOM 753 N ILE A 48 8.481 5.094 2.928 1.00 0.00 N ATOM 754 CA ILE A 48 8.778 3.920 3.740 1.00 0.00 C ATOM 755 C ILE A 48 9.537 4.305 5.006 1.00 0.00 C ATOM 756 O ILE A 48 10.731 4.602 4.960 1.00 0.00 O ATOM 757 CB ILE A 48 9.605 2.887 2.953 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.226 2.919 1.471 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.398 1.493 3.529 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.961 1.893 0.637 1.00 0.00 C ATOM 0 H ILE A 48 9.286 5.692 2.740 1.00 0.00 H new ATOM 0 HA ILE A 48 7.821 3.475 4.014 1.00 0.00 H new ATOM 0 HB ILE A 48 10.661 3.143 3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.153 2.752 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.431 3.913 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.989 0.774 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.713 1.480 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.343 1.226 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.643 1.973 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.034 2.072 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.737 0.893 1.009 1.00 0.00 H new ATOM 772 N LEU A 49 8.836 4.296 6.134 1.00 0.00 N ATOM 773 CA LEU A 49 9.443 4.642 7.414 1.00 0.00 C ATOM 774 C LEU A 49 10.499 3.616 7.811 1.00 0.00 C ATOM 775 O LEU A 49 10.312 2.414 7.624 1.00 0.00 O ATOM 776 CB LEU A 49 8.372 4.736 8.501 1.00 0.00 C ATOM 777 CG LEU A 49 7.124 5.545 8.145 1.00 0.00 C ATOM 778 CD1 LEU A 49 5.961 5.153 9.043 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.406 7.036 8.255 1.00 0.00 C ATOM 0 H LEU A 49 7.847 4.053 6.188 1.00 0.00 H new ATOM 0 HA LEU A 49 9.928 5.612 7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.062 3.725 8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.823 5.175 9.391 1.00 0.00 H new ATOM 0 HG LEU A 49 6.851 5.322 7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.081 5.739 8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.744 4.093 8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.223 5.346 10.083 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.507 7.596 7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.704 7.276 9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.210 7.306 7.570 1.00 0.00 H new ATOM 791 N ASN A 50 11.608 4.098 8.364 1.00 0.00 N ATOM 792 CA ASN A 50 12.693 3.220 8.790 1.00 0.00 C ATOM 793 C ASN A 50 12.581 2.901 10.278 1.00 0.00 C ATOM 794 O ASN A 50 13.589 2.729 10.964 1.00 0.00 O ATOM 795 CB ASN A 50 14.047 3.870 8.496 1.00 0.00 C ATOM 796 CG ASN A 50 14.419 3.793 7.028 1.00 0.00 C ATOM 797 OD1 ASN A 50 14.561 2.706 6.468 1.00 0.00 O ATOM 798 ND2 ASN A 50 14.578 4.951 6.397 1.00 0.00 N ATOM 0 H ASN A 50 11.779 5.090 8.527 1.00 0.00 H new ATOM 0 HA ASN A 50 12.616 2.288 8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.021 4.914 8.807 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.819 3.380 9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.828 4.963 5.408 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.450 5.828 6.901 1.00 0.00 H new ATOM 805 N LYS A 51 11.350 2.822 10.769 1.00 0.00 N ATOM 806 CA LYS A 51 11.105 2.521 12.175 1.00 0.00 C ATOM 807 C LYS A 51 10.293 1.238 12.323 1.00 0.00 C ATOM 808 O LYS A 51 10.580 0.407 13.184 1.00 0.00 O ATOM 809 CB LYS A 51 10.369 3.682 12.846 1.00 0.00 C ATOM 810 CG LYS A 51 11.245 4.901 13.084 1.00 0.00 C ATOM 811 CD LYS A 51 11.590 5.060 14.554 1.00 0.00 C ATOM 812 CE LYS A 51 11.622 6.526 14.964 1.00 0.00 C ATOM 813 NZ LYS A 51 12.942 6.915 15.532 1.00 0.00 N ATOM 0 H LYS A 51 10.505 2.962 10.214 1.00 0.00 H new ATOM 0 HA LYS A 51 12.069 2.379 12.663 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.520 3.970 12.226 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.966 3.343 13.800 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.162 4.811 12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.730 5.795 12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.857 4.527 15.160 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.560 4.604 14.753 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.401 7.150 14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.840 6.714 15.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.923 7.920 15.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.142 6.337 16.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.685 6.760 14.821 1.00 0.00 H new ATOM 827 N ILE A 52 9.279 1.084 11.477 1.00 0.00 N ATOM 828 CA ILE A 52 8.428 -0.099 11.513 1.00 0.00 C ATOM 829 C ILE A 52 8.065 -0.558 10.105 1.00 0.00 C ATOM 830 O ILE A 52 8.574 -0.028 9.119 1.00 0.00 O ATOM 831 CB ILE A 52 7.133 0.163 12.305 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.195 1.070 11.506 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.455 0.784 13.656 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.850 2.350 11.034 1.00 0.00 C ATOM 0 H ILE A 52 9.027 1.763 10.759 1.00 0.00 H new ATOM 0 HA ILE A 52 8.998 -0.882 12.013 1.00 0.00 H new ATOM 0 HB ILE A 52 6.630 -0.789 12.475 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.822 0.522 10.641 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.331 1.319 12.122 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.530 0.963 14.204 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.089 0.105 14.227 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.977 1.729 13.507 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.127 2.944 10.475 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.199 2.920 11.896 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.697 2.110 10.391 1.00 0.00 H new ATOM 846 N ASN A 53 7.181 -1.547 10.020 1.00 0.00 N ATOM 847 CA ASN A 53 6.749 -2.077 8.733 1.00 0.00 C ATOM 848 C ASN A 53 5.545 -1.305 8.203 1.00 0.00 C ATOM 849 O ASN A 53 4.538 -1.897 7.814 1.00 0.00 O ATOM 850 CB ASN A 53 6.401 -3.562 8.860 1.00 0.00 C ATOM 851 CG ASN A 53 7.619 -4.419 9.149 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.635 -4.325 8.460 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.520 -5.259 10.173 1.00 0.00 N ATOM 0 H ASN A 53 6.750 -1.997 10.828 1.00 0.00 H new ATOM 0 HA ASN A 53 7.571 -1.962 8.027 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.670 -3.694 9.657 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.931 -3.902 7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.307 -5.861 10.417 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.657 -5.302 10.716 1.00 0.00 H new ATOM 860 N GLU A 54 5.657 0.020 8.190 1.00 0.00 N ATOM 861 CA GLU A 54 4.577 0.872 7.707 1.00 0.00 C ATOM 862 C GLU A 54 5.028 1.690 6.500 1.00 0.00 C ATOM 863 O GLU A 54 5.964 2.483 6.589 1.00 0.00 O ATOM 864 CB GLU A 54 4.100 1.807 8.820 1.00 0.00 C ATOM 865 CG GLU A 54 3.101 1.166 9.768 1.00 0.00 C ATOM 866 CD GLU A 54 2.007 2.124 10.198 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.222 3.350 10.109 1.00 0.00 O ATOM 868 OE2 GLU A 54 0.934 1.646 10.626 1.00 0.00 O ATOM 0 H GLU A 54 6.484 0.526 8.508 1.00 0.00 H new ATOM 0 HA GLU A 54 3.751 0.230 7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.963 2.147 9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.646 2.691 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.650 0.300 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.626 0.800 10.650 1.00 0.00 H new ATOM 875 N ALA A 55 4.354 1.488 5.372 1.00 0.00 N ATOM 876 CA ALA A 55 4.682 2.207 4.147 1.00 0.00 C ATOM 877 C ALA A 55 3.423 2.711 3.452 1.00 0.00 C ATOM 878 O ALA A 55 2.347 2.131 3.598 1.00 0.00 O ATOM 879 CB ALA A 55 5.483 1.315 3.212 1.00 0.00 C ATOM 0 H ALA A 55 3.578 0.832 5.281 1.00 0.00 H new ATOM 0 HA ALA A 55 5.288 3.073 4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.721 1.864 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.406 1.009 3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.896 0.432 2.960 1.00 0.00 H new ATOM 885 N PHE A 56 3.563 3.796 2.696 1.00 0.00 N ATOM 886 CA PHE A 56 2.436 4.380 1.979 1.00 0.00 C ATOM 887 C PHE A 56 2.842 4.787 0.566 1.00 0.00 C ATOM 888 O PHE A 56 3.865 5.442 0.368 1.00 0.00 O ATOM 889 CB PHE A 56 1.895 5.593 2.737 1.00 0.00 C ATOM 890 CG PHE A 56 1.665 5.334 4.199 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.470 4.788 4.639 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.643 5.637 5.132 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.255 4.549 5.983 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.434 5.398 6.477 1.00 0.00 C ATOM 895 CZ PHE A 56 1.238 4.855 6.903 1.00 0.00 C ATOM 0 H PHE A 56 4.447 4.288 2.565 1.00 0.00 H new ATOM 0 HA PHE A 56 1.652 3.626 1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.596 6.421 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.957 5.908 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.302 4.546 3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.579 6.065 4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.681 4.123 6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.206 5.636 7.194 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.072 4.670 7.954 1.00 0.00 H new ATOM 905 N ILE A 57 2.033 4.395 -0.412 1.00 0.00 N ATOM 906 CA ILE A 57 2.308 4.720 -1.806 1.00 0.00 C ATOM 907 C ILE A 57 1.211 5.604 -2.391 1.00 0.00 C ATOM 908 O ILE A 57 0.024 5.318 -2.239 1.00 0.00 O ATOM 909 CB ILE A 57 2.439 3.448 -2.666 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.677 2.651 -2.250 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.506 3.811 -4.142 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.590 1.180 -2.591 1.00 0.00 C ATOM 0 H ILE A 57 1.182 3.852 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 57 3.255 5.260 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 57 1.559 2.826 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.554 3.077 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.825 2.759 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.598 2.902 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.597 4.341 -4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.370 4.451 -4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.501 0.677 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.732 0.739 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.473 1.063 -3.668 1.00 0.00 H new ATOM 924 N GLU A 58 1.619 6.677 -3.060 1.00 0.00 N ATOM 925 CA GLU A 58 0.670 7.604 -3.668 1.00 0.00 C ATOM 926 C GLU A 58 0.636 7.429 -5.183 1.00 0.00 C ATOM 927 O GLU A 58 1.671 7.471 -5.848 1.00 0.00 O ATOM 928 CB GLU A 58 1.037 9.047 -3.319 1.00 0.00 C ATOM 929 CG GLU A 58 0.011 10.066 -3.788 1.00 0.00 C ATOM 930 CD GLU A 58 0.559 11.480 -3.802 1.00 0.00 C ATOM 931 OE1 GLU A 58 1.798 11.635 -3.794 1.00 0.00 O ATOM 932 OE2 GLU A 58 -0.251 12.430 -3.822 1.00 0.00 O ATOM 0 H GLU A 58 2.599 6.927 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.321 7.383 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.154 9.132 -2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.003 9.285 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.327 9.801 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.861 10.025 -3.136 1.00 0.00 H new ATOM 939 N MET A 59 -0.563 7.232 -5.724 1.00 0.00 N ATOM 940 CA MET A 59 -0.733 7.053 -7.161 1.00 0.00 C ATOM 941 C MET A 59 -1.142 8.362 -7.828 1.00 0.00 C ATOM 942 O MET A 59 -1.623 9.282 -7.168 1.00 0.00 O ATOM 943 CB MET A 59 -1.781 5.974 -7.441 1.00 0.00 C ATOM 944 CG MET A 59 -1.474 4.641 -6.778 1.00 0.00 C ATOM 945 SD MET A 59 0.062 3.907 -7.374 1.00 0.00 S ATOM 946 CE MET A 59 -0.516 3.058 -8.841 1.00 0.00 C ATOM 0 H MET A 59 -1.430 7.192 -5.189 1.00 0.00 H new ATOM 0 HA MET A 59 0.223 6.738 -7.578 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.754 6.326 -7.097 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.859 5.825 -8.518 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.410 4.782 -5.699 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.297 3.950 -6.961 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.310 2.510 -9.293 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.309 2.361 -8.569 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.902 3.786 -9.554 1.00 0.00 H new ATOM 956 N ALA A 60 -0.948 8.438 -9.141 1.00 0.00 N ATOM 957 CA ALA A 60 -1.299 9.633 -9.897 1.00 0.00 C ATOM 958 C ALA A 60 -2.812 9.796 -9.996 1.00 0.00 C ATOM 959 O ALA A 60 -3.318 10.906 -10.157 1.00 0.00 O ATOM 960 CB ALA A 60 -0.680 9.580 -11.286 1.00 0.00 C ATOM 0 H ALA A 60 -0.550 7.686 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.901 10.498 -9.366 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.951 10.479 -11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.405 9.520 -11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.050 8.702 -11.816 1.00 0.00 H new ATOM 966 N THR A 61 -3.530 8.680 -9.902 1.00 0.00 N ATOM 967 CA THR A 61 -4.985 8.700 -9.983 1.00 0.00 C ATOM 968 C THR A 61 -5.604 7.734 -8.978 1.00 0.00 C ATOM 969 O THR A 61 -5.241 6.558 -8.925 1.00 0.00 O ATOM 970 CB THR A 61 -5.473 8.332 -11.397 1.00 0.00 C ATOM 971 OG1 THR A 61 -5.020 7.020 -11.747 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.970 9.339 -12.421 1.00 0.00 C ATOM 0 H THR A 61 -3.127 7.752 -9.770 1.00 0.00 H new ATOM 0 HA THR A 61 -5.301 9.717 -9.750 1.00 0.00 H new ATOM 0 HB THR A 61 -6.563 8.350 -11.398 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.062 6.943 -11.556 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.327 9.059 -13.412 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.342 10.332 -12.168 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.880 9.348 -12.417 1.00 0.00 H new ATOM 980 N THR A 62 -6.541 8.237 -8.181 1.00 0.00 N ATOM 981 CA THR A 62 -7.211 7.421 -7.177 1.00 0.00 C ATOM 982 C THR A 62 -7.695 6.105 -7.773 1.00 0.00 C ATOM 983 O THR A 62 -7.818 5.102 -7.070 1.00 0.00 O ATOM 984 CB THR A 62 -8.409 8.163 -6.556 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.096 7.304 -5.640 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.372 8.635 -7.636 1.00 0.00 C ATOM 0 H THR A 62 -6.853 9.208 -8.212 1.00 0.00 H new ATOM 0 HA THR A 62 -6.478 7.216 -6.397 1.00 0.00 H new ATOM 0 HB THR A 62 -8.031 9.035 -6.022 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.647 7.844 -5.035 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.210 9.156 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.854 9.312 -8.315 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.743 7.775 -8.194 1.00 0.00 H new ATOM 994 N GLU A 63 -7.969 6.115 -9.074 1.00 0.00 N ATOM 995 CA GLU A 63 -8.442 4.920 -9.764 1.00 0.00 C ATOM 996 C GLU A 63 -7.431 3.784 -9.638 1.00 0.00 C ATOM 997 O GLU A 63 -7.805 2.615 -9.541 1.00 0.00 O ATOM 998 CB GLU A 63 -8.700 5.226 -11.241 1.00 0.00 C ATOM 999 CG GLU A 63 -10.143 5.593 -11.543 1.00 0.00 C ATOM 1000 CD GLU A 63 -10.630 5.012 -12.856 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -10.458 5.677 -13.899 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.185 3.894 -12.840 1.00 0.00 O ATOM 0 H GLU A 63 -7.872 6.936 -9.671 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.376 4.607 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.053 6.046 -11.552 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.422 4.357 -11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.781 5.238 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.239 6.678 -11.572 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.151 4.136 -9.639 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.085 3.147 -9.524 1.00 0.00 C ATOM 1011 C ASP A 64 -5.047 2.550 -8.121 1.00 0.00 C ATOM 1012 O ASP A 64 -5.330 1.367 -7.931 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.734 3.781 -9.859 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.809 4.704 -11.059 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.662 4.466 -11.939 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -3.014 5.665 -11.118 1.00 0.00 O ATOM 0 H ASP A 64 -5.825 5.099 -9.718 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.288 2.346 -10.235 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.375 4.341 -8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.005 2.994 -10.054 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.695 3.376 -7.141 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.621 2.929 -5.755 1.00 0.00 C ATOM 1023 C ALA A 65 -5.828 2.073 -5.389 1.00 0.00 C ATOM 1024 O ALA A 65 -5.681 0.959 -4.888 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.517 4.126 -4.821 1.00 0.00 C ATOM 0 H ALA A 65 -4.457 4.358 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.727 2.315 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.462 3.779 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.620 4.697 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.394 4.761 -4.944 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.022 2.602 -5.642 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.254 1.886 -5.337 1.00 0.00 C ATOM 1033 C GLN A 66 -8.220 0.473 -5.912 1.00 0.00 C ATOM 1034 O GLN A 66 -8.622 -0.486 -5.253 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.461 2.645 -5.891 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.819 3.885 -5.088 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.239 4.354 -5.342 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.164 3.547 -5.436 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.419 5.665 -5.454 1.00 0.00 N ATOM 0 H GLN A 66 -7.161 3.523 -6.057 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.344 1.816 -4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.256 2.936 -6.921 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.321 1.976 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.694 3.674 -4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.125 4.688 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.624 6.298 -5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.353 6.039 -5.625 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.738 0.353 -7.145 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.649 -0.942 -7.807 1.00 0.00 C ATOM 1050 C ALA A 67 -6.688 -1.870 -7.073 1.00 0.00 C ATOM 1051 O ALA A 67 -6.994 -3.040 -6.842 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.213 -0.765 -9.254 1.00 0.00 C ATOM 0 H ALA A 67 -7.403 1.137 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.638 -1.400 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.150 -1.740 -9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.940 -0.146 -9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.236 -0.282 -9.283 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.525 -1.341 -6.708 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.519 -2.123 -5.998 1.00 0.00 C ATOM 1060 C ALA A 68 -5.107 -2.764 -4.746 1.00 0.00 C ATOM 1061 O ALA A 68 -4.659 -3.827 -4.311 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.329 -1.247 -5.636 1.00 0.00 C ATOM 0 H ALA A 68 -5.256 -0.375 -6.892 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.181 -2.921 -6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.586 -1.843 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.887 -0.840 -6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.661 -0.429 -4.996 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.111 -2.113 -4.168 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.760 -2.622 -2.965 1.00 0.00 C ATOM 1070 C VAL A 69 -7.697 -3.779 -3.293 1.00 0.00 C ATOM 1071 O VAL A 69 -7.700 -4.801 -2.609 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.559 -1.516 -2.249 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.273 -2.077 -1.029 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.643 -0.366 -1.858 1.00 0.00 C ATOM 0 H VAL A 69 -6.493 -1.232 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.969 -2.976 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.313 -1.133 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.832 -1.281 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.960 -2.864 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.540 -2.488 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.224 0.406 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.866 -0.732 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.182 0.053 -2.753 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.492 -3.609 -4.345 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.433 -4.641 -4.765 1.00 0.00 C ATOM 1086 C ASP A 70 -8.709 -5.951 -5.057 1.00 0.00 C ATOM 1087 O ASP A 70 -9.334 -7.007 -5.164 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.203 -4.183 -6.005 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.662 -4.595 -5.965 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.445 -3.938 -5.247 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.021 -5.574 -6.652 1.00 0.00 O ATOM 0 H ASP A 70 -8.503 -2.767 -4.921 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.137 -4.810 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.137 -3.098 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.734 -4.602 -6.896 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.389 -5.877 -5.184 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.580 -7.056 -5.466 1.00 0.00 C ATOM 1098 C TYR A 71 -6.214 -7.786 -4.178 1.00 0.00 C ATOM 1099 O TYR A 71 -5.884 -8.973 -4.196 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.309 -6.660 -6.220 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.479 -7.841 -6.669 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -4.941 -8.707 -7.653 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.231 -8.092 -6.110 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -4.186 -9.788 -8.065 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.469 -9.169 -6.517 1.00 0.00 C ATOM 1106 CZ TYR A 71 -2.951 -10.014 -7.494 1.00 0.00 C ATOM 1107 OH TYR A 71 -2.195 -11.089 -7.904 1.00 0.00 O ATOM 0 H TYR A 71 -6.856 -5.012 -5.096 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.169 -7.729 -6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.584 -6.067 -7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.701 -6.021 -5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.907 -8.532 -8.103 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.851 -7.433 -5.344 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.561 -10.452 -8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.501 -9.348 -6.073 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.352 -11.106 -7.404 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.275 -7.070 -3.062 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.949 -7.648 -1.763 1.00 0.00 C ATOM 1119 C TYR A 72 -7.166 -8.333 -1.149 1.00 0.00 C ATOM 1120 O TYR A 72 -7.036 -9.249 -0.338 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.428 -6.565 -0.815 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.767 -6.817 0.636 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.951 -7.610 1.433 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.904 -6.262 1.210 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.257 -7.843 2.760 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.217 -6.488 2.537 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.391 -7.280 3.308 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.700 -7.509 4.628 1.00 0.00 O ATOM 0 H TYR A 72 -6.547 -6.088 -3.030 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.171 -8.396 -1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.345 -6.493 -0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.842 -5.602 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.062 -8.052 1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.554 -5.644 0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.612 -8.463 3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.104 -6.047 2.968 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.529 -7.039 4.856 1.00 0.00 H new ATOM 1138 N THR A 73 -8.353 -7.880 -1.545 1.00 0.00 N ATOM 1139 CA THR A 73 -9.595 -8.448 -1.035 1.00 0.00 C ATOM 1140 C THR A 73 -9.988 -9.698 -1.813 1.00 0.00 C ATOM 1141 O THR A 73 -10.651 -10.590 -1.283 1.00 0.00 O ATOM 1142 CB THR A 73 -10.748 -7.429 -1.106 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.873 -7.911 -0.363 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.158 -7.176 -2.549 1.00 0.00 C ATOM 0 H THR A 73 -8.479 -7.123 -2.216 1.00 0.00 H new ATOM 0 HA THR A 73 -9.417 -8.713 0.007 1.00 0.00 H new ATOM 0 HB THR A 73 -10.402 -6.490 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.601 -7.257 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.974 -6.453 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.307 -6.783 -3.105 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.487 -8.111 -3.003 1.00 0.00 H new ATOM 1152 N THR A 74 -9.575 -9.759 -3.076 1.00 0.00 N ATOM 1153 CA THR A 74 -9.884 -10.900 -3.927 1.00 0.00 C ATOM 1154 C THR A 74 -8.708 -11.869 -3.997 1.00 0.00 C ATOM 1155 O THR A 74 -8.895 -13.082 -4.098 1.00 0.00 O ATOM 1156 CB THR A 74 -10.252 -10.454 -5.354 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.079 -10.008 -6.045 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.282 -9.335 -5.323 1.00 0.00 C ATOM 0 H THR A 74 -9.025 -9.030 -3.531 1.00 0.00 H new ATOM 0 HA THR A 74 -10.741 -11.404 -3.480 1.00 0.00 H new ATOM 0 HB THR A 74 -10.681 -11.308 -5.878 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.951 -9.049 -5.888 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.526 -9.037 -6.343 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.184 -9.685 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.875 -8.480 -4.783 1.00 0.00 H new ATOM 1166 N THR A 75 -7.496 -11.326 -3.942 1.00 0.00 N ATOM 1167 CA THR A 75 -6.290 -12.142 -3.999 1.00 0.00 C ATOM 1168 C THR A 75 -5.350 -11.816 -2.844 1.00 0.00 C ATOM 1169 O THR A 75 -5.158 -10.657 -2.475 1.00 0.00 O ATOM 1170 CB THR A 75 -5.538 -11.941 -5.329 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.368 -12.342 -6.425 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.245 -12.742 -5.346 1.00 0.00 C ATOM 0 H THR A 75 -7.324 -10.324 -3.858 1.00 0.00 H new ATOM 0 HA THR A 75 -6.608 -13.182 -3.923 1.00 0.00 H new ATOM 0 HB THR A 75 -5.293 -10.884 -5.427 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.884 -12.210 -7.267 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.732 -12.584 -6.295 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.604 -12.415 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.472 -13.802 -5.228 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.749 -12.861 -2.257 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.818 -12.711 -1.135 1.00 0.00 C ATOM 1182 C PRO A 76 -2.502 -12.065 -1.556 1.00 0.00 C ATOM 1183 O PRO A 76 -1.800 -12.575 -2.428 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.582 -14.151 -0.673 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.850 -14.983 -1.880 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.931 -14.270 -2.644 1.00 0.00 C ATOM 0 HA PRO A 76 -4.219 -12.060 -0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.562 -14.290 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.248 -14.418 0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.951 -15.092 -2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.168 -15.987 -1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.821 -14.409 -3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.922 -14.636 -2.375 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.173 -10.940 -0.930 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.941 -10.225 -1.238 1.00 0.00 C ATOM 1196 C ALA A 77 0.223 -10.753 -0.406 1.00 0.00 C ATOM 1197 O ALA A 77 0.389 -10.379 0.756 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.123 -8.733 -1.006 1.00 0.00 C ATOM 0 H ALA A 77 -2.743 -10.504 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.708 -10.392 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.194 -8.212 -1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.920 -8.359 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.385 -8.556 0.037 1.00 0.00 H new ATOM 1204 N LEU A 78 1.025 -11.626 -1.005 1.00 0.00 N ATOM 1205 CA LEU A 78 2.173 -12.206 -0.319 1.00 0.00 C ATOM 1206 C LEU A 78 3.450 -11.439 -0.649 1.00 0.00 C ATOM 1207 O LEU A 78 3.950 -11.497 -1.772 1.00 0.00 O ATOM 1208 CB LEU A 78 2.335 -13.677 -0.707 1.00 0.00 C ATOM 1209 CG LEU A 78 1.193 -14.608 -0.297 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.519 -16.047 -0.666 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.916 -14.488 1.194 1.00 0.00 C ATOM 0 H LEU A 78 0.901 -11.948 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 78 1.996 -12.136 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.455 -13.736 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.258 -14.050 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 78 0.295 -14.310 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.695 -16.695 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.667 -16.122 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.429 -16.357 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.101 -15.158 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.811 -14.759 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.637 -13.461 1.431 1.00 0.00 H new ATOM 1223 N VAL A 79 3.975 -10.722 0.340 1.00 0.00 N ATOM 1224 CA VAL A 79 5.196 -9.945 0.156 1.00 0.00 C ATOM 1225 C VAL A 79 6.418 -10.721 0.635 1.00 0.00 C ATOM 1226 O VAL A 79 6.492 -11.131 1.794 1.00 0.00 O ATOM 1227 CB VAL A 79 5.126 -8.603 0.909 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.461 -7.879 0.835 1.00 0.00 C ATOM 1229 CG2 VAL A 79 4.009 -7.736 0.348 1.00 0.00 C ATOM 0 H VAL A 79 3.574 -10.663 1.276 1.00 0.00 H new ATOM 0 HA VAL A 79 5.289 -9.749 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 79 4.907 -8.805 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.392 -6.933 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.236 -8.498 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.713 -7.686 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.974 -6.792 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.196 -7.540 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.056 -8.254 0.458 1.00 0.00 H new ATOM 1239 N PHE A 80 7.375 -10.919 -0.265 1.00 0.00 N ATOM 1240 CA PHE A 80 8.595 -11.647 0.065 1.00 0.00 C ATOM 1241 C PHE A 80 8.290 -13.111 0.372 1.00 0.00 C ATOM 1242 O PHE A 80 9.176 -13.874 0.755 1.00 0.00 O ATOM 1243 CB PHE A 80 9.293 -10.999 1.263 1.00 0.00 C ATOM 1244 CG PHE A 80 10.423 -10.087 0.879 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.392 -10.505 -0.018 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.514 -8.813 1.414 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.433 -9.668 -0.374 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.553 -7.971 1.062 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.513 -8.399 0.166 1.00 0.00 C ATOM 0 H PHE A 80 7.330 -10.586 -1.228 1.00 0.00 H new ATOM 0 HA PHE A 80 9.257 -11.605 -0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.560 -10.433 1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.676 -11.782 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.334 -11.496 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.765 -8.473 2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.183 -10.006 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.614 -6.980 1.487 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.325 -7.743 -0.112 1.00 0.00 H new ATOM 1259 N GLY A 81 7.029 -13.495 0.198 1.00 0.00 N ATOM 1260 CA GLY A 81 6.628 -14.865 0.460 1.00 0.00 C ATOM 1261 C GLY A 81 5.617 -14.968 1.585 1.00 0.00 C ATOM 1262 O GLY A 81 4.916 -15.973 1.710 1.00 0.00 O ATOM 0 H GLY A 81 6.278 -12.882 -0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.203 -15.296 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.508 -15.456 0.712 1.00 0.00 H new ATOM 1266 N LYS A 82 5.540 -13.927 2.407 1.00 0.00 N ATOM 1267 CA LYS A 82 4.608 -13.904 3.528 1.00 0.00 C ATOM 1268 C LYS A 82 3.461 -12.934 3.261 1.00 0.00 C ATOM 1269 O LYS A 82 3.589 -11.979 2.496 1.00 0.00 O ATOM 1270 CB LYS A 82 5.336 -13.507 4.814 1.00 0.00 C ATOM 1271 CG LYS A 82 6.284 -12.334 4.641 1.00 0.00 C ATOM 1272 CD LYS A 82 7.692 -12.799 4.307 1.00 0.00 C ATOM 1273 CE LYS A 82 8.718 -11.708 4.578 1.00 0.00 C ATOM 1274 NZ LYS A 82 10.093 -12.134 4.197 1.00 0.00 N ATOM 0 H LYS A 82 6.112 -13.087 2.318 1.00 0.00 H new ATOM 0 HA LYS A 82 4.194 -14.906 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.598 -13.257 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.898 -14.365 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.917 -11.683 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.303 -11.742 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.934 -13.683 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.740 -13.093 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.449 -10.810 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.699 -11.446 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.537 -11.394 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.660 -12.287 5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.044 -13.019 3.653 1.00 0.00 H new ATOM 1288 N PRO A 83 2.312 -13.183 3.907 1.00 0.00 N ATOM 1289 CA PRO A 83 1.122 -12.342 3.757 1.00 0.00 C ATOM 1290 C PRO A 83 1.297 -10.968 4.396 1.00 0.00 C ATOM 1291 O PRO A 83 2.087 -10.801 5.325 1.00 0.00 O ATOM 1292 CB PRO A 83 0.033 -13.135 4.487 1.00 0.00 C ATOM 1293 CG PRO A 83 0.771 -13.968 5.477 1.00 0.00 C ATOM 1294 CD PRO A 83 2.089 -14.304 4.836 1.00 0.00 C ATOM 0 HA PRO A 83 0.895 -12.142 2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.677 -12.471 4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.537 -13.755 3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.918 -13.425 6.411 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.213 -14.873 5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.887 -14.379 5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.049 -15.259 4.312 1.00 0.00 H new ATOM 1302 N VAL A 84 0.556 -9.987 3.892 1.00 0.00 N ATOM 1303 CA VAL A 84 0.628 -8.628 4.414 1.00 0.00 C ATOM 1304 C VAL A 84 -0.750 -7.977 4.447 1.00 0.00 C ATOM 1305 O VAL A 84 -1.768 -8.645 4.263 1.00 0.00 O ATOM 1306 CB VAL A 84 1.577 -7.754 3.573 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.936 -8.422 3.433 1.00 0.00 C ATOM 1308 CG2 VAL A 84 0.970 -7.471 2.208 1.00 0.00 C ATOM 0 H VAL A 84 -0.102 -10.108 3.122 1.00 0.00 H new ATOM 0 HA VAL A 84 1.016 -8.700 5.430 1.00 0.00 H new ATOM 0 HB VAL A 84 1.718 -6.803 4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.593 -7.789 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.373 -8.568 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.818 -9.388 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.654 -6.852 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.798 -8.411 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.023 -6.946 2.333 1.00 0.00 H new ATOM 1318 N ARG A 85 -0.775 -6.669 4.682 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.029 -5.928 4.739 1.00 0.00 C ATOM 1320 C ARG A 85 -1.996 -4.729 3.795 1.00 0.00 C ATOM 1321 O ARG A 85 -0.978 -4.047 3.676 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.301 -5.455 6.169 1.00 0.00 C ATOM 1323 CG ARG A 85 -2.891 -6.534 7.064 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.620 -5.932 8.255 1.00 0.00 C ATOM 1325 NE ARG A 85 -2.794 -5.931 9.459 1.00 0.00 N ATOM 1326 CZ ARG A 85 -3.171 -5.382 10.608 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -4.355 -4.795 10.709 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -2.363 -5.421 11.660 1.00 0.00 N ATOM 0 H ARG A 85 0.058 -6.101 4.836 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.831 -6.596 4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.369 -5.099 6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.984 -4.606 6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.581 -7.150 6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.096 -7.191 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.918 -4.910 8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.534 -6.495 8.443 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.877 -6.376 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.979 -4.764 9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.642 -4.374 11.593 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.452 -5.873 11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.653 -4.999 12.542 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.116 -4.480 3.125 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.216 -3.364 2.191 1.00 0.00 C ATOM 1344 C VAL A 86 -4.530 -2.613 2.370 1.00 0.00 C ATOM 1345 O VAL A 86 -5.599 -3.220 2.447 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.107 -3.844 0.731 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.269 -2.674 -0.228 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.781 -4.552 0.501 1.00 0.00 C ATOM 0 H VAL A 86 -3.967 -5.036 3.211 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.385 -2.693 2.409 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.910 -4.555 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.189 -3.031 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.246 -2.214 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.488 -1.937 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.721 -4.884 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.961 -3.865 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.709 -5.415 1.163 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.444 -1.288 2.439 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.627 -0.453 2.609 1.00 0.00 C ATOM 1360 C HIS A 87 -5.540 0.795 1.736 1.00 0.00 C ATOM 1361 O HIS A 87 -4.493 1.090 1.158 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.789 -0.053 4.076 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.007 -1.217 4.993 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.470 -1.287 6.261 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.712 -2.359 4.821 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.834 -2.425 6.827 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.588 -3.093 5.975 1.00 0.00 N ATOM 0 H HIS A 87 -3.567 -0.770 2.380 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.498 -1.032 2.300 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.900 0.490 4.396 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.631 0.633 4.166 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.269 -2.641 3.940 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.560 -2.752 7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.010 -4.006 6.146 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.647 1.525 1.644 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.697 2.742 0.841 1.00 0.00 C ATOM 1377 C LEU A 88 -6.896 3.969 1.724 1.00 0.00 C ATOM 1378 O LEU A 88 -7.994 4.521 1.797 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.823 2.651 -0.189 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.552 3.313 -1.541 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.540 4.827 -1.401 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.237 2.817 -2.122 1.00 0.00 C ATOM 0 H LEU A 88 -7.522 1.295 2.116 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.745 2.844 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.047 1.598 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.718 3.101 0.240 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.354 3.040 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.346 5.281 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.507 5.166 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.759 5.121 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.060 3.298 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.423 3.060 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.285 1.737 -2.260 1.00 0.00 H new