USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 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 62 THR OG1 : rot 83:sc= 0.429 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.791 K(o=1.2,f=-1.3) USER MOD Set 2.1: A 19 HIS :FLIP no HE2:sc= -9.55! C(o=-16!,f=-13!) USER MOD Set 2.2: A 21 MET CE :methyl -129:sc= -1.12 (180deg=-0.22) USER MOD Set 2.3: A 87 HIS :FLIP no HE2:sc= -2.18! F(o=-14,f=-13!) USER MOD Single : A 24 GLN : amide:sc= -0.038 X(o=-0.038,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.00807 X(o=-0.0081,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.82) USER MOD Single : A 35 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.4) USER MOD Single : A 44 SER OG : rot -160:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.69) USER MOD Single : A 46 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-3!) USER MOD Single : A 50 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 59 MET CE :methyl -172:sc= -2.64! (180deg=-3.08!) USER MOD Single : A 61 THR OG1 : rot -40:sc= 0.136 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 Single : A 74 THR OG1 : rot -82:sc= 1.1 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.432) USER MOD ----------------------------------------------------------------- ATOM 205 N ARG A 16 -4.911 9.692 -3.125 1.00 0.00 N ATOM 206 CA ARG A 16 -4.498 8.307 -3.314 1.00 0.00 C ATOM 207 C ARG A 16 -3.363 7.944 -2.360 1.00 0.00 C ATOM 208 O ARG A 16 -2.221 8.359 -2.552 1.00 0.00 O ATOM 209 CB ARG A 16 -4.058 8.075 -4.760 1.00 0.00 C ATOM 210 CG ARG A 16 -4.721 9.013 -5.755 1.00 0.00 C ATOM 211 CD ARG A 16 -4.039 10.371 -5.782 1.00 0.00 C ATOM 212 NE ARG A 16 -4.984 11.463 -5.564 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.644 12.746 -5.591 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.386 13.097 -5.824 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.561 13.682 -5.382 1.00 0.00 N ATOM 0 HA ARG A 16 -5.352 7.666 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.977 8.194 -4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.282 7.045 -5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.690 8.570 -6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.772 9.138 -5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.265 10.403 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.542 10.508 -6.742 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.959 11.227 -5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.678 12.380 -5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.127 14.083 -5.844 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.529 13.416 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.298 14.667 -5.403 1.00 0.00 H new ATOM 229 N VAL A 17 -3.687 7.166 -1.332 1.00 0.00 N ATOM 230 CA VAL A 17 -2.696 6.746 -0.348 1.00 0.00 C ATOM 231 C VAL A 17 -2.922 5.300 0.077 1.00 0.00 C ATOM 232 O VAL A 17 -3.703 5.024 0.988 1.00 0.00 O ATOM 233 CB VAL A 17 -2.726 7.648 0.900 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.777 7.118 1.965 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.378 9.082 0.530 1.00 0.00 C ATOM 0 H VAL A 17 -4.628 6.814 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.720 6.833 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.736 7.638 1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.812 7.768 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.077 6.110 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.762 7.096 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.404 9.705 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.379 9.113 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.101 9.457 -0.194 1.00 0.00 H new ATOM 245 N VAL A 18 -2.232 4.378 -0.587 1.00 0.00 N ATOM 246 CA VAL A 18 -2.357 2.960 -0.278 1.00 0.00 C ATOM 247 C VAL A 18 -1.428 2.564 0.866 1.00 0.00 C ATOM 248 O VAL A 18 -0.217 2.438 0.682 1.00 0.00 O ATOM 249 CB VAL A 18 -2.039 2.086 -1.507 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.857 2.656 -2.275 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.770 0.650 -1.085 1.00 0.00 C ATOM 0 H VAL A 18 -1.580 4.589 -1.343 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.392 2.791 0.020 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.906 2.089 -2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.647 2.026 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.094 3.666 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.018 2.686 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.547 0.048 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.920 0.624 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.650 0.247 -0.583 1.00 0.00 H new ATOM 261 N HIS A 19 -2.004 2.366 2.047 1.00 0.00 N ATOM 262 CA HIS A 19 -1.229 1.983 3.221 1.00 0.00 C ATOM 263 C HIS A 19 -0.965 0.480 3.231 1.00 0.00 C ATOM 264 O HIS A 19 -1.860 -0.319 2.955 1.00 0.00 O ATOM 265 CB HIS A 19 -1.964 2.391 4.499 1.00 0.00 C ATOM 266 CG HIS A 19 -1.295 1.915 5.752 1.00 0.00 C ATOM 267 ND1 HIS A 19 0.016 1.751 6.049 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -1.992 1.541 6.881 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 0.085 1.287 7.339 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -1.139 1.170 7.819 1.00 0.00 N flip ATOM 0 H HIS A 19 -3.005 2.464 2.216 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.272 2.503 3.179 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.045 3.477 4.531 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.979 1.996 4.466 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.805 1.937 5.430 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.067 1.550 6.983 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.994 1.055 7.875 1.00 0.00 H new ATOM 278 N ILE A 20 0.270 0.104 3.548 1.00 0.00 N ATOM 279 CA ILE A 20 0.651 -1.302 3.594 1.00 0.00 C ATOM 280 C ILE A 20 1.385 -1.631 4.889 1.00 0.00 C ATOM 281 O ILE A 20 2.317 -0.930 5.282 1.00 0.00 O ATOM 282 CB ILE A 20 1.547 -1.682 2.400 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.942 -1.160 1.094 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.735 -3.189 2.337 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.891 -0.300 0.289 1.00 0.00 C ATOM 0 H ILE A 20 1.023 0.753 3.777 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.272 -1.880 3.545 1.00 0.00 H new ATOM 0 HB ILE A 20 2.524 -1.219 2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.627 -2.007 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.047 -0.582 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.370 -3.441 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.205 -3.536 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.765 -3.672 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.395 0.034 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.187 0.567 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.776 -0.880 0.028 1.00 0.00 H new ATOM 297 N MET A 21 0.958 -2.704 5.549 1.00 0.00 N ATOM 298 CA MET A 21 1.576 -3.127 6.799 1.00 0.00 C ATOM 299 C MET A 21 1.883 -4.622 6.775 1.00 0.00 C ATOM 300 O MET A 21 1.549 -5.318 5.816 1.00 0.00 O ATOM 301 CB MET A 21 0.662 -2.803 7.981 1.00 0.00 C ATOM 302 CG MET A 21 -0.192 -1.563 7.766 1.00 0.00 C ATOM 303 SD MET A 21 -1.948 -1.946 7.622 1.00 0.00 S ATOM 304 CE MET A 21 -2.248 -1.516 5.909 1.00 0.00 C ATOM 0 H MET A 21 0.187 -3.295 5.238 1.00 0.00 H new ATOM 0 HA MET A 21 2.513 -2.582 6.914 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.010 -3.655 8.170 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.272 -2.664 8.874 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.041 -0.874 8.597 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.139 -1.050 6.863 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.110 -0.852 5.846 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.371 -1.012 5.501 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.445 -2.422 5.336 1.00 0.00 H new ATOM 314 N ASP A 22 2.520 -5.108 7.834 1.00 0.00 N ATOM 315 CA ASP A 22 2.871 -6.520 7.934 1.00 0.00 C ATOM 316 C ASP A 22 3.886 -6.904 6.863 1.00 0.00 C ATOM 317 O ASP A 22 4.046 -8.081 6.538 1.00 0.00 O ATOM 318 CB ASP A 22 1.619 -7.389 7.803 1.00 0.00 C ATOM 319 CG ASP A 22 1.030 -7.763 9.150 1.00 0.00 C ATOM 320 OD1 ASP A 22 1.813 -8.044 10.081 1.00 0.00 O ATOM 321 OD2 ASP A 22 -0.213 -7.776 9.271 1.00 0.00 O ATOM 0 H ASP A 22 2.804 -4.545 8.636 1.00 0.00 H new ATOM 0 HA ASP A 22 3.320 -6.689 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.870 -6.856 7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.866 -8.297 7.253 1.00 0.00 H new ATOM 326 N PHE A 23 4.570 -5.904 6.317 1.00 0.00 N ATOM 327 CA PHE A 23 5.569 -6.138 5.281 1.00 0.00 C ATOM 328 C PHE A 23 6.981 -6.033 5.852 1.00 0.00 C ATOM 329 O PHE A 23 7.289 -5.107 6.603 1.00 0.00 O ATOM 330 CB PHE A 23 5.393 -5.136 4.138 1.00 0.00 C ATOM 331 CG PHE A 23 5.828 -3.742 4.491 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.154 -3.362 4.360 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.910 -2.812 4.954 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.557 -2.079 4.683 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.308 -1.529 5.279 1.00 0.00 C ATOM 336 CZ PHE A 23 6.632 -1.163 5.144 1.00 0.00 C ATOM 0 H PHE A 23 4.451 -4.924 6.575 1.00 0.00 H new ATOM 0 HA PHE A 23 5.427 -7.148 4.896 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.963 -5.478 3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.345 -5.117 3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.881 -4.076 4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.873 -3.093 5.062 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.593 -1.794 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.583 -0.813 5.638 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.944 -0.161 5.399 1.00 0.00 H new ATOM 346 N GLN A 24 7.832 -6.987 5.491 1.00 0.00 N ATOM 347 CA GLN A 24 9.210 -7.002 5.968 1.00 0.00 C ATOM 348 C GLN A 24 10.127 -6.257 5.005 1.00 0.00 C ATOM 349 O GLN A 24 9.685 -5.759 3.969 1.00 0.00 O ATOM 350 CB GLN A 24 9.695 -8.442 6.143 1.00 0.00 C ATOM 351 CG GLN A 24 8.924 -9.220 7.197 1.00 0.00 C ATOM 352 CD GLN A 24 9.120 -8.664 8.593 1.00 0.00 C ATOM 353 OE1 GLN A 24 10.233 -8.305 8.980 1.00 0.00 O ATOM 354 NE2 GLN A 24 8.037 -8.588 9.358 1.00 0.00 N ATOM 0 H GLN A 24 7.592 -7.760 4.870 1.00 0.00 H new ATOM 0 HA GLN A 24 9.240 -6.496 6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.615 -8.962 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.751 -8.431 6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.862 -9.205 6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.241 -10.263 7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.135 -8.897 8.997 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.108 -8.221 10.307 1.00 0.00 H new ATOM 363 N ARG A 25 11.408 -6.183 5.353 1.00 0.00 N ATOM 364 CA ARG A 25 12.389 -5.498 4.520 1.00 0.00 C ATOM 365 C ARG A 25 13.549 -6.424 4.171 1.00 0.00 C ATOM 366 O ARG A 25 13.719 -7.480 4.780 1.00 0.00 O ATOM 367 CB ARG A 25 12.913 -4.251 5.234 1.00 0.00 C ATOM 368 CG ARG A 25 11.821 -3.275 5.638 1.00 0.00 C ATOM 369 CD ARG A 25 12.301 -1.835 5.554 1.00 0.00 C ATOM 370 NE ARG A 25 12.381 -1.207 6.871 1.00 0.00 N ATOM 371 CZ ARG A 25 11.320 -0.953 7.629 1.00 0.00 C ATOM 372 NH1 ARG A 25 10.106 -1.274 7.205 1.00 0.00 N ATOM 373 NH2 ARG A 25 11.473 -0.379 8.816 1.00 0.00 N ATOM 0 H ARG A 25 11.791 -6.589 6.207 1.00 0.00 H new ATOM 0 HA ARG A 25 11.897 -5.199 3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.462 -4.557 6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.622 -3.740 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.954 -3.409 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.496 -3.492 6.655 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.282 -1.807 5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.623 -1.263 4.920 1.00 0.00 H new ATOM 0 HE ARG A 25 13.301 -0.950 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.984 -1.717 6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.293 -1.078 7.789 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.406 -0.133 9.147 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.658 -0.184 9.397 1.00 0.00 H new ATOM 387 N GLY A 26 14.346 -6.021 3.185 1.00 0.00 N ATOM 388 CA GLY A 26 15.480 -6.827 2.772 1.00 0.00 C ATOM 389 C GLY A 26 16.450 -6.058 1.898 1.00 0.00 C ATOM 390 O GLY A 26 17.230 -5.243 2.391 1.00 0.00 O ATOM 0 H GLY A 26 14.226 -5.151 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.003 -7.192 3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.122 -7.702 2.229 1.00 0.00 H new ATOM 394 N LYS A 27 16.404 -6.317 0.595 1.00 0.00 N ATOM 395 CA LYS A 27 17.287 -5.644 -0.350 1.00 0.00 C ATOM 396 C LYS A 27 16.485 -4.786 -1.325 1.00 0.00 C ATOM 397 O LYS A 27 16.657 -3.570 -1.382 1.00 0.00 O ATOM 398 CB LYS A 27 18.119 -6.669 -1.123 1.00 0.00 C ATOM 399 CG LYS A 27 18.995 -6.055 -2.200 1.00 0.00 C ATOM 400 CD LYS A 27 19.918 -7.088 -2.825 1.00 0.00 C ATOM 401 CE LYS A 27 21.356 -6.902 -2.366 1.00 0.00 C ATOM 402 NZ LYS A 27 21.715 -7.844 -1.271 1.00 0.00 N ATOM 0 H LYS A 27 15.764 -6.988 0.170 1.00 0.00 H new ATOM 0 HA LYS A 27 17.956 -4.995 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.750 -7.215 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.449 -7.396 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.367 -5.613 -2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.589 -5.248 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.577 -8.089 -2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.869 -7.011 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 27 22.029 -7.053 -3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 27 21.498 -5.877 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 22.703 -7.685 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 21.090 -7.683 -0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.604 -8.823 -1.605 1.00 0.00 H new ATOM 416 N ASN A 28 15.608 -5.430 -2.089 1.00 0.00 N ATOM 417 CA ASN A 28 14.780 -4.725 -3.060 1.00 0.00 C ATOM 418 C ASN A 28 13.331 -4.651 -2.589 1.00 0.00 C ATOM 419 O ASN A 28 12.400 -4.793 -3.382 1.00 0.00 O ATOM 420 CB ASN A 28 14.850 -5.419 -4.421 1.00 0.00 C ATOM 421 CG ASN A 28 16.229 -5.329 -5.046 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.654 -4.260 -5.484 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.933 -6.454 -5.091 1.00 0.00 N ATOM 0 H ASN A 28 15.453 -6.438 -2.054 1.00 0.00 H new ATOM 0 HA ASN A 28 15.164 -3.710 -3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.574 -6.467 -4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.119 -4.969 -5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.867 -6.455 -5.501 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.540 -7.317 -4.715 1.00 0.00 H new ATOM 430 N LEU A 29 13.147 -4.430 -1.291 1.00 0.00 N ATOM 431 CA LEU A 29 11.811 -4.337 -0.712 1.00 0.00 C ATOM 432 C LEU A 29 11.012 -3.212 -1.364 1.00 0.00 C ATOM 433 O LEU A 29 9.942 -3.444 -1.927 1.00 0.00 O ATOM 434 CB LEU A 29 11.904 -4.103 0.796 1.00 0.00 C ATOM 435 CG LEU A 29 10.589 -3.775 1.506 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.250 -2.302 1.349 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.462 -4.644 0.969 1.00 0.00 C ATOM 0 H LEU A 29 13.906 -4.312 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 29 11.295 -5.279 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.330 -4.994 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.604 -3.287 0.975 1.00 0.00 H new ATOM 0 HG LEU A 29 10.710 -3.987 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.312 -2.088 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.046 -1.697 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.149 -2.063 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.534 -4.397 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.341 -4.464 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.701 -5.694 1.136 1.00 0.00 H new ATOM 449 N ARG A 30 11.541 -1.996 -1.288 1.00 0.00 N ATOM 450 CA ARG A 30 10.877 -0.836 -1.871 1.00 0.00 C ATOM 451 C ARG A 30 10.231 -1.195 -3.206 1.00 0.00 C ATOM 452 O ARG A 30 9.255 -0.570 -3.623 1.00 0.00 O ATOM 453 CB ARG A 30 11.876 0.305 -2.067 1.00 0.00 C ATOM 454 CG ARG A 30 11.262 1.554 -2.678 1.00 0.00 C ATOM 455 CD ARG A 30 12.165 2.152 -3.747 1.00 0.00 C ATOM 456 NE ARG A 30 12.412 1.216 -4.841 1.00 0.00 N ATOM 457 CZ ARG A 30 13.126 1.520 -5.919 1.00 0.00 C ATOM 458 NH1 ARG A 30 13.661 2.726 -6.047 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.307 0.614 -6.872 1.00 0.00 N ATOM 0 H ARG A 30 12.428 -1.788 -0.829 1.00 0.00 H new ATOM 0 HA ARG A 30 10.096 -0.512 -1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.316 0.561 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.688 -0.040 -2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.293 1.309 -3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.083 2.292 -1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.707 3.059 -4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.114 2.444 -3.298 1.00 0.00 H new ATOM 0 HE ARG A 30 12.015 0.279 -4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.525 3.424 -5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.209 2.956 -6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.898 -0.315 -6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.855 0.847 -7.700 1.00 0.00 H new ATOM 473 N TYR A 31 10.780 -2.205 -3.872 1.00 0.00 N ATOM 474 CA TYR A 31 10.259 -2.644 -5.160 1.00 0.00 C ATOM 475 C TYR A 31 9.096 -3.615 -4.976 1.00 0.00 C ATOM 476 O TYR A 31 8.095 -3.543 -5.687 1.00 0.00 O ATOM 477 CB TYR A 31 11.366 -3.308 -5.982 1.00 0.00 C ATOM 478 CG TYR A 31 10.859 -4.360 -6.942 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.357 -4.007 -8.188 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.881 -5.707 -6.603 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.892 -4.964 -9.070 1.00 0.00 C ATOM 482 CE2 TYR A 31 10.419 -6.672 -7.477 1.00 0.00 C ATOM 483 CZ TYR A 31 9.925 -6.296 -8.709 1.00 0.00 C ATOM 484 OH TYR A 31 9.464 -7.253 -9.583 1.00 0.00 O ATOM 0 H TYR A 31 11.586 -2.735 -3.540 1.00 0.00 H new ATOM 0 HA TYR A 31 9.895 -1.766 -5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.899 -2.541 -6.545 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.087 -3.764 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.330 -2.966 -8.473 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.266 -6.005 -5.639 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.505 -4.672 -10.035 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.444 -7.715 -7.197 1.00 0.00 H new ATOM 0 HH TYR A 31 9.558 -8.140 -9.177 1.00 0.00 H new ATOM 494 N GLN A 32 9.238 -4.521 -4.013 1.00 0.00 N ATOM 495 CA GLN A 32 8.200 -5.506 -3.734 1.00 0.00 C ATOM 496 C GLN A 32 6.862 -4.825 -3.463 1.00 0.00 C ATOM 497 O GLN A 32 5.853 -5.144 -4.093 1.00 0.00 O ATOM 498 CB GLN A 32 8.596 -6.370 -2.535 1.00 0.00 C ATOM 499 CG GLN A 32 9.892 -7.138 -2.741 1.00 0.00 C ATOM 500 CD GLN A 32 9.659 -8.564 -3.201 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.746 -9.240 -2.725 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.483 -9.029 -4.132 1.00 0.00 N ATOM 0 H GLN A 32 10.061 -4.593 -3.414 1.00 0.00 H new ATOM 0 HA GLN A 32 8.093 -6.142 -4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.696 -5.733 -1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.793 -7.077 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.505 -6.618 -3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.456 -7.149 -1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.226 -8.434 -4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.373 -9.981 -4.481 1.00 0.00 H new ATOM 511 N LEU A 33 6.861 -3.885 -2.524 1.00 0.00 N ATOM 512 CA LEU A 33 5.646 -3.159 -2.170 1.00 0.00 C ATOM 513 C LEU A 33 5.099 -2.395 -3.371 1.00 0.00 C ATOM 514 O LEU A 33 3.934 -2.549 -3.741 1.00 0.00 O ATOM 515 CB LEU A 33 5.924 -2.191 -1.019 1.00 0.00 C ATOM 516 CG LEU A 33 6.326 -2.829 0.312 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.834 -1.771 1.278 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.152 -3.585 0.916 1.00 0.00 C ATOM 0 H LEU A 33 7.687 -3.608 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 33 4.898 -3.885 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.717 -1.510 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.032 -1.587 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 33 7.132 -3.538 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.115 -2.243 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.703 -1.273 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.049 -1.038 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.456 -4.033 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.326 -2.896 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.832 -4.369 0.230 1.00 0.00 H new ATOM 530 N LEU A 34 5.948 -1.574 -3.980 1.00 0.00 N ATOM 531 CA LEU A 34 5.551 -0.787 -5.142 1.00 0.00 C ATOM 532 C LEU A 34 4.984 -1.683 -6.239 1.00 0.00 C ATOM 533 O LEU A 34 4.057 -1.297 -6.950 1.00 0.00 O ATOM 534 CB LEU A 34 6.745 0.004 -5.680 1.00 0.00 C ATOM 535 CG LEU A 34 7.169 1.222 -4.859 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.567 1.671 -5.252 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.172 2.358 -5.038 1.00 0.00 C ATOM 0 H LEU A 34 6.916 -1.436 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 34 4.773 -0.090 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.597 -0.671 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.509 0.337 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 34 7.184 0.939 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.851 2.539 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.273 0.861 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.580 1.936 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.489 3.217 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.126 2.639 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.186 2.033 -4.706 1.00 0.00 H new ATOM 549 N GLN A 35 5.547 -2.880 -6.368 1.00 0.00 N ATOM 550 CA GLN A 35 5.096 -3.830 -7.377 1.00 0.00 C ATOM 551 C GLN A 35 3.622 -4.172 -7.182 1.00 0.00 C ATOM 552 O GLN A 35 2.996 -4.781 -8.051 1.00 0.00 O ATOM 553 CB GLN A 35 5.939 -5.105 -7.319 1.00 0.00 C ATOM 554 CG GLN A 35 7.178 -5.056 -8.198 1.00 0.00 C ATOM 555 CD GLN A 35 6.890 -4.510 -9.583 1.00 0.00 C ATOM 556 OE1 GLN A 35 7.471 -3.509 -10.002 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.989 -5.168 -10.303 1.00 0.00 N ATOM 0 H GLN A 35 6.316 -3.214 -5.787 1.00 0.00 H new ATOM 0 HA GLN A 35 5.216 -3.367 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.242 -5.283 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.323 -5.952 -7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.935 -4.436 -7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.596 -6.059 -8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.531 -5.994 -9.916 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.755 -4.848 -11.243 1.00 0.00 H new ATOM 566 N LEU A 36 3.074 -3.777 -6.039 1.00 0.00 N ATOM 567 CA LEU A 36 1.673 -4.042 -5.730 1.00 0.00 C ATOM 568 C LEU A 36 0.768 -2.988 -6.360 1.00 0.00 C ATOM 569 O LEU A 36 -0.451 -3.150 -6.409 1.00 0.00 O ATOM 570 CB LEU A 36 1.461 -4.072 -4.215 1.00 0.00 C ATOM 571 CG LEU A 36 2.242 -5.142 -3.450 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.102 -4.933 -1.950 1.00 0.00 C ATOM 573 CD2 LEU A 36 1.767 -6.532 -3.843 1.00 0.00 C ATOM 0 H LEU A 36 3.578 -3.272 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 36 1.412 -5.015 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.730 -3.096 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.398 -4.216 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 36 3.296 -5.053 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.664 -5.703 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.491 -3.951 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.050 -4.995 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.334 -7.280 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.707 -6.634 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.919 -6.680 -4.912 1.00 0.00 H new ATOM 585 N VAL A 37 1.374 -1.909 -6.844 1.00 0.00 N ATOM 586 CA VAL A 37 0.624 -0.829 -7.475 1.00 0.00 C ATOM 587 C VAL A 37 1.162 -0.528 -8.870 1.00 0.00 C ATOM 588 O VAL A 37 0.442 -0.013 -9.725 1.00 0.00 O ATOM 589 CB VAL A 37 0.673 0.457 -6.630 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.207 0.181 -5.208 1.00 0.00 C ATOM 591 CG2 VAL A 37 2.076 1.045 -6.636 1.00 0.00 C ATOM 0 H VAL A 37 2.382 -1.759 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.410 -1.165 -7.552 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.004 1.188 -7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.249 1.102 -4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.818 -0.190 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.856 -0.566 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.092 1.953 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.776 0.321 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.367 1.283 -7.659 1.00 0.00 H new ATOM 601 N GLU A 38 2.431 -0.855 -9.093 1.00 0.00 N ATOM 602 CA GLU A 38 3.065 -0.619 -10.384 1.00 0.00 C ATOM 603 C GLU A 38 2.152 -1.057 -11.527 1.00 0.00 C ATOM 604 O GLU A 38 1.749 -0.259 -12.373 1.00 0.00 O ATOM 605 CB GLU A 38 4.398 -1.366 -10.468 1.00 0.00 C ATOM 606 CG GLU A 38 5.601 -0.449 -10.606 1.00 0.00 C ATOM 607 CD GLU A 38 6.268 -0.562 -11.963 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.604 -0.263 -12.978 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.453 -0.950 -12.011 1.00 0.00 O ATOM 0 H GLU A 38 3.040 -1.284 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 38 3.250 0.451 -10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.519 -1.978 -9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.371 -2.046 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.287 0.582 -10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.326 -0.688 -9.828 1.00 0.00 H new ATOM 616 N PRO A 39 1.817 -2.356 -11.552 1.00 0.00 N ATOM 617 CA PRO A 39 0.949 -2.930 -12.583 1.00 0.00 C ATOM 618 C PRO A 39 -0.496 -2.460 -12.453 1.00 0.00 C ATOM 619 O PRO A 39 -1.366 -2.872 -13.220 1.00 0.00 O ATOM 620 CB PRO A 39 1.046 -4.437 -12.330 1.00 0.00 C ATOM 621 CG PRO A 39 1.401 -4.557 -10.889 1.00 0.00 C ATOM 622 CD PRO A 39 2.261 -3.364 -10.574 1.00 0.00 C ATOM 0 HA PRO A 39 1.255 -2.631 -13.586 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.102 -4.937 -12.548 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.804 -4.897 -12.964 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.506 -4.569 -10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.937 -5.486 -10.695 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.114 -3.022 -9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.321 -3.592 -10.685 1.00 0.00 H new ATOM 630 N PHE A 40 -0.745 -1.594 -11.476 1.00 0.00 N ATOM 631 CA PHE A 40 -2.086 -1.068 -11.244 1.00 0.00 C ATOM 632 C PHE A 40 -2.184 0.387 -11.694 1.00 0.00 C ATOM 633 O PHE A 40 -3.266 0.878 -12.012 1.00 0.00 O ATOM 634 CB PHE A 40 -2.452 -1.182 -9.763 1.00 0.00 C ATOM 635 CG PHE A 40 -2.569 -2.599 -9.282 1.00 0.00 C ATOM 636 CD1 PHE A 40 -1.464 -3.269 -8.782 1.00 0.00 C ATOM 637 CD2 PHE A 40 -3.785 -3.263 -9.328 1.00 0.00 C ATOM 638 CE1 PHE A 40 -1.569 -4.574 -8.339 1.00 0.00 C ATOM 639 CE2 PHE A 40 -3.896 -4.568 -8.887 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.786 -5.223 -8.390 1.00 0.00 C ATOM 0 H PHE A 40 -0.036 -1.242 -10.832 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.789 -1.660 -11.831 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.697 -0.667 -9.170 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.398 -0.669 -9.590 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.510 -2.766 -8.738 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.656 -2.754 -9.713 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.699 -5.085 -7.953 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.849 -5.075 -8.931 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.870 -6.242 -8.042 1.00 0.00 H new ATOM 650 N GLY A 41 -1.044 1.072 -11.716 1.00 0.00 N ATOM 651 CA GLY A 41 -1.023 2.463 -12.127 1.00 0.00 C ATOM 652 C GLY A 41 0.378 3.041 -12.147 1.00 0.00 C ATOM 653 O GLY A 41 1.349 2.325 -12.396 1.00 0.00 O ATOM 0 H GLY A 41 -0.135 0.688 -11.456 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.463 2.552 -13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.644 3.048 -11.449 1.00 0.00 H new ATOM 657 N VAL A 42 0.486 4.340 -11.886 1.00 0.00 N ATOM 658 CA VAL A 42 1.779 5.013 -11.875 1.00 0.00 C ATOM 659 C VAL A 42 2.189 5.393 -10.457 1.00 0.00 C ATOM 660 O VAL A 42 1.342 5.693 -9.614 1.00 0.00 O ATOM 661 CB VAL A 42 1.758 6.283 -12.748 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.429 7.008 -12.605 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.917 7.198 -12.384 1.00 0.00 C ATOM 0 H VAL A 42 -0.307 4.947 -11.679 1.00 0.00 H new ATOM 0 HA VAL A 42 2.505 4.310 -12.284 1.00 0.00 H new ATOM 0 HB VAL A 42 1.872 5.988 -13.791 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.433 7.902 -13.229 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.380 6.349 -12.920 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.280 7.293 -11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.887 8.090 -13.010 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.837 7.487 -11.336 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.859 6.674 -12.545 1.00 0.00 H new ATOM 673 N ILE A 43 3.492 5.377 -10.200 1.00 0.00 N ATOM 674 CA ILE A 43 4.015 5.721 -8.883 1.00 0.00 C ATOM 675 C ILE A 43 4.329 7.210 -8.787 1.00 0.00 C ATOM 676 O ILE A 43 5.327 7.681 -9.330 1.00 0.00 O ATOM 677 CB ILE A 43 5.289 4.919 -8.556 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.120 3.459 -8.980 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.607 5.011 -7.071 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.128 2.693 -8.132 1.00 0.00 C ATOM 0 H ILE A 43 4.205 5.130 -10.886 1.00 0.00 H new ATOM 0 HA ILE A 43 3.239 5.468 -8.160 1.00 0.00 H new ATOM 0 HB ILE A 43 6.123 5.346 -9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.797 3.427 -10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.088 2.961 -8.931 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.510 4.439 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.764 6.054 -6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.775 4.606 -6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.060 1.666 -8.490 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.460 2.694 -7.094 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.149 3.167 -8.200 1.00 0.00 H new ATOM 692 N SER A 44 3.467 7.947 -8.092 1.00 0.00 N ATOM 693 CA SER A 44 3.650 9.384 -7.928 1.00 0.00 C ATOM 694 C SER A 44 4.642 9.680 -6.807 1.00 0.00 C ATOM 695 O SER A 44 5.492 10.562 -6.932 1.00 0.00 O ATOM 696 CB SER A 44 2.310 10.059 -7.628 1.00 0.00 C ATOM 697 OG SER A 44 1.840 10.780 -8.754 1.00 0.00 O ATOM 0 H SER A 44 2.636 7.572 -7.634 1.00 0.00 H new ATOM 0 HA SER A 44 4.050 9.783 -8.860 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.576 9.306 -7.342 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.421 10.735 -6.780 1.00 0.00 H new ATOM 0 HG SER A 44 1.179 11.443 -8.465 1.00 0.00 H new ATOM 703 N ASN A 45 4.527 8.936 -5.711 1.00 0.00 N ATOM 704 CA ASN A 45 5.414 9.118 -4.568 1.00 0.00 C ATOM 705 C ASN A 45 5.171 8.041 -3.515 1.00 0.00 C ATOM 706 O ASN A 45 4.037 7.819 -3.088 1.00 0.00 O ATOM 707 CB ASN A 45 5.208 10.503 -3.952 1.00 0.00 C ATOM 708 CG ASN A 45 6.310 11.474 -4.333 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.494 11.190 -4.150 1.00 0.00 O ATOM 710 ND2 ASN A 45 5.924 12.628 -4.866 1.00 0.00 N ATOM 0 H ASN A 45 3.829 8.202 -5.591 1.00 0.00 H new ATOM 0 HA ASN A 45 6.442 9.033 -4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.247 10.903 -4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.166 10.413 -2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.620 13.321 -5.142 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.931 12.821 -5.000 1.00 0.00 H new ATOM 717 N HIS A 46 6.244 7.375 -3.099 1.00 0.00 N ATOM 718 CA HIS A 46 6.148 6.322 -2.094 1.00 0.00 C ATOM 719 C HIS A 46 6.881 6.721 -0.818 1.00 0.00 C ATOM 720 O HIS A 46 7.802 7.537 -0.847 1.00 0.00 O ATOM 721 CB HIS A 46 6.724 5.015 -2.640 1.00 0.00 C ATOM 722 CG HIS A 46 8.219 4.941 -2.565 1.00 0.00 C ATOM 723 ND1 HIS A 46 9.050 5.745 -3.316 1.00 0.00 N ATOM 724 CD2 HIS A 46 9.030 4.154 -1.820 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.308 5.454 -3.037 1.00 0.00 C ATOM 726 NE2 HIS A 46 10.323 4.493 -2.132 1.00 0.00 N ATOM 0 H HIS A 46 7.189 7.546 -3.442 1.00 0.00 H new ATOM 0 HA HIS A 46 5.095 6.175 -1.855 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.299 4.180 -2.084 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.414 4.897 -3.678 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.742 6.453 -3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.718 3.400 -1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.177 5.923 -3.475 1.00 0.00 H new ATOM 734 N LEU A 47 6.465 6.141 0.303 1.00 0.00 N ATOM 735 CA LEU A 47 7.081 6.436 1.592 1.00 0.00 C ATOM 736 C LEU A 47 7.244 5.166 2.421 1.00 0.00 C ATOM 737 O LEU A 47 6.277 4.443 2.663 1.00 0.00 O ATOM 738 CB LEU A 47 6.239 7.455 2.360 1.00 0.00 C ATOM 739 CG LEU A 47 6.732 7.814 3.762 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.057 9.083 4.258 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.481 6.663 4.726 1.00 0.00 C ATOM 0 H LEU A 47 5.704 5.464 0.345 1.00 0.00 H new ATOM 0 HA LEU A 47 8.070 6.856 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.185 8.370 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.223 7.069 2.442 1.00 0.00 H new ATOM 0 HG LEU A 47 7.806 7.994 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.421 9.322 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.287 9.906 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.978 8.932 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.838 6.936 5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.413 6.452 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.012 5.776 4.380 1.00 0.00 H new ATOM 753 N ILE A 48 8.472 4.903 2.855 1.00 0.00 N ATOM 754 CA ILE A 48 8.760 3.722 3.660 1.00 0.00 C ATOM 755 C ILE A 48 9.575 4.086 4.897 1.00 0.00 C ATOM 756 O ILE A 48 10.789 4.281 4.819 1.00 0.00 O ATOM 757 CB ILE A 48 9.526 2.661 2.848 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.048 2.655 1.396 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.349 1.286 3.475 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.420 1.398 0.641 1.00 0.00 C ATOM 0 H ILE A 48 9.283 5.491 2.663 1.00 0.00 H new ATOM 0 HA ILE A 48 7.800 3.308 3.969 1.00 0.00 H new ATOM 0 HB ILE A 48 10.587 2.911 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.964 2.772 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.470 3.517 0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.896 0.546 2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.734 1.299 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.290 1.026 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.048 1.464 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.505 1.290 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.975 0.533 1.133 1.00 0.00 H new ATOM 772 N LEU A 49 8.901 4.175 6.038 1.00 0.00 N ATOM 773 CA LEU A 49 9.561 4.513 7.293 1.00 0.00 C ATOM 774 C LEU A 49 10.608 3.464 7.658 1.00 0.00 C ATOM 775 O LEU A 49 10.438 2.279 7.374 1.00 0.00 O ATOM 776 CB LEU A 49 8.532 4.635 8.418 1.00 0.00 C ATOM 777 CG LEU A 49 7.293 5.473 8.105 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.222 5.260 9.164 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.657 6.948 8.002 1.00 0.00 C ATOM 0 H LEU A 49 7.897 4.018 6.120 1.00 0.00 H new ATOM 0 HA LEU A 49 10.063 5.472 7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.207 3.633 8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.026 5.064 9.290 1.00 0.00 H new ATOM 0 HG LEU A 49 6.894 5.150 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.348 5.865 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.939 4.208 9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.611 5.555 10.139 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.762 7.529 7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.082 7.285 8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.388 7.088 7.206 1.00 0.00 H new ATOM 791 N ASN A 50 11.689 3.909 8.291 1.00 0.00 N ATOM 792 CA ASN A 50 12.762 3.009 8.697 1.00 0.00 C ATOM 793 C ASN A 50 12.686 2.708 10.190 1.00 0.00 C ATOM 794 O ASN A 50 13.695 2.407 10.827 1.00 0.00 O ATOM 795 CB ASN A 50 14.124 3.618 8.356 1.00 0.00 C ATOM 796 CG ASN A 50 14.299 3.845 6.867 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.410 4.373 6.199 1.00 0.00 O ATOM 798 ND2 ASN A 50 15.451 3.447 6.340 1.00 0.00 N ATOM 0 H ASN A 50 11.845 4.887 8.534 1.00 0.00 H new ATOM 0 HA ASN A 50 12.643 2.074 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.237 4.567 8.881 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.914 2.959 8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.627 3.574 5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.160 3.014 6.932 1.00 0.00 H new ATOM 805 N LYS A 51 11.481 2.793 10.744 1.00 0.00 N ATOM 806 CA LYS A 51 11.270 2.530 12.163 1.00 0.00 C ATOM 807 C LYS A 51 10.412 1.285 12.363 1.00 0.00 C ATOM 808 O LYS A 51 10.688 0.463 13.237 1.00 0.00 O ATOM 809 CB LYS A 51 10.605 3.734 12.833 1.00 0.00 C ATOM 810 CG LYS A 51 11.573 4.609 13.610 1.00 0.00 C ATOM 811 CD LYS A 51 10.890 5.292 14.783 1.00 0.00 C ATOM 812 CE LYS A 51 11.240 6.770 14.848 1.00 0.00 C ATOM 813 NZ LYS A 51 10.045 7.612 15.136 1.00 0.00 N ATOM 0 H LYS A 51 10.635 3.042 10.231 1.00 0.00 H new ATOM 0 HA LYS A 51 12.243 2.358 12.624 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.114 4.338 12.070 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.827 3.379 13.508 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.402 4.002 13.974 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.997 5.362 12.946 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.810 5.176 14.694 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.187 4.805 15.712 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.992 6.931 15.620 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.683 7.080 13.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.326 8.613 15.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.337 7.478 14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.637 7.334 16.051 1.00 0.00 H new ATOM 827 N ILE A 52 9.371 1.153 11.548 1.00 0.00 N ATOM 828 CA ILE A 52 8.475 0.006 11.634 1.00 0.00 C ATOM 829 C ILE A 52 8.124 -0.524 10.248 1.00 0.00 C ATOM 830 O ILE A 52 8.662 -0.064 9.243 1.00 0.00 O ATOM 831 CB ILE A 52 7.174 0.364 12.378 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.233 1.144 11.460 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.485 1.166 13.633 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.818 2.448 10.962 1.00 0.00 C ATOM 0 H ILE A 52 9.127 1.826 10.821 1.00 0.00 H new ATOM 0 HA ILE A 52 9.004 -0.766 12.192 1.00 0.00 H new ATOM 0 HB ILE A 52 6.677 -0.560 12.675 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.974 0.521 10.604 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.306 1.352 11.995 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.556 1.411 14.148 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.121 0.576 14.293 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.001 2.086 13.358 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.096 2.948 10.316 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.051 3.090 11.811 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.729 2.246 10.399 1.00 0.00 H new ATOM 846 N ASN A 53 7.217 -1.496 10.204 1.00 0.00 N ATOM 847 CA ASN A 53 6.794 -2.088 8.941 1.00 0.00 C ATOM 848 C ASN A 53 5.579 -1.357 8.378 1.00 0.00 C ATOM 849 O ASN A 53 4.576 -1.978 8.028 1.00 0.00 O ATOM 850 CB ASN A 53 6.467 -3.570 9.133 1.00 0.00 C ATOM 851 CG ASN A 53 7.635 -4.349 9.708 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.794 -4.060 9.412 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.332 -5.344 10.534 1.00 0.00 N ATOM 0 H ASN A 53 6.762 -1.889 11.028 1.00 0.00 H new ATOM 0 HA ASN A 53 7.615 -1.993 8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.607 -3.667 9.796 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.181 -4.004 8.175 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.075 -5.904 10.951 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.356 -5.548 10.751 1.00 0.00 H new ATOM 860 N GLU A 54 5.678 -0.034 8.292 1.00 0.00 N ATOM 861 CA GLU A 54 4.586 0.780 7.771 1.00 0.00 C ATOM 862 C GLU A 54 5.038 1.582 6.555 1.00 0.00 C ATOM 863 O GLU A 54 6.049 2.283 6.601 1.00 0.00 O ATOM 864 CB GLU A 54 4.065 1.727 8.854 1.00 0.00 C ATOM 865 CG GLU A 54 3.223 1.035 9.914 1.00 0.00 C ATOM 866 CD GLU A 54 2.098 1.910 10.430 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.315 3.132 10.574 1.00 0.00 O ATOM 868 OE2 GLU A 54 1.001 1.375 10.688 1.00 0.00 O ATOM 0 H GLU A 54 6.502 0.496 8.576 1.00 0.00 H new ATOM 0 HA GLU A 54 3.782 0.111 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.912 2.215 9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.471 2.511 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.804 0.119 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.863 0.744 10.747 1.00 0.00 H new ATOM 875 N ALA A 55 4.283 1.473 5.467 1.00 0.00 N ATOM 876 CA ALA A 55 4.605 2.188 4.237 1.00 0.00 C ATOM 877 C ALA A 55 3.343 2.711 3.560 1.00 0.00 C ATOM 878 O ALA A 55 2.270 2.120 3.684 1.00 0.00 O ATOM 879 CB ALA A 55 5.381 1.287 3.289 1.00 0.00 C ATOM 0 H ALA A 55 3.444 0.896 5.412 1.00 0.00 H new ATOM 0 HA ALA A 55 5.228 3.044 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.614 1.834 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.307 0.968 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.779 0.412 3.044 1.00 0.00 H new ATOM 885 N PHE A 56 3.478 3.822 2.843 1.00 0.00 N ATOM 886 CA PHE A 56 2.348 4.424 2.147 1.00 0.00 C ATOM 887 C PHE A 56 2.748 4.868 0.743 1.00 0.00 C ATOM 888 O PHE A 56 3.688 5.643 0.569 1.00 0.00 O ATOM 889 CB PHE A 56 1.812 5.619 2.938 1.00 0.00 C ATOM 890 CG PHE A 56 1.649 5.342 4.405 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.476 4.786 4.892 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.667 5.637 5.297 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.322 4.529 6.241 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.518 5.383 6.648 1.00 0.00 C ATOM 895 CZ PHE A 56 1.345 4.829 7.120 1.00 0.00 C ATOM 0 H PHE A 56 4.359 4.323 2.729 1.00 0.00 H new ATOM 0 HA PHE A 56 1.564 3.672 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.489 6.463 2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.849 5.917 2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.327 4.551 4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.587 6.070 4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.596 4.094 6.608 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.319 5.618 7.334 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.227 4.630 8.175 1.00 0.00 H new ATOM 905 N ILE A 57 2.026 4.370 -0.256 1.00 0.00 N ATOM 906 CA ILE A 57 2.305 4.715 -1.645 1.00 0.00 C ATOM 907 C ILE A 57 1.214 5.614 -2.218 1.00 0.00 C ATOM 908 O ILE A 57 0.027 5.389 -1.985 1.00 0.00 O ATOM 909 CB ILE A 57 2.431 3.456 -2.523 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.689 2.669 -2.147 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.460 3.838 -3.995 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.657 1.227 -2.601 1.00 0.00 C ATOM 0 H ILE A 57 1.244 3.727 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 57 3.255 5.250 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 57 1.562 2.821 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.559 3.160 -2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.816 2.698 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.549 2.938 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.539 4.360 -4.254 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.313 4.490 -4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.580 0.730 -2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.807 0.720 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.561 1.189 -3.686 1.00 0.00 H new ATOM 924 N GLU A 58 1.626 6.629 -2.970 1.00 0.00 N ATOM 925 CA GLU A 58 0.683 7.561 -3.577 1.00 0.00 C ATOM 926 C GLU A 58 0.596 7.342 -5.085 1.00 0.00 C ATOM 927 O GLU A 58 1.611 7.336 -5.781 1.00 0.00 O ATOM 928 CB GLU A 58 1.096 9.005 -3.283 1.00 0.00 C ATOM 929 CG GLU A 58 0.029 10.027 -3.636 1.00 0.00 C ATOM 930 CD GLU A 58 -0.240 11.002 -2.507 1.00 0.00 C ATOM 931 OE1 GLU A 58 -0.476 10.544 -1.369 1.00 0.00 O ATOM 932 OE2 GLU A 58 -0.215 12.225 -2.761 1.00 0.00 O ATOM 0 H GLU A 58 2.606 6.827 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.300 7.377 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.338 9.096 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.005 9.234 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.340 10.580 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.895 9.509 -3.891 1.00 0.00 H new ATOM 939 N MET A 59 -0.623 7.163 -5.582 1.00 0.00 N ATOM 940 CA MET A 59 -0.842 6.945 -7.007 1.00 0.00 C ATOM 941 C MET A 59 -1.239 8.243 -7.701 1.00 0.00 C ATOM 942 O MET A 59 -1.921 9.087 -7.120 1.00 0.00 O ATOM 943 CB MET A 59 -1.926 5.886 -7.221 1.00 0.00 C ATOM 944 CG MET A 59 -1.609 4.550 -6.570 1.00 0.00 C ATOM 945 SD MET A 59 -0.059 3.841 -7.159 1.00 0.00 S ATOM 946 CE MET A 59 -0.622 2.954 -8.610 1.00 0.00 C ATOM 0 H MET A 59 -1.474 7.165 -5.020 1.00 0.00 H new ATOM 0 HA MET A 59 0.092 6.592 -7.443 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.870 6.259 -6.824 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.068 5.735 -8.291 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.557 4.680 -5.489 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.422 3.852 -6.768 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.193 2.347 -9.004 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.458 2.308 -8.340 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.944 3.666 -9.370 1.00 0.00 H new ATOM 956 N ALA A 60 -0.806 8.398 -8.949 1.00 0.00 N ATOM 957 CA ALA A 60 -1.117 9.593 -9.723 1.00 0.00 C ATOM 958 C ALA A 60 -2.623 9.747 -9.914 1.00 0.00 C ATOM 959 O ALA A 60 -3.123 10.852 -10.124 1.00 0.00 O ATOM 960 CB ALA A 60 -0.415 9.547 -11.072 1.00 0.00 C ATOM 0 H ALA A 60 -0.239 7.710 -9.445 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.756 10.459 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.657 10.446 -11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.663 9.493 -10.920 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.748 8.669 -11.625 1.00 0.00 H new ATOM 966 N THR A 61 -3.341 8.631 -9.839 1.00 0.00 N ATOM 967 CA THR A 61 -4.789 8.641 -10.005 1.00 0.00 C ATOM 968 C THR A 61 -5.460 7.666 -9.044 1.00 0.00 C ATOM 969 O THR A 61 -5.186 6.466 -9.068 1.00 0.00 O ATOM 970 CB THR A 61 -5.192 8.281 -11.448 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.735 6.963 -11.770 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.610 9.281 -12.437 1.00 0.00 C ATOM 0 H THR A 61 -2.943 7.708 -9.664 1.00 0.00 H new ATOM 0 HA THR A 61 -5.125 9.654 -9.784 1.00 0.00 H new ATOM 0 HB THR A 61 -6.279 8.315 -11.518 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.839 6.827 -11.397 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.907 9.007 -13.449 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.983 10.279 -12.207 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.522 9.274 -12.364 1.00 0.00 H new ATOM 980 N THR A 62 -6.343 8.189 -8.198 1.00 0.00 N ATOM 981 CA THR A 62 -7.052 7.365 -7.229 1.00 0.00 C ATOM 982 C THR A 62 -7.545 6.070 -7.865 1.00 0.00 C ATOM 983 O THR A 62 -7.741 5.066 -7.179 1.00 0.00 O ATOM 984 CB THR A 62 -8.254 8.117 -6.625 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.190 7.183 -6.075 1.00 0.00 O ATOM 986 CG2 THR A 62 -8.942 8.970 -7.679 1.00 0.00 C ATOM 0 H THR A 62 -6.583 9.180 -8.165 1.00 0.00 H new ATOM 0 HA THR A 62 -6.343 7.130 -6.435 1.00 0.00 H new ATOM 0 HB THR A 62 -7.886 8.770 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.904 6.926 -5.173 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.787 9.492 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.235 9.699 -8.076 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.298 8.332 -8.488 1.00 0.00 H new ATOM 994 N GLU A 63 -7.744 6.098 -9.179 1.00 0.00 N ATOM 995 CA GLU A 63 -8.213 4.925 -9.906 1.00 0.00 C ATOM 996 C GLU A 63 -7.285 3.735 -9.678 1.00 0.00 C ATOM 997 O GLU A 63 -7.740 2.606 -9.495 1.00 0.00 O ATOM 998 CB GLU A 63 -8.312 5.230 -11.402 1.00 0.00 C ATOM 999 CG GLU A 63 -9.333 6.303 -11.739 1.00 0.00 C ATOM 1000 CD GLU A 63 -9.393 6.608 -13.223 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -9.064 5.711 -14.027 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -9.767 7.744 -13.580 1.00 0.00 O ATOM 0 H GLU A 63 -7.588 6.921 -9.762 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.203 4.668 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.334 5.545 -11.765 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.571 4.315 -11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.317 5.982 -11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.089 7.215 -11.194 1.00 0.00 H new ATOM 1009 N ASP A 64 -5.984 3.998 -9.691 1.00 0.00 N ATOM 1010 CA ASP A 64 -4.990 2.950 -9.485 1.00 0.00 C ATOM 1011 C ASP A 64 -5.018 2.451 -8.044 1.00 0.00 C ATOM 1012 O ASP A 64 -5.268 1.273 -7.790 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.593 3.467 -9.832 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.580 4.291 -11.105 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.470 4.081 -11.956 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.681 5.145 -11.250 1.00 0.00 O ATOM 0 H ASP A 64 -5.592 4.927 -9.842 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.234 2.117 -10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.218 4.072 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.913 2.622 -9.943 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.757 3.354 -7.105 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.754 3.005 -5.689 1.00 0.00 C ATOM 1023 C ALA A 65 -5.984 2.182 -5.324 1.00 0.00 C ATOM 1024 O ALA A 65 -5.868 1.081 -4.788 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.684 4.263 -4.837 1.00 0.00 C ATOM 0 H ALA A 65 -4.545 4.333 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.872 2.396 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.682 3.988 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.771 4.810 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.548 4.893 -5.047 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.162 2.726 -5.614 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.413 2.042 -5.313 1.00 0.00 C ATOM 1033 C GLN A 66 -8.409 0.627 -5.881 1.00 0.00 C ATOM 1034 O GLN A 66 -8.901 -0.307 -5.247 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.597 2.828 -5.880 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.908 4.100 -5.107 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.309 4.615 -5.369 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.240 3.835 -5.574 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.467 5.933 -5.363 1.00 0.00 N ATOM 0 H GLN A 66 -7.275 3.638 -6.057 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.513 1.979 -4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.388 3.085 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.480 2.189 -5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.788 3.911 -4.040 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.186 4.870 -5.377 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.667 6.542 -5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.388 6.337 -5.533 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.853 0.475 -7.078 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.785 -0.827 -7.729 1.00 0.00 C ATOM 1050 C ALA A 67 -6.828 -1.760 -6.993 1.00 0.00 C ATOM 1051 O ALA A 67 -7.163 -2.910 -6.711 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.357 -0.668 -9.181 1.00 0.00 C ATOM 0 H ALA A 67 -7.443 1.238 -7.617 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.779 -1.273 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.310 -1.648 -9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.080 -0.044 -9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.374 -0.198 -9.221 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.638 -1.255 -6.686 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.634 -2.044 -5.981 1.00 0.00 C ATOM 1060 C ALA A 68 -5.224 -2.697 -4.735 1.00 0.00 C ATOM 1061 O ALA A 68 -4.784 -3.768 -4.316 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.444 -1.172 -5.608 1.00 0.00 C ATOM 0 H ALA A 68 -5.345 -0.305 -6.914 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.296 -2.836 -6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.703 -1.774 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.999 -0.757 -6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.776 -0.360 -4.961 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.222 -2.045 -4.148 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.872 -2.562 -2.950 1.00 0.00 C ATOM 1070 C VAL A 69 -7.797 -3.727 -3.287 1.00 0.00 C ATOM 1071 O VAL A 69 -7.765 -4.768 -2.632 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.684 -1.467 -2.234 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.479 -2.059 -1.080 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.765 -0.357 -1.746 1.00 0.00 C ATOM 0 H VAL A 69 -6.598 -1.158 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.081 -2.909 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.389 -1.038 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.046 -1.270 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.165 -2.815 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.796 -2.517 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.355 0.409 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.035 -0.769 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.246 0.086 -2.596 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.622 -3.542 -4.312 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.556 -4.578 -4.738 1.00 0.00 C ATOM 1086 C ASP A 70 -8.816 -5.859 -5.111 1.00 0.00 C ATOM 1087 O ASP A 70 -9.414 -6.929 -5.204 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.386 -4.089 -5.926 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.875 -4.271 -5.706 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.354 -5.418 -5.813 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.560 -3.263 -5.430 1.00 0.00 O ATOM 0 H ASP A 70 -8.663 -2.685 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.223 -4.796 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.174 -3.035 -6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.085 -4.630 -6.823 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.510 -5.739 -5.324 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.688 -6.886 -5.691 1.00 0.00 C ATOM 1098 C TYR A 71 -6.257 -7.666 -4.452 1.00 0.00 C ATOM 1099 O TYR A 71 -5.883 -8.835 -4.539 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.455 -6.428 -6.473 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.347 -7.456 -6.513 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -3.392 -7.517 -5.506 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -4.254 -8.365 -7.559 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -2.377 -8.454 -5.539 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -3.245 -9.306 -7.601 1.00 0.00 C ATOM 1106 CZ TYR A 71 -2.308 -9.347 -6.589 1.00 0.00 C ATOM 1107 OH TYR A 71 -1.300 -10.282 -6.626 1.00 0.00 O ATOM 0 H TYR A 71 -6.998 -4.860 -5.249 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.287 -7.543 -6.322 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.752 -6.186 -7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.072 -5.510 -6.026 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.444 -6.820 -4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.984 -8.335 -8.354 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.642 -8.487 -4.748 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.189 -10.006 -8.421 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.395 -10.834 -7.430 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.313 -7.009 -3.299 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.929 -7.638 -2.042 1.00 0.00 C ATOM 1119 C TYR A 72 -7.106 -8.385 -1.423 1.00 0.00 C ATOM 1120 O TYR A 72 -6.925 -9.360 -0.692 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.402 -6.588 -1.061 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.677 -6.922 0.388 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.807 -7.731 1.111 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.804 -6.430 1.034 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.054 -8.040 2.434 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.057 -6.732 2.358 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.179 -7.537 3.054 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.429 -7.842 4.373 1.00 0.00 O ATOM 0 H TYR A 72 -6.621 -6.041 -3.209 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.138 -8.357 -2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.327 -6.478 -1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.854 -5.624 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.924 -8.124 0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.494 -5.801 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.370 -8.672 2.981 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.937 -6.340 2.846 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.260 -7.408 4.657 1.00 0.00 H new ATOM 1138 N THR A 73 -8.315 -7.919 -1.720 1.00 0.00 N ATOM 1139 CA THR A 73 -9.524 -8.540 -1.193 1.00 0.00 C ATOM 1140 C THR A 73 -9.897 -9.783 -1.994 1.00 0.00 C ATOM 1141 O THR A 73 -10.425 -10.752 -1.446 1.00 0.00 O ATOM 1142 CB THR A 73 -10.712 -7.558 -1.207 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.761 -8.048 -0.364 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.239 -7.366 -2.622 1.00 0.00 C ATOM 0 H THR A 73 -8.483 -7.114 -2.323 1.00 0.00 H new ATOM 0 HA THR A 73 -9.310 -8.825 -0.163 1.00 0.00 H new ATOM 0 HB THR A 73 -10.364 -6.595 -0.832 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.512 -7.418 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.077 -6.669 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.446 -6.967 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.572 -8.325 -3.020 1.00 0.00 H new ATOM 1152 N THR A 74 -9.619 -9.749 -3.293 1.00 0.00 N ATOM 1153 CA THR A 74 -9.925 -10.873 -4.170 1.00 0.00 C ATOM 1154 C THR A 74 -8.743 -11.830 -4.271 1.00 0.00 C ATOM 1155 O THR A 74 -8.900 -12.989 -4.655 1.00 0.00 O ATOM 1156 CB THR A 74 -10.307 -10.395 -5.583 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.267 -9.569 -6.118 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.615 -9.621 -5.558 1.00 0.00 C ATOM 0 H THR A 74 -9.182 -8.955 -3.762 1.00 0.00 H new ATOM 0 HA THR A 74 -10.774 -11.395 -3.729 1.00 0.00 H new ATOM 0 HB THR A 74 -10.436 -11.272 -6.217 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.362 -8.657 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.864 -9.294 -6.568 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.410 -10.263 -5.178 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.510 -8.751 -4.910 1.00 0.00 H new ATOM 1166 N THR A 75 -7.558 -11.338 -3.923 1.00 0.00 N ATOM 1167 CA THR A 75 -6.348 -12.149 -3.975 1.00 0.00 C ATOM 1168 C THR A 75 -5.397 -11.792 -2.838 1.00 0.00 C ATOM 1169 O THR A 75 -5.201 -10.624 -2.505 1.00 0.00 O ATOM 1170 CB THR A 75 -5.613 -11.977 -5.317 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.463 -12.382 -6.397 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.330 -12.794 -5.341 1.00 0.00 C ATOM 0 H THR A 75 -7.411 -10.381 -3.602 1.00 0.00 H new ATOM 0 HA THR A 75 -6.660 -13.188 -3.871 1.00 0.00 H new ATOM 0 HB THR A 75 -5.356 -10.924 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.989 -12.268 -7.247 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.829 -12.656 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.673 -12.463 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.568 -13.849 -5.204 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.791 -12.821 -2.228 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.848 -12.640 -1.120 1.00 0.00 C ATOM 1182 C PRO A 76 -2.537 -12.007 -1.572 1.00 0.00 C ATOM 1183 O PRO A 76 -1.878 -12.505 -2.485 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.608 -14.067 -0.621 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.888 -14.933 -1.801 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.976 -14.241 -2.574 1.00 0.00 C ATOM 0 HA PRO A 76 -4.240 -11.967 -0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.585 -14.196 -0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.265 -14.310 0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.995 -15.060 -2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.204 -15.928 -1.488 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.876 -14.409 -3.646 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.964 -14.599 -2.285 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.163 -10.907 -0.926 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.929 -10.207 -1.261 1.00 0.00 C ATOM 1196 C ALA A 77 0.231 -10.698 -0.400 1.00 0.00 C ATOM 1197 O ALA A 77 0.426 -10.229 0.723 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.111 -8.706 -1.097 1.00 0.00 C ATOM 0 H ALA A 77 -2.697 -10.482 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.691 -10.421 -2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.181 -8.197 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.906 -8.361 -1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.377 -8.482 -0.064 1.00 0.00 H new ATOM 1204 N LEU A 78 0.997 -11.644 -0.931 1.00 0.00 N ATOM 1205 CA LEU A 78 2.137 -12.200 -0.211 1.00 0.00 C ATOM 1206 C LEU A 78 3.417 -11.441 -0.549 1.00 0.00 C ATOM 1207 O LEU A 78 3.936 -11.543 -1.661 1.00 0.00 O ATOM 1208 CB LEU A 78 2.306 -13.682 -0.547 1.00 0.00 C ATOM 1209 CG LEU A 78 1.142 -14.595 -0.158 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.457 -16.041 -0.509 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.831 -14.460 1.325 1.00 0.00 C ATOM 0 H LEU A 78 0.849 -12.042 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 78 1.945 -12.096 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.471 -13.774 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.207 -14.045 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 78 0.261 -14.289 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.617 -16.676 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.629 -16.126 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.350 -16.359 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.000 -15.117 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.709 -14.739 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.560 -13.428 1.548 1.00 0.00 H new ATOM 1223 N VAL A 79 3.922 -10.681 0.418 1.00 0.00 N ATOM 1224 CA VAL A 79 5.144 -9.908 0.223 1.00 0.00 C ATOM 1225 C VAL A 79 6.364 -10.676 0.716 1.00 0.00 C ATOM 1226 O VAL A 79 6.442 -11.056 1.885 1.00 0.00 O ATOM 1227 CB VAL A 79 5.072 -8.554 0.954 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.352 -7.761 0.735 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.859 -7.763 0.491 1.00 0.00 C ATOM 0 H VAL A 79 3.504 -10.584 1.344 1.00 0.00 H new ATOM 0 HA VAL A 79 5.240 -9.730 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 79 4.968 -8.742 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.283 -6.807 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.201 -8.326 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.490 -7.580 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.824 -6.809 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.930 -7.583 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.952 -8.329 0.705 1.00 0.00 H new ATOM 1239 N PHE A 80 7.318 -10.901 -0.182 1.00 0.00 N ATOM 1240 CA PHE A 80 8.536 -11.624 0.161 1.00 0.00 C ATOM 1241 C PHE A 80 8.228 -13.080 0.498 1.00 0.00 C ATOM 1242 O PHE A 80 9.112 -13.838 0.896 1.00 0.00 O ATOM 1243 CB PHE A 80 9.237 -10.953 1.344 1.00 0.00 C ATOM 1244 CG PHE A 80 10.382 -10.070 0.939 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.357 -10.531 0.069 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.484 -8.778 1.429 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.412 -9.721 -0.306 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.537 -7.963 1.058 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.502 -8.435 0.191 1.00 0.00 C ATOM 0 H PHE A 80 7.270 -10.593 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 80 9.197 -11.602 -0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.510 -10.360 1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.604 -11.723 2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.292 -11.536 -0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.732 -8.404 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.164 -10.092 -0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.605 -6.957 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.326 -7.800 -0.098 1.00 0.00 H new ATOM 1259 N GLY A 81 6.966 -13.466 0.335 1.00 0.00 N ATOM 1260 CA GLY A 81 6.562 -14.829 0.626 1.00 0.00 C ATOM 1261 C GLY A 81 5.555 -14.905 1.757 1.00 0.00 C ATOM 1262 O GLY A 81 4.884 -15.923 1.932 1.00 0.00 O ATOM 0 H GLY A 81 6.216 -12.858 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.132 -15.277 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.442 -15.418 0.886 1.00 0.00 H new ATOM 1266 N LYS A 82 5.450 -13.828 2.528 1.00 0.00 N ATOM 1267 CA LYS A 82 4.518 -13.778 3.648 1.00 0.00 C ATOM 1268 C LYS A 82 3.358 -12.832 3.349 1.00 0.00 C ATOM 1269 O LYS A 82 3.496 -11.858 2.609 1.00 0.00 O ATOM 1270 CB LYS A 82 5.241 -13.328 4.920 1.00 0.00 C ATOM 1271 CG LYS A 82 6.102 -12.092 4.725 1.00 0.00 C ATOM 1272 CD LYS A 82 7.540 -12.460 4.397 1.00 0.00 C ATOM 1273 CE LYS A 82 8.487 -11.299 4.659 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.906 -11.745 4.719 1.00 0.00 N ATOM 0 H LYS A 82 5.999 -12.978 2.398 1.00 0.00 H new ATOM 0 HA LYS A 82 4.117 -14.780 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.502 -13.127 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.868 -14.144 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.689 -11.483 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.078 -11.484 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.842 -13.319 4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.610 -12.759 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.374 -10.553 3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.218 -10.816 5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.533 -10.934 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.107 -12.139 5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.071 -12.474 3.996 1.00 0.00 H new ATOM 1288 N PRO A 83 2.190 -13.122 3.938 1.00 0.00 N ATOM 1289 CA PRO A 83 0.985 -12.308 3.751 1.00 0.00 C ATOM 1290 C PRO A 83 1.096 -10.944 4.423 1.00 0.00 C ATOM 1291 O PRO A 83 1.788 -10.792 5.431 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.114 -13.143 4.414 1.00 0.00 C ATOM 1293 CG PRO A 83 0.600 -13.978 5.421 1.00 0.00 C ATOM 1294 CD PRO A 83 1.954 -14.267 4.833 1.00 0.00 C ATOM 0 HA PRO A 83 0.799 -12.092 2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.863 -12.508 4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.635 -13.762 3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.691 -13.451 6.371 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.055 -14.901 5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.720 -14.338 5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.962 -15.211 4.288 1.00 0.00 H new ATOM 1302 N VAL A 84 0.411 -9.954 3.860 1.00 0.00 N ATOM 1303 CA VAL A 84 0.432 -8.603 4.406 1.00 0.00 C ATOM 1304 C VAL A 84 -0.952 -7.966 4.352 1.00 0.00 C ATOM 1305 O VAL A 84 -1.929 -8.613 3.975 1.00 0.00 O ATOM 1306 CB VAL A 84 1.427 -7.705 3.645 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.808 -8.342 3.620 1.00 0.00 C ATOM 1308 CG2 VAL A 84 0.930 -7.437 2.233 1.00 0.00 C ATOM 0 H VAL A 84 -0.166 -10.063 3.026 1.00 0.00 H new ATOM 0 HA VAL A 84 0.750 -8.687 5.445 1.00 0.00 H new ATOM 0 HB VAL A 84 1.502 -6.751 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.498 -7.694 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.164 -8.479 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.753 -9.310 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.645 -6.801 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.825 -8.381 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.037 -6.936 2.277 1.00 0.00 H new ATOM 1318 N ARG A 85 -1.028 -6.695 4.731 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.294 -5.971 4.726 1.00 0.00 C ATOM 1320 C ARG A 85 -2.256 -4.816 3.730 1.00 0.00 C ATOM 1321 O ARG A 85 -1.263 -4.095 3.637 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.607 -5.441 6.127 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.598 -6.300 6.896 1.00 0.00 C ATOM 1324 CD ARG A 85 -4.835 -5.507 7.287 1.00 0.00 C ATOM 1325 NE ARG A 85 -5.924 -6.374 7.729 1.00 0.00 N ATOM 1326 CZ ARG A 85 -6.034 -6.844 8.967 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -5.126 -6.530 9.881 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -7.053 -7.628 9.293 1.00 0.00 N ATOM 0 H ARG A 85 -0.229 -6.145 5.045 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.079 -6.663 4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.680 -5.373 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.004 -4.429 6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.890 -7.155 6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -3.120 -6.696 7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.581 -4.809 8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.168 -4.912 6.437 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.640 -6.633 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.341 -5.927 9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.212 -6.892 10.831 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.754 -7.871 8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.136 -7.988 10.244 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.345 -4.646 2.987 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.436 -3.579 1.999 1.00 0.00 C ATOM 1344 C VAL A 86 -4.713 -2.766 2.183 1.00 0.00 C ATOM 1345 O VAL A 86 -5.819 -3.296 2.073 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.400 -4.138 0.563 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.578 -3.020 -0.451 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -2.100 -4.890 0.318 1.00 0.00 C ATOM 0 H VAL A 86 -4.176 -5.234 3.051 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.572 -2.933 2.152 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.227 -4.838 0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.550 -3.435 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.538 -2.530 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.774 -2.293 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.091 -5.278 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.257 -4.213 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.020 -5.718 1.023 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.552 -1.477 2.464 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.693 -0.590 2.662 1.00 0.00 C ATOM 1360 C HIS A 87 -5.541 0.684 1.836 1.00 0.00 C ATOM 1361 O HIS A 87 -4.460 0.980 1.326 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.840 -0.238 4.142 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.166 -1.415 5.009 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -6.842 -2.555 4.735 1.00 0.00 N flip ATOM 1365 CD2 HIS A 87 -5.787 -1.504 6.332 1.00 0.00 C flip ATOM 1366 CE1 HIS A 87 -6.858 -3.305 5.885 1.00 0.00 C flip ATOM 1367 NE2 HIS A 87 -6.214 -2.648 6.834 1.00 0.00 N flip ATOM 0 H HIS A 87 -3.643 -1.024 2.560 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.590 -1.112 2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.913 0.215 4.493 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.623 0.512 4.252 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.261 -2.810 3.841 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.228 -0.755 6.873 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.321 -4.274 5.996 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.630 1.433 1.708 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.618 2.675 0.944 1.00 0.00 C ATOM 1377 C LEU A 88 -6.725 3.885 1.867 1.00 0.00 C ATOM 1378 O LEU A 88 -7.810 4.426 2.075 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.768 2.688 -0.065 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.469 3.337 -1.417 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.394 4.849 -1.278 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.174 2.788 -1.997 1.00 0.00 C ATOM 0 H LEU A 88 -7.533 1.202 2.123 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.671 2.732 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.082 1.659 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.614 3.207 0.385 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.282 3.096 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.180 5.294 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.346 5.228 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.601 5.111 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.977 3.261 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.351 2.999 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.265 1.710 -2.134 1.00 0.00 H new