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 74 THR OG1 : rot -83: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 111:sc= 0.782 USER MOD Set 2.2: A 66 GLN : amide:sc= 1.13 K(o=1.9,f=-0.47) USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 35 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.29) USER MOD Set 4.1: A 19 HIS :FLIP no HE2:sc= -8.54! C(o=-13!,f=-10!) USER MOD Set 4.2: A 21 MET CE :methyl -133:sc= -1.7 (180deg=-1.73) USER MOD Set 4.3: A 87 HIS :FLIP no HE2:sc= -0.0112 F(o=-11,f=-10) USER MOD Single : A 24 GLN : amide:sc= -1.77! C(o=-1.8!,f=-2.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0598 K(o=-0.06,f=-3.1!) USER MOD Single : A 32 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.7!) USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.812 X(o=-0.81,f=-0.59) USER MOD Single : A 46 HIS : no HE2:sc= -2.61 K(o=-2.6,f=-6.7!) USER MOD Single : A 50 ASN : amide:sc= -0.531 K(o=-0.53,f=-3.6!) 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=-2.2) USER MOD Single : A 59 MET CE :methyl -179:sc= -1.11 (180deg=-1.11) USER MOD Single : A 61 THR OG1 : rot -40:sc= 0.592 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 82 LYS NZ :NH3+ 137:sc= -2.35! (180deg=-5.76!) USER MOD ----------------------------------------------------------------- ATOM 205 N ARG A 16 -4.716 9.916 -3.252 1.00 0.00 N ATOM 206 CA ARG A 16 -4.386 8.507 -3.427 1.00 0.00 C ATOM 207 C ARG A 16 -3.267 8.088 -2.476 1.00 0.00 C ATOM 208 O ARG A 16 -2.104 8.439 -2.678 1.00 0.00 O ATOM 209 CB ARG A 16 -3.969 8.235 -4.874 1.00 0.00 C ATOM 210 CG ARG A 16 -4.677 9.119 -5.887 1.00 0.00 C ATOM 211 CD ARG A 16 -4.069 10.513 -5.932 1.00 0.00 C ATOM 212 NE ARG A 16 -5.089 11.550 -6.060 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.815 12.818 -6.346 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.560 13.203 -6.532 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.798 13.705 -6.446 1.00 0.00 N ATOM 0 HA ARG A 16 -5.275 7.920 -3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.893 8.380 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.171 7.191 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.616 8.662 -6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.735 9.190 -5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.489 10.685 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.377 10.580 -6.771 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.065 11.287 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.802 12.525 -6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.353 14.177 -6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.765 13.413 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.586 14.678 -6.666 1.00 0.00 H new ATOM 229 N VAL A 17 -3.628 7.337 -1.441 1.00 0.00 N ATOM 230 CA VAL A 17 -2.655 6.871 -0.461 1.00 0.00 C ATOM 231 C VAL A 17 -2.958 5.441 -0.024 1.00 0.00 C ATOM 232 O VAL A 17 -3.866 5.202 0.771 1.00 0.00 O ATOM 233 CB VAL A 17 -2.630 7.781 0.782 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.741 7.184 1.864 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.163 9.179 0.408 1.00 0.00 C ATOM 0 H VAL A 17 -4.586 7.039 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.679 6.902 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.643 7.854 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.736 7.841 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.125 6.205 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.725 7.078 1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.151 9.809 1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.159 9.127 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.844 9.605 -0.329 1.00 0.00 H new ATOM 245 N VAL A 18 -2.189 4.492 -0.550 1.00 0.00 N ATOM 246 CA VAL A 18 -2.373 3.086 -0.214 1.00 0.00 C ATOM 247 C VAL A 18 -1.464 2.672 0.938 1.00 0.00 C ATOM 248 O VAL A 18 -0.244 2.606 0.787 1.00 0.00 O ATOM 249 CB VAL A 18 -2.092 2.178 -1.426 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.902 2.697 -2.218 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.857 0.745 -0.975 1.00 0.00 C ATOM 0 H VAL A 18 -1.433 4.672 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.414 2.967 0.087 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.966 2.191 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.719 2.043 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.114 3.705 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.019 2.716 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.660 0.118 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.001 0.711 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.742 0.377 -0.455 1.00 0.00 H new ATOM 261 N HIS A 19 -2.066 2.395 2.090 1.00 0.00 N ATOM 262 CA HIS A 19 -1.311 1.987 3.269 1.00 0.00 C ATOM 263 C HIS A 19 -1.039 0.485 3.246 1.00 0.00 C ATOM 264 O HIS A 19 -1.927 -0.312 2.943 1.00 0.00 O ATOM 265 CB HIS A 19 -2.070 2.360 4.542 1.00 0.00 C ATOM 266 CG HIS A 19 -1.425 1.853 5.795 1.00 0.00 C ATOM 267 ND1 HIS A 19 -0.124 1.624 6.091 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -2.138 1.518 6.926 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 -0.075 1.160 7.382 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -1.303 1.106 7.864 1.00 0.00 N flip ATOM 0 H HIS A 19 -3.075 2.446 2.232 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.356 2.512 3.258 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.154 3.445 4.600 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.084 1.965 4.480 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.672 1.769 5.470 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.211 1.582 7.030 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.822 0.884 7.916 1.00 0.00 H new ATOM 278 N ILE A 20 0.193 0.107 3.569 1.00 0.00 N ATOM 279 CA ILE A 20 0.582 -1.298 3.585 1.00 0.00 C ATOM 280 C ILE A 20 1.306 -1.652 4.880 1.00 0.00 C ATOM 281 O ILE A 20 2.256 -0.978 5.275 1.00 0.00 O ATOM 282 CB ILE A 20 1.490 -1.645 2.390 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.870 -1.138 1.087 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.723 -3.147 2.322 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.813 -0.294 0.258 1.00 0.00 C ATOM 0 H ILE A 20 0.939 0.754 3.823 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.336 -1.881 3.513 1.00 0.00 H new ATOM 0 HB ILE A 20 2.453 -1.153 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.542 -1.992 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.019 -0.552 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.366 -3.377 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.202 -3.483 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.768 -3.658 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.307 0.031 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.121 0.579 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.691 -0.883 -0.007 1.00 0.00 H new ATOM 297 N MET A 21 0.850 -2.716 5.533 1.00 0.00 N ATOM 298 CA MET A 21 1.457 -3.163 6.782 1.00 0.00 C ATOM 299 C MET A 21 1.737 -4.661 6.745 1.00 0.00 C ATOM 300 O MET A 21 1.484 -5.325 5.739 1.00 0.00 O ATOM 301 CB MET A 21 0.545 -2.831 7.964 1.00 0.00 C ATOM 302 CG MET A 21 -0.348 -1.625 7.723 1.00 0.00 C ATOM 303 SD MET A 21 -2.067 -2.080 7.425 1.00 0.00 S ATOM 304 CE MET A 21 -2.253 -1.600 5.710 1.00 0.00 C ATOM 0 H MET A 21 0.063 -3.284 5.219 1.00 0.00 H new ATOM 0 HA MET A 21 2.404 -2.638 6.905 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.079 -3.697 8.185 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.159 -2.648 8.846 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.297 -0.962 8.586 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.029 -1.064 6.867 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.176 -1.033 5.589 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.406 -0.983 5.411 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.290 -2.492 5.085 1.00 0.00 H new ATOM 314 N ASP A 22 2.259 -5.189 7.847 1.00 0.00 N ATOM 315 CA ASP A 22 2.572 -6.610 7.940 1.00 0.00 C ATOM 316 C ASP A 22 3.629 -7.003 6.912 1.00 0.00 C ATOM 317 O ASP A 22 3.893 -8.187 6.700 1.00 0.00 O ATOM 318 CB ASP A 22 1.308 -7.448 7.735 1.00 0.00 C ATOM 319 CG ASP A 22 0.489 -7.578 9.005 1.00 0.00 C ATOM 320 OD1 ASP A 22 0.975 -8.217 9.961 1.00 0.00 O ATOM 321 OD2 ASP A 22 -0.639 -7.043 9.041 1.00 0.00 O ATOM 0 H ASP A 22 2.474 -4.654 8.688 1.00 0.00 H new ATOM 0 HA ASP A 22 2.970 -6.804 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.696 -6.993 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.587 -8.441 7.382 1.00 0.00 H new ATOM 326 N PHE A 23 4.228 -6.002 6.276 1.00 0.00 N ATOM 327 CA PHE A 23 5.255 -6.243 5.268 1.00 0.00 C ATOM 328 C PHE A 23 6.649 -6.135 5.877 1.00 0.00 C ATOM 329 O PHE A 23 6.886 -5.326 6.774 1.00 0.00 O ATOM 330 CB PHE A 23 5.111 -5.247 4.116 1.00 0.00 C ATOM 331 CG PHE A 23 5.601 -3.867 4.450 1.00 0.00 C ATOM 332 CD1 PHE A 23 6.957 -3.602 4.538 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.704 -2.835 4.677 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.413 -2.333 4.846 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.153 -1.565 4.984 1.00 0.00 C ATOM 336 CZ PHE A 23 6.508 -1.314 5.070 1.00 0.00 C ATOM 0 H PHE A 23 4.021 -5.017 6.440 1.00 0.00 H new ATOM 0 HA PHE A 23 5.123 -7.254 4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.662 -5.620 3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.062 -5.191 3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.668 -4.396 4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.643 -3.026 4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.474 -2.140 4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.444 -0.769 5.157 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.860 -0.322 5.312 1.00 0.00 H new ATOM 346 N GLN A 24 7.570 -6.957 5.382 1.00 0.00 N ATOM 347 CA GLN A 24 8.941 -6.954 5.877 1.00 0.00 C ATOM 348 C GLN A 24 9.866 -6.219 4.915 1.00 0.00 C ATOM 349 O GLN A 24 9.439 -5.759 3.856 1.00 0.00 O ATOM 350 CB GLN A 24 9.433 -8.389 6.082 1.00 0.00 C ATOM 351 CG GLN A 24 8.618 -9.173 7.096 1.00 0.00 C ATOM 352 CD GLN A 24 9.389 -10.335 7.692 1.00 0.00 C ATOM 353 OE1 GLN A 24 8.988 -11.492 7.565 1.00 0.00 O ATOM 354 NE2 GLN A 24 10.502 -10.031 8.350 1.00 0.00 N ATOM 0 H GLN A 24 7.391 -7.633 4.639 1.00 0.00 H new ATOM 0 HA GLN A 24 8.955 -6.432 6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.409 -8.912 5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.474 -8.365 6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.300 -8.504 7.896 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.714 -9.549 6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.797 -9.058 8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.062 -10.771 8.775 1.00 0.00 H new ATOM 363 N ARG A 25 11.137 -6.111 5.289 1.00 0.00 N ATOM 364 CA ARG A 25 12.123 -5.429 4.459 1.00 0.00 C ATOM 365 C ARG A 25 13.300 -6.349 4.148 1.00 0.00 C ATOM 366 O ARG A 25 13.457 -7.403 4.762 1.00 0.00 O ATOM 367 CB ARG A 25 12.622 -4.164 5.158 1.00 0.00 C ATOM 368 CG ARG A 25 11.505 -3.304 5.730 1.00 0.00 C ATOM 369 CD ARG A 25 11.818 -1.822 5.593 1.00 0.00 C ATOM 370 NE ARG A 25 12.014 -1.182 6.891 1.00 0.00 N ATOM 371 CZ ARG A 25 13.166 -1.198 7.552 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.219 -1.819 7.039 1.00 0.00 N ATOM 373 NH2 ARG A 25 13.265 -0.592 8.728 1.00 0.00 N ATOM 0 H ARG A 25 11.508 -6.487 6.161 1.00 0.00 H new ATOM 0 HA ARG A 25 11.642 -5.152 3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.300 -4.447 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.199 -3.571 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.571 -3.529 5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.357 -3.550 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.715 -1.695 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.004 -1.327 5.064 1.00 0.00 H new ATOM 0 HE ARG A 25 11.223 -0.696 7.313 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.145 -2.286 6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.103 -1.830 7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.456 -0.114 9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.150 -0.605 9.235 1.00 0.00 H new ATOM 387 N GLY A 26 14.128 -5.940 3.190 1.00 0.00 N ATOM 388 CA GLY A 26 15.280 -6.738 2.815 1.00 0.00 C ATOM 389 C GLY A 26 16.298 -5.947 2.017 1.00 0.00 C ATOM 390 O GLY A 26 17.060 -5.158 2.578 1.00 0.00 O ATOM 0 H GLY A 26 14.021 -5.070 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.754 -7.131 3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.949 -7.595 2.228 1.00 0.00 H new ATOM 394 N LYS A 27 16.313 -6.158 0.706 1.00 0.00 N ATOM 395 CA LYS A 27 17.246 -5.460 -0.171 1.00 0.00 C ATOM 396 C LYS A 27 16.502 -4.731 -1.285 1.00 0.00 C ATOM 397 O LYS A 27 16.822 -3.588 -1.613 1.00 0.00 O ATOM 398 CB LYS A 27 18.248 -6.447 -0.774 1.00 0.00 C ATOM 399 CG LYS A 27 17.602 -7.699 -1.342 1.00 0.00 C ATOM 400 CD LYS A 27 18.197 -8.958 -0.735 1.00 0.00 C ATOM 401 CE LYS A 27 17.650 -10.211 -1.403 1.00 0.00 C ATOM 402 NZ LYS A 27 18.618 -11.341 -1.338 1.00 0.00 N ATOM 0 H LYS A 27 15.689 -6.807 0.227 1.00 0.00 H new ATOM 0 HA LYS A 27 17.785 -4.724 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.807 -5.947 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.967 -6.735 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.529 -7.674 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.733 -7.718 -2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.282 -8.934 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.977 -8.988 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.718 -10.503 -0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.414 -9.994 -2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.209 -12.176 -1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.499 -11.072 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.824 -11.565 -0.343 1.00 0.00 H new ATOM 416 N ASN A 28 15.508 -5.397 -1.862 1.00 0.00 N ATOM 417 CA ASN A 28 14.718 -4.810 -2.939 1.00 0.00 C ATOM 418 C ASN A 28 13.263 -4.642 -2.516 1.00 0.00 C ATOM 419 O ASN A 28 12.356 -4.668 -3.349 1.00 0.00 O ATOM 420 CB ASN A 28 14.800 -5.684 -4.193 1.00 0.00 C ATOM 421 CG ASN A 28 16.200 -5.735 -4.773 1.00 0.00 C ATOM 422 OD1 ASN A 28 17.126 -5.121 -4.243 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.360 -6.469 -5.868 1.00 0.00 N ATOM 0 H ASN A 28 15.230 -6.343 -1.602 1.00 0.00 H new ATOM 0 HA ASN A 28 15.128 -3.825 -3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.474 -6.695 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.112 -5.300 -4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.279 -6.541 -6.304 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.564 -6.961 -6.273 1.00 0.00 H new ATOM 430 N LEU A 29 13.046 -4.469 -1.217 1.00 0.00 N ATOM 431 CA LEU A 29 11.700 -4.296 -0.682 1.00 0.00 C ATOM 432 C LEU A 29 10.984 -3.141 -1.374 1.00 0.00 C ATOM 433 O LEU A 29 9.884 -3.306 -1.902 1.00 0.00 O ATOM 434 CB LEU A 29 11.757 -4.045 0.826 1.00 0.00 C ATOM 435 CG LEU A 29 10.435 -3.666 1.495 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.119 -2.198 1.257 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.306 -4.548 0.979 1.00 0.00 C ATOM 0 H LEU A 29 13.785 -4.445 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 29 11.140 -5.212 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.141 -4.943 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.478 -3.249 1.014 1.00 0.00 H new ATOM 0 HG LEU A 29 10.533 -3.825 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.175 -1.946 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.916 -1.582 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.039 -2.012 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.372 -4.265 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.207 -4.419 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.529 -5.592 1.201 1.00 0.00 H new ATOM 449 N ARG A 30 11.616 -1.971 -1.370 1.00 0.00 N ATOM 450 CA ARG A 30 11.040 -0.789 -1.998 1.00 0.00 C ATOM 451 C ARG A 30 10.399 -1.142 -3.337 1.00 0.00 C ATOM 452 O ARG A 30 9.491 -0.453 -3.803 1.00 0.00 O ATOM 453 CB ARG A 30 12.114 0.282 -2.201 1.00 0.00 C ATOM 454 CG ARG A 30 11.552 1.648 -2.558 1.00 0.00 C ATOM 455 CD ARG A 30 12.420 2.356 -3.586 1.00 0.00 C ATOM 456 NE ARG A 30 12.565 1.575 -4.812 1.00 0.00 N ATOM 457 CZ ARG A 30 12.971 2.088 -5.966 1.00 0.00 C ATOM 458 NH1 ARG A 30 13.273 3.376 -6.054 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.078 1.312 -7.038 1.00 0.00 N ATOM 0 H ARG A 30 12.527 -1.817 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 30 10.267 -0.398 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.705 0.369 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.792 -0.040 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.541 1.536 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.480 2.259 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.982 3.326 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.405 2.547 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 30 12.342 0.580 -4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.193 3.976 -5.233 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.585 3.767 -6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.848 0.320 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.390 1.708 -7.925 1.00 0.00 H new ATOM 473 N TYR A 31 10.879 -2.218 -3.951 1.00 0.00 N ATOM 474 CA TYR A 31 10.355 -2.661 -5.237 1.00 0.00 C ATOM 475 C TYR A 31 9.187 -3.624 -5.048 1.00 0.00 C ATOM 476 O TYR A 31 8.243 -3.633 -5.838 1.00 0.00 O ATOM 477 CB TYR A 31 11.458 -3.334 -6.056 1.00 0.00 C ATOM 478 CG TYR A 31 10.939 -4.336 -7.063 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.505 -3.926 -8.318 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.882 -5.691 -6.760 1.00 0.00 C ATOM 481 CE1 TYR A 31 10.029 -4.837 -9.241 1.00 0.00 C ATOM 482 CE2 TYR A 31 10.409 -6.609 -7.677 1.00 0.00 C ATOM 483 CZ TYR A 31 9.984 -6.177 -8.917 1.00 0.00 C ATOM 484 OH TYR A 31 9.511 -7.088 -9.833 1.00 0.00 O ATOM 0 H TYR A 31 11.630 -2.799 -3.579 1.00 0.00 H new ATOM 0 HA TYR A 31 9.995 -1.784 -5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 31 12.029 -2.567 -6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.147 -3.837 -5.378 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.540 -2.878 -8.576 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.213 -6.032 -5.790 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.694 -4.502 -10.211 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.372 -7.659 -7.425 1.00 0.00 H new ATOM 0 HH TYR A 31 9.547 -7.988 -9.448 1.00 0.00 H new ATOM 494 N GLN A 32 9.259 -4.431 -3.995 1.00 0.00 N ATOM 495 CA GLN A 32 8.208 -5.397 -3.701 1.00 0.00 C ATOM 496 C GLN A 32 6.898 -4.692 -3.364 1.00 0.00 C ATOM 497 O GLN A 32 5.843 -5.029 -3.904 1.00 0.00 O ATOM 498 CB GLN A 32 8.627 -6.301 -2.539 1.00 0.00 C ATOM 499 CG GLN A 32 9.891 -7.098 -2.815 1.00 0.00 C ATOM 500 CD GLN A 32 9.601 -8.506 -3.296 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.576 -9.095 -2.949 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.503 -9.055 -4.101 1.00 0.00 N ATOM 0 H GLN A 32 10.034 -4.435 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 32 8.053 -6.008 -4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.780 -5.689 -1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.814 -6.991 -2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.487 -6.578 -3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.492 -7.145 -1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.338 -8.532 -4.363 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.361 -10.000 -4.457 1.00 0.00 H new ATOM 511 N LEU A 33 6.972 -3.713 -2.470 1.00 0.00 N ATOM 512 CA LEU A 33 5.792 -2.959 -2.061 1.00 0.00 C ATOM 513 C LEU A 33 5.217 -2.169 -3.232 1.00 0.00 C ATOM 514 O LEU A 33 4.001 -2.118 -3.423 1.00 0.00 O ATOM 515 CB LEU A 33 6.141 -2.010 -0.913 1.00 0.00 C ATOM 516 CG LEU A 33 6.439 -2.667 0.435 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.799 -1.616 1.474 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.249 -3.493 0.900 1.00 0.00 C ATOM 0 H LEU A 33 7.837 -3.422 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 33 5.038 -3.669 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.009 -1.421 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.313 -1.313 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 33 7.293 -3.333 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.008 -2.103 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.682 -1.067 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.966 -0.924 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.479 -3.953 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.377 -2.847 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.037 -4.271 0.166 1.00 0.00 H new ATOM 530 N LEU A 34 6.097 -1.557 -4.015 1.00 0.00 N ATOM 531 CA LEU A 34 5.679 -0.772 -5.170 1.00 0.00 C ATOM 532 C LEU A 34 5.065 -1.665 -6.243 1.00 0.00 C ATOM 533 O LEU A 34 4.119 -1.272 -6.925 1.00 0.00 O ATOM 534 CB LEU A 34 6.869 -0.004 -5.749 1.00 0.00 C ATOM 535 CG LEU A 34 7.400 1.151 -4.899 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.786 1.565 -5.368 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.443 2.334 -4.947 1.00 0.00 C ATOM 0 H LEU A 34 7.106 -1.589 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 34 4.922 -0.061 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.683 -0.709 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.582 0.391 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 34 7.474 0.812 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.148 2.388 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.468 0.719 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.737 1.885 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.838 3.146 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.336 2.674 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.470 2.030 -4.562 1.00 0.00 H new ATOM 549 N GLN A 35 5.610 -2.870 -6.385 1.00 0.00 N ATOM 550 CA GLN A 35 5.115 -3.820 -7.373 1.00 0.00 C ATOM 551 C GLN A 35 3.642 -4.139 -7.132 1.00 0.00 C ATOM 552 O GLN A 35 2.981 -4.744 -7.977 1.00 0.00 O ATOM 553 CB GLN A 35 5.940 -5.107 -7.334 1.00 0.00 C ATOM 554 CG GLN A 35 7.147 -5.083 -8.260 1.00 0.00 C ATOM 555 CD GLN A 35 6.759 -5.075 -9.725 1.00 0.00 C ATOM 556 OE1 GLN A 35 6.398 -6.108 -10.290 1.00 0.00 O ATOM 557 NE2 GLN A 35 6.830 -3.905 -10.350 1.00 0.00 N ATOM 0 H GLN A 35 6.394 -3.210 -5.828 1.00 0.00 H new ATOM 0 HA GLN A 35 5.213 -3.364 -8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.279 -5.281 -6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.301 -5.947 -7.605 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.749 -4.201 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.772 -5.953 -8.058 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.134 -3.074 -9.843 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.580 -3.838 -11.337 1.00 0.00 H new ATOM 566 N LEU A 36 3.136 -3.730 -5.974 1.00 0.00 N ATOM 567 CA LEU A 36 1.742 -3.973 -5.621 1.00 0.00 C ATOM 568 C LEU A 36 0.830 -2.922 -6.247 1.00 0.00 C ATOM 569 O LEU A 36 -0.393 -3.064 -6.244 1.00 0.00 O ATOM 570 CB LEU A 36 1.572 -3.971 -4.101 1.00 0.00 C ATOM 571 CG LEU A 36 2.497 -4.908 -3.322 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.490 -4.553 -1.843 1.00 0.00 C ATOM 573 CD2 LEU A 36 2.082 -6.357 -3.526 1.00 0.00 C ATOM 0 H LEU A 36 3.670 -3.229 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 36 1.460 -4.951 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.728 -2.955 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.540 -4.236 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 36 3.512 -4.785 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.153 -5.229 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.834 -3.527 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.477 -4.648 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.751 -7.009 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.060 -6.496 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.138 -6.606 -4.586 1.00 0.00 H new ATOM 585 N VAL A 37 1.434 -1.868 -6.785 1.00 0.00 N ATOM 586 CA VAL A 37 0.678 -0.794 -7.419 1.00 0.00 C ATOM 587 C VAL A 37 1.188 -0.520 -8.829 1.00 0.00 C ATOM 588 O VAL A 37 0.445 -0.047 -9.687 1.00 0.00 O ATOM 589 CB VAL A 37 0.751 0.505 -6.596 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.213 0.279 -5.191 1.00 0.00 C ATOM 591 CG2 VAL A 37 2.179 1.027 -6.552 1.00 0.00 C ATOM 0 H VAL A 37 2.445 -1.734 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.359 -1.125 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 37 0.128 1.257 -7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.273 1.208 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.826 -0.045 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.806 -0.488 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.213 1.946 -5.966 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.826 0.280 -6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.523 1.230 -7.566 1.00 0.00 H new ATOM 601 N GLU A 38 2.462 -0.820 -9.059 1.00 0.00 N ATOM 602 CA GLU A 38 3.073 -0.605 -10.366 1.00 0.00 C ATOM 603 C GLU A 38 2.155 -1.095 -11.482 1.00 0.00 C ATOM 604 O GLU A 38 1.721 -0.331 -12.346 1.00 0.00 O ATOM 605 CB GLU A 38 4.422 -1.322 -10.448 1.00 0.00 C ATOM 606 CG GLU A 38 5.607 -0.378 -10.566 1.00 0.00 C ATOM 607 CD GLU A 38 6.359 -0.545 -11.871 1.00 0.00 C ATOM 608 OE1 GLU A 38 6.535 -1.699 -12.313 1.00 0.00 O ATOM 609 OE2 GLU A 38 6.771 0.481 -12.453 1.00 0.00 O ATOM 0 H GLU A 38 3.091 -1.212 -8.358 1.00 0.00 H new ATOM 0 HA GLU A 38 3.232 0.466 -10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.549 -1.942 -9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.416 -1.993 -11.307 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.257 0.651 -10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.289 -0.551 -9.734 1.00 0.00 H new ATOM 616 N PRO A 39 1.852 -2.401 -11.468 1.00 0.00 N ATOM 617 CA PRO A 39 0.983 -3.025 -12.471 1.00 0.00 C ATOM 618 C PRO A 39 -0.471 -2.585 -12.333 1.00 0.00 C ATOM 619 O PRO A 39 -1.339 -3.034 -13.082 1.00 0.00 O ATOM 620 CB PRO A 39 1.120 -4.521 -12.179 1.00 0.00 C ATOM 621 CG PRO A 39 1.498 -4.593 -10.741 1.00 0.00 C ATOM 622 CD PRO A 39 2.333 -3.372 -10.469 1.00 0.00 C ATOM 0 HA PRO A 39 1.268 -2.748 -13.486 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.185 -5.049 -12.370 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.880 -4.980 -12.812 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.613 -4.609 -10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.059 -5.504 -10.530 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.191 -3.006 -9.452 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.397 -3.578 -10.588 1.00 0.00 H new ATOM 630 N PHE A 40 -0.728 -1.705 -11.371 1.00 0.00 N ATOM 631 CA PHE A 40 -2.078 -1.205 -11.135 1.00 0.00 C ATOM 632 C PHE A 40 -2.211 0.243 -11.598 1.00 0.00 C ATOM 633 O PHE A 40 -3.312 0.724 -11.858 1.00 0.00 O ATOM 634 CB PHE A 40 -2.431 -1.312 -9.650 1.00 0.00 C ATOM 635 CG PHE A 40 -2.540 -2.727 -9.160 1.00 0.00 C ATOM 636 CD1 PHE A 40 -3.746 -3.406 -9.226 1.00 0.00 C ATOM 637 CD2 PHE A 40 -1.437 -3.379 -8.633 1.00 0.00 C ATOM 638 CE1 PHE A 40 -3.849 -4.710 -8.777 1.00 0.00 C ATOM 639 CE2 PHE A 40 -1.535 -4.682 -8.182 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.742 -5.348 -8.252 1.00 0.00 C ATOM 0 H PHE A 40 -0.021 -1.324 -10.743 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.771 -1.817 -11.712 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.672 -0.791 -9.066 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.377 -0.800 -9.472 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.616 -2.911 -9.633 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.490 -2.863 -8.574 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.794 -5.229 -8.837 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.667 -5.179 -7.775 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.821 -6.365 -7.897 1.00 0.00 H new ATOM 650 N GLY A 41 -1.078 0.932 -11.698 1.00 0.00 N ATOM 651 CA GLY A 41 -1.090 2.318 -12.128 1.00 0.00 C ATOM 652 C GLY A 41 0.301 2.919 -12.180 1.00 0.00 C ATOM 653 O GLY A 41 1.282 2.215 -12.419 1.00 0.00 O ATOM 0 H GLY A 41 -0.153 0.556 -11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.549 2.386 -13.114 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.710 2.901 -11.447 1.00 0.00 H new ATOM 657 N VAL A 42 0.387 4.228 -11.958 1.00 0.00 N ATOM 658 CA VAL A 42 1.667 4.924 -11.981 1.00 0.00 C ATOM 659 C VAL A 42 2.100 5.325 -10.576 1.00 0.00 C ATOM 660 O VAL A 42 1.266 5.581 -9.707 1.00 0.00 O ATOM 661 CB VAL A 42 1.605 6.184 -12.865 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.270 6.894 -12.692 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.760 7.119 -12.543 1.00 0.00 C ATOM 0 H VAL A 42 -0.415 4.826 -11.760 1.00 0.00 H new ATOM 0 HA VAL A 42 2.396 4.230 -12.399 1.00 0.00 H new ATOM 0 HB VAL A 42 1.695 5.879 -13.907 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.245 7.781 -13.324 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.539 6.222 -12.978 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.147 7.188 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.700 8.003 -13.177 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.705 7.418 -11.496 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.705 6.606 -12.724 1.00 0.00 H new ATOM 673 N ILE A 43 3.410 5.379 -10.358 1.00 0.00 N ATOM 674 CA ILE A 43 3.954 5.749 -9.058 1.00 0.00 C ATOM 675 C ILE A 43 4.214 7.250 -8.979 1.00 0.00 C ATOM 676 O ILE A 43 5.047 7.785 -9.711 1.00 0.00 O ATOM 677 CB ILE A 43 5.264 4.996 -8.760 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.140 3.528 -9.174 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.615 5.107 -7.283 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.168 2.741 -8.324 1.00 0.00 C ATOM 0 H ILE A 43 4.114 5.171 -11.066 1.00 0.00 H new ATOM 0 HA ILE A 43 3.208 5.471 -8.313 1.00 0.00 H new ATOM 0 HB ILE A 43 6.067 5.451 -9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.822 3.478 -10.215 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.122 3.059 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.543 4.570 -7.088 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.740 6.157 -7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.813 4.674 -6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.131 1.709 -8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.496 2.760 -7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.176 3.186 -8.400 1.00 0.00 H new ATOM 692 N SER A 44 3.498 7.923 -8.084 1.00 0.00 N ATOM 693 CA SER A 44 3.651 9.362 -7.910 1.00 0.00 C ATOM 694 C SER A 44 4.640 9.673 -6.792 1.00 0.00 C ATOM 695 O SER A 44 5.495 10.548 -6.929 1.00 0.00 O ATOM 696 CB SER A 44 2.297 10.006 -7.602 1.00 0.00 C ATOM 697 OG SER A 44 1.861 10.819 -8.677 1.00 0.00 O ATOM 0 H SER A 44 2.807 7.495 -7.469 1.00 0.00 H new ATOM 0 HA SER A 44 4.040 9.776 -8.840 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.558 9.229 -7.407 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.375 10.607 -6.696 1.00 0.00 H new ATOM 0 HG SER A 44 1.079 11.340 -8.397 1.00 0.00 H new ATOM 703 N ASN A 45 4.519 8.949 -5.683 1.00 0.00 N ATOM 704 CA ASN A 45 5.402 9.147 -4.540 1.00 0.00 C ATOM 705 C ASN A 45 5.109 8.126 -3.444 1.00 0.00 C ATOM 706 O ASN A 45 3.965 7.965 -3.021 1.00 0.00 O ATOM 707 CB ASN A 45 5.245 10.564 -3.988 1.00 0.00 C ATOM 708 CG ASN A 45 6.406 11.464 -4.367 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.554 11.198 -4.012 1.00 0.00 O ATOM 710 ND2 ASN A 45 6.109 12.536 -5.093 1.00 0.00 N ATOM 0 H ASN A 45 3.818 8.220 -5.552 1.00 0.00 H new ATOM 0 HA ASN A 45 6.429 9.008 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.317 10.996 -4.362 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.162 10.521 -2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.848 13.179 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.142 12.716 -5.364 1.00 0.00 H new ATOM 717 N HIS A 46 6.153 7.439 -2.989 1.00 0.00 N ATOM 718 CA HIS A 46 6.009 6.435 -1.941 1.00 0.00 C ATOM 719 C HIS A 46 6.814 6.820 -0.704 1.00 0.00 C ATOM 720 O HIS A 46 7.728 7.642 -0.778 1.00 0.00 O ATOM 721 CB HIS A 46 6.460 5.066 -2.452 1.00 0.00 C ATOM 722 CG HIS A 46 7.916 4.794 -2.230 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.912 5.665 -2.620 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.542 3.742 -1.653 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.088 5.159 -2.293 1.00 0.00 C ATOM 726 NE2 HIS A 46 9.892 3.993 -1.705 1.00 0.00 N ATOM 0 H HIS A 46 7.107 7.559 -3.330 1.00 0.00 H new ATOM 0 HA HIS A 46 4.956 6.383 -1.665 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.874 4.291 -1.957 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.244 4.996 -3.518 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.764 6.559 -3.087 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.069 2.868 -1.230 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.047 5.621 -2.476 1.00 0.00 H new ATOM 734 N LEU A 47 6.469 6.222 0.430 1.00 0.00 N ATOM 735 CA LEU A 47 7.159 6.504 1.684 1.00 0.00 C ATOM 736 C LEU A 47 7.304 5.238 2.522 1.00 0.00 C ATOM 737 O LEU A 47 6.313 4.596 2.871 1.00 0.00 O ATOM 738 CB LEU A 47 6.403 7.571 2.477 1.00 0.00 C ATOM 739 CG LEU A 47 6.905 7.833 3.897 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.268 9.091 4.465 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.619 6.637 4.794 1.00 0.00 C ATOM 0 H LEU A 47 5.716 5.539 0.508 1.00 0.00 H new ATOM 0 HA LEU A 47 8.155 6.876 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.445 8.507 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.354 7.279 2.532 1.00 0.00 H new ATOM 0 HG LEU A 47 7.984 7.983 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.637 9.261 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.524 9.944 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.185 8.971 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.983 6.842 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.545 6.455 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.124 5.756 4.398 1.00 0.00 H new ATOM 753 N ILE A 48 8.544 4.885 2.843 1.00 0.00 N ATOM 754 CA ILE A 48 8.818 3.698 3.643 1.00 0.00 C ATOM 755 C ILE A 48 9.584 4.054 4.912 1.00 0.00 C ATOM 756 O ILE A 48 10.776 4.363 4.865 1.00 0.00 O ATOM 757 CB ILE A 48 9.623 2.655 2.846 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.189 2.656 1.379 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.449 1.272 3.455 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.723 1.480 0.589 1.00 0.00 C ATOM 0 H ILE A 48 9.375 5.405 2.561 1.00 0.00 H new ATOM 0 HA ILE A 48 7.852 3.271 3.913 1.00 0.00 H new ATOM 0 HB ILE A 48 10.679 2.920 2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.100 2.651 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.525 3.581 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.024 0.546 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.803 1.281 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.395 0.996 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.375 1.546 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.813 1.495 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.366 0.551 1.033 1.00 0.00 H new ATOM 772 N LEU A 49 8.895 4.009 6.046 1.00 0.00 N ATOM 773 CA LEU A 49 9.510 4.325 7.330 1.00 0.00 C ATOM 774 C LEU A 49 10.539 3.267 7.716 1.00 0.00 C ATOM 775 O LEU A 49 10.272 2.069 7.634 1.00 0.00 O ATOM 776 CB LEU A 49 8.441 4.434 8.418 1.00 0.00 C ATOM 777 CG LEU A 49 7.221 5.290 8.076 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.052 4.938 8.983 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.558 6.769 8.189 1.00 0.00 C ATOM 0 H LEU A 49 7.908 3.756 6.103 1.00 0.00 H new ATOM 0 HA LEU A 49 10.020 5.284 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.098 3.429 8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.905 4.841 9.316 1.00 0.00 H new ATOM 0 HG LEU A 49 6.932 5.081 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.192 5.557 8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.794 3.887 8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.330 5.118 10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.678 7.363 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.873 6.994 9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.365 7.012 7.498 1.00 0.00 H new ATOM 791 N ASN A 50 11.716 3.719 8.139 1.00 0.00 N ATOM 792 CA ASN A 50 12.784 2.812 8.539 1.00 0.00 C ATOM 793 C ASN A 50 12.719 2.521 10.036 1.00 0.00 C ATOM 794 O ASN A 50 13.745 2.310 10.684 1.00 0.00 O ATOM 795 CB ASN A 50 14.148 3.406 8.183 1.00 0.00 C ATOM 796 CG ASN A 50 14.283 3.696 6.700 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.341 4.163 6.060 1.00 0.00 O ATOM 798 ND2 ASN A 50 15.458 3.417 6.148 1.00 0.00 N ATOM 0 H ASN A 50 11.953 4.708 8.213 1.00 0.00 H new ATOM 0 HA ASN A 50 12.651 1.875 7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.298 4.327 8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.933 2.714 8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.608 3.589 5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.210 3.031 6.718 1.00 0.00 H new ATOM 805 N LYS A 51 11.506 2.512 10.579 1.00 0.00 N ATOM 806 CA LYS A 51 11.305 2.247 11.998 1.00 0.00 C ATOM 807 C LYS A 51 10.433 1.012 12.202 1.00 0.00 C ATOM 808 O LYS A 51 10.734 0.160 13.039 1.00 0.00 O ATOM 809 CB LYS A 51 10.661 3.456 12.679 1.00 0.00 C ATOM 810 CG LYS A 51 11.607 4.633 12.851 1.00 0.00 C ATOM 811 CD LYS A 51 11.741 5.032 14.311 1.00 0.00 C ATOM 812 CE LYS A 51 12.934 5.948 14.531 1.00 0.00 C ATOM 813 NZ LYS A 51 12.634 7.022 15.519 1.00 0.00 N ATOM 0 H LYS A 51 10.647 2.685 10.057 1.00 0.00 H new ATOM 0 HA LYS A 51 12.280 2.062 12.448 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.799 3.776 12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.287 3.155 13.658 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.588 4.374 12.452 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.242 5.482 12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.830 5.534 14.637 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.849 4.138 14.925 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.783 5.361 14.880 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.226 6.398 13.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.472 7.625 15.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.840 7.598 15.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.380 6.593 16.432 1.00 0.00 H new ATOM 827 N ILE A 52 9.355 0.920 11.431 1.00 0.00 N ATOM 828 CA ILE A 52 8.442 -0.211 11.527 1.00 0.00 C ATOM 829 C ILE A 52 8.069 -0.735 10.144 1.00 0.00 C ATOM 830 O ILE A 52 8.680 -0.363 9.143 1.00 0.00 O ATOM 831 CB ILE A 52 7.155 0.164 12.285 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.213 0.954 11.375 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.492 0.968 13.533 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.775 2.287 10.933 1.00 0.00 C ATOM 0 H ILE A 52 9.093 1.616 10.733 1.00 0.00 H new ATOM 0 HA ILE A 52 8.965 -0.991 12.081 1.00 0.00 H new ATOM 0 HB ILE A 52 6.650 -0.752 12.591 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.986 0.355 10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.272 1.121 11.898 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.573 1.226 14.059 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.130 0.374 14.187 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.015 1.881 13.248 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.053 2.791 10.291 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.976 2.905 11.808 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.701 2.126 10.381 1.00 0.00 H new ATOM 846 N ASN A 53 7.060 -1.600 10.096 1.00 0.00 N ATOM 847 CA ASN A 53 6.604 -2.173 8.835 1.00 0.00 C ATOM 848 C ASN A 53 5.412 -1.397 8.284 1.00 0.00 C ATOM 849 O ASN A 53 4.402 -1.984 7.898 1.00 0.00 O ATOM 850 CB ASN A 53 6.226 -3.643 9.028 1.00 0.00 C ATOM 851 CG ASN A 53 7.429 -4.515 9.328 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.534 -4.256 8.849 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.220 -5.557 10.126 1.00 0.00 N ATOM 0 H ASN A 53 6.543 -1.919 10.916 1.00 0.00 H new ATOM 0 HA ASN A 53 7.421 -2.106 8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.508 -3.726 9.844 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.731 -4.009 8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.992 -6.180 10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.288 -5.734 10.500 1.00 0.00 H new ATOM 860 N GLU A 54 5.538 -0.074 8.253 1.00 0.00 N ATOM 861 CA GLU A 54 4.469 0.782 7.749 1.00 0.00 C ATOM 862 C GLU A 54 4.939 1.582 6.538 1.00 0.00 C ATOM 863 O GLU A 54 5.967 2.257 6.588 1.00 0.00 O ATOM 864 CB GLU A 54 3.987 1.733 8.847 1.00 0.00 C ATOM 865 CG GLU A 54 3.103 1.063 9.887 1.00 0.00 C ATOM 866 CD GLU A 54 2.126 2.027 10.528 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.424 3.239 10.567 1.00 0.00 O ATOM 868 OE2 GLU A 54 1.060 1.569 10.994 1.00 0.00 O ATOM 0 H GLU A 54 6.367 0.428 8.570 1.00 0.00 H new ATOM 0 HA GLU A 54 3.641 0.144 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.853 2.169 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.436 2.554 8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.550 0.249 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.730 0.619 10.660 1.00 0.00 H new ATOM 875 N ALA A 55 4.178 1.503 5.452 1.00 0.00 N ATOM 876 CA ALA A 55 4.515 2.221 4.229 1.00 0.00 C ATOM 877 C ALA A 55 3.271 2.828 3.589 1.00 0.00 C ATOM 878 O ALA A 55 2.149 2.404 3.864 1.00 0.00 O ATOM 879 CB ALA A 55 5.217 1.293 3.248 1.00 0.00 C ATOM 0 H ALA A 55 3.324 0.949 5.394 1.00 0.00 H new ATOM 0 HA ALA A 55 5.192 3.035 4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.463 1.843 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.132 0.911 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.559 0.460 3.001 1.00 0.00 H new ATOM 885 N PHE A 56 3.478 3.823 2.733 1.00 0.00 N ATOM 886 CA PHE A 56 2.372 4.490 2.053 1.00 0.00 C ATOM 887 C PHE A 56 2.773 4.905 0.641 1.00 0.00 C ATOM 888 O PHE A 56 3.718 5.673 0.452 1.00 0.00 O ATOM 889 CB PHE A 56 1.923 5.717 2.850 1.00 0.00 C ATOM 890 CG PHE A 56 1.735 5.444 4.314 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.589 4.813 4.773 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.703 5.819 5.233 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.413 4.562 6.121 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.532 5.570 6.582 1.00 0.00 C ATOM 895 CZ PHE A 56 1.385 4.940 7.027 1.00 0.00 C ATOM 0 H PHE A 56 4.401 4.186 2.493 1.00 0.00 H new ATOM 0 HA PHE A 56 1.542 3.786 1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.661 6.510 2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.986 6.088 2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.174 4.514 4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.601 6.311 4.891 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.485 4.070 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.294 5.867 7.287 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.249 4.744 8.080 1.00 0.00 H new ATOM 905 N ILE A 57 2.049 4.391 -0.348 1.00 0.00 N ATOM 906 CA ILE A 57 2.327 4.710 -1.743 1.00 0.00 C ATOM 907 C ILE A 57 1.239 5.599 -2.333 1.00 0.00 C ATOM 908 O ILE A 57 0.049 5.352 -2.138 1.00 0.00 O ATOM 909 CB ILE A 57 2.451 3.433 -2.597 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.688 2.635 -2.184 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.511 3.789 -4.075 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.560 1.148 -2.436 1.00 0.00 C ATOM 0 H ILE A 57 1.266 3.752 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 57 3.277 5.245 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 57 1.570 2.813 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.553 3.014 -2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.880 2.800 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.599 2.877 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.602 4.319 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.376 4.426 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.474 0.645 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.715 0.755 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.399 0.972 -3.500 1.00 0.00 H new ATOM 924 N GLU A 58 1.655 6.635 -3.055 1.00 0.00 N ATOM 925 CA GLU A 58 0.713 7.561 -3.674 1.00 0.00 C ATOM 926 C GLU A 58 0.672 7.364 -5.187 1.00 0.00 C ATOM 927 O GLU A 58 1.707 7.381 -5.854 1.00 0.00 O ATOM 928 CB GLU A 58 1.096 9.006 -3.346 1.00 0.00 C ATOM 929 CG GLU A 58 0.091 10.029 -3.847 1.00 0.00 C ATOM 930 CD GLU A 58 0.723 11.379 -4.127 1.00 0.00 C ATOM 931 OE1 GLU A 58 1.428 11.900 -3.237 1.00 0.00 O ATOM 932 OE2 GLU A 58 0.514 11.914 -5.236 1.00 0.00 O ATOM 0 H GLU A 58 2.636 6.854 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.279 7.355 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.200 9.110 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.071 9.223 -3.782 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.378 9.656 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.700 10.149 -3.106 1.00 0.00 H new ATOM 939 N MET A 59 -0.530 7.178 -5.721 1.00 0.00 N ATOM 940 CA MET A 59 -0.707 6.980 -7.155 1.00 0.00 C ATOM 941 C MET A 59 -1.135 8.276 -7.835 1.00 0.00 C ATOM 942 O MET A 59 -1.771 9.130 -7.219 1.00 0.00 O ATOM 943 CB MET A 59 -1.745 5.887 -7.416 1.00 0.00 C ATOM 944 CG MET A 59 -1.418 4.564 -6.742 1.00 0.00 C ATOM 945 SD MET A 59 0.116 3.836 -7.351 1.00 0.00 S ATOM 946 CE MET A 59 -0.445 3.096 -8.882 1.00 0.00 C ATOM 0 H MET A 59 -1.396 7.160 -5.183 1.00 0.00 H new ATOM 0 HA MET A 59 0.250 6.670 -7.574 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.719 6.232 -7.068 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.829 5.727 -8.491 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.341 4.718 -5.666 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.238 3.865 -6.906 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.389 2.590 -9.368 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.234 2.374 -8.670 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.832 3.873 -9.541 1.00 0.00 H new ATOM 956 N ALA A 60 -0.779 8.416 -9.108 1.00 0.00 N ATOM 957 CA ALA A 60 -1.128 9.608 -9.871 1.00 0.00 C ATOM 958 C ALA A 60 -2.640 9.790 -9.946 1.00 0.00 C ATOM 959 O ALA A 60 -3.137 10.909 -10.074 1.00 0.00 O ATOM 960 CB ALA A 60 -0.534 9.530 -11.270 1.00 0.00 C ATOM 0 H ALA A 60 -0.250 7.719 -9.632 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.710 10.474 -9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.802 10.426 -11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.551 9.456 -11.201 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.925 8.651 -11.783 1.00 0.00 H new ATOM 966 N THR A 61 -3.369 8.681 -9.866 1.00 0.00 N ATOM 967 CA THR A 61 -4.825 8.717 -9.926 1.00 0.00 C ATOM 968 C THR A 61 -5.441 7.720 -8.951 1.00 0.00 C ATOM 969 O THR A 61 -5.021 6.564 -8.879 1.00 0.00 O ATOM 970 CB THR A 61 -5.336 8.411 -11.346 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.936 7.092 -11.738 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.802 9.426 -12.345 1.00 0.00 C ATOM 0 H THR A 61 -2.974 7.746 -9.759 1.00 0.00 H new ATOM 0 HA THR A 61 -5.128 9.727 -9.648 1.00 0.00 H new ATOM 0 HB THR A 61 -6.424 8.473 -11.337 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.018 6.926 -11.437 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.177 9.189 -13.341 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.133 10.425 -12.061 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.713 9.393 -12.350 1.00 0.00 H new ATOM 980 N THR A 62 -6.440 8.174 -8.200 1.00 0.00 N ATOM 981 CA THR A 62 -7.113 7.322 -7.228 1.00 0.00 C ATOM 982 C THR A 62 -7.607 6.033 -7.875 1.00 0.00 C ATOM 983 O THR A 62 -7.746 5.007 -7.209 1.00 0.00 O ATOM 984 CB THR A 62 -8.307 8.046 -6.577 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.131 7.105 -5.881 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.135 8.775 -7.626 1.00 0.00 C ATOM 0 H THR A 62 -6.801 9.127 -8.247 1.00 0.00 H new ATOM 0 HA THR A 62 -6.380 7.081 -6.458 1.00 0.00 H new ATOM 0 HB THR A 62 -7.918 8.779 -5.870 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.057 7.257 -4.916 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.972 9.279 -7.143 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.512 9.512 -8.134 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.514 8.057 -8.354 1.00 0.00 H new ATOM 994 N GLU A 63 -7.871 6.093 -9.177 1.00 0.00 N ATOM 995 CA GLU A 63 -8.349 4.929 -9.914 1.00 0.00 C ATOM 996 C GLU A 63 -7.341 3.786 -9.838 1.00 0.00 C ATOM 997 O GLU A 63 -7.696 2.619 -10.008 1.00 0.00 O ATOM 998 CB GLU A 63 -8.614 5.296 -11.375 1.00 0.00 C ATOM 999 CG GLU A 63 -9.902 6.073 -11.585 1.00 0.00 C ATOM 1000 CD GLU A 63 -9.659 7.554 -11.808 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -8.931 8.166 -10.998 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -10.199 8.101 -12.792 1.00 0.00 O ATOM 0 H GLU A 63 -7.762 6.935 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.281 4.598 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.778 5.887 -11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.650 4.383 -11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.434 5.662 -12.443 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.548 5.941 -10.717 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.084 4.129 -9.584 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.024 3.132 -9.485 1.00 0.00 C ATOM 1011 C ASP A 64 -4.940 2.566 -8.072 1.00 0.00 C ATOM 1012 O ASP A 64 -5.118 1.367 -7.861 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.680 3.745 -9.884 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.711 4.356 -11.271 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.500 3.878 -12.113 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.946 5.313 -11.515 1.00 0.00 O ATOM 0 H ASP A 64 -5.773 5.090 -9.443 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.260 2.317 -10.169 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.404 4.511 -9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.908 2.977 -9.846 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.666 3.437 -7.106 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.559 3.024 -5.712 1.00 0.00 C ATOM 1023 C ALA A 65 -5.761 2.184 -5.295 1.00 0.00 C ATOM 1024 O ALA A 65 -5.606 1.113 -4.708 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.423 4.242 -4.809 1.00 0.00 C ATOM 0 H ALA A 65 -4.514 4.433 -7.263 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.666 2.408 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.344 3.918 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.528 4.801 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.299 4.880 -4.924 1.00 0.00 H new ATOM 1031 N GLN A 66 -6.956 2.677 -5.600 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.185 1.972 -5.254 1.00 0.00 C ATOM 1033 C GLN A 66 -8.171 0.551 -5.809 1.00 0.00 C ATOM 1034 O GLN A 66 -8.591 -0.391 -5.138 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.401 2.729 -5.790 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.772 3.949 -4.962 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.214 4.372 -5.160 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.121 3.541 -5.169 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.432 5.673 -5.320 1.00 0.00 N ATOM 0 H GLN A 66 -7.100 3.562 -6.086 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.250 1.918 -4.167 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.201 3.043 -6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.254 2.051 -5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.602 3.733 -3.907 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.115 4.777 -5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.649 6.327 -5.306 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.382 6.018 -5.457 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.683 0.406 -7.036 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.612 -0.901 -7.680 1.00 0.00 C ATOM 1050 C ALA A 67 -6.650 -1.825 -6.943 1.00 0.00 C ATOM 1051 O ALA A 67 -6.979 -2.973 -6.649 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.193 -0.750 -9.135 1.00 0.00 C ATOM 0 H ALA A 67 -7.331 1.176 -7.604 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.604 -1.351 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.144 -1.733 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.921 -0.133 -9.661 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.213 -0.276 -9.184 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.458 -1.316 -6.646 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.448 -2.095 -5.942 1.00 0.00 C ATOM 1060 C ALA A 68 -5.029 -2.744 -4.690 1.00 0.00 C ATOM 1061 O ALA A 68 -4.539 -3.774 -4.228 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.260 -1.217 -5.581 1.00 0.00 C ATOM 0 H ALA A 68 -5.169 -0.367 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.109 -2.889 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.514 -1.813 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.822 -0.806 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.592 -0.402 -4.938 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.076 -2.133 -4.145 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.725 -2.652 -2.946 1.00 0.00 C ATOM 1070 C VAL A 69 -7.694 -3.778 -3.288 1.00 0.00 C ATOM 1071 O VAL A 69 -7.732 -4.804 -2.610 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.487 -1.543 -2.197 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.337 -2.137 -1.084 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.518 -0.509 -1.644 1.00 0.00 C ATOM 0 H VAL A 69 -6.493 -1.278 -4.514 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.936 -3.040 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.151 -1.044 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.868 -1.338 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.058 -2.835 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.695 -2.664 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.075 0.267 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.827 -0.991 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.957 -0.060 -2.464 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.474 -3.578 -4.344 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.442 -4.578 -4.779 1.00 0.00 C ATOM 1086 C ASP A 70 -8.750 -5.892 -5.123 1.00 0.00 C ATOM 1087 O ASP A 70 -9.398 -6.931 -5.256 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.226 -4.068 -5.989 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.721 -4.270 -5.838 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.290 -3.770 -4.845 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.323 -4.927 -6.712 1.00 0.00 O ATOM 0 H ASP A 70 -8.455 -2.733 -4.915 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.135 -4.758 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.018 -3.008 -6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.881 -4.584 -6.885 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.431 -5.840 -5.268 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.650 -7.026 -5.600 1.00 0.00 C ATOM 1098 C TYR A 71 -6.236 -7.777 -4.339 1.00 0.00 C ATOM 1099 O TYR A 71 -5.874 -8.953 -4.393 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.409 -6.636 -6.406 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.619 -7.821 -6.912 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -5.085 -8.590 -7.972 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.406 -8.172 -6.332 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -4.366 -9.674 -8.437 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.681 -9.254 -6.792 1.00 0.00 C ATOM 1106 CZ TYR A 71 -3.165 -10.002 -7.844 1.00 0.00 C ATOM 1107 OH TYR A 71 -2.446 -11.080 -8.306 1.00 0.00 O ATOM 0 H TYR A 71 -6.879 -4.989 -5.161 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.275 -7.684 -6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.715 -6.025 -7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.762 -6.017 -5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.025 -8.336 -8.440 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.024 -7.589 -5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.743 -10.262 -9.261 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.740 -9.513 -6.330 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.624 -11.174 -7.781 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.293 -7.090 -3.204 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.923 -7.689 -1.928 1.00 0.00 C ATOM 1119 C TYR A 72 -7.124 -8.366 -1.275 1.00 0.00 C ATOM 1120 O TYR A 72 -6.974 -9.303 -0.489 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.348 -6.627 -0.988 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.634 -6.892 0.473 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.805 -7.713 1.226 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.736 -6.323 1.099 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.063 -7.959 2.561 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.001 -6.561 2.434 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.161 -7.380 3.160 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.423 -7.621 4.490 1.00 0.00 O ATOM 0 H TYR A 72 -6.592 -6.117 -3.142 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.162 -8.445 -2.119 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.269 -6.571 -1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.758 -5.654 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.943 -8.167 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.397 -5.684 0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.408 -8.601 3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.860 -6.109 2.906 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.232 -7.137 4.757 1.00 0.00 H new ATOM 1138 N THR A 73 -8.318 -7.884 -1.605 1.00 0.00 N ATOM 1139 CA THR A 73 -9.547 -8.440 -1.052 1.00 0.00 C ATOM 1140 C THR A 73 -9.917 -9.748 -1.742 1.00 0.00 C ATOM 1141 O THR A 73 -10.426 -10.674 -1.110 1.00 0.00 O ATOM 1142 CB THR A 73 -10.721 -7.452 -1.186 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.920 -8.045 -0.676 1.00 0.00 O ATOM 1144 CG2 THR A 73 -10.926 -7.048 -2.637 1.00 0.00 C ATOM 0 H THR A 73 -8.460 -7.109 -2.253 1.00 0.00 H new ATOM 0 HA THR A 73 -9.361 -8.630 0.005 1.00 0.00 H new ATOM 0 HB THR A 73 -10.483 -6.559 -0.608 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.662 -7.410 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.760 -6.350 -2.706 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.021 -6.570 -3.013 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.144 -7.934 -3.234 1.00 0.00 H new ATOM 1152 N THR A 74 -9.659 -9.819 -3.045 1.00 0.00 N ATOM 1153 CA THR A 74 -9.967 -11.014 -3.820 1.00 0.00 C ATOM 1154 C THR A 74 -8.768 -11.955 -3.880 1.00 0.00 C ATOM 1155 O THR A 74 -8.923 -13.176 -3.864 1.00 0.00 O ATOM 1156 CB THR A 74 -10.396 -10.656 -5.256 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.312 -10.030 -5.949 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.602 -9.729 -5.246 1.00 0.00 C ATOM 0 H THR A 74 -9.238 -9.063 -3.585 1.00 0.00 H new ATOM 0 HA THR A 74 -10.793 -11.514 -3.315 1.00 0.00 H new ATOM 0 HB THR A 74 -10.671 -11.577 -5.770 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.293 -9.075 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.886 -9.490 -6.271 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.435 -10.221 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.350 -8.810 -4.716 1.00 0.00 H new ATOM 1166 N THR A 75 -7.573 -11.378 -3.947 1.00 0.00 N ATOM 1167 CA THR A 75 -6.347 -12.165 -4.009 1.00 0.00 C ATOM 1168 C THR A 75 -5.411 -11.815 -2.857 1.00 0.00 C ATOM 1169 O THR A 75 -5.244 -10.651 -2.493 1.00 0.00 O ATOM 1170 CB THR A 75 -5.606 -11.948 -5.342 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.435 -12.358 -6.435 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.301 -12.726 -5.368 1.00 0.00 C ATOM 0 H THR A 75 -7.427 -10.369 -3.960 1.00 0.00 H new ATOM 0 HA THR A 75 -6.639 -13.212 -3.931 1.00 0.00 H new ATOM 0 HB THR A 75 -5.379 -10.886 -5.438 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.958 -12.215 -7.279 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.796 -12.557 -6.319 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.661 -12.390 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.509 -13.790 -5.252 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.784 -12.845 -2.270 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.851 -12.672 -1.152 1.00 0.00 C ATOM 1182 C PRO A 76 -2.553 -11.997 -1.580 1.00 0.00 C ATOM 1183 O PRO A 76 -1.861 -12.473 -2.480 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.582 -14.106 -0.689 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.835 -14.946 -1.892 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.935 -14.260 -2.653 1.00 0.00 C ATOM 0 HA PRO A 76 -4.262 -12.029 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.558 -14.222 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.239 -14.386 0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.936 -15.035 -2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.129 -15.956 -1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.827 -14.399 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.916 -14.648 -2.379 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.226 -10.885 -0.928 1.00 0.00 N ATOM 1195 CA ALA A 77 -1.009 -10.147 -1.241 1.00 0.00 C ATOM 1196 C ALA A 77 0.163 -10.640 -0.398 1.00 0.00 C ATOM 1197 O ALA A 77 0.354 -10.199 0.737 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.225 -8.656 -1.024 1.00 0.00 C ATOM 0 H ALA A 77 -2.787 -10.476 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.768 -10.320 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.308 -8.117 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.029 -8.307 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.493 -8.475 0.017 1.00 0.00 H new ATOM 1204 N LEU A 78 0.944 -11.557 -0.959 1.00 0.00 N ATOM 1205 CA LEU A 78 2.098 -12.110 -0.259 1.00 0.00 C ATOM 1206 C LEU A 78 3.370 -11.349 -0.617 1.00 0.00 C ATOM 1207 O LEU A 78 3.841 -11.408 -1.754 1.00 0.00 O ATOM 1208 CB LEU A 78 2.263 -13.592 -0.600 1.00 0.00 C ATOM 1209 CG LEU A 78 1.124 -14.513 -0.160 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.432 -15.955 -0.527 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.881 -14.382 1.336 1.00 0.00 C ATOM 0 H LEU A 78 0.799 -11.933 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 78 1.926 -12.006 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.382 -13.685 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.188 -13.948 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 78 0.216 -14.213 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.610 -16.596 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.556 -16.037 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.351 -16.268 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.067 -15.044 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.787 -14.656 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.615 -13.352 1.573 1.00 0.00 H new ATOM 1223 N VAL A 79 3.923 -10.637 0.358 1.00 0.00 N ATOM 1224 CA VAL A 79 5.142 -9.866 0.146 1.00 0.00 C ATOM 1225 C VAL A 79 6.372 -10.649 0.593 1.00 0.00 C ATOM 1226 O VAL A 79 6.469 -11.069 1.746 1.00 0.00 O ATOM 1227 CB VAL A 79 5.099 -8.525 0.903 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.426 -7.795 0.774 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.955 -7.663 0.393 1.00 0.00 C ATOM 0 H VAL A 79 3.546 -10.578 1.304 1.00 0.00 H new ATOM 0 HA VAL A 79 5.208 -9.668 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 79 4.927 -8.730 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.376 -6.850 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.222 -8.411 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.633 -7.600 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.939 -6.719 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.094 -7.465 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.010 -8.185 0.544 1.00 0.00 H new ATOM 1239 N PHE A 80 7.310 -10.842 -0.328 1.00 0.00 N ATOM 1240 CA PHE A 80 8.535 -11.577 -0.030 1.00 0.00 C ATOM 1241 C PHE A 80 8.227 -13.033 0.309 1.00 0.00 C ATOM 1242 O PHE A 80 9.116 -13.794 0.687 1.00 0.00 O ATOM 1243 CB PHE A 80 9.279 -10.917 1.133 1.00 0.00 C ATOM 1244 CG PHE A 80 10.281 -9.887 0.697 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.152 -10.148 -0.348 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.350 -8.657 1.331 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.076 -9.202 -0.750 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.271 -7.707 0.933 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.135 -7.980 -0.110 1.00 0.00 C ATOM 0 H PHE A 80 7.246 -10.500 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 80 9.168 -11.555 -0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.554 -10.448 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.790 -11.687 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.109 -11.101 -0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.676 -8.438 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.752 -9.419 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.315 -6.753 1.436 1.00 0.00 H new ATOM 0 HZ PHE A 80 12.855 -7.239 -0.424 1.00 0.00 H new ATOM 1259 N GLY A 81 6.961 -13.412 0.168 1.00 0.00 N ATOM 1260 CA GLY A 81 6.557 -14.775 0.463 1.00 0.00 C ATOM 1261 C GLY A 81 5.578 -14.853 1.617 1.00 0.00 C ATOM 1262 O GLY A 81 4.864 -15.844 1.770 1.00 0.00 O ATOM 0 H GLY A 81 6.207 -12.800 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.103 -15.216 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.440 -15.369 0.699 1.00 0.00 H new ATOM 1266 N LYS A 82 5.544 -13.806 2.434 1.00 0.00 N ATOM 1267 CA LYS A 82 4.646 -13.758 3.582 1.00 0.00 C ATOM 1268 C LYS A 82 3.472 -12.820 3.316 1.00 0.00 C ATOM 1269 O LYS A 82 3.569 -11.874 2.534 1.00 0.00 O ATOM 1270 CB LYS A 82 5.404 -13.303 4.830 1.00 0.00 C ATOM 1271 CG LYS A 82 6.245 -12.058 4.611 1.00 0.00 C ATOM 1272 CD LYS A 82 7.683 -12.409 4.272 1.00 0.00 C ATOM 1273 CE LYS A 82 8.604 -11.209 4.431 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.990 -11.507 3.977 1.00 0.00 N ATOM 0 H LYS A 82 6.129 -12.978 2.322 1.00 0.00 H new ATOM 0 HA LYS A 82 4.255 -14.762 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.688 -13.112 5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.050 -14.113 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.815 -11.464 3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.222 -11.440 5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.023 -13.218 4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.737 -12.776 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.208 -10.369 3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.623 -10.902 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.354 -10.705 3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.601 -11.662 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.985 -12.362 3.386 1.00 0.00 H new ATOM 1288 N PRO A 83 2.339 -13.085 3.982 1.00 0.00 N ATOM 1289 CA PRO A 83 1.127 -12.274 3.835 1.00 0.00 C ATOM 1290 C PRO A 83 1.279 -10.887 4.450 1.00 0.00 C ATOM 1291 O PRO A 83 2.041 -10.698 5.399 1.00 0.00 O ATOM 1292 CB PRO A 83 0.068 -13.080 4.591 1.00 0.00 C ATOM 1293 CG PRO A 83 0.837 -13.880 5.584 1.00 0.00 C ATOM 1294 CD PRO A 83 2.154 -14.196 4.931 1.00 0.00 C ATOM 0 HA PRO A 83 0.881 -12.095 2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.651 -12.425 5.082 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.496 -13.724 3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.984 -13.319 6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.303 -14.793 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.963 -14.241 5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.129 -15.160 4.422 1.00 0.00 H new ATOM 1302 N VAL A 84 0.550 -9.919 3.904 1.00 0.00 N ATOM 1303 CA VAL A 84 0.603 -8.549 4.399 1.00 0.00 C ATOM 1304 C VAL A 84 -0.776 -7.901 4.371 1.00 0.00 C ATOM 1305 O VAL A 84 -1.773 -8.552 4.058 1.00 0.00 O ATOM 1306 CB VAL A 84 1.579 -7.690 3.573 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.933 -8.374 3.466 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.004 -7.409 2.193 1.00 0.00 C ATOM 0 H VAL A 84 -0.085 -10.059 3.118 1.00 0.00 H new ATOM 0 HA VAL A 84 0.957 -8.599 5.429 1.00 0.00 H new ATOM 0 HB VAL A 84 1.719 -6.737 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.609 -7.752 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.347 -8.519 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.814 -9.342 2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.707 -6.801 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.833 -8.351 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.060 -6.874 2.294 1.00 0.00 H new ATOM 1318 N ARG A 85 -0.826 -6.615 4.702 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.084 -5.878 4.715 1.00 0.00 C ATOM 1320 C ARG A 85 -2.052 -4.729 3.710 1.00 0.00 C ATOM 1321 O ARG A 85 -1.040 -4.043 3.567 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.366 -5.334 6.117 1.00 0.00 C ATOM 1323 CG ARG A 85 -2.804 -6.402 7.107 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.026 -5.818 8.493 1.00 0.00 C ATOM 1325 NE ARG A 85 -3.489 -6.826 9.443 1.00 0.00 N ATOM 1326 CZ ARG A 85 -3.754 -6.567 10.719 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -3.603 -5.339 11.195 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -4.172 -7.537 11.522 1.00 0.00 N ATOM 0 H ARG A 85 -0.010 -6.062 4.965 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.881 -6.565 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.468 -4.846 6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.141 -4.570 6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.724 -6.870 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.048 -7.185 7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.096 -5.379 8.855 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.758 -5.012 8.434 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.616 -7.781 9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.283 -4.590 10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.807 -5.143 12.175 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.290 -8.483 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.375 -7.336 12.501 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.167 -4.526 3.015 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.268 -3.462 2.025 1.00 0.00 C ATOM 1344 C VAL A 86 -4.568 -2.682 2.186 1.00 0.00 C ATOM 1345 O VAL A 86 -5.657 -3.223 1.997 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.193 -4.021 0.591 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.606 -2.960 -0.418 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.792 -4.534 0.292 1.00 0.00 C ATOM 0 H VAL A 86 -4.013 -5.085 3.120 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.423 -2.794 2.192 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.887 -4.857 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.547 -3.373 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.629 -2.644 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.938 -2.102 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.757 -4.925 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.077 -3.718 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.537 -5.327 0.995 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.446 -1.406 2.536 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.611 -0.549 2.723 1.00 0.00 C ATOM 1360 C HIS A 87 -5.468 0.744 1.925 1.00 0.00 C ATOM 1361 O HIS A 87 -4.373 1.096 1.485 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.804 -0.228 4.205 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.149 -1.425 5.037 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -6.775 -2.580 4.709 1.00 0.00 N flip ATOM 1365 CD2 HIS A 87 -5.849 -1.522 6.379 1.00 0.00 C flip ATOM 1366 CE1 HIS A 87 -6.839 -3.346 5.847 1.00 0.00 C flip ATOM 1367 NE2 HIS A 87 -6.273 -2.685 6.841 1.00 0.00 N flip ATOM 0 H HIS A 87 -3.552 -0.942 2.696 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.487 -1.086 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.890 0.223 4.593 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.594 0.515 4.307 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.132 -2.834 3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.346 -0.765 6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.280 -4.329 5.918 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.581 1.447 1.742 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.580 2.701 0.997 1.00 0.00 C ATOM 1377 C LEU A 88 -6.732 3.893 1.937 1.00 0.00 C ATOM 1378 O LEU A 88 -7.847 4.276 2.294 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.707 2.704 -0.037 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.395 3.387 -1.368 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.338 4.897 -1.194 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.085 2.864 -1.941 1.00 0.00 C ATOM 0 H LEU A 88 -7.495 1.170 2.099 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.623 2.788 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.990 1.671 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.576 3.192 0.404 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.195 3.154 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.115 5.366 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.300 5.258 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.559 5.151 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.878 3.361 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.275 3.067 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.163 1.789 -2.104 1.00 0.00 H new