USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 483 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 Single : A 9 THR OG1 : rot 48:sc= 0.637 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.056 USER MOD Single : A 15 HIS : no HD1:sc= -2.25! K(o=-2.3!,f=-1.1) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00888 USER MOD Single : A 29 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 32 THR OG1 : rot 90:sc= -2.99! USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= 0.633 (180deg=-0.0626) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2.24! C(o=-2.2!,f=-8.2!) USER MOD Single : A 39 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.0053) USER MOD Single : A 40 GLN : amide:sc= -3.13! K(o=-3.1!,f=-1.1) USER MOD Single : A 43 THR OG1 : rot 60:sc= 1.27 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.399 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 146:sc= -5.12! (180deg=-6.32!) USER MOD Single : A 87 MET CE :methyl -108:sc= -2.73! (180deg=-5.8!) USER MOD Single : A 88 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 91 SER OG : rot -85:sc= 0.669 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -1.75! C(o=-1.8!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.772 -12.919 104.610 1.00 0.00 N ATOM 134 CA THR A 9 -233.031 -12.690 103.918 1.00 0.00 C ATOM 135 C THR A 9 -233.694 -14.015 103.529 1.00 0.00 C ATOM 136 O THR A 9 -233.255 -14.689 102.592 1.00 0.00 O ATOM 137 CB THR A 9 -232.798 -11.843 102.648 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.823 -12.480 101.810 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.317 -10.443 103.007 1.00 0.00 C ATOM 0 HA THR A 9 -233.692 -12.153 104.598 1.00 0.00 H new ATOM 0 HB THR A 9 -233.746 -11.761 102.116 1.00 0.00 H new ATOM 0 HG1 THR A 9 -232.049 -13.428 101.707 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.160 -9.867 102.095 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.066 -9.948 103.625 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.379 -10.511 103.559 1.00 0.00 H new ATOM 147 N HIS A 10 -234.724 -14.405 104.264 1.00 0.00 N ATOM 148 CA HIS A 10 -235.490 -15.601 103.928 1.00 0.00 C ATOM 149 C HIS A 10 -236.861 -15.214 103.421 1.00 0.00 C ATOM 150 O HIS A 10 -237.450 -14.257 103.891 1.00 0.00 O ATOM 151 CB HIS A 10 -235.640 -16.533 105.130 1.00 0.00 C ATOM 152 CG HIS A 10 -234.398 -17.291 105.479 1.00 0.00 C ATOM 153 ND1 HIS A 10 -234.295 -18.656 105.329 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.209 -16.881 105.983 1.00 0.00 C ATOM 155 CE1 HIS A 10 -233.102 -19.053 105.730 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.420 -17.996 106.127 1.00 0.00 N ATOM 0 H HIS A 10 -235.050 -13.914 105.096 1.00 0.00 H new ATOM 0 HA HIS A 10 -234.942 -16.133 103.150 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -235.948 -15.945 105.995 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.441 -17.244 104.926 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -232.933 -15.866 106.226 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -232.744 -20.072 105.733 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.464 -18.005 106.482 1.00 0.00 H new ATOM 165 N ARG A 11 -237.357 -15.934 102.449 1.00 0.00 N ATOM 166 CA ARG A 11 -238.669 -15.677 101.940 1.00 0.00 C ATOM 167 C ARG A 11 -239.681 -16.617 102.567 1.00 0.00 C ATOM 168 O ARG A 11 -239.351 -17.747 102.934 1.00 0.00 O ATOM 169 CB ARG A 11 -238.668 -15.806 100.440 1.00 0.00 C ATOM 170 CG ARG A 11 -239.428 -14.673 99.828 1.00 0.00 C ATOM 171 CD ARG A 11 -239.028 -14.426 98.395 1.00 0.00 C ATOM 172 NE ARG A 11 -239.396 -15.535 97.516 1.00 0.00 N ATOM 173 CZ ARG A 11 -240.080 -15.389 96.385 1.00 0.00 C ATOM 174 NH1 ARG A 11 -240.471 -14.182 95.993 1.00 0.00 N ATOM 175 NH2 ARG A 11 -240.376 -16.452 95.651 1.00 0.00 N ATOM 0 H ARG A 11 -236.866 -16.705 101.996 1.00 0.00 H new ATOM 0 HA ARG A 11 -238.957 -14.659 102.201 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.643 -15.810 100.068 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.117 -16.755 100.148 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.496 -14.888 99.873 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.260 -13.768 100.411 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -239.503 -13.511 98.040 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -237.951 -14.267 98.343 1.00 0.00 H new ATOM 0 HE ARG A 11 -239.111 -16.476 97.786 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -240.247 -13.364 96.560 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -240.996 -14.073 95.125 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -240.079 -17.380 95.954 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.901 -16.342 94.783 1.00 0.00 H new ATOM 189 N VAL A 12 -240.905 -16.142 102.698 1.00 0.00 N ATOM 190 CA VAL A 12 -241.961 -16.913 103.317 1.00 0.00 C ATOM 191 C VAL A 12 -243.198 -16.897 102.424 1.00 0.00 C ATOM 192 O VAL A 12 -243.775 -15.837 102.158 1.00 0.00 O ATOM 193 CB VAL A 12 -242.277 -16.375 104.738 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.386 -14.853 104.737 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.541 -17.017 105.297 1.00 0.00 C ATOM 0 H VAL A 12 -241.192 -15.216 102.380 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.631 -17.946 103.430 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.448 -16.648 105.391 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.608 -14.503 105.745 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.443 -14.421 104.403 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.185 -14.546 104.062 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.739 -16.622 106.293 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.383 -16.792 104.643 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.406 -18.097 105.355 1.00 0.00 H new ATOM 205 N THR A 13 -243.565 -18.067 101.912 1.00 0.00 N ATOM 206 CA THR A 13 -244.677 -18.172 100.985 1.00 0.00 C ATOM 207 C THR A 13 -245.991 -18.027 101.747 1.00 0.00 C ATOM 208 O THR A 13 -246.329 -18.869 102.585 1.00 0.00 O ATOM 209 CB THR A 13 -244.691 -19.534 100.266 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.400 -19.802 99.696 1.00 0.00 O ATOM 211 CG2 THR A 13 -245.761 -19.547 99.175 1.00 0.00 C ATOM 0 H THR A 13 -243.107 -18.953 102.125 1.00 0.00 H new ATOM 0 HA THR A 13 -244.562 -17.381 100.244 1.00 0.00 H new ATOM 0 HB THR A 13 -244.925 -20.312 100.993 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.417 -20.670 99.242 1.00 0.00 H new ATOM 0 HG21 THR A 13 -245.759 -20.516 98.675 1.00 0.00 H new ATOM 0 HG22 THR A 13 -246.739 -19.371 99.623 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.549 -18.763 98.448 1.00 0.00 H new ATOM 219 N VAL A 14 -246.730 -16.978 101.459 1.00 0.00 N ATOM 220 CA VAL A 14 -247.953 -16.698 102.183 1.00 0.00 C ATOM 221 C VAL A 14 -249.165 -17.174 101.386 1.00 0.00 C ATOM 222 O VAL A 14 -249.365 -16.774 100.242 1.00 0.00 O ATOM 223 CB VAL A 14 -248.055 -15.192 102.481 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.194 -14.882 103.435 1.00 0.00 C ATOM 225 CG2 VAL A 14 -246.739 -14.681 103.034 1.00 0.00 C ATOM 0 H VAL A 14 -246.506 -16.303 100.728 1.00 0.00 H new ATOM 0 HA VAL A 14 -247.935 -17.239 103.129 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.270 -14.679 101.544 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.232 -13.808 103.620 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.136 -15.208 102.995 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.033 -15.407 104.377 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -246.821 -13.614 103.242 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -246.500 -15.213 103.955 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -245.948 -14.848 102.303 1.00 0.00 H new ATOM 235 N HIS A 15 -249.958 -18.047 101.997 1.00 0.00 N ATOM 236 CA HIS A 15 -251.099 -18.660 101.329 1.00 0.00 C ATOM 237 C HIS A 15 -252.368 -17.849 101.533 1.00 0.00 C ATOM 238 O HIS A 15 -253.377 -18.093 100.879 1.00 0.00 O ATOM 239 CB HIS A 15 -251.324 -20.073 101.863 1.00 0.00 C ATOM 240 CG HIS A 15 -251.213 -21.124 100.805 1.00 0.00 C ATOM 241 ND1 HIS A 15 -250.499 -22.297 100.945 1.00 0.00 N ATOM 242 CD2 HIS A 15 -251.756 -21.166 99.573 1.00 0.00 C ATOM 243 CE1 HIS A 15 -250.621 -23.015 99.842 1.00 0.00 C ATOM 244 NE2 HIS A 15 -251.382 -22.348 98.990 1.00 0.00 N ATOM 0 H HIS A 15 -249.829 -18.348 102.963 1.00 0.00 H new ATOM 0 HA HIS A 15 -250.873 -18.693 100.263 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -250.597 -20.278 102.649 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.312 -20.129 102.320 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -252.376 -20.404 99.125 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -250.175 -23.983 99.666 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -251.646 -22.661 98.056 1.00 0.00 H new ATOM 253 N GLY A 16 -252.321 -16.910 102.463 1.00 0.00 N ATOM 254 CA GLY A 16 -253.496 -16.119 102.756 1.00 0.00 C ATOM 255 C GLY A 16 -253.577 -14.866 101.921 1.00 0.00 C ATOM 256 O GLY A 16 -254.658 -14.319 101.720 1.00 0.00 O ATOM 0 H GLY A 16 -251.496 -16.682 103.017 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.387 -16.723 102.585 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.492 -15.848 103.812 1.00 0.00 H new ATOM 260 N VAL A 17 -252.431 -14.397 101.450 1.00 0.00 N ATOM 261 CA VAL A 17 -252.393 -13.239 100.584 1.00 0.00 C ATOM 262 C VAL A 17 -252.881 -13.625 99.195 1.00 0.00 C ATOM 263 O VAL A 17 -252.282 -14.457 98.513 1.00 0.00 O ATOM 264 CB VAL A 17 -250.985 -12.605 100.519 1.00 0.00 C ATOM 265 CG1 VAL A 17 -249.929 -13.653 100.232 1.00 0.00 C ATOM 266 CG2 VAL A 17 -250.930 -11.497 99.477 1.00 0.00 C ATOM 0 H VAL A 17 -251.518 -14.803 101.655 1.00 0.00 H new ATOM 0 HA VAL A 17 -253.056 -12.482 101.003 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.776 -12.166 101.495 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -248.948 -13.180 100.192 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.937 -14.404 101.022 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.141 -14.131 99.275 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -249.928 -11.069 99.453 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -251.173 -11.907 98.497 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -251.650 -10.720 99.734 1.00 0.00 H new ATOM 326 N PRO A 22 -252.576 -17.157 94.154 1.00 0.00 N ATOM 327 CA PRO A 22 -253.173 -17.987 95.192 1.00 0.00 C ATOM 328 C PRO A 22 -252.309 -18.027 96.450 1.00 0.00 C ATOM 329 O PRO A 22 -252.801 -18.157 97.572 1.00 0.00 O ATOM 330 CB PRO A 22 -253.219 -19.357 94.519 1.00 0.00 C ATOM 331 CG PRO A 22 -252.188 -19.319 93.424 1.00 0.00 C ATOM 332 CD PRO A 22 -251.681 -17.926 93.294 1.00 0.00 C ATOM 0 HA PRO A 22 -254.144 -17.624 95.530 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -252.999 -20.150 95.234 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.211 -19.559 94.114 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -251.368 -20.000 93.653 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -252.625 -19.652 92.482 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -250.644 -17.844 93.619 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -251.720 -17.579 92.261 1.00 0.00 H new ATOM 340 N PHE A 23 -251.018 -17.946 96.217 1.00 0.00 N ATOM 341 CA PHE A 23 -250.011 -17.861 97.258 1.00 0.00 C ATOM 342 C PHE A 23 -248.828 -17.070 96.725 1.00 0.00 C ATOM 343 O PHE A 23 -248.371 -17.312 95.607 1.00 0.00 O ATOM 344 CB PHE A 23 -249.572 -19.261 97.721 1.00 0.00 C ATOM 345 CG PHE A 23 -249.127 -20.185 96.616 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.046 -20.972 95.940 1.00 0.00 C ATOM 347 CD2 PHE A 23 -247.789 -20.276 96.264 1.00 0.00 C ATOM 348 CE1 PHE A 23 -249.641 -21.828 94.932 1.00 0.00 C ATOM 349 CE2 PHE A 23 -247.378 -21.129 95.257 1.00 0.00 C ATOM 350 CZ PHE A 23 -248.304 -21.905 94.590 1.00 0.00 C ATOM 0 H PHE A 23 -250.627 -17.937 95.275 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.430 -17.354 98.127 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -248.755 -19.152 98.435 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.401 -19.728 98.254 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.092 -20.916 96.204 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.059 -19.673 96.783 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -250.368 -22.435 94.413 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -246.333 -21.188 94.992 1.00 0.00 H new ATOM 0 HZ PHE A 23 -247.985 -22.571 93.802 1.00 0.00 H new ATOM 360 N THR A 24 -248.358 -16.104 97.490 1.00 0.00 N ATOM 361 CA THR A 24 -247.222 -15.314 97.066 1.00 0.00 C ATOM 362 C THR A 24 -246.239 -15.155 98.223 1.00 0.00 C ATOM 363 O THR A 24 -246.626 -15.130 99.389 1.00 0.00 O ATOM 364 CB THR A 24 -247.656 -13.946 96.483 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.583 -13.350 95.740 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.111 -12.990 97.564 1.00 0.00 C ATOM 0 H THR A 24 -248.742 -15.850 98.400 1.00 0.00 H new ATOM 0 HA THR A 24 -246.717 -15.843 96.258 1.00 0.00 H new ATOM 0 HB THR A 24 -248.499 -14.136 95.819 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.875 -12.488 95.378 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.406 -12.043 97.112 1.00 0.00 H new ATOM 0 HG22 THR A 24 -248.961 -13.419 98.095 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.294 -12.818 98.265 1.00 0.00 H new ATOM 374 N VAL A 25 -244.969 -15.082 97.882 1.00 0.00 N ATOM 375 CA VAL A 25 -243.892 -15.173 98.857 1.00 0.00 C ATOM 376 C VAL A 25 -243.183 -13.824 99.003 1.00 0.00 C ATOM 377 O VAL A 25 -242.817 -13.206 98.002 1.00 0.00 O ATOM 378 CB VAL A 25 -242.876 -16.231 98.385 1.00 0.00 C ATOM 379 CG1 VAL A 25 -241.983 -16.702 99.507 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.568 -17.400 97.704 1.00 0.00 C ATOM 0 H VAL A 25 -244.650 -14.958 96.921 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.311 -15.455 99.823 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.235 -15.747 97.648 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.284 -17.447 99.127 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.428 -15.855 99.910 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.592 -17.145 100.295 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -242.822 -18.128 97.383 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.258 -17.872 98.403 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.120 -17.040 96.836 1.00 0.00 H new ATOM 390 N PHE A 26 -242.990 -13.359 100.237 1.00 0.00 N ATOM 391 CA PHE A 26 -242.287 -12.094 100.462 1.00 0.00 C ATOM 392 C PHE A 26 -241.004 -12.326 101.228 1.00 0.00 C ATOM 393 O PHE A 26 -240.943 -13.182 102.114 1.00 0.00 O ATOM 394 CB PHE A 26 -243.157 -11.073 101.195 1.00 0.00 C ATOM 395 CG PHE A 26 -244.495 -10.864 100.546 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.589 -11.644 100.898 1.00 0.00 C ATOM 397 CD2 PHE A 26 -244.652 -9.890 99.580 1.00 0.00 C ATOM 398 CE1 PHE A 26 -246.813 -11.446 100.290 1.00 0.00 C ATOM 399 CE2 PHE A 26 -245.874 -9.689 98.969 1.00 0.00 C ATOM 400 CZ PHE A 26 -246.955 -10.468 99.326 1.00 0.00 C ATOM 0 H PHE A 26 -243.305 -13.830 101.085 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.050 -11.682 99.481 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.306 -11.403 102.223 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.629 -10.120 101.240 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.482 -12.410 101.652 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -243.808 -9.277 99.299 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.659 -12.056 100.569 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -245.983 -8.924 98.214 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.913 -10.313 98.851 1.00 0.00 H new ATOM 410 N THR A 27 -239.977 -11.580 100.866 1.00 0.00 N ATOM 411 CA THR A 27 -238.657 -11.776 101.435 1.00 0.00 C ATOM 412 C THR A 27 -238.484 -10.958 102.703 1.00 0.00 C ATOM 413 O THR A 27 -238.967 -9.833 102.804 1.00 0.00 O ATOM 414 CB THR A 27 -237.556 -11.398 100.430 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.029 -11.605 99.091 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.319 -12.249 100.661 1.00 0.00 C ATOM 0 H THR A 27 -240.032 -10.830 100.177 1.00 0.00 H new ATOM 0 HA THR A 27 -238.565 -12.835 101.678 1.00 0.00 H new ATOM 0 HB THR A 27 -237.300 -10.348 100.571 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.325 -11.361 98.454 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.547 -11.971 99.943 1.00 0.00 H new ATOM 0 HG22 THR A 27 -235.949 -12.086 101.673 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.572 -13.301 100.533 1.00 0.00 H new ATOM 424 N ILE A 28 -237.812 -11.546 103.674 1.00 0.00 N ATOM 425 CA ILE A 28 -237.549 -10.888 104.935 1.00 0.00 C ATOM 426 C ILE A 28 -236.068 -10.527 105.019 1.00 0.00 C ATOM 427 O ILE A 28 -235.331 -10.724 104.053 1.00 0.00 O ATOM 428 CB ILE A 28 -237.938 -11.793 106.111 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.866 -12.858 106.356 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.285 -12.451 105.820 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.197 -13.781 107.494 1.00 0.00 C ATOM 0 H ILE A 28 -237.435 -12.491 103.609 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.150 -9.980 104.991 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.019 -11.186 107.013 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.732 -13.445 105.448 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -235.915 -12.366 106.560 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.563 -13.095 106.654 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.045 -11.681 105.686 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.210 -13.048 104.911 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.397 -14.511 107.614 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.302 -13.203 108.412 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.132 -14.299 107.282 1.00 0.00 H new ATOM 443 N ASN A 29 -235.626 -10.026 106.164 1.00 0.00 N ATOM 444 CA ASN A 29 -234.233 -9.645 106.335 1.00 0.00 C ATOM 445 C ASN A 29 -233.873 -9.565 107.808 1.00 0.00 C ATOM 446 O ASN A 29 -234.666 -9.101 108.628 1.00 0.00 O ATOM 447 CB ASN A 29 -233.942 -8.312 105.640 1.00 0.00 C ATOM 448 CG ASN A 29 -234.769 -7.164 106.186 1.00 0.00 C ATOM 449 OD1 ASN A 29 -235.873 -6.900 105.716 1.00 0.00 O ATOM 450 ND2 ASN A 29 -234.236 -6.465 107.171 1.00 0.00 N ATOM 0 H ASN A 29 -236.211 -9.875 106.986 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.616 -10.414 105.871 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -232.884 -8.075 105.751 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.135 -8.416 104.572 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -234.744 -5.675 107.568 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -233.316 -6.715 107.535 1.00 0.00 H new ATOM 457 N GLY A 30 -232.675 -10.030 108.135 1.00 0.00 N ATOM 458 CA GLY A 30 -232.220 -10.011 109.512 1.00 0.00 C ATOM 459 C GLY A 30 -233.020 -10.954 110.385 1.00 0.00 C ATOM 460 O GLY A 30 -233.049 -12.160 110.138 1.00 0.00 O ATOM 0 H GLY A 30 -232.008 -10.421 107.470 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.166 -10.287 109.550 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.298 -8.998 109.906 1.00 0.00 H new ATOM 464 N GLY A 31 -233.675 -10.407 111.397 1.00 0.00 N ATOM 465 CA GLY A 31 -234.488 -11.212 112.278 1.00 0.00 C ATOM 466 C GLY A 31 -235.895 -10.671 112.390 1.00 0.00 C ATOM 467 O GLY A 31 -236.295 -10.169 113.444 1.00 0.00 O ATOM 0 H GLY A 31 -233.656 -9.413 111.623 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.521 -12.237 111.908 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.031 -11.244 113.267 1.00 0.00 H new ATOM 471 N THR A 32 -236.637 -10.745 111.294 1.00 0.00 N ATOM 472 CA THR A 32 -238.010 -10.270 111.272 1.00 0.00 C ATOM 473 C THR A 32 -238.932 -11.149 112.102 1.00 0.00 C ATOM 474 O THR A 32 -238.796 -12.375 112.122 1.00 0.00 O ATOM 475 CB THR A 32 -238.577 -10.228 109.860 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.192 -11.415 109.167 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.106 -8.998 109.095 1.00 0.00 C ATOM 0 H THR A 32 -236.309 -11.130 110.408 1.00 0.00 H new ATOM 0 HA THR A 32 -237.971 -9.265 111.692 1.00 0.00 H new ATOM 0 HB THR A 32 -239.663 -10.169 109.929 1.00 0.00 H new ATOM 0 HG1 THR A 32 -238.870 -12.109 109.305 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.534 -9.007 108.092 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.428 -8.098 109.619 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.018 -9.007 109.025 1.00 0.00 H new ATOM 485 N LYS A 33 -239.886 -10.521 112.763 1.00 0.00 N ATOM 486 CA LYS A 33 -240.957 -11.246 113.412 1.00 0.00 C ATOM 487 C LYS A 33 -242.250 -10.996 112.662 1.00 0.00 C ATOM 488 O LYS A 33 -242.276 -10.175 111.746 1.00 0.00 O ATOM 489 CB LYS A 33 -241.093 -10.908 114.888 1.00 0.00 C ATOM 490 CG LYS A 33 -241.140 -9.439 115.190 1.00 0.00 C ATOM 491 CD LYS A 33 -239.751 -8.813 115.238 1.00 0.00 C ATOM 492 CE LYS A 33 -238.747 -9.689 115.988 1.00 0.00 C ATOM 493 NZ LYS A 33 -239.028 -9.768 117.447 1.00 0.00 N ATOM 0 H LYS A 33 -239.939 -9.507 112.864 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.715 -12.308 113.379 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -242.001 -11.374 115.272 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -240.255 -11.350 115.427 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -241.738 -8.933 114.432 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -241.640 -9.283 116.146 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -239.395 -8.645 114.222 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -239.811 -7.837 115.721 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -238.761 -10.693 115.565 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -237.743 -9.293 115.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -238.661 -10.665 117.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -238.565 -8.974 117.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -240.055 -9.720 117.606 1.00 0.00 H new ATOM 507 N ALA A 34 -243.310 -11.686 113.051 1.00 0.00 N ATOM 508 CA ALA A 34 -244.551 -11.701 112.282 1.00 0.00 C ATOM 509 C ALA A 34 -245.133 -10.312 112.015 1.00 0.00 C ATOM 510 O ALA A 34 -245.906 -10.141 111.086 1.00 0.00 O ATOM 511 CB ALA A 34 -245.575 -12.543 112.999 1.00 0.00 C ATOM 0 H ALA A 34 -243.338 -12.248 113.901 1.00 0.00 H new ATOM 0 HA ALA A 34 -244.304 -12.124 111.308 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.502 -12.555 112.426 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -245.200 -13.561 113.104 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.765 -12.123 113.987 1.00 0.00 H new ATOM 517 N LYS A 35 -244.784 -9.330 112.828 1.00 0.00 N ATOM 518 CA LYS A 35 -245.366 -7.993 112.669 1.00 0.00 C ATOM 519 C LYS A 35 -244.633 -7.210 111.590 1.00 0.00 C ATOM 520 O LYS A 35 -245.252 -6.690 110.659 1.00 0.00 O ATOM 521 CB LYS A 35 -245.425 -7.215 113.993 1.00 0.00 C ATOM 522 CG LYS A 35 -244.109 -7.095 114.737 1.00 0.00 C ATOM 523 CD LYS A 35 -244.262 -6.197 115.954 1.00 0.00 C ATOM 524 CE LYS A 35 -242.979 -6.103 116.757 1.00 0.00 C ATOM 525 NZ LYS A 35 -243.127 -5.199 117.925 1.00 0.00 N ATOM 0 H LYS A 35 -244.115 -9.421 113.593 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.399 -8.128 112.348 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -245.800 -6.212 113.789 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -246.150 -7.699 114.647 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.769 -8.083 115.048 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -243.345 -6.690 114.073 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -244.562 -5.200 115.633 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -245.060 -6.581 116.590 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -242.691 -7.097 117.100 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -242.175 -5.741 116.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -242.230 -5.160 118.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -243.377 -4.245 117.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -243.878 -5.558 118.549 1.00 0.00 H new ATOM 539 N GLN A 36 -243.308 -7.149 111.695 1.00 0.00 N ATOM 540 CA GLN A 36 -242.494 -6.571 110.641 1.00 0.00 C ATOM 541 C GLN A 36 -242.654 -7.385 109.373 1.00 0.00 C ATOM 542 O GLN A 36 -242.374 -6.914 108.272 1.00 0.00 O ATOM 543 CB GLN A 36 -241.019 -6.515 111.038 1.00 0.00 C ATOM 544 CG GLN A 36 -240.646 -5.272 111.828 1.00 0.00 C ATOM 545 CD GLN A 36 -241.195 -5.281 113.236 1.00 0.00 C ATOM 546 OE1 GLN A 36 -241.327 -6.338 113.853 1.00 0.00 O ATOM 547 NE2 GLN A 36 -241.544 -4.109 113.738 1.00 0.00 N ATOM 0 H GLN A 36 -242.781 -7.493 112.498 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.834 -5.549 110.472 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.778 -7.397 111.631 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.407 -6.559 110.137 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -239.560 -5.186 111.868 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -241.017 -4.391 111.305 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -241.415 -3.260 113.188 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -241.942 -4.054 114.676 1.00 0.00 H new ATOM 556 N LEU A 37 -243.060 -8.628 109.536 1.00 0.00 N ATOM 557 CA LEU A 37 -243.276 -9.488 108.409 1.00 0.00 C ATOM 558 C LEU A 37 -244.634 -9.328 107.782 1.00 0.00 C ATOM 559 O LEU A 37 -244.763 -9.431 106.567 1.00 0.00 O ATOM 560 CB LEU A 37 -243.039 -10.930 108.776 1.00 0.00 C ATOM 561 CG LEU A 37 -242.059 -11.549 107.832 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.689 -11.622 106.463 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.844 -10.660 107.769 1.00 0.00 C ATOM 0 H LEU A 37 -243.245 -9.058 110.442 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.548 -9.181 107.659 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.663 -10.996 109.797 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -243.980 -11.480 108.747 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.780 -12.549 108.164 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -241.986 -12.072 105.762 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.593 -12.230 106.510 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -242.944 -10.617 106.126 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.113 -11.091 107.085 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.135 -9.671 107.413 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.405 -10.573 108.763 1.00 0.00 H new ATOM 575 N LEU A 38 -245.646 -9.097 108.583 1.00 0.00 N ATOM 576 CA LEU A 38 -246.945 -8.810 108.034 1.00 0.00 C ATOM 577 C LEU A 38 -246.787 -7.640 107.072 1.00 0.00 C ATOM 578 O LEU A 38 -247.359 -7.632 105.991 1.00 0.00 O ATOM 579 CB LEU A 38 -247.952 -8.530 109.161 1.00 0.00 C ATOM 580 CG LEU A 38 -249.426 -8.502 108.744 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.932 -7.075 108.625 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.616 -9.250 107.429 1.00 0.00 C ATOM 0 H LEU A 38 -245.596 -9.102 109.602 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.344 -9.663 107.485 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.826 -9.290 109.932 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.704 -7.571 109.615 1.00 0.00 H new ATOM 0 HG LEU A 38 -250.010 -9.001 109.518 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -250.981 -7.084 108.328 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.832 -6.572 109.587 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.347 -6.543 107.875 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.668 -9.223 107.144 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -249.017 -8.777 106.651 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.300 -10.286 107.551 1.00 0.00 H new ATOM 594 N GLN A 39 -245.910 -6.718 107.458 1.00 0.00 N ATOM 595 CA GLN A 39 -245.442 -5.643 106.635 1.00 0.00 C ATOM 596 C GLN A 39 -244.858 -6.135 105.349 1.00 0.00 C ATOM 597 O GLN A 39 -245.232 -5.685 104.292 1.00 0.00 O ATOM 598 CB GLN A 39 -244.307 -5.018 107.387 1.00 0.00 C ATOM 599 CG GLN A 39 -243.824 -3.761 106.750 1.00 0.00 C ATOM 600 CD GLN A 39 -242.643 -3.137 107.469 1.00 0.00 C ATOM 601 OE1 GLN A 39 -242.476 -1.916 107.472 1.00 0.00 O ATOM 602 NE2 GLN A 39 -241.804 -3.969 108.074 1.00 0.00 N ATOM 0 H GLN A 39 -245.499 -6.712 108.391 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.273 -4.973 106.416 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.625 -4.805 108.408 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.483 -5.729 107.451 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.542 -3.970 105.718 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.642 -3.041 106.718 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -241.976 -4.974 108.049 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -240.987 -3.603 108.563 1.00 0.00 H new ATOM 611 N GLN A 40 -243.887 -7.015 105.468 1.00 0.00 N ATOM 612 CA GLN A 40 -243.203 -7.554 104.317 1.00 0.00 C ATOM 613 C GLN A 40 -244.187 -8.180 103.341 1.00 0.00 C ATOM 614 O GLN A 40 -243.997 -8.131 102.129 1.00 0.00 O ATOM 615 CB GLN A 40 -242.139 -8.553 104.770 1.00 0.00 C ATOM 616 CG GLN A 40 -240.802 -7.890 105.025 1.00 0.00 C ATOM 617 CD GLN A 40 -240.370 -7.070 103.831 1.00 0.00 C ATOM 618 OE1 GLN A 40 -239.639 -6.087 103.953 1.00 0.00 O ATOM 619 NE2 GLN A 40 -240.871 -7.452 102.669 1.00 0.00 N ATOM 0 H GLN A 40 -243.552 -7.374 106.362 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.705 -6.742 103.787 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.475 -9.051 105.680 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.021 -9.325 104.009 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.871 -7.250 105.905 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.050 -8.649 105.241 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -241.472 -8.274 102.618 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -240.656 -6.925 101.823 1.00 0.00 H new ATOM 628 N ILE A 41 -245.250 -8.726 103.890 1.00 0.00 N ATOM 629 CA ILE A 41 -246.323 -9.329 103.126 1.00 0.00 C ATOM 630 C ILE A 41 -247.208 -8.256 102.490 1.00 0.00 C ATOM 631 O ILE A 41 -247.670 -8.387 101.359 1.00 0.00 O ATOM 632 CB ILE A 41 -247.134 -10.238 104.069 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.449 -11.610 104.207 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.565 -10.407 103.585 1.00 0.00 C ATOM 635 CD1 ILE A 41 -244.925 -11.579 104.196 1.00 0.00 C ATOM 0 H ILE A 41 -245.397 -8.765 104.899 1.00 0.00 H new ATOM 0 HA ILE A 41 -245.912 -9.924 102.310 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.169 -9.758 105.047 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -246.780 -12.072 105.137 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.789 -12.251 103.394 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -249.108 -11.054 104.274 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -249.052 -9.433 103.542 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -248.563 -10.856 102.592 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.540 -12.593 104.299 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -244.577 -11.152 103.256 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.567 -10.969 105.026 1.00 0.00 H new ATOM 647 N LEU A 42 -247.430 -7.202 103.242 1.00 0.00 N ATOM 648 CA LEU A 42 -248.108 -6.011 102.759 1.00 0.00 C ATOM 649 C LEU A 42 -247.324 -5.376 101.634 1.00 0.00 C ATOM 650 O LEU A 42 -247.869 -4.842 100.672 1.00 0.00 O ATOM 651 CB LEU A 42 -248.204 -5.036 103.909 1.00 0.00 C ATOM 652 CG LEU A 42 -249.102 -5.545 105.020 1.00 0.00 C ATOM 653 CD1 LEU A 42 -248.616 -5.043 106.340 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.544 -5.134 104.783 1.00 0.00 C ATOM 0 H LEU A 42 -247.143 -7.143 104.219 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.097 -6.275 102.384 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.207 -4.848 104.308 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.586 -4.083 103.544 1.00 0.00 H new ATOM 0 HG LEU A 42 -249.065 -6.634 105.026 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.267 -5.413 107.132 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -247.599 -5.396 106.511 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -248.627 -3.953 106.341 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.168 -5.511 105.593 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.612 -4.047 104.749 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -250.890 -5.549 103.836 1.00 0.00 H new ATOM 666 N THR A 43 -246.031 -5.494 101.771 1.00 0.00 N ATOM 667 CA THR A 43 -245.085 -4.723 101.030 1.00 0.00 C ATOM 668 C THR A 43 -245.123 -5.037 99.545 1.00 0.00 C ATOM 669 O THR A 43 -244.575 -6.027 99.063 1.00 0.00 O ATOM 670 CB THR A 43 -243.673 -4.932 101.618 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.555 -4.213 102.851 1.00 0.00 O ATOM 672 CG2 THR A 43 -242.569 -4.499 100.675 1.00 0.00 C ATOM 0 H THR A 43 -245.600 -6.150 102.422 1.00 0.00 H new ATOM 0 HA THR A 43 -245.356 -3.671 101.123 1.00 0.00 H new ATOM 0 HB THR A 43 -243.553 -6.003 101.783 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.230 -4.535 103.484 1.00 0.00 H new ATOM 0 HG21 THR A 43 -241.601 -4.671 101.145 1.00 0.00 H new ATOM 0 HG22 THR A 43 -242.632 -5.076 99.752 1.00 0.00 H new ATOM 0 HG23 THR A 43 -242.679 -3.439 100.448 1.00 0.00 H new ATOM 823 N THR A 53 -253.535 -3.377 108.388 1.00 0.00 N ATOM 824 CA THR A 53 -254.503 -3.399 109.467 1.00 0.00 C ATOM 825 C THR A 53 -254.495 -4.726 110.246 1.00 0.00 C ATOM 826 O THR A 53 -253.446 -5.339 110.430 1.00 0.00 O ATOM 827 CB THR A 53 -255.910 -3.072 108.898 1.00 0.00 C ATOM 828 OG1 THR A 53 -256.864 -2.915 109.959 1.00 0.00 O ATOM 829 CG2 THR A 53 -256.390 -4.143 107.919 1.00 0.00 C ATOM 0 HA THR A 53 -254.223 -2.635 110.192 1.00 0.00 H new ATOM 0 HB THR A 53 -255.825 -2.132 108.353 1.00 0.00 H new ATOM 0 HG1 THR A 53 -257.744 -2.708 109.580 1.00 0.00 H new ATOM 0 HG21 THR A 53 -257.378 -3.876 107.544 1.00 0.00 H new ATOM 0 HG22 THR A 53 -255.692 -4.213 107.085 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.443 -5.105 108.429 1.00 0.00 H new ATOM 837 N ASP A 54 -255.684 -5.132 110.696 1.00 0.00 N ATOM 838 CA ASP A 54 -255.922 -6.268 111.606 1.00 0.00 C ATOM 839 C ASP A 54 -255.508 -7.627 111.055 1.00 0.00 C ATOM 840 O ASP A 54 -255.945 -8.668 111.541 1.00 0.00 O ATOM 841 CB ASP A 54 -257.396 -6.323 111.879 1.00 0.00 C ATOM 842 CG ASP A 54 -257.881 -5.147 112.701 1.00 0.00 C ATOM 843 OD1 ASP A 54 -257.443 -5.009 113.861 1.00 0.00 O ATOM 844 OD2 ASP A 54 -258.665 -4.336 112.169 1.00 0.00 O ATOM 0 H ASP A 54 -256.548 -4.662 110.428 1.00 0.00 H new ATOM 0 HA ASP A 54 -255.311 -6.092 112.491 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -257.936 -6.347 110.933 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -257.630 -7.249 112.404 1.00 0.00 H new ATOM 849 N TYR A 55 -254.715 -7.604 110.036 1.00 0.00 N ATOM 850 CA TYR A 55 -254.169 -8.819 109.454 1.00 0.00 C ATOM 851 C TYR A 55 -253.200 -9.518 110.400 1.00 0.00 C ATOM 852 O TYR A 55 -252.476 -8.876 111.159 1.00 0.00 O ATOM 853 CB TYR A 55 -253.439 -8.492 108.163 1.00 0.00 C ATOM 854 CG TYR A 55 -254.339 -8.048 107.049 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.389 -8.846 106.643 1.00 0.00 C ATOM 856 CD2 TYR A 55 -254.134 -6.842 106.397 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.216 -8.466 105.618 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.959 -6.446 105.366 1.00 0.00 C ATOM 859 CZ TYR A 55 -256.001 -7.263 104.978 1.00 0.00 C ATOM 860 OH TYR A 55 -256.819 -6.876 103.943 1.00 0.00 O ATOM 0 H TYR A 55 -254.417 -6.747 109.570 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.007 -9.489 109.261 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.708 -7.708 108.360 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -252.884 -9.372 107.839 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.562 -9.788 107.142 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -253.317 -6.204 106.701 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.032 -9.105 105.313 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.791 -5.504 104.866 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.529 -6.003 103.606 1.00 0.00 H new ATOM 870 N PHE A 56 -253.200 -10.842 110.338 1.00 0.00 N ATOM 871 CA PHE A 56 -252.225 -11.654 111.053 1.00 0.00 C ATOM 872 C PHE A 56 -252.030 -12.986 110.332 1.00 0.00 C ATOM 873 O PHE A 56 -252.669 -13.242 109.322 1.00 0.00 O ATOM 874 CB PHE A 56 -252.632 -11.871 112.522 1.00 0.00 C ATOM 875 CG PHE A 56 -253.903 -12.648 112.724 1.00 0.00 C ATOM 876 CD1 PHE A 56 -255.133 -12.020 112.641 1.00 0.00 C ATOM 877 CD2 PHE A 56 -253.864 -14.006 113.007 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.302 -12.729 112.833 1.00 0.00 C ATOM 879 CE2 PHE A 56 -255.032 -14.721 113.200 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.254 -14.079 113.111 1.00 0.00 C ATOM 0 H PHE A 56 -253.873 -11.382 109.793 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.276 -11.118 111.064 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -251.822 -12.390 113.034 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.740 -10.898 113.000 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -255.179 -10.963 112.424 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -252.911 -14.510 113.077 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -257.255 -12.226 112.765 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -254.990 -15.778 113.420 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.169 -14.634 113.259 1.00 0.00 H new ATOM 890 N LEU A 57 -251.140 -13.821 110.842 1.00 0.00 N ATOM 891 CA LEU A 57 -250.777 -15.072 110.177 1.00 0.00 C ATOM 892 C LEU A 57 -251.373 -16.233 110.951 1.00 0.00 C ATOM 893 O LEU A 57 -251.856 -16.044 112.063 1.00 0.00 O ATOM 894 CB LEU A 57 -249.243 -15.236 110.106 1.00 0.00 C ATOM 895 CG LEU A 57 -248.462 -14.194 109.287 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.790 -12.790 109.743 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.963 -14.426 109.410 1.00 0.00 C ATOM 0 H LEU A 57 -250.649 -13.658 111.721 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.167 -15.054 109.159 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.855 -15.225 111.124 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -249.027 -16.221 109.693 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.759 -14.306 108.244 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.225 -12.073 109.148 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.857 -12.606 109.616 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.525 -12.678 110.794 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.430 -13.678 108.823 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.667 -14.345 110.456 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.717 -15.421 109.039 1.00 0.00 H new ATOM 909 N MET A 58 -251.381 -17.418 110.365 1.00 0.00 N ATOM 910 CA MET A 58 -251.762 -18.614 111.104 1.00 0.00 C ATOM 911 C MET A 58 -251.339 -19.873 110.367 1.00 0.00 C ATOM 912 O MET A 58 -251.436 -19.938 109.144 1.00 0.00 O ATOM 913 CB MET A 58 -253.272 -18.648 111.384 1.00 0.00 C ATOM 914 CG MET A 58 -254.013 -19.771 110.676 1.00 0.00 C ATOM 915 SD MET A 58 -255.535 -20.218 111.514 1.00 0.00 S ATOM 916 CE MET A 58 -256.359 -18.639 111.455 1.00 0.00 C ATOM 0 H MET A 58 -251.131 -17.580 109.389 1.00 0.00 H new ATOM 0 HA MET A 58 -251.239 -18.579 112.060 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.429 -18.745 112.458 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.707 -17.695 111.084 1.00 0.00 H new ATOM 0 HG2 MET A 58 -254.240 -19.466 109.654 1.00 0.00 H new ATOM 0 HG3 MET A 58 -253.366 -20.646 110.611 1.00 0.00 H new ATOM 0 HE1 MET A 58 -257.433 -18.793 111.346 1.00 0.00 H new ATOM 0 HE2 MET A 58 -256.163 -18.091 112.377 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.987 -18.066 110.606 1.00 0.00 H new ATOM 926 N GLU A 59 -250.843 -20.846 111.115 1.00 0.00 N ATOM 927 CA GLU A 59 -250.622 -22.175 110.602 1.00 0.00 C ATOM 928 C GLU A 59 -251.847 -23.041 110.865 1.00 0.00 C ATOM 929 O GLU A 59 -252.073 -23.482 111.995 1.00 0.00 O ATOM 930 CB GLU A 59 -249.409 -22.772 111.294 1.00 0.00 C ATOM 931 CG GLU A 59 -248.394 -23.344 110.342 1.00 0.00 C ATOM 932 CD GLU A 59 -248.506 -24.849 110.192 1.00 0.00 C ATOM 933 OE1 GLU A 59 -247.899 -25.576 111.010 1.00 0.00 O ATOM 934 OE2 GLU A 59 -249.204 -25.318 109.265 1.00 0.00 O ATOM 0 H GLU A 59 -250.584 -20.729 112.095 1.00 0.00 H new ATOM 0 HA GLU A 59 -250.448 -22.132 109.527 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -248.932 -22.003 111.901 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -249.739 -23.557 111.975 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -248.516 -22.877 109.365 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -247.393 -23.093 110.692 1.00 0.00 H new ATOM 1262 N ARG A 78 -253.398 -22.419 114.757 1.00 0.00 N ATOM 1263 CA ARG A 78 -252.286 -21.754 115.415 1.00 0.00 C ATOM 1264 C ARG A 78 -252.178 -20.316 114.921 1.00 0.00 C ATOM 1265 O ARG A 78 -251.800 -20.072 113.776 1.00 0.00 O ATOM 1266 CB ARG A 78 -250.989 -22.512 115.131 1.00 0.00 C ATOM 1267 CG ARG A 78 -249.866 -22.202 116.105 1.00 0.00 C ATOM 1268 CD ARG A 78 -248.602 -22.974 115.756 1.00 0.00 C ATOM 1269 NE ARG A 78 -248.854 -24.407 115.584 1.00 0.00 N ATOM 1270 CZ ARG A 78 -248.138 -25.373 116.163 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -247.193 -25.077 117.047 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -248.385 -26.643 115.874 1.00 0.00 N ATOM 0 HA ARG A 78 -252.458 -21.743 116.491 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -251.193 -23.582 115.156 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -250.656 -22.275 114.121 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -249.656 -21.132 116.093 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -250.180 -22.454 117.118 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -248.174 -22.570 114.838 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -247.862 -22.830 116.543 1.00 0.00 H new ATOM 0 HE ARG A 78 -249.629 -24.685 114.981 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -247.008 -24.104 117.290 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -246.652 -25.823 117.484 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -249.122 -26.881 115.210 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -247.838 -27.382 116.316 1.00 0.00 H new ATOM 1286 N ALA A 79 -252.504 -19.371 115.792 1.00 0.00 N ATOM 1287 CA ALA A 79 -252.553 -17.963 115.415 1.00 0.00 C ATOM 1288 C ALA A 79 -251.177 -17.310 115.529 1.00 0.00 C ATOM 1289 O ALA A 79 -250.442 -17.550 116.486 1.00 0.00 O ATOM 1290 CB ALA A 79 -253.560 -17.222 116.282 1.00 0.00 C ATOM 0 H ALA A 79 -252.739 -19.554 116.768 1.00 0.00 H new ATOM 0 HA ALA A 79 -252.868 -17.904 114.373 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -253.588 -16.172 115.991 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -254.548 -17.662 116.148 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -253.267 -17.301 117.329 1.00 0.00 H new ATOM 1296 N ILE A 80 -250.833 -16.499 114.539 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.560 -15.793 114.517 1.00 0.00 C ATOM 1298 C ILE A 80 -249.742 -14.310 114.798 1.00 0.00 C ATOM 1299 O ILE A 80 -250.367 -13.584 114.025 1.00 0.00 O ATOM 1300 CB ILE A 80 -248.832 -15.977 113.173 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.423 -17.434 112.981 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.606 -15.083 113.104 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.414 -17.901 114.002 1.00 0.00 C ATOM 0 H ILE A 80 -251.426 -16.312 113.731 1.00 0.00 H new ATOM 0 HA ILE A 80 -248.948 -16.228 115.307 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.518 -15.696 112.374 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.310 -18.065 113.039 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -248.006 -17.560 111.982 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.104 -15.227 112.147 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -247.910 -14.041 113.202 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -246.923 -15.339 113.914 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.162 -18.945 113.814 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.513 -17.291 113.929 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -247.837 -17.805 115.002 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.210 -13.882 115.927 1.00 0.00 N ATOM 1316 CA GLY A 81 -249.135 -12.475 116.224 1.00 0.00 C ATOM 1317 C GLY A 81 -247.700 -11.999 116.173 1.00 0.00 C ATOM 1318 O GLY A 81 -246.812 -12.772 115.827 1.00 0.00 O ATOM 0 H GLY A 81 -248.826 -14.492 116.649 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.736 -11.914 115.509 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -249.553 -12.283 117.212 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.435 -10.734 116.516 1.00 0.00 N ATOM 1323 CA PRO A 82 -246.085 -10.181 116.528 1.00 0.00 C ATOM 1324 C PRO A 82 -245.138 -10.951 117.438 1.00 0.00 C ATOM 1325 O PRO A 82 -243.933 -11.022 117.185 1.00 0.00 O ATOM 1326 CB PRO A 82 -246.287 -8.763 117.050 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.695 -8.449 116.699 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.421 -9.737 116.912 1.00 0.00 C ATOM 0 HA PRO A 82 -245.624 -10.229 115.542 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -246.122 -8.706 118.126 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -245.594 -8.063 116.583 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -248.096 -7.657 117.331 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -247.782 -8.109 115.667 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.727 -9.862 117.951 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.324 -9.798 116.304 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.697 -11.518 118.495 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.938 -12.304 119.447 1.00 0.00 C ATOM 1338 C GLU A 83 -244.469 -13.610 118.817 1.00 0.00 C ATOM 1339 O GLU A 83 -243.323 -14.023 119.000 1.00 0.00 O ATOM 1340 CB GLU A 83 -245.799 -12.572 120.676 1.00 0.00 C ATOM 1341 CG GLU A 83 -246.203 -11.300 121.399 1.00 0.00 C ATOM 1342 CD GLU A 83 -247.163 -11.545 122.536 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -246.703 -11.932 123.629 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -248.378 -11.331 122.351 1.00 0.00 O ATOM 0 H GLU A 83 -246.690 -11.445 118.715 1.00 0.00 H new ATOM 0 HA GLU A 83 -244.051 -11.747 119.747 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -246.696 -13.114 120.375 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -245.252 -13.217 121.363 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -245.310 -10.809 121.785 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -246.661 -10.614 120.686 1.00 0.00 H new ATOM 1351 N GLU A 84 -245.366 -14.255 118.088 1.00 0.00 N ATOM 1352 CA GLU A 84 -245.045 -15.452 117.340 1.00 0.00 C ATOM 1353 C GLU A 84 -244.079 -15.151 116.197 1.00 0.00 C ATOM 1354 O GLU A 84 -244.484 -14.797 115.088 1.00 0.00 O ATOM 1355 CB GLU A 84 -246.322 -16.070 116.799 1.00 0.00 C ATOM 1356 CG GLU A 84 -247.223 -16.644 117.878 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.690 -15.627 118.900 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.187 -14.558 118.496 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -247.548 -15.893 120.112 1.00 0.00 O ATOM 0 H GLU A 84 -246.338 -13.959 118.001 1.00 0.00 H new ATOM 0 HA GLU A 84 -244.554 -16.156 118.012 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.874 -15.314 116.241 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -246.063 -16.861 116.095 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -248.095 -17.095 117.406 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.691 -17.443 118.394 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.795 -15.277 116.476 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.771 -14.997 115.487 1.00 0.00 C ATOM 1368 C GLU A 85 -241.621 -16.177 114.531 1.00 0.00 C ATOM 1369 O GLU A 85 -241.203 -17.268 114.920 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.457 -14.668 116.190 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.579 -13.469 117.117 1.00 0.00 C ATOM 1372 CD GLU A 85 -239.297 -13.159 117.856 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.404 -12.521 117.263 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -239.184 -13.531 119.041 1.00 0.00 O ATOM 0 H GLU A 85 -242.435 -15.573 117.384 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.063 -14.132 114.892 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -240.128 -15.535 116.763 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.688 -14.469 115.443 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -240.877 -12.596 116.536 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -241.373 -13.656 117.840 1.00 0.00 H new ATOM 1381 N ILE A 86 -241.967 -15.937 113.269 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.052 -16.994 112.262 1.00 0.00 C ATOM 1383 C ILE A 86 -240.711 -17.657 111.993 1.00 0.00 C ATOM 1384 O ILE A 86 -240.662 -18.806 111.553 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.637 -16.469 110.941 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.764 -15.348 110.362 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -244.049 -15.977 111.188 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -242.206 -14.884 108.990 1.00 0.00 C ATOM 0 H ILE A 86 -242.196 -15.008 112.915 1.00 0.00 H new ATOM 0 HA ILE A 86 -242.722 -17.746 112.678 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.657 -17.278 110.210 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.777 -14.499 111.045 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.732 -15.695 110.304 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.472 -15.603 110.256 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.661 -16.799 111.560 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -244.031 -15.175 111.926 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -241.544 -14.091 108.643 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -242.166 -15.721 108.293 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -243.227 -14.506 109.045 1.00 0.00 H new ATOM 1400 N MET A 87 -239.623 -16.947 112.260 1.00 0.00 N ATOM 1401 CA MET A 87 -238.298 -17.534 112.128 1.00 0.00 C ATOM 1402 C MET A 87 -238.153 -18.709 113.082 1.00 0.00 C ATOM 1403 O MET A 87 -237.514 -19.712 112.758 1.00 0.00 O ATOM 1404 CB MET A 87 -237.208 -16.494 112.395 1.00 0.00 C ATOM 1405 CG MET A 87 -237.017 -15.479 111.273 1.00 0.00 C ATOM 1406 SD MET A 87 -236.325 -16.198 109.761 1.00 0.00 S ATOM 1407 CE MET A 87 -237.761 -16.971 109.011 1.00 0.00 C ATOM 0 H MET A 87 -239.631 -15.974 112.566 1.00 0.00 H new ATOM 0 HA MET A 87 -238.180 -17.890 111.104 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.450 -15.960 113.314 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.264 -17.011 112.565 1.00 0.00 H new ATOM 0 HG2 MET A 87 -237.978 -15.020 111.041 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.359 -14.683 111.622 1.00 0.00 H new ATOM 0 HE1 MET A 87 -237.679 -18.054 109.099 1.00 0.00 H new ATOM 0 HE2 MET A 87 -238.664 -16.633 109.520 1.00 0.00 H new ATOM 0 HE3 MET A 87 -237.814 -16.696 107.958 1.00 0.00 H new ATOM 1417 N GLN A 88 -238.806 -18.601 114.237 1.00 0.00 N ATOM 1418 CA GLN A 88 -238.725 -19.643 115.253 1.00 0.00 C ATOM 1419 C GLN A 88 -239.625 -20.786 114.849 1.00 0.00 C ATOM 1420 O GLN A 88 -239.333 -21.955 115.086 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.149 -19.114 116.620 1.00 0.00 C ATOM 1422 CG GLN A 88 -238.295 -17.959 117.094 1.00 0.00 C ATOM 1423 CD GLN A 88 -238.736 -17.406 118.432 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -237.919 -16.911 119.206 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -240.028 -17.488 118.717 1.00 0.00 N ATOM 0 H GLN A 88 -239.393 -17.806 114.490 1.00 0.00 H new ATOM 0 HA GLN A 88 -237.692 -19.982 115.329 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.190 -18.795 116.574 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.096 -19.922 117.349 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -237.258 -18.287 117.167 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -238.326 -17.163 116.350 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -240.673 -17.906 118.046 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -240.377 -17.133 119.607 1.00 0.00 H new ATOM 1434 N ILE A 89 -240.726 -20.407 114.229 1.00 0.00 N ATOM 1435 CA ILE A 89 -241.710 -21.348 113.737 1.00 0.00 C ATOM 1436 C ILE A 89 -241.096 -22.282 112.708 1.00 0.00 C ATOM 1437 O ILE A 89 -241.186 -23.500 112.819 1.00 0.00 O ATOM 1438 CB ILE A 89 -242.885 -20.598 113.096 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.396 -19.539 114.073 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -243.998 -21.562 112.703 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -243.726 -20.075 115.453 1.00 0.00 C ATOM 0 H ILE A 89 -240.963 -19.431 114.052 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.066 -21.935 114.583 1.00 0.00 H new ATOM 0 HB ILE A 89 -242.544 -20.109 112.184 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -242.643 -18.756 114.170 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.288 -19.073 113.653 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -244.819 -21.005 112.251 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -243.614 -22.288 111.986 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.358 -22.083 113.590 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.081 -19.261 116.084 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.502 -20.836 115.372 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -242.832 -20.514 115.896 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.436 -21.690 111.729 1.00 0.00 N ATOM 1454 CA LEU A 90 -239.879 -22.435 110.610 1.00 0.00 C ATOM 1455 C LEU A 90 -238.647 -23.245 111.011 1.00 0.00 C ATOM 1456 O LEU A 90 -238.346 -24.264 110.390 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.552 -21.467 109.477 1.00 0.00 C ATOM 1458 CG LEU A 90 -240.771 -20.739 108.906 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -240.346 -19.545 108.075 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -241.616 -21.691 108.075 1.00 0.00 C ATOM 0 H LEU A 90 -240.271 -20.684 111.685 1.00 0.00 H new ATOM 0 HA LEU A 90 -240.624 -23.155 110.273 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -238.838 -20.728 109.840 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -239.061 -22.017 108.674 1.00 0.00 H new ATOM 0 HG LEU A 90 -241.373 -20.376 109.739 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -241.230 -19.044 107.680 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -239.783 -18.850 108.698 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -239.720 -19.881 107.249 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.479 -21.158 107.676 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -241.019 -22.083 107.251 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -241.957 -22.516 108.701 1.00 0.00 H new ATOM 1472 N SER A 91 -237.933 -22.803 112.041 1.00 0.00 N ATOM 1473 CA SER A 91 -236.760 -23.538 112.503 1.00 0.00 C ATOM 1474 C SER A 91 -237.150 -24.669 113.456 1.00 0.00 C ATOM 1475 O SER A 91 -236.424 -25.655 113.593 1.00 0.00 O ATOM 1476 CB SER A 91 -235.775 -22.586 113.187 1.00 0.00 C ATOM 1477 OG SER A 91 -236.401 -21.867 114.235 1.00 0.00 O ATOM 0 H SER A 91 -238.141 -21.953 112.565 1.00 0.00 H new ATOM 0 HA SER A 91 -236.280 -23.984 111.632 1.00 0.00 H new ATOM 0 HB2 SER A 91 -234.933 -23.153 113.584 1.00 0.00 H new ATOM 0 HB3 SER A 91 -235.371 -21.888 112.454 1.00 0.00 H new ATOM 0 HG SER A 91 -236.840 -21.071 113.869 1.00 0.00 H new ATOM 1658 N ILE A 103 -249.764 -21.068 105.963 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.885 -19.810 106.664 1.00 0.00 C ATOM 1660 C ILE A 103 -250.890 -18.930 105.948 1.00 0.00 C ATOM 1661 O ILE A 103 -250.714 -18.591 104.774 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.539 -19.063 106.796 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.621 -19.797 107.778 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.767 -17.621 107.243 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.397 -19.000 108.170 1.00 0.00 C ATOM 0 HA ILE A 103 -250.223 -20.035 107.675 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.054 -19.042 105.820 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -248.187 -20.045 108.676 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -247.304 -20.739 107.331 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -247.808 -17.111 107.330 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.386 -17.106 106.508 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.270 -17.615 108.210 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.793 -19.581 108.867 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.809 -18.775 107.280 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.706 -18.069 108.646 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.942 -18.573 106.651 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.970 -17.749 106.074 1.00 0.00 C ATOM 1679 C VAL A 104 -252.767 -16.337 106.519 1.00 0.00 C ATOM 1680 O VAL A 104 -252.518 -16.084 107.697 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.408 -18.146 106.494 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -255.272 -18.395 105.272 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.426 -19.335 107.410 1.00 0.00 C ATOM 0 H VAL A 104 -252.104 -18.842 107.621 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.884 -17.878 104.995 1.00 0.00 H new ATOM 0 HB VAL A 104 -254.823 -17.307 107.053 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -256.278 -18.673 105.588 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -255.318 -17.489 104.668 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -254.842 -19.203 104.681 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.456 -19.574 107.676 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.974 -20.189 106.906 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -253.862 -19.106 108.314 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.849 -15.421 105.595 1.00 0.00 N ATOM 1694 CA LEU A 105 -253.025 -14.057 105.972 1.00 0.00 C ATOM 1695 C LEU A 105 -254.476 -13.924 106.360 1.00 0.00 C ATOM 1696 O LEU A 105 -255.365 -13.923 105.509 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.716 -13.130 104.814 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.136 -11.796 105.225 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -250.815 -12.032 105.938 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.967 -10.902 104.004 1.00 0.00 C ATOM 0 H LEU A 105 -252.797 -15.595 104.591 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.354 -13.786 106.787 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -252.015 -13.627 104.143 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -253.631 -12.957 104.248 1.00 0.00 H new ATOM 0 HG LEU A 105 -252.812 -11.285 105.910 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.388 -11.075 106.239 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -250.983 -12.648 106.821 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.125 -12.542 105.266 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.549 -9.943 104.310 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -251.294 -11.381 103.293 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.937 -10.741 103.534 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.707 -13.855 107.636 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.040 -13.787 108.153 1.00 0.00 C ATOM 1714 C LYS A 106 -256.380 -12.339 108.455 1.00 0.00 C ATOM 1715 O LYS A 106 -255.545 -11.449 108.291 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.173 -14.622 109.421 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.271 -16.116 109.158 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.508 -16.466 108.334 1.00 0.00 C ATOM 1719 CE LYS A 106 -257.716 -17.973 108.236 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.890 -18.328 107.390 1.00 0.00 N ATOM 0 H LYS A 106 -253.977 -13.844 108.348 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.729 -14.186 107.409 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.314 -14.430 110.064 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.059 -14.299 109.968 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.377 -16.452 108.633 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.303 -16.651 110.107 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.387 -16.006 108.785 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.408 -16.047 107.333 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -256.820 -18.435 107.822 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -257.854 -18.384 109.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -258.991 -19.362 107.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.751 -17.910 107.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.749 -17.960 106.428 1.00 0.00 H new ATOM 1734 N THR A 107 -257.583 -12.107 108.918 1.00 0.00 N ATOM 1735 CA THR A 107 -257.979 -10.819 109.378 1.00 0.00 C ATOM 1736 C THR A 107 -258.469 -11.019 110.800 1.00 0.00 C ATOM 1737 O THR A 107 -258.765 -12.146 111.197 1.00 0.00 O ATOM 1738 CB THR A 107 -259.119 -10.224 108.522 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.283 -11.048 108.615 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.709 -10.105 107.064 1.00 0.00 C ATOM 0 H THR A 107 -258.312 -12.817 108.983 1.00 0.00 H new ATOM 0 HA THR A 107 -257.143 -10.123 109.314 1.00 0.00 H new ATOM 0 HB THR A 107 -259.337 -9.228 108.906 1.00 0.00 H new ATOM 0 HG1 THR A 107 -261.001 -10.662 108.071 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.532 -9.683 106.488 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.838 -9.454 106.983 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.462 -11.092 106.674 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.550 -9.958 111.549 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.127 -9.992 112.897 1.00 0.00 C ATOM 1750 C GLN A 108 -260.654 -10.100 112.817 1.00 0.00 C ATOM 1751 O GLN A 108 -261.390 -9.481 113.589 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.705 -8.751 113.693 1.00 0.00 C ATOM 1753 CG GLN A 108 -257.369 -8.901 114.412 1.00 0.00 C ATOM 1754 CD GLN A 108 -257.403 -9.942 115.520 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -258.136 -10.928 115.449 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -256.613 -9.727 116.559 1.00 0.00 N ATOM 0 H GLN A 108 -258.223 -9.036 111.259 1.00 0.00 H new ATOM 0 HA GLN A 108 -258.749 -10.871 113.419 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -258.648 -7.899 113.015 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -259.478 -8.523 114.427 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -256.602 -9.175 113.688 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -257.080 -7.939 114.834 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -256.018 -8.899 116.585 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -256.599 -10.389 117.334 1.00 0.00 H new