USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=12 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 51:sc= 0.446 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= -0.033 USER MOD Single : A 15 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.061) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0858 USER MOD Single : A 29 ASN : amide:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 32 THR OG1 : rot -79:sc= -4.27! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -3.32! C(o=-3.3!,f=-9.6!) USER MOD Single : A 39 GLN : amide:sc= -0.637! K(o=-0.64!,f=-0.03) USER MOD Single : A 40 GLN : amide:sc= -3.07! K(o=-3.1!,f=-0.91) USER MOD Single : A 43 THR OG1 : rot 55:sc= 1.22 USER MOD Single : A 53 THR OG1 : rot -124:sc= 1.22 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 169:sc= -5.42! (180deg=-6.24!) USER MOD Single : A 87 MET CE :methyl -123:sc= -3.79! (180deg=-5.68!) USER MOD Single : A 88 GLN : amide:sc= -2.2! K(o=-2.2!,f=-0.9) USER MOD Single : A 91 SER OG : rot -78:sc= 1.3 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= -0.999 K(o=-1,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.939 -13.069 104.605 1.00 0.00 N ATOM 134 CA THR A 9 -233.155 -12.865 103.845 1.00 0.00 C ATOM 135 C THR A 9 -233.806 -14.201 103.472 1.00 0.00 C ATOM 136 O THR A 9 -233.362 -14.894 102.557 1.00 0.00 O ATOM 137 CB THR A 9 -232.864 -12.044 102.571 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.829 -12.672 101.799 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.435 -10.627 102.925 1.00 0.00 C ATOM 0 HA THR A 9 -233.852 -12.310 104.473 1.00 0.00 H new ATOM 0 HB THR A 9 -233.782 -12.001 101.984 1.00 0.00 H new ATOM 0 HG1 THR A 9 -232.052 -13.616 101.660 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.236 -10.068 102.011 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.231 -10.135 103.485 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.531 -10.662 103.533 1.00 0.00 H new ATOM 147 N HIS A 10 -234.835 -14.577 104.215 1.00 0.00 N ATOM 148 CA HIS A 10 -235.615 -15.772 103.905 1.00 0.00 C ATOM 149 C HIS A 10 -236.971 -15.366 103.361 1.00 0.00 C ATOM 150 O HIS A 10 -237.509 -14.343 103.749 1.00 0.00 O ATOM 151 CB HIS A 10 -235.810 -16.652 105.146 1.00 0.00 C ATOM 152 CG HIS A 10 -234.570 -17.350 105.624 1.00 0.00 C ATOM 153 ND1 HIS A 10 -234.430 -18.720 105.594 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.422 -16.871 106.165 1.00 0.00 C ATOM 155 CE1 HIS A 10 -233.257 -19.055 106.098 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.625 -17.953 106.448 1.00 0.00 N ATOM 0 H HIS A 10 -235.153 -14.071 105.042 1.00 0.00 H new ATOM 0 HA HIS A 10 -235.067 -16.348 103.160 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -236.197 -16.033 105.956 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.570 -17.402 104.927 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.180 -15.833 106.340 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -232.879 -20.061 106.205 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.694 -17.910 106.862 1.00 0.00 H new ATOM 165 N ARG A 11 -237.522 -16.138 102.452 1.00 0.00 N ATOM 166 CA ARG A 11 -238.819 -15.837 101.931 1.00 0.00 C ATOM 167 C ARG A 11 -239.872 -16.771 102.502 1.00 0.00 C ATOM 168 O ARG A 11 -239.600 -17.938 102.784 1.00 0.00 O ATOM 169 CB ARG A 11 -238.799 -15.894 100.423 1.00 0.00 C ATOM 170 CG ARG A 11 -239.595 -14.759 99.872 1.00 0.00 C ATOM 171 CD ARG A 11 -239.125 -14.329 98.501 1.00 0.00 C ATOM 172 NE ARG A 11 -239.104 -15.419 97.533 1.00 0.00 N ATOM 173 CZ ARG A 11 -238.582 -15.306 96.316 1.00 0.00 C ATOM 174 NH1 ARG A 11 -238.065 -14.147 95.918 1.00 0.00 N ATOM 175 NH2 ARG A 11 -238.577 -16.351 95.503 1.00 0.00 N ATOM 0 H ARG A 11 -237.087 -16.975 102.064 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.085 -14.825 102.235 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.773 -15.842 100.060 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.211 -16.842 100.079 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.644 -15.049 99.818 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.533 -13.912 100.555 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -239.777 -13.537 98.132 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -238.124 -13.906 98.583 1.00 0.00 H new ATOM 0 HE ARG A 11 -239.511 -16.314 97.804 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -238.069 -13.344 96.547 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -237.665 -14.061 94.984 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -238.973 -17.239 95.811 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -238.177 -16.268 94.568 1.00 0.00 H new ATOM 189 N VAL A 12 -241.072 -16.244 102.670 1.00 0.00 N ATOM 190 CA VAL A 12 -242.158 -16.981 103.286 1.00 0.00 C ATOM 191 C VAL A 12 -243.401 -16.909 102.403 1.00 0.00 C ATOM 192 O VAL A 12 -243.916 -15.823 102.122 1.00 0.00 O ATOM 193 CB VAL A 12 -242.453 -16.437 104.706 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.529 -14.916 104.703 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.732 -17.042 105.268 1.00 0.00 C ATOM 0 H VAL A 12 -241.319 -15.297 102.384 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.863 -18.026 103.386 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.628 -16.732 105.354 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.737 -14.560 105.712 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.579 -14.505 104.362 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.326 -14.593 104.033 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.915 -16.643 106.266 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.570 -16.791 104.617 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.628 -18.126 105.324 1.00 0.00 H new ATOM 205 N THR A 13 -243.840 -18.061 101.914 1.00 0.00 N ATOM 206 CA THR A 13 -244.977 -18.119 101.010 1.00 0.00 C ATOM 207 C THR A 13 -246.273 -17.910 101.793 1.00 0.00 C ATOM 208 O THR A 13 -246.629 -18.723 102.647 1.00 0.00 O ATOM 209 CB THR A 13 -245.067 -19.484 100.303 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.801 -19.828 99.718 1.00 0.00 O ATOM 211 CG2 THR A 13 -246.150 -19.451 99.231 1.00 0.00 C ATOM 0 H THR A 13 -243.425 -18.967 102.129 1.00 0.00 H new ATOM 0 HA THR A 13 -244.840 -17.335 100.265 1.00 0.00 H new ATOM 0 HB THR A 13 -245.327 -20.242 101.042 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.872 -20.698 99.273 1.00 0.00 H new ATOM 0 HG21 THR A 13 -246.204 -20.422 98.738 1.00 0.00 H new ATOM 0 HG22 THR A 13 -247.111 -19.224 99.692 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.910 -18.683 98.495 1.00 0.00 H new ATOM 219 N VAL A 14 -246.975 -16.837 101.507 1.00 0.00 N ATOM 220 CA VAL A 14 -248.183 -16.510 102.239 1.00 0.00 C ATOM 221 C VAL A 14 -249.416 -16.828 101.400 1.00 0.00 C ATOM 222 O VAL A 14 -249.581 -16.308 100.297 1.00 0.00 O ATOM 223 CB VAL A 14 -248.167 -15.027 102.642 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.269 -14.708 103.635 1.00 0.00 C ATOM 225 CG2 VAL A 14 -246.810 -14.662 103.216 1.00 0.00 C ATOM 0 H VAL A 14 -246.732 -16.173 100.772 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.223 -17.116 103.144 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.349 -14.430 101.748 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.227 -13.651 103.898 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.238 -14.933 103.188 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.135 -15.310 104.533 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -246.806 -13.609 103.499 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -246.610 -15.275 104.095 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.038 -14.839 102.467 1.00 0.00 H new ATOM 235 N HIS A 15 -250.275 -17.702 101.920 1.00 0.00 N ATOM 236 CA HIS A 15 -251.430 -18.178 101.183 1.00 0.00 C ATOM 237 C HIS A 15 -252.661 -17.332 101.463 1.00 0.00 C ATOM 238 O HIS A 15 -253.707 -17.531 100.852 1.00 0.00 O ATOM 239 CB HIS A 15 -251.727 -19.619 101.571 1.00 0.00 C ATOM 240 CG HIS A 15 -251.952 -20.495 100.388 1.00 0.00 C ATOM 241 ND1 HIS A 15 -251.248 -21.653 100.150 1.00 0.00 N ATOM 242 CD2 HIS A 15 -252.816 -20.360 99.368 1.00 0.00 C ATOM 243 CE1 HIS A 15 -251.673 -22.196 99.024 1.00 0.00 C ATOM 244 NE2 HIS A 15 -252.628 -21.430 98.530 1.00 0.00 N ATOM 0 H HIS A 15 -250.186 -18.094 102.857 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.196 -18.108 100.121 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -250.896 -20.012 102.157 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.609 -19.645 102.211 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -253.527 -19.558 99.233 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -251.303 -23.110 98.583 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -253.142 -21.605 97.667 1.00 0.00 H new ATOM 253 N GLY A 16 -252.541 -16.415 102.407 1.00 0.00 N ATOM 254 CA GLY A 16 -253.678 -15.585 102.762 1.00 0.00 C ATOM 255 C GLY A 16 -253.764 -14.328 101.929 1.00 0.00 C ATOM 256 O GLY A 16 -254.853 -13.885 101.582 1.00 0.00 O ATOM 0 H GLY A 16 -251.687 -16.228 102.932 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.595 -16.161 102.639 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.610 -15.314 103.816 1.00 0.00 H new ATOM 260 N VAL A 17 -252.613 -13.748 101.625 1.00 0.00 N ATOM 261 CA VAL A 17 -252.566 -12.558 100.796 1.00 0.00 C ATOM 262 C VAL A 17 -252.892 -12.922 99.352 1.00 0.00 C ATOM 263 O VAL A 17 -252.178 -13.697 98.713 1.00 0.00 O ATOM 264 CB VAL A 17 -251.197 -11.834 100.889 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.054 -12.826 100.868 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.035 -10.815 99.766 1.00 0.00 C ATOM 0 H VAL A 17 -251.702 -14.082 101.940 1.00 0.00 H new ATOM 0 HA VAL A 17 -253.316 -11.860 101.168 1.00 0.00 H new ATOM 0 HB VAL A 17 -251.172 -11.301 101.840 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.107 -12.291 100.934 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -250.147 -13.506 101.715 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.084 -13.396 99.940 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -250.066 -10.324 99.857 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -251.095 -11.322 98.803 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -251.828 -10.070 99.834 1.00 0.00 H new ATOM 326 N PRO A 22 -252.670 -16.611 94.011 1.00 0.00 N ATOM 327 CA PRO A 22 -253.356 -17.389 95.033 1.00 0.00 C ATOM 328 C PRO A 22 -252.518 -17.516 96.299 1.00 0.00 C ATOM 329 O PRO A 22 -253.029 -17.591 97.417 1.00 0.00 O ATOM 330 CB PRO A 22 -253.524 -18.747 94.350 1.00 0.00 C ATOM 331 CG PRO A 22 -252.522 -18.781 93.229 1.00 0.00 C ATOM 332 CD PRO A 22 -251.847 -17.460 93.150 1.00 0.00 C ATOM 0 HA PRO A 22 -254.294 -16.939 95.360 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -253.348 -19.561 95.054 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.538 -18.868 93.969 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -251.789 -19.569 93.401 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -253.019 -19.008 92.286 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -250.817 -17.513 93.503 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -251.815 -17.085 92.127 1.00 0.00 H new ATOM 340 N PHE A 23 -251.223 -17.562 96.081 1.00 0.00 N ATOM 341 CA PHE A 23 -250.230 -17.580 97.144 1.00 0.00 C ATOM 342 C PHE A 23 -249.031 -16.751 96.703 1.00 0.00 C ATOM 343 O PHE A 23 -248.538 -16.913 95.586 1.00 0.00 O ATOM 344 CB PHE A 23 -249.802 -19.021 97.481 1.00 0.00 C ATOM 345 CG PHE A 23 -249.250 -19.805 96.318 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.097 -20.478 95.453 1.00 0.00 C ATOM 347 CD2 PHE A 23 -247.881 -19.873 96.093 1.00 0.00 C ATOM 348 CE1 PHE A 23 -249.594 -21.198 94.387 1.00 0.00 C ATOM 349 CE2 PHE A 23 -247.374 -20.591 95.028 1.00 0.00 C ATOM 350 CZ PHE A 23 -248.230 -21.253 94.174 1.00 0.00 C ATOM 0 H PHE A 23 -250.818 -17.589 95.145 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.662 -17.152 98.049 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -249.049 -18.987 98.268 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.662 -19.555 97.886 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.164 -20.439 95.614 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.205 -19.358 96.759 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -250.266 -21.718 93.720 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -246.307 -20.634 94.864 1.00 0.00 H new ATOM 0 HZ PHE A 23 -247.835 -21.814 93.340 1.00 0.00 H new ATOM 360 N THR A 24 -248.588 -15.844 97.550 1.00 0.00 N ATOM 361 CA THR A 24 -247.471 -14.994 97.195 1.00 0.00 C ATOM 362 C THR A 24 -246.457 -14.942 98.334 1.00 0.00 C ATOM 363 O THR A 24 -246.816 -14.934 99.512 1.00 0.00 O ATOM 364 CB THR A 24 -247.951 -13.578 96.785 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.879 -12.832 96.201 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.519 -12.818 97.964 1.00 0.00 C ATOM 0 H THR A 24 -248.979 -15.678 98.477 1.00 0.00 H new ATOM 0 HA THR A 24 -246.973 -15.425 96.326 1.00 0.00 H new ATOM 0 HB THR A 24 -248.744 -13.706 96.048 1.00 0.00 H new ATOM 0 HG1 THR A 24 -247.200 -11.942 95.947 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.845 -11.830 97.637 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.369 -13.364 98.373 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.753 -12.712 98.732 1.00 0.00 H new ATOM 374 N VAL A 25 -245.188 -14.948 97.965 1.00 0.00 N ATOM 375 CA VAL A 25 -244.092 -15.120 98.906 1.00 0.00 C ATOM 376 C VAL A 25 -243.300 -13.818 99.045 1.00 0.00 C ATOM 377 O VAL A 25 -242.856 -13.258 98.043 1.00 0.00 O ATOM 378 CB VAL A 25 -243.146 -16.220 98.391 1.00 0.00 C ATOM 379 CG1 VAL A 25 -242.214 -16.713 99.473 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.919 -17.365 97.760 1.00 0.00 C ATOM 0 H VAL A 25 -244.886 -14.833 96.998 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.504 -15.397 99.876 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.526 -15.773 97.614 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.564 -17.488 99.068 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.607 -15.884 99.836 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.798 -17.123 100.297 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -243.221 -18.124 97.407 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.588 -17.804 98.500 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.503 -16.990 96.919 1.00 0.00 H new ATOM 390 N PHE A 26 -243.111 -13.338 100.271 1.00 0.00 N ATOM 391 CA PHE A 26 -242.366 -12.091 100.480 1.00 0.00 C ATOM 392 C PHE A 26 -241.076 -12.346 101.227 1.00 0.00 C ATOM 393 O PHE A 26 -241.027 -13.179 102.135 1.00 0.00 O ATOM 394 CB PHE A 26 -243.197 -11.049 101.228 1.00 0.00 C ATOM 395 CG PHE A 26 -244.510 -10.758 100.566 1.00 0.00 C ATOM 396 CD1 PHE A 26 -244.581 -9.822 99.551 1.00 0.00 C ATOM 397 CD2 PHE A 26 -245.666 -11.420 100.952 1.00 0.00 C ATOM 398 CE1 PHE A 26 -245.780 -9.544 98.930 1.00 0.00 C ATOM 399 CE2 PHE A 26 -246.868 -11.145 100.334 1.00 0.00 C ATOM 400 CZ PHE A 26 -246.925 -10.206 99.321 1.00 0.00 C ATOM 0 H PHE A 26 -243.455 -13.781 101.123 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.133 -11.695 99.491 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.379 -11.399 102.244 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.624 -10.125 101.307 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -243.686 -9.302 99.241 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -245.625 -12.156 101.742 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -245.823 -8.810 98.139 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -247.764 -11.663 100.641 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.866 -9.991 98.836 1.00 0.00 H new ATOM 410 N THR A 27 -240.026 -11.642 100.826 1.00 0.00 N ATOM 411 CA THR A 27 -238.708 -11.841 101.398 1.00 0.00 C ATOM 412 C THR A 27 -238.543 -11.041 102.680 1.00 0.00 C ATOM 413 O THR A 27 -239.033 -9.919 102.795 1.00 0.00 O ATOM 414 CB THR A 27 -237.602 -11.437 100.407 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.105 -11.486 99.065 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.408 -12.373 100.528 1.00 0.00 C ATOM 0 H THR A 27 -240.066 -10.925 100.102 1.00 0.00 H new ATOM 0 HA THR A 27 -238.615 -12.904 101.622 1.00 0.00 H new ATOM 0 HB THR A 27 -237.285 -10.421 100.644 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.396 -11.226 98.440 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.636 -12.072 99.820 1.00 0.00 H new ATOM 0 HG22 THR A 27 -236.009 -12.325 101.541 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.722 -13.394 100.310 1.00 0.00 H new ATOM 424 N ILE A 28 -237.863 -11.643 103.634 1.00 0.00 N ATOM 425 CA ILE A 28 -237.591 -11.017 104.909 1.00 0.00 C ATOM 426 C ILE A 28 -236.110 -10.661 104.982 1.00 0.00 C ATOM 427 O ILE A 28 -235.394 -10.831 103.998 1.00 0.00 O ATOM 428 CB ILE A 28 -237.978 -11.952 106.062 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.922 -13.039 106.272 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.334 -12.583 105.760 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.218 -13.939 107.443 1.00 0.00 C ATOM 0 H ILE A 28 -237.482 -12.585 103.545 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.187 -10.109 105.001 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.039 -11.370 106.981 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.848 -13.643 105.368 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -235.950 -12.568 106.421 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.615 -13.249 106.576 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.085 -11.800 105.656 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.272 -13.152 104.832 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.430 -14.687 107.535 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.263 -13.345 108.356 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.175 -14.437 107.286 1.00 0.00 H new ATOM 443 N ASN A 29 -235.640 -10.185 106.127 1.00 0.00 N ATOM 444 CA ASN A 29 -234.236 -9.821 106.268 1.00 0.00 C ATOM 445 C ASN A 29 -233.834 -9.762 107.733 1.00 0.00 C ATOM 446 O ASN A 29 -234.606 -9.307 108.578 1.00 0.00 O ATOM 447 CB ASN A 29 -233.941 -8.480 105.584 1.00 0.00 C ATOM 448 CG ASN A 29 -234.611 -7.305 106.270 1.00 0.00 C ATOM 449 OD1 ASN A 29 -235.755 -6.967 105.969 1.00 0.00 O ATOM 450 ND2 ASN A 29 -233.898 -6.660 107.179 1.00 0.00 N ATOM 0 H ASN A 29 -236.204 -10.043 106.965 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.645 -10.594 105.777 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -232.863 -8.317 105.566 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.274 -8.526 104.547 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -234.294 -5.851 107.658 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -232.952 -6.972 107.401 1.00 0.00 H new ATOM 457 N GLY A 30 -232.629 -10.235 108.023 1.00 0.00 N ATOM 458 CA GLY A 30 -232.132 -10.232 109.385 1.00 0.00 C ATOM 459 C GLY A 30 -232.772 -11.319 110.218 1.00 0.00 C ATOM 460 O GLY A 30 -232.158 -12.349 110.484 1.00 0.00 O ATOM 0 H GLY A 30 -231.984 -10.623 107.335 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.051 -10.369 109.378 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.328 -9.262 109.841 1.00 0.00 H new ATOM 464 N GLY A 31 -234.016 -11.089 110.604 1.00 0.00 N ATOM 465 CA GLY A 31 -234.760 -12.058 111.377 1.00 0.00 C ATOM 466 C GLY A 31 -236.250 -11.892 111.181 1.00 0.00 C ATOM 467 O GLY A 31 -236.959 -12.866 110.944 1.00 0.00 O ATOM 0 H GLY A 31 -234.530 -10.234 110.391 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.463 -13.065 111.084 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.516 -11.948 112.434 1.00 0.00 H new ATOM 471 N THR A 32 -236.700 -10.635 111.241 1.00 0.00 N ATOM 472 CA THR A 32 -238.107 -10.262 111.101 1.00 0.00 C ATOM 473 C THR A 32 -239.074 -11.174 111.849 1.00 0.00 C ATOM 474 O THR A 32 -239.452 -12.242 111.361 1.00 0.00 O ATOM 475 CB THR A 32 -238.562 -10.200 109.646 1.00 0.00 C ATOM 476 OG1 THR A 32 -237.988 -11.281 108.912 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.199 -8.878 108.986 1.00 0.00 C ATOM 0 H THR A 32 -236.084 -9.836 111.391 1.00 0.00 H new ATOM 0 HA THR A 32 -238.144 -9.269 111.550 1.00 0.00 H new ATOM 0 HB THR A 32 -239.649 -10.282 109.640 1.00 0.00 H new ATOM 0 HG1 THR A 32 -237.059 -11.066 108.686 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.543 -8.881 107.952 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.676 -8.059 109.525 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.117 -8.745 109.008 1.00 0.00 H new ATOM 485 N LYS A 33 -239.495 -10.749 113.023 1.00 0.00 N ATOM 486 CA LYS A 33 -240.585 -11.425 113.692 1.00 0.00 C ATOM 487 C LYS A 33 -241.885 -11.145 112.944 1.00 0.00 C ATOM 488 O LYS A 33 -241.926 -10.266 112.077 1.00 0.00 O ATOM 489 CB LYS A 33 -240.694 -11.057 115.163 1.00 0.00 C ATOM 490 CG LYS A 33 -240.862 -9.592 115.432 1.00 0.00 C ATOM 491 CD LYS A 33 -239.530 -8.864 115.529 1.00 0.00 C ATOM 492 CE LYS A 33 -238.501 -9.639 116.346 1.00 0.00 C ATOM 493 NZ LYS A 33 -238.913 -9.805 117.766 1.00 0.00 N ATOM 0 H LYS A 33 -239.106 -9.952 113.526 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.381 -12.496 113.674 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.540 -11.591 115.595 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -239.799 -11.407 115.678 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -241.460 -9.146 114.637 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -241.415 -9.457 116.361 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -239.139 -8.693 114.526 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -239.686 -7.885 115.982 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -238.350 -10.621 115.897 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -237.544 -9.119 116.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -238.182 -10.337 118.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -239.032 -8.870 118.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -239.813 -10.324 117.808 1.00 0.00 H new ATOM 507 N ALA A 34 -242.936 -11.881 113.286 1.00 0.00 N ATOM 508 CA ALA A 34 -244.189 -11.887 112.530 1.00 0.00 C ATOM 509 C ALA A 34 -244.753 -10.499 112.210 1.00 0.00 C ATOM 510 O ALA A 34 -245.492 -10.346 111.246 1.00 0.00 O ATOM 511 CB ALA A 34 -245.217 -12.668 113.307 1.00 0.00 C ATOM 0 H ALA A 34 -242.946 -12.495 114.100 1.00 0.00 H new ATOM 0 HA ALA A 34 -243.962 -12.345 111.567 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.157 -12.681 112.756 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -244.866 -13.690 113.450 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.373 -12.199 114.278 1.00 0.00 H new ATOM 517 N LYS A 35 -244.423 -9.496 113.006 1.00 0.00 N ATOM 518 CA LYS A 35 -245.029 -8.173 112.821 1.00 0.00 C ATOM 519 C LYS A 35 -244.305 -7.398 111.726 1.00 0.00 C ATOM 520 O LYS A 35 -244.938 -6.837 110.828 1.00 0.00 O ATOM 521 CB LYS A 35 -245.108 -7.372 114.129 1.00 0.00 C ATOM 522 CG LYS A 35 -243.787 -7.158 114.837 1.00 0.00 C ATOM 523 CD LYS A 35 -243.919 -6.081 115.902 1.00 0.00 C ATOM 524 CE LYS A 35 -242.604 -5.821 116.612 1.00 0.00 C ATOM 525 NZ LYS A 35 -242.672 -4.598 117.455 1.00 0.00 N ATOM 0 H LYS A 35 -243.754 -9.561 113.773 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.059 -8.331 112.502 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -245.548 -6.398 113.914 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -245.787 -7.885 114.810 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.458 -8.091 115.295 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -243.023 -6.871 114.114 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -244.272 -5.158 115.442 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -244.671 -6.382 116.631 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -242.349 -6.679 117.234 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -241.807 -5.713 115.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -241.757 -4.450 117.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -242.891 -3.776 116.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -243.416 -4.712 118.173 1.00 0.00 H new ATOM 539 N GLN A 36 -242.972 -7.384 111.790 1.00 0.00 N ATOM 540 CA GLN A 36 -242.163 -6.838 110.710 1.00 0.00 C ATOM 541 C GLN A 36 -242.447 -7.609 109.437 1.00 0.00 C ATOM 542 O GLN A 36 -242.231 -7.119 108.327 1.00 0.00 O ATOM 543 CB GLN A 36 -240.669 -6.924 111.036 1.00 0.00 C ATOM 544 CG GLN A 36 -240.133 -5.759 111.855 1.00 0.00 C ATOM 545 CD GLN A 36 -240.675 -5.727 113.265 1.00 0.00 C ATOM 546 OE1 GLN A 36 -240.989 -6.764 113.842 1.00 0.00 O ATOM 547 NE2 GLN A 36 -240.783 -4.537 113.830 1.00 0.00 N ATOM 0 H GLN A 36 -242.435 -7.745 112.579 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.423 -5.787 110.582 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.481 -7.850 111.579 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.109 -6.983 110.103 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -239.045 -5.818 111.891 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -240.385 -4.824 111.354 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -240.510 -3.701 113.314 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -241.139 -4.455 114.782 1.00 0.00 H new ATOM 556 N LEU A 37 -242.912 -8.831 109.607 1.00 0.00 N ATOM 557 CA LEU A 37 -243.222 -9.667 108.485 1.00 0.00 C ATOM 558 C LEU A 37 -244.591 -9.425 107.923 1.00 0.00 C ATOM 559 O LEU A 37 -244.782 -9.502 106.713 1.00 0.00 O ATOM 560 CB LEU A 37 -243.052 -11.121 108.829 1.00 0.00 C ATOM 561 CG LEU A 37 -242.118 -11.772 107.862 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.753 -11.774 106.494 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.863 -10.952 107.819 1.00 0.00 C ATOM 0 H LEU A 37 -243.081 -9.260 110.517 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.509 -9.395 107.707 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.665 -11.220 109.843 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -244.019 -11.623 108.807 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.899 -12.797 108.163 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -242.079 -12.247 105.780 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.691 -12.328 106.529 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -242.949 -10.748 106.182 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.158 -11.402 107.120 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.101 -9.939 107.493 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.417 -10.918 108.813 1.00 0.00 H new ATOM 575 N LEU A 38 -245.543 -9.154 108.778 1.00 0.00 N ATOM 576 CA LEU A 38 -246.857 -8.821 108.305 1.00 0.00 C ATOM 577 C LEU A 38 -246.719 -7.651 107.337 1.00 0.00 C ATOM 578 O LEU A 38 -247.363 -7.611 106.300 1.00 0.00 O ATOM 579 CB LEU A 38 -247.788 -8.515 109.485 1.00 0.00 C ATOM 580 CG LEU A 38 -249.282 -8.503 109.149 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.802 -7.085 108.998 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.528 -9.301 107.878 1.00 0.00 C ATOM 0 H LEU A 38 -245.434 -9.157 109.792 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.312 -9.659 107.776 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.613 -9.255 110.266 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.517 -7.544 109.899 1.00 0.00 H new ATOM 0 HG LEU A 38 -249.825 -8.966 109.973 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -250.865 -7.111 108.760 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.652 -6.541 109.931 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.262 -6.583 108.195 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.592 -9.290 107.642 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -248.969 -8.856 107.055 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.199 -10.330 108.025 1.00 0.00 H new ATOM 594 N GLN A 39 -245.791 -6.762 107.669 1.00 0.00 N ATOM 595 CA GLN A 39 -245.330 -5.701 106.822 1.00 0.00 C ATOM 596 C GLN A 39 -244.837 -6.206 105.496 1.00 0.00 C ATOM 597 O GLN A 39 -245.272 -5.751 104.456 1.00 0.00 O ATOM 598 CB GLN A 39 -244.128 -5.127 107.516 1.00 0.00 C ATOM 599 CG GLN A 39 -243.649 -3.864 106.892 1.00 0.00 C ATOM 600 CD GLN A 39 -242.380 -3.327 107.533 1.00 0.00 C ATOM 601 OE1 GLN A 39 -242.147 -2.119 107.564 1.00 0.00 O ATOM 602 NE2 GLN A 39 -241.545 -4.223 108.045 1.00 0.00 N ATOM 0 H GLN A 39 -245.328 -6.773 108.578 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.146 -4.999 106.650 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.373 -4.940 108.562 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.322 -5.861 107.504 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.469 -4.036 105.831 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.433 -3.110 106.964 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -241.773 -5.216 108.000 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -240.676 -3.918 108.483 1.00 0.00 H new ATOM 611 N GLN A 40 -243.879 -7.106 105.555 1.00 0.00 N ATOM 612 CA GLN A 40 -243.271 -7.647 104.364 1.00 0.00 C ATOM 613 C GLN A 40 -244.323 -8.239 103.436 1.00 0.00 C ATOM 614 O GLN A 40 -244.196 -8.186 102.218 1.00 0.00 O ATOM 615 CB GLN A 40 -242.220 -8.682 104.755 1.00 0.00 C ATOM 616 CG GLN A 40 -240.863 -8.064 105.023 1.00 0.00 C ATOM 617 CD GLN A 40 -240.409 -7.215 103.861 1.00 0.00 C ATOM 618 OE1 GLN A 40 -239.630 -6.270 104.018 1.00 0.00 O ATOM 619 NE2 GLN A 40 -240.937 -7.526 102.692 1.00 0.00 N ATOM 0 H GLN A 40 -243.503 -7.480 106.426 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.779 -6.844 103.816 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.554 -9.215 105.645 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.128 -9.419 103.958 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.910 -7.454 105.925 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.132 -8.851 105.208 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -241.576 -8.317 102.615 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -240.706 -6.975 101.865 1.00 0.00 H new ATOM 628 N ILE A 41 -245.365 -8.762 104.045 1.00 0.00 N ATOM 629 CA ILE A 41 -246.489 -9.359 103.347 1.00 0.00 C ATOM 630 C ILE A 41 -247.411 -8.288 102.770 1.00 0.00 C ATOM 631 O ILE A 41 -247.867 -8.378 101.632 1.00 0.00 O ATOM 632 CB ILE A 41 -247.241 -10.269 104.339 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.548 -11.641 104.428 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.699 -10.435 103.943 1.00 0.00 C ATOM 635 CD1 ILE A 41 -245.031 -11.612 104.280 1.00 0.00 C ATOM 0 H ILE A 41 -245.459 -8.786 105.060 1.00 0.00 H new ATOM 0 HA ILE A 41 -246.130 -9.950 102.504 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.216 -9.794 105.320 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -246.795 -12.093 105.388 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.960 -12.289 103.655 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -249.200 -11.082 104.663 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -249.186 -9.460 103.931 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -248.758 -10.882 102.951 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.638 -12.626 104.357 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -244.768 -11.194 103.308 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.600 -10.995 105.069 1.00 0.00 H new ATOM 647 N LEU A 42 -247.672 -7.282 103.582 1.00 0.00 N ATOM 648 CA LEU A 42 -248.385 -6.089 103.162 1.00 0.00 C ATOM 649 C LEU A 42 -247.722 -5.470 101.958 1.00 0.00 C ATOM 650 O LEU A 42 -248.374 -5.022 101.017 1.00 0.00 O ATOM 651 CB LEU A 42 -248.332 -5.106 104.297 1.00 0.00 C ATOM 652 CG LEU A 42 -249.189 -5.497 105.481 1.00 0.00 C ATOM 653 CD1 LEU A 42 -248.548 -5.011 106.733 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.593 -4.943 105.350 1.00 0.00 C ATOM 0 H LEU A 42 -247.392 -7.269 104.563 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.411 -6.347 102.901 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.298 -5.001 104.627 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.652 -4.129 103.935 1.00 0.00 H new ATOM 0 HG LEU A 42 -249.270 -6.584 105.513 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.163 -5.291 107.589 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -247.560 -5.460 106.834 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -248.452 -3.926 106.695 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.184 -5.241 106.216 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.551 -3.855 105.296 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -251.055 -5.334 104.443 1.00 0.00 H new ATOM 666 N THR A 43 -246.408 -5.461 102.036 1.00 0.00 N ATOM 667 CA THR A 43 -245.547 -4.796 101.097 1.00 0.00 C ATOM 668 C THR A 43 -245.758 -5.325 99.676 1.00 0.00 C ATOM 669 O THR A 43 -245.112 -6.271 99.229 1.00 0.00 O ATOM 670 CB THR A 43 -244.079 -4.964 101.551 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.866 -4.221 102.757 1.00 0.00 O ATOM 672 CG2 THR A 43 -243.081 -4.524 100.498 1.00 0.00 C ATOM 0 H THR A 43 -245.898 -5.934 102.782 1.00 0.00 H new ATOM 0 HA THR A 43 -245.793 -3.734 101.075 1.00 0.00 H new ATOM 0 HB THR A 43 -243.914 -6.028 101.721 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.519 -4.499 103.432 1.00 0.00 H new ATOM 0 HG21 THR A 43 -242.068 -4.666 100.875 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.219 -5.119 99.595 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.238 -3.471 100.266 1.00 0.00 H new ATOM 823 N THR A 53 -253.727 -3.112 108.735 1.00 0.00 N ATOM 824 CA THR A 53 -254.797 -3.212 109.710 1.00 0.00 C ATOM 825 C THR A 53 -254.984 -4.642 110.249 1.00 0.00 C ATOM 826 O THR A 53 -254.011 -5.321 110.570 1.00 0.00 O ATOM 827 CB THR A 53 -256.102 -2.637 109.088 1.00 0.00 C ATOM 828 OG1 THR A 53 -257.131 -2.519 110.077 1.00 0.00 O ATOM 829 CG2 THR A 53 -256.599 -3.477 107.907 1.00 0.00 C ATOM 0 HA THR A 53 -254.527 -2.618 110.584 1.00 0.00 H new ATOM 0 HB THR A 53 -255.859 -1.644 108.708 1.00 0.00 H new ATOM 0 HG1 THR A 53 -257.927 -3.009 109.781 1.00 0.00 H new ATOM 0 HG21 THR A 53 -257.512 -3.037 107.506 1.00 0.00 H new ATOM 0 HG22 THR A 53 -255.835 -3.500 107.130 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.804 -4.493 108.244 1.00 0.00 H new ATOM 837 N ASP A 54 -256.249 -5.042 110.362 1.00 0.00 N ATOM 838 CA ASP A 54 -256.730 -6.305 110.956 1.00 0.00 C ATOM 839 C ASP A 54 -256.022 -7.584 110.501 1.00 0.00 C ATOM 840 O ASP A 54 -256.380 -8.675 110.937 1.00 0.00 O ATOM 841 CB ASP A 54 -258.191 -6.470 110.581 1.00 0.00 C ATOM 842 CG ASP A 54 -259.060 -5.312 111.020 1.00 0.00 C ATOM 843 OD1 ASP A 54 -259.066 -4.280 110.318 1.00 0.00 O ATOM 844 OD2 ASP A 54 -259.749 -5.430 112.054 1.00 0.00 O ATOM 0 H ASP A 54 -257.018 -4.464 110.023 1.00 0.00 H new ATOM 0 HA ASP A 54 -256.533 -6.205 112.023 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -258.270 -6.584 109.500 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -258.571 -7.389 111.027 1.00 0.00 H new ATOM 849 N TYR A 55 -255.072 -7.467 109.621 1.00 0.00 N ATOM 850 CA TYR A 55 -254.424 -8.636 109.045 1.00 0.00 C ATOM 851 C TYR A 55 -253.401 -9.250 109.995 1.00 0.00 C ATOM 852 O TYR A 55 -252.620 -8.543 110.633 1.00 0.00 O ATOM 853 CB TYR A 55 -253.731 -8.258 107.753 1.00 0.00 C ATOM 854 CG TYR A 55 -254.639 -7.633 106.728 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.894 -8.163 106.485 1.00 0.00 C ATOM 856 CD2 TYR A 55 -254.244 -6.517 106.001 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.734 -7.608 105.551 1.00 0.00 C ATOM 858 CE2 TYR A 55 -255.078 -5.948 105.060 1.00 0.00 C ATOM 859 CZ TYR A 55 -256.328 -6.498 104.836 1.00 0.00 C ATOM 860 OH TYR A 55 -257.169 -5.936 103.898 1.00 0.00 O ATOM 0 H TYR A 55 -254.718 -6.574 109.277 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.202 -9.376 108.857 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.922 -7.563 107.977 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -253.275 -9.150 107.323 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -256.219 -9.030 107.041 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -253.268 -6.088 106.175 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.709 -8.038 105.376 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.758 -5.080 104.503 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.730 -5.162 103.487 1.00 0.00 H new ATOM 870 N PHE A 56 -253.410 -10.570 110.071 1.00 0.00 N ATOM 871 CA PHE A 56 -252.398 -11.312 110.815 1.00 0.00 C ATOM 872 C PHE A 56 -252.128 -12.650 110.127 1.00 0.00 C ATOM 873 O PHE A 56 -252.740 -12.956 109.113 1.00 0.00 O ATOM 874 CB PHE A 56 -252.811 -11.515 112.284 1.00 0.00 C ATOM 875 CG PHE A 56 -254.107 -12.250 112.474 1.00 0.00 C ATOM 876 CD1 PHE A 56 -255.316 -11.592 112.331 1.00 0.00 C ATOM 877 CD2 PHE A 56 -254.116 -13.598 112.802 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.510 -12.259 112.511 1.00 0.00 C ATOM 879 CE2 PHE A 56 -255.309 -14.269 112.984 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.509 -13.598 112.836 1.00 0.00 C ATOM 0 H PHE A 56 -254.113 -11.158 109.623 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.478 -10.728 110.822 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -252.020 -12.061 112.798 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.888 -10.539 112.764 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -255.325 -10.543 112.075 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -253.182 -14.127 112.916 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -257.446 -11.732 112.397 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -255.305 -15.318 113.242 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.443 -14.122 112.975 1.00 0.00 H new ATOM 890 N LEU A 57 -251.210 -13.436 110.672 1.00 0.00 N ATOM 891 CA LEU A 57 -250.798 -14.694 110.044 1.00 0.00 C ATOM 892 C LEU A 57 -251.449 -15.854 110.772 1.00 0.00 C ATOM 893 O LEU A 57 -252.009 -15.679 111.855 1.00 0.00 O ATOM 894 CB LEU A 57 -249.267 -14.871 110.053 1.00 0.00 C ATOM 895 CG LEU A 57 -248.449 -13.861 109.238 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.778 -12.450 109.661 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.956 -14.118 109.398 1.00 0.00 C ATOM 0 H LEU A 57 -250.733 -13.228 111.549 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.120 -14.670 109.003 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.926 -14.828 111.087 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -249.038 -15.871 109.683 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.711 -13.985 108.187 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.189 -11.747 109.072 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.839 -12.259 109.498 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.545 -12.323 110.718 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.396 -13.390 108.811 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.681 -14.025 110.449 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.720 -15.123 109.049 1.00 0.00 H new ATOM 909 N MET A 58 -251.382 -17.036 110.189 1.00 0.00 N ATOM 910 CA MET A 58 -252.049 -18.185 110.766 1.00 0.00 C ATOM 911 C MET A 58 -251.316 -19.475 110.455 1.00 0.00 C ATOM 912 O MET A 58 -251.217 -19.863 109.297 1.00 0.00 O ATOM 913 CB MET A 58 -253.464 -18.290 110.213 1.00 0.00 C ATOM 914 CG MET A 58 -254.287 -19.381 110.868 1.00 0.00 C ATOM 915 SD MET A 58 -254.962 -18.838 112.435 1.00 0.00 S ATOM 916 CE MET A 58 -255.920 -17.462 111.831 1.00 0.00 C ATOM 0 H MET A 58 -250.877 -17.224 109.323 1.00 0.00 H new ATOM 0 HA MET A 58 -252.066 -18.043 111.847 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.970 -17.334 110.346 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.414 -18.477 109.140 1.00 0.00 H new ATOM 0 HG2 MET A 58 -255.099 -19.676 110.203 1.00 0.00 H new ATOM 0 HG3 MET A 58 -253.666 -20.263 111.024 1.00 0.00 H new ATOM 0 HE1 MET A 58 -256.577 -17.101 112.622 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.250 -16.660 111.522 1.00 0.00 H new ATOM 0 HE3 MET A 58 -256.520 -17.782 110.979 1.00 0.00 H new ATOM 926 N GLU A 59 -250.791 -20.120 111.481 1.00 0.00 N ATOM 927 CA GLU A 59 -250.307 -21.470 111.350 1.00 0.00 C ATOM 928 C GLU A 59 -251.469 -22.440 111.515 1.00 0.00 C ATOM 929 O GLU A 59 -251.920 -22.696 112.632 1.00 0.00 O ATOM 930 CB GLU A 59 -249.256 -21.720 112.420 1.00 0.00 C ATOM 931 CG GLU A 59 -247.955 -22.256 111.879 1.00 0.00 C ATOM 932 CD GLU A 59 -247.947 -23.768 111.747 1.00 0.00 C ATOM 933 OE1 GLU A 59 -248.508 -24.292 110.759 1.00 0.00 O ATOM 934 OE2 GLU A 59 -247.383 -24.443 112.640 1.00 0.00 O ATOM 0 H GLU A 59 -250.692 -19.723 112.415 1.00 0.00 H new ATOM 0 HA GLU A 59 -249.862 -21.618 110.366 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -249.062 -20.788 112.951 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -249.654 -22.425 113.150 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -247.762 -21.810 110.903 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -247.141 -21.950 112.536 1.00 0.00 H new ATOM 1262 N ARG A 78 -253.007 -21.978 115.057 1.00 0.00 N ATOM 1263 CA ARG A 78 -252.482 -20.978 115.976 1.00 0.00 C ATOM 1264 C ARG A 78 -252.356 -19.628 115.281 1.00 0.00 C ATOM 1265 O ARG A 78 -251.746 -19.521 114.215 1.00 0.00 O ATOM 1266 CB ARG A 78 -251.125 -21.417 116.524 1.00 0.00 C ATOM 1267 CG ARG A 78 -250.604 -20.529 117.645 1.00 0.00 C ATOM 1268 CD ARG A 78 -249.355 -21.113 118.290 1.00 0.00 C ATOM 1269 NE ARG A 78 -249.597 -22.444 118.846 1.00 0.00 N ATOM 1270 CZ ARG A 78 -248.713 -23.118 119.580 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -247.556 -22.555 119.918 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -248.999 -24.350 119.992 1.00 0.00 N ATOM 0 HA ARG A 78 -253.179 -20.877 116.808 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -251.204 -22.441 116.890 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -250.399 -21.424 115.711 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -250.381 -19.538 117.250 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -251.379 -20.404 118.401 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -248.557 -21.169 117.550 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -249.010 -20.447 119.081 1.00 0.00 H new ATOM 0 HE ARG A 78 -250.499 -22.883 118.660 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -247.344 -21.604 119.615 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -246.881 -23.074 120.480 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -249.893 -24.776 119.746 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -248.325 -24.869 120.554 1.00 0.00 H new ATOM 1286 N ALA A 79 -252.947 -18.606 115.885 1.00 0.00 N ATOM 1287 CA ALA A 79 -252.910 -17.259 115.333 1.00 0.00 C ATOM 1288 C ALA A 79 -251.529 -16.637 115.497 1.00 0.00 C ATOM 1289 O ALA A 79 -250.886 -16.791 116.538 1.00 0.00 O ATOM 1290 CB ALA A 79 -253.969 -16.391 115.992 1.00 0.00 C ATOM 0 H ALA A 79 -253.461 -18.685 116.763 1.00 0.00 H new ATOM 0 HA ALA A 79 -253.124 -17.322 114.266 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -253.930 -15.387 115.570 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -254.954 -16.822 115.814 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -253.783 -16.341 117.065 1.00 0.00 H new ATOM 1296 N ILE A 80 -251.081 -15.942 114.463 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.761 -15.330 114.463 1.00 0.00 C ATOM 1298 C ILE A 80 -249.817 -13.857 114.835 1.00 0.00 C ATOM 1299 O ILE A 80 -250.308 -13.023 114.068 1.00 0.00 O ATOM 1300 CB ILE A 80 -249.065 -15.485 113.102 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.791 -16.960 112.803 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.764 -14.699 113.072 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.763 -17.574 113.724 1.00 0.00 C ATOM 0 H ILE A 80 -251.616 -15.787 113.608 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.181 -15.858 115.220 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.731 -15.089 112.335 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.723 -17.520 112.885 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -248.450 -17.058 111.772 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.287 -14.822 112.100 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -247.973 -13.643 113.243 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -247.098 -15.068 113.852 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.615 -18.621 113.458 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.819 -17.038 113.625 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -248.112 -17.507 114.755 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.333 -13.560 116.029 1.00 0.00 N ATOM 1316 CA GLY A 81 -249.105 -12.194 116.421 1.00 0.00 C ATOM 1317 C GLY A 81 -247.625 -11.883 116.390 1.00 0.00 C ATOM 1318 O GLY A 81 -246.843 -12.678 115.875 1.00 0.00 O ATOM 0 H GLY A 81 -249.093 -14.252 116.739 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.640 -11.521 115.750 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -249.499 -12.025 117.423 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.193 -10.746 116.944 1.00 0.00 N ATOM 1323 CA PRO A 82 -245.787 -10.365 116.959 1.00 0.00 C ATOM 1324 C PRO A 82 -244.905 -11.366 117.701 1.00 0.00 C ATOM 1325 O PRO A 82 -243.742 -11.567 117.353 1.00 0.00 O ATOM 1326 CB PRO A 82 -245.782 -9.022 117.683 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.168 -8.514 117.519 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.023 -9.738 117.590 1.00 0.00 C ATOM 0 HA PRO A 82 -245.379 -10.326 115.949 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -245.522 -9.138 118.735 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -245.053 -8.338 117.248 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -247.426 -7.803 118.304 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -247.292 -7.997 116.567 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.260 -10.007 118.619 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -248.971 -9.600 117.070 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.478 -11.981 118.726 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.769 -12.938 119.562 1.00 0.00 C ATOM 1338 C GLU A 83 -244.446 -14.220 118.801 1.00 0.00 C ATOM 1339 O GLU A 83 -243.359 -14.780 118.948 1.00 0.00 O ATOM 1340 CB GLU A 83 -245.614 -13.264 120.783 1.00 0.00 C ATOM 1341 CG GLU A 83 -245.834 -12.069 121.689 1.00 0.00 C ATOM 1342 CD GLU A 83 -246.765 -12.370 122.838 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -246.735 -13.511 123.346 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -247.515 -11.460 123.251 1.00 0.00 O ATOM 0 H GLU A 83 -246.448 -11.830 119.001 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.825 -12.487 119.869 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -246.581 -13.648 120.457 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -245.130 -14.059 121.351 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -244.874 -11.736 122.083 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -246.242 -11.245 121.103 1.00 0.00 H new ATOM 1351 N GLU A 84 -245.405 -14.697 118.024 1.00 0.00 N ATOM 1352 CA GLU A 84 -245.217 -15.869 117.196 1.00 0.00 C ATOM 1353 C GLU A 84 -244.244 -15.596 116.051 1.00 0.00 C ATOM 1354 O GLU A 84 -244.651 -15.363 114.913 1.00 0.00 O ATOM 1355 CB GLU A 84 -246.556 -16.318 116.645 1.00 0.00 C ATOM 1356 CG GLU A 84 -247.507 -16.842 117.700 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.936 -15.808 118.723 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.142 -14.636 118.344 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -248.074 -16.168 119.910 1.00 0.00 O ATOM 0 H GLU A 84 -246.333 -14.281 117.952 1.00 0.00 H new ATOM 0 HA GLU A 84 -244.788 -16.659 117.813 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -247.026 -15.480 116.130 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -246.389 -17.097 115.901 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -248.395 -17.239 117.207 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -247.032 -17.674 118.219 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.958 -15.599 116.364 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.923 -15.371 115.371 1.00 0.00 C ATOM 1368 C GLU A 85 -241.856 -16.538 114.391 1.00 0.00 C ATOM 1369 O GLU A 85 -241.640 -17.689 114.783 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.579 -15.150 116.064 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.585 -13.947 116.995 1.00 0.00 C ATOM 1372 CD GLU A 85 -239.254 -13.711 117.677 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.278 -13.356 116.985 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -239.181 -13.857 118.916 1.00 0.00 O ATOM 0 H GLU A 85 -242.605 -15.759 117.308 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.166 -14.475 114.801 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -240.318 -16.042 116.633 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.804 -15.015 115.309 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -240.857 -13.058 116.426 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -241.355 -14.088 117.754 1.00 0.00 H new ATOM 1381 N ILE A 86 -242.043 -16.230 113.114 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.138 -17.251 112.078 1.00 0.00 C ATOM 1383 C ILE A 86 -240.822 -17.990 111.888 1.00 0.00 C ATOM 1384 O ILE A 86 -240.812 -19.154 111.488 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.598 -16.656 110.734 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.619 -15.581 110.251 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -243.998 -16.082 110.882 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -241.948 -15.038 108.878 1.00 0.00 C ATOM 0 H ILE A 86 -242.132 -15.274 112.769 1.00 0.00 H new ATOM 0 HA ILE A 86 -242.888 -17.965 112.419 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.617 -17.448 109.985 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.613 -14.759 110.966 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.612 -15.998 110.236 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.321 -15.662 109.930 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.686 -16.873 111.182 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -243.992 -15.300 111.641 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -241.214 -14.282 108.600 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -241.926 -15.850 108.151 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -242.942 -14.591 108.892 1.00 0.00 H new ATOM 1400 N MET A 87 -239.715 -17.324 112.191 1.00 0.00 N ATOM 1401 CA MET A 87 -238.414 -17.969 112.130 1.00 0.00 C ATOM 1402 C MET A 87 -238.344 -19.094 113.148 1.00 0.00 C ATOM 1403 O MET A 87 -237.633 -20.080 112.951 1.00 0.00 O ATOM 1404 CB MET A 87 -237.280 -16.967 112.368 1.00 0.00 C ATOM 1405 CG MET A 87 -237.053 -15.986 111.222 1.00 0.00 C ATOM 1406 SD MET A 87 -236.497 -16.776 109.691 1.00 0.00 S ATOM 1407 CE MET A 87 -238.051 -17.306 108.973 1.00 0.00 C ATOM 0 H MET A 87 -239.693 -16.346 112.479 1.00 0.00 H new ATOM 0 HA MET A 87 -238.288 -18.381 111.129 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.495 -16.403 113.275 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.357 -17.518 112.546 1.00 0.00 H new ATOM 0 HG2 MET A 87 -237.980 -15.447 111.027 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.313 -15.247 111.529 1.00 0.00 H new ATOM 0 HE1 MET A 87 -238.025 -18.382 108.803 1.00 0.00 H new ATOM 0 HE2 MET A 87 -238.867 -17.066 109.654 1.00 0.00 H new ATOM 0 HE3 MET A 87 -238.207 -16.793 108.024 1.00 0.00 H new ATOM 1417 N GLN A 88 -239.128 -18.972 114.218 1.00 0.00 N ATOM 1418 CA GLN A 88 -239.162 -19.995 115.254 1.00 0.00 C ATOM 1419 C GLN A 88 -239.972 -21.162 114.747 1.00 0.00 C ATOM 1420 O GLN A 88 -239.610 -22.321 114.911 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.805 -19.476 116.539 1.00 0.00 C ATOM 1422 CG GLN A 88 -239.052 -18.340 117.196 1.00 0.00 C ATOM 1423 CD GLN A 88 -239.780 -17.798 118.413 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -239.158 -17.326 119.362 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -241.104 -17.866 118.393 1.00 0.00 N ATOM 0 H GLN A 88 -239.745 -18.177 114.387 1.00 0.00 H new ATOM 0 HA GLN A 88 -238.137 -20.289 115.480 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.819 -19.144 116.316 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.888 -20.300 117.248 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -238.061 -18.686 117.491 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -238.907 -17.537 116.474 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -241.582 -18.265 117.585 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -241.645 -17.519 119.185 1.00 0.00 H new ATOM 1434 N ILE A 89 -241.070 -20.815 114.104 1.00 0.00 N ATOM 1435 CA ILE A 89 -241.995 -21.780 113.544 1.00 0.00 C ATOM 1436 C ILE A 89 -241.289 -22.707 112.563 1.00 0.00 C ATOM 1437 O ILE A 89 -241.365 -23.929 112.667 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.130 -21.051 112.819 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.702 -19.972 113.739 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.213 -22.030 112.382 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -244.159 -20.482 115.093 1.00 0.00 C ATOM 0 H ILE A 89 -241.347 -19.845 113.954 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.399 -22.377 114.362 1.00 0.00 H new ATOM 0 HB ILE A 89 -242.737 -20.579 111.918 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -242.945 -19.202 113.891 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.546 -19.496 113.240 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -245.008 -21.488 111.870 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -243.784 -22.770 111.706 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.623 -22.533 113.257 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.550 -19.652 115.681 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.940 -21.230 114.955 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -243.315 -20.931 115.616 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.572 -22.096 111.633 1.00 0.00 N ATOM 1454 CA LEU A 90 -239.894 -22.820 110.571 1.00 0.00 C ATOM 1455 C LEU A 90 -238.659 -23.567 111.072 1.00 0.00 C ATOM 1456 O LEU A 90 -238.249 -24.558 110.478 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.531 -21.843 109.455 1.00 0.00 C ATOM 1458 CG LEU A 90 -240.740 -21.145 108.824 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -240.300 -19.964 107.984 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -241.541 -22.128 107.982 1.00 0.00 C ATOM 0 H LEU A 90 -240.444 -21.085 111.594 1.00 0.00 H new ATOM 0 HA LEU A 90 -240.573 -23.581 110.187 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -238.854 -21.087 109.853 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -238.987 -22.380 108.678 1.00 0.00 H new ATOM 0 HG LEU A 90 -241.378 -20.774 109.626 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -241.175 -19.483 107.546 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -239.769 -19.248 108.612 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -239.639 -20.309 107.189 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.396 -21.616 107.541 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -240.909 -22.528 107.189 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -241.892 -22.945 108.612 1.00 0.00 H new ATOM 1472 N SER A 91 -238.057 -23.096 112.159 1.00 0.00 N ATOM 1473 CA SER A 91 -236.901 -23.788 112.722 1.00 0.00 C ATOM 1474 C SER A 91 -237.336 -24.881 113.694 1.00 0.00 C ATOM 1475 O SER A 91 -236.604 -25.842 113.930 1.00 0.00 O ATOM 1476 CB SER A 91 -235.956 -22.803 113.417 1.00 0.00 C ATOM 1477 OG SER A 91 -236.640 -22.016 114.376 1.00 0.00 O ATOM 0 H SER A 91 -238.342 -22.255 112.660 1.00 0.00 H new ATOM 0 HA SER A 91 -236.363 -24.256 111.898 1.00 0.00 H new ATOM 0 HB2 SER A 91 -235.150 -23.352 113.904 1.00 0.00 H new ATOM 0 HB3 SER A 91 -235.495 -22.153 112.673 1.00 0.00 H new ATOM 0 HG SER A 91 -237.134 -21.302 113.921 1.00 0.00 H new ATOM 1658 N ILE A 103 -249.546 -20.982 106.054 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.819 -19.714 106.706 1.00 0.00 C ATOM 1660 C ILE A 103 -250.893 -18.972 105.942 1.00 0.00 C ATOM 1661 O ILE A 103 -250.882 -18.937 104.708 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.572 -18.805 106.799 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.461 -19.483 107.604 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.934 -17.461 107.425 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.296 -18.564 107.913 1.00 0.00 C ATOM 0 HA ILE A 103 -250.142 -19.947 107.721 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.205 -18.631 105.787 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -247.877 -19.858 108.539 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -247.096 -20.347 107.049 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -248.044 -16.835 107.482 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.687 -16.966 106.813 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.330 -17.622 108.428 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.545 -19.108 108.485 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.855 -18.209 106.981 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.649 -17.712 108.495 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.804 -18.365 106.670 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.836 -17.585 106.054 1.00 0.00 C ATOM 1679 C VAL A 104 -252.655 -16.166 106.478 1.00 0.00 C ATOM 1680 O VAL A 104 -252.432 -15.895 107.655 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.272 -17.981 106.464 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -255.154 -18.083 105.240 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.323 -19.261 107.238 1.00 0.00 C ATOM 0 H VAL A 104 -251.845 -18.401 107.689 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.740 -17.750 104.981 1.00 0.00 H new ATOM 0 HB VAL A 104 -254.640 -17.194 107.122 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -256.164 -18.363 105.541 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -255.181 -17.120 104.730 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -254.754 -18.840 104.565 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.357 -19.488 107.498 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.916 -20.070 106.631 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -253.734 -19.159 108.149 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.713 -15.262 105.545 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.953 -13.907 105.917 1.00 0.00 C ATOM 1695 C LEU A 105 -254.430 -13.824 106.202 1.00 0.00 C ATOM 1696 O LEU A 105 -255.254 -13.863 105.290 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.611 -12.942 104.805 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.471 -11.509 105.270 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -251.347 -11.438 106.281 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -252.227 -10.577 104.090 1.00 0.00 C ATOM 0 H LEU A 105 -252.600 -15.435 104.546 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.333 -13.635 106.771 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.678 -13.256 104.336 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -253.385 -12.993 104.040 1.00 0.00 H new ATOM 0 HG LEU A 105 -253.396 -11.180 105.743 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -251.233 -10.411 106.627 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.579 -12.082 107.129 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.418 -11.770 105.817 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -252.130 -9.553 104.450 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -251.311 -10.870 103.578 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -253.066 -10.640 103.397 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.754 -13.751 107.454 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.126 -13.709 107.865 1.00 0.00 C ATOM 1714 C LYS A 106 -256.515 -12.264 108.112 1.00 0.00 C ATOM 1715 O LYS A 106 -255.696 -11.355 107.949 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.348 -14.529 109.131 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.397 -16.024 108.880 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.538 -16.415 107.958 1.00 0.00 C ATOM 1719 CE LYS A 106 -257.704 -17.925 107.906 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.910 -18.332 107.143 1.00 0.00 N ATOM 0 H LYS A 106 -254.080 -13.719 108.219 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.745 -14.139 107.078 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.548 -14.313 109.840 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.281 -14.216 109.599 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.452 -16.348 108.443 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.505 -16.547 109.830 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.464 -15.956 108.304 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.348 -16.032 106.955 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -256.820 -18.370 107.449 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -257.770 -18.316 108.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -258.982 -19.369 107.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.757 -17.930 107.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.837 -17.982 106.166 1.00 0.00 H new ATOM 1734 N THR A 107 -257.737 -12.051 108.532 1.00 0.00 N ATOM 1735 CA THR A 107 -258.191 -10.765 108.941 1.00 0.00 C ATOM 1736 C THR A 107 -258.802 -10.953 110.318 1.00 0.00 C ATOM 1737 O THR A 107 -259.082 -12.083 110.727 1.00 0.00 O ATOM 1738 CB THR A 107 -259.260 -10.202 107.975 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.433 -11.019 108.005 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.736 -10.146 106.550 1.00 0.00 C ATOM 0 H THR A 107 -258.446 -12.782 108.597 1.00 0.00 H new ATOM 0 HA THR A 107 -257.363 -10.056 108.946 1.00 0.00 H new ATOM 0 HB THR A 107 -259.502 -9.191 108.304 1.00 0.00 H new ATOM 0 HG1 THR A 107 -261.103 -10.652 107.391 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.509 -9.746 105.894 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.858 -9.502 106.510 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.465 -11.150 106.222 1.00 0.00 H new ATOM 1748 N GLN A 108 -259.001 -9.877 111.020 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.693 -9.894 112.308 1.00 0.00 C ATOM 1750 C GLN A 108 -261.197 -10.079 112.113 1.00 0.00 C ATOM 1751 O GLN A 108 -262.013 -9.542 112.870 1.00 0.00 O ATOM 1752 CB GLN A 108 -259.420 -8.599 113.069 1.00 0.00 C ATOM 1753 CG GLN A 108 -258.002 -8.492 113.611 1.00 0.00 C ATOM 1754 CD GLN A 108 -257.735 -9.435 114.771 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -258.339 -10.505 114.879 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -256.818 -9.049 115.643 1.00 0.00 N ATOM 0 H GLN A 108 -258.692 -8.950 110.728 1.00 0.00 H new ATOM 0 HA GLN A 108 -259.315 -10.735 112.889 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -259.611 -7.753 112.409 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -260.123 -8.521 113.898 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -257.296 -8.704 112.808 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -257.819 -7.467 113.934 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -256.340 -8.156 115.519 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -256.589 -9.644 116.439 1.00 0.00 H new