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 35:sc= 0.207 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= -0.0129 USER MOD Single : A 15 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.6) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0084 USER MOD Single : A 29 ASN : amide:sc=-0.00834 X(o=-0.0083,f=0) USER MOD Single : A 32 THR OG1 : rot -80:sc= -4.51! 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= -2.94! C(o=-2.9!,f=-10!) USER MOD Single : A 39 GLN : amide:sc= -1.08! K(o=-1.1!,f=-0.049) USER MOD Single : A 40 GLN : amide:sc= -3.22! K(o=-3.2!,f=-1) USER MOD Single : A 43 THR OG1 : rot 50:sc= 1.27 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.419 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 152:sc= -5.41! (180deg=-6.81!) USER MOD Single : A 87 MET CE :methyl -111:sc= -2.52! (180deg=-5.48!) USER MOD Single : A 88 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 91 SER OG : rot -79:sc= 0.27 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= -0.321 K(o=-0.32,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.663 -12.894 104.333 1.00 0.00 N ATOM 134 CA THR A 9 -233.007 -12.785 103.802 1.00 0.00 C ATOM 135 C THR A 9 -233.630 -14.175 103.622 1.00 0.00 C ATOM 136 O THR A 9 -233.061 -15.040 102.951 1.00 0.00 O ATOM 137 CB THR A 9 -232.983 -12.035 102.451 1.00 0.00 C ATOM 138 OG1 THR A 9 -232.136 -12.720 101.515 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.480 -10.610 102.635 1.00 0.00 C ATOM 0 HA THR A 9 -233.615 -12.223 104.510 1.00 0.00 H new ATOM 0 HB THR A 9 -234.002 -12.006 102.064 1.00 0.00 H new ATOM 0 HG1 THR A 9 -232.206 -13.687 101.657 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.471 -10.100 101.672 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.138 -10.078 103.321 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.470 -10.631 103.044 1.00 0.00 H new ATOM 147 N HIS A 10 -234.768 -14.394 104.264 1.00 0.00 N ATOM 148 CA HIS A 10 -235.530 -15.635 104.112 1.00 0.00 C ATOM 149 C HIS A 10 -236.897 -15.312 103.544 1.00 0.00 C ATOM 150 O HIS A 10 -237.465 -14.287 103.871 1.00 0.00 O ATOM 151 CB HIS A 10 -235.719 -16.349 105.455 1.00 0.00 C ATOM 152 CG HIS A 10 -234.455 -16.806 106.112 1.00 0.00 C ATOM 153 ND1 HIS A 10 -234.007 -18.100 106.042 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.567 -16.142 106.887 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.900 -18.221 106.746 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.606 -17.044 107.276 1.00 0.00 N ATOM 0 H HIS A 10 -235.192 -13.722 104.904 1.00 0.00 H new ATOM 0 HA HIS A 10 -234.972 -16.292 103.444 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -236.242 -15.678 106.136 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.364 -17.214 105.302 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.606 -15.096 107.151 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -232.328 -19.129 106.870 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.803 -16.841 107.872 1.00 0.00 H new ATOM 165 N ARG A 11 -237.426 -16.150 102.686 1.00 0.00 N ATOM 166 CA ARG A 11 -238.732 -15.907 102.153 1.00 0.00 C ATOM 167 C ARG A 11 -239.782 -16.788 102.812 1.00 0.00 C ATOM 168 O ARG A 11 -239.511 -17.928 103.199 1.00 0.00 O ATOM 169 CB ARG A 11 -238.716 -16.097 100.659 1.00 0.00 C ATOM 170 CG ARG A 11 -239.400 -14.944 99.996 1.00 0.00 C ATOM 171 CD ARG A 11 -238.916 -14.719 98.583 1.00 0.00 C ATOM 172 NE ARG A 11 -239.294 -15.807 97.683 1.00 0.00 N ATOM 173 CZ ARG A 11 -239.595 -15.633 96.399 1.00 0.00 C ATOM 174 NH1 ARG A 11 -239.576 -14.417 95.872 1.00 0.00 N ATOM 175 NH2 ARG A 11 -239.906 -16.675 95.648 1.00 0.00 N ATOM 0 H ARG A 11 -236.972 -16.998 102.348 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.006 -14.875 102.373 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.688 -16.176 100.304 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.216 -17.029 100.396 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.475 -15.122 99.984 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.233 -14.040 100.582 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -239.326 -13.782 98.207 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -237.831 -14.614 98.586 1.00 0.00 H new ATOM 0 HE ARG A 11 -239.329 -16.754 98.061 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -239.330 -13.614 96.451 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -239.807 -14.284 94.887 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -239.915 -17.611 96.053 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.137 -16.543 94.663 1.00 0.00 H new ATOM 189 N VAL A 12 -240.981 -16.248 102.935 1.00 0.00 N ATOM 190 CA VAL A 12 -242.077 -16.939 103.584 1.00 0.00 C ATOM 191 C VAL A 12 -243.305 -16.905 102.681 1.00 0.00 C ATOM 192 O VAL A 12 -243.793 -15.831 102.313 1.00 0.00 O ATOM 193 CB VAL A 12 -242.385 -16.318 104.969 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.419 -14.795 104.890 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.690 -16.866 105.537 1.00 0.00 C ATOM 0 H VAL A 12 -241.221 -15.319 102.588 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.791 -17.977 103.752 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.581 -16.600 105.648 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.637 -14.384 105.876 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.451 -14.427 104.550 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.193 -14.484 104.188 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.882 -16.413 106.510 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.510 -16.630 104.859 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.612 -17.947 105.649 1.00 0.00 H new ATOM 205 N THR A 13 -243.762 -18.083 102.273 1.00 0.00 N ATOM 206 CA THR A 13 -244.864 -18.186 101.330 1.00 0.00 C ATOM 207 C THR A 13 -246.181 -17.855 102.028 1.00 0.00 C ATOM 208 O THR A 13 -246.534 -18.483 103.029 1.00 0.00 O ATOM 209 CB THR A 13 -244.989 -19.612 100.763 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.720 -20.084 100.295 1.00 0.00 O ATOM 211 CG2 THR A 13 -246.005 -19.647 99.627 1.00 0.00 C ATOM 0 H THR A 13 -243.385 -18.979 102.582 1.00 0.00 H new ATOM 0 HA THR A 13 -244.660 -17.485 100.521 1.00 0.00 H new ATOM 0 HB THR A 13 -245.332 -20.266 101.565 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.819 -20.992 99.940 1.00 0.00 H new ATOM 0 HG21 THR A 13 -246.081 -20.662 99.238 1.00 0.00 H new ATOM 0 HG22 THR A 13 -246.978 -19.327 99.999 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.683 -18.976 98.830 1.00 0.00 H new ATOM 219 N VAL A 14 -246.914 -16.891 101.505 1.00 0.00 N ATOM 220 CA VAL A 14 -248.160 -16.474 102.120 1.00 0.00 C ATOM 221 C VAL A 14 -249.351 -16.984 101.316 1.00 0.00 C ATOM 222 O VAL A 14 -249.493 -16.677 100.134 1.00 0.00 O ATOM 223 CB VAL A 14 -248.226 -14.944 102.239 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.338 -14.519 103.182 1.00 0.00 C ATOM 225 CG2 VAL A 14 -246.886 -14.397 102.698 1.00 0.00 C ATOM 0 H VAL A 14 -246.669 -16.382 100.656 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.200 -16.903 103.121 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.451 -14.530 101.256 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.363 -13.431 103.248 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.294 -14.882 102.804 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.156 -14.939 104.171 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -246.944 -13.312 102.779 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -246.634 -14.820 103.670 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.116 -14.666 101.975 1.00 0.00 H new ATOM 235 N HIS A 15 -250.188 -17.784 101.962 1.00 0.00 N ATOM 236 CA HIS A 15 -251.371 -18.349 101.333 1.00 0.00 C ATOM 237 C HIS A 15 -252.615 -17.525 101.631 1.00 0.00 C ATOM 238 O HIS A 15 -253.694 -17.808 101.116 1.00 0.00 O ATOM 239 CB HIS A 15 -251.578 -19.779 101.830 1.00 0.00 C ATOM 240 CG HIS A 15 -250.898 -20.805 100.990 1.00 0.00 C ATOM 241 ND1 HIS A 15 -249.794 -21.516 101.398 1.00 0.00 N ATOM 242 CD2 HIS A 15 -251.193 -21.248 99.756 1.00 0.00 C ATOM 243 CE1 HIS A 15 -249.439 -22.358 100.445 1.00 0.00 C ATOM 244 NE2 HIS A 15 -250.277 -22.216 99.434 1.00 0.00 N ATOM 0 H HIS A 15 -250.065 -18.059 102.937 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.213 -18.342 100.254 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.210 -19.856 102.853 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.646 -19.994 101.859 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -252.004 -20.904 99.131 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -248.606 -23.045 100.485 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -250.248 -22.740 98.559 1.00 0.00 H new ATOM 253 N GLY A 16 -252.467 -16.514 102.477 1.00 0.00 N ATOM 254 CA GLY A 16 -253.607 -15.690 102.834 1.00 0.00 C ATOM 255 C GLY A 16 -253.739 -14.460 101.963 1.00 0.00 C ATOM 256 O GLY A 16 -254.841 -13.948 101.769 1.00 0.00 O ATOM 0 H GLY A 16 -251.587 -16.251 102.919 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.517 -16.284 102.756 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.515 -15.383 103.876 1.00 0.00 H new ATOM 260 N VAL A 17 -252.612 -13.973 101.462 1.00 0.00 N ATOM 261 CA VAL A 17 -252.610 -12.856 100.533 1.00 0.00 C ATOM 262 C VAL A 17 -253.413 -13.225 99.290 1.00 0.00 C ATOM 263 O VAL A 17 -253.150 -14.245 98.651 1.00 0.00 O ATOM 264 CB VAL A 17 -251.166 -12.449 100.152 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.334 -13.666 99.798 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.150 -11.448 99.004 1.00 0.00 C ATOM 0 H VAL A 17 -251.686 -14.337 101.685 1.00 0.00 H new ATOM 0 HA VAL A 17 -253.075 -11.997 101.017 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.726 -11.968 101.025 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.324 -13.352 99.534 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -250.293 -14.340 100.654 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.786 -14.182 98.951 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -250.120 -11.186 98.764 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -251.625 -11.891 98.128 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -251.694 -10.550 99.297 1.00 0.00 H new ATOM 326 N PRO A 22 -252.789 -17.326 94.273 1.00 0.00 N ATOM 327 CA PRO A 22 -253.221 -18.189 95.363 1.00 0.00 C ATOM 328 C PRO A 22 -252.283 -18.102 96.558 1.00 0.00 C ATOM 329 O PRO A 22 -252.683 -18.230 97.715 1.00 0.00 O ATOM 330 CB PRO A 22 -253.148 -19.575 94.726 1.00 0.00 C ATOM 331 CG PRO A 22 -252.222 -19.450 93.546 1.00 0.00 C ATOM 332 CD PRO A 22 -251.873 -18.016 93.365 1.00 0.00 C ATOM 0 HA PRO A 22 -254.204 -17.925 95.752 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -252.773 -20.311 95.438 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.136 -19.911 94.411 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -251.321 -20.041 93.709 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -252.700 -19.839 92.647 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -250.831 -17.821 93.620 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -252.014 -17.696 92.333 1.00 0.00 H new ATOM 340 N PHE A 23 -251.025 -17.902 96.242 1.00 0.00 N ATOM 341 CA PHE A 23 -249.978 -17.741 97.233 1.00 0.00 C ATOM 342 C PHE A 23 -248.850 -16.905 96.653 1.00 0.00 C ATOM 343 O PHE A 23 -248.548 -17.001 95.462 1.00 0.00 O ATOM 344 CB PHE A 23 -249.433 -19.101 97.692 1.00 0.00 C ATOM 345 CG PHE A 23 -248.744 -19.897 96.613 1.00 0.00 C ATOM 346 CD1 PHE A 23 -249.473 -20.712 95.764 1.00 0.00 C ATOM 347 CD2 PHE A 23 -247.366 -19.835 96.455 1.00 0.00 C ATOM 348 CE1 PHE A 23 -248.844 -21.445 94.779 1.00 0.00 C ATOM 349 CE2 PHE A 23 -246.733 -20.566 95.471 1.00 0.00 C ATOM 350 CZ PHE A 23 -247.474 -21.373 94.633 1.00 0.00 C ATOM 0 H PHE A 23 -250.692 -17.845 95.279 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.403 -17.236 98.100 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -248.731 -18.939 98.510 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.257 -19.692 98.091 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -250.546 -20.775 95.874 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -246.782 -19.206 97.111 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -249.424 -22.076 94.122 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -245.661 -20.507 95.357 1.00 0.00 H new ATOM 0 HZ PHE A 23 -246.982 -21.948 93.863 1.00 0.00 H new ATOM 360 N THR A 24 -248.251 -16.078 97.483 1.00 0.00 N ATOM 361 CA THR A 24 -247.079 -15.330 97.085 1.00 0.00 C ATOM 362 C THR A 24 -246.122 -15.219 98.267 1.00 0.00 C ATOM 363 O THR A 24 -246.542 -15.076 99.417 1.00 0.00 O ATOM 364 CB THR A 24 -247.430 -13.932 96.517 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.263 -13.331 95.938 1.00 0.00 O ATOM 366 CG2 THR A 24 -247.991 -13.015 97.586 1.00 0.00 C ATOM 0 H THR A 24 -248.558 -15.907 98.441 1.00 0.00 H new ATOM 0 HA THR A 24 -246.594 -15.873 96.274 1.00 0.00 H new ATOM 0 HB THR A 24 -248.195 -14.071 95.754 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.493 -12.448 95.580 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.224 -12.045 97.147 1.00 0.00 H new ATOM 0 HG22 THR A 24 -248.898 -13.453 98.002 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.254 -12.887 98.379 1.00 0.00 H new ATOM 374 N VAL A 25 -244.843 -15.330 97.976 1.00 0.00 N ATOM 375 CA VAL A 25 -243.817 -15.409 99.001 1.00 0.00 C ATOM 376 C VAL A 25 -243.040 -14.090 99.081 1.00 0.00 C ATOM 377 O VAL A 25 -242.531 -13.607 98.067 1.00 0.00 O ATOM 378 CB VAL A 25 -242.844 -16.551 98.660 1.00 0.00 C ATOM 379 CG1 VAL A 25 -241.980 -16.929 99.837 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.578 -17.761 98.110 1.00 0.00 C ATOM 0 H VAL A 25 -244.483 -15.368 97.023 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.293 -15.599 99.963 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.181 -16.178 97.879 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.309 -17.739 99.551 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.394 -16.065 100.150 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.612 -17.257 100.662 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -242.860 -18.548 97.880 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.289 -18.124 98.852 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.113 -17.481 97.202 1.00 0.00 H new ATOM 390 N PHE A 26 -242.950 -13.502 100.272 1.00 0.00 N ATOM 391 CA PHE A 26 -242.211 -12.247 100.430 1.00 0.00 C ATOM 392 C PHE A 26 -240.929 -12.463 101.199 1.00 0.00 C ATOM 393 O PHE A 26 -240.875 -13.271 102.132 1.00 0.00 O ATOM 394 CB PHE A 26 -243.040 -11.158 101.111 1.00 0.00 C ATOM 395 CG PHE A 26 -244.341 -10.872 100.421 1.00 0.00 C ATOM 396 CD1 PHE A 26 -244.397 -9.953 99.388 1.00 0.00 C ATOM 397 CD2 PHE A 26 -245.502 -11.514 100.809 1.00 0.00 C ATOM 398 CE1 PHE A 26 -245.591 -9.679 98.751 1.00 0.00 C ATOM 399 CE2 PHE A 26 -246.700 -11.244 100.178 1.00 0.00 C ATOM 400 CZ PHE A 26 -246.744 -10.323 99.149 1.00 0.00 C ATOM 0 H PHE A 26 -243.370 -13.864 101.128 1.00 0.00 H new ATOM 0 HA PHE A 26 -241.975 -11.905 99.422 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.242 -11.457 102.139 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.453 -10.241 101.155 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -243.497 -9.444 99.077 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -245.472 -12.234 101.614 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -245.622 -8.963 97.943 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -247.601 -11.752 100.488 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.681 -10.107 98.657 1.00 0.00 H new ATOM 410 N THR A 27 -239.891 -11.752 100.791 1.00 0.00 N ATOM 411 CA THR A 27 -238.581 -11.924 101.375 1.00 0.00 C ATOM 412 C THR A 27 -238.412 -11.049 102.606 1.00 0.00 C ATOM 413 O THR A 27 -238.875 -9.909 102.647 1.00 0.00 O ATOM 414 CB THR A 27 -237.472 -11.595 100.362 1.00 0.00 C ATOM 415 OG1 THR A 27 -237.946 -11.807 99.023 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.257 -12.472 100.611 1.00 0.00 C ATOM 0 H THR A 27 -239.936 -11.048 100.054 1.00 0.00 H new ATOM 0 HA THR A 27 -238.495 -12.971 101.666 1.00 0.00 H new ATOM 0 HB THR A 27 -237.192 -10.549 100.484 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.233 -11.593 98.386 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.479 -12.230 99.887 1.00 0.00 H new ATOM 0 HG22 THR A 27 -235.882 -12.297 101.619 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.537 -13.520 100.505 1.00 0.00 H new ATOM 424 N ILE A 28 -237.752 -11.601 103.602 1.00 0.00 N ATOM 425 CA ILE A 28 -237.489 -10.906 104.842 1.00 0.00 C ATOM 426 C ILE A 28 -236.010 -10.550 104.905 1.00 0.00 C ATOM 427 O ILE A 28 -235.286 -10.789 103.943 1.00 0.00 O ATOM 428 CB ILE A 28 -237.891 -11.774 106.046 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.846 -12.853 106.330 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.243 -12.420 105.762 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.147 -13.658 107.569 1.00 0.00 C ATOM 0 H ILE A 28 -237.381 -12.551 103.573 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.083 -9.993 104.880 1.00 0.00 H new ATOM 0 HB ILE A 28 -237.957 -11.138 106.928 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.784 -13.525 105.474 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -235.868 -12.384 106.438 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.536 -13.038 106.611 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -239.991 -11.643 105.603 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.169 -13.041 104.869 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.368 -14.407 107.715 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.180 -12.996 108.434 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.111 -14.155 107.455 1.00 0.00 H new ATOM 443 N ASN A 29 -235.551 -10.002 106.022 1.00 0.00 N ATOM 444 CA ASN A 29 -234.159 -9.584 106.134 1.00 0.00 C ATOM 445 C ASN A 29 -233.769 -9.373 107.589 1.00 0.00 C ATOM 446 O ASN A 29 -234.560 -8.871 108.386 1.00 0.00 O ATOM 447 CB ASN A 29 -233.902 -8.309 105.320 1.00 0.00 C ATOM 448 CG ASN A 29 -234.690 -7.116 105.818 1.00 0.00 C ATOM 449 OD1 ASN A 29 -235.840 -6.905 105.429 1.00 0.00 O ATOM 450 ND2 ASN A 29 -234.070 -6.310 106.662 1.00 0.00 N ATOM 0 H ASN A 29 -236.115 -9.837 106.856 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.539 -10.382 105.726 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -232.838 -8.073 105.352 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.156 -8.494 104.276 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -234.544 -5.479 107.015 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -233.117 -6.519 106.961 1.00 0.00 H new ATOM 457 N GLY A 30 -232.551 -9.782 107.929 1.00 0.00 N ATOM 458 CA GLY A 30 -232.058 -9.637 109.286 1.00 0.00 C ATOM 459 C GLY A 30 -232.667 -10.659 110.225 1.00 0.00 C ATOM 460 O GLY A 30 -232.005 -11.612 110.636 1.00 0.00 O ATOM 0 H GLY A 30 -231.892 -10.215 107.282 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -230.973 -9.742 109.290 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.282 -8.634 109.648 1.00 0.00 H new ATOM 464 N GLY A 31 -233.937 -10.466 110.536 1.00 0.00 N ATOM 465 CA GLY A 31 -234.645 -11.378 111.406 1.00 0.00 C ATOM 466 C GLY A 31 -236.138 -11.302 111.181 1.00 0.00 C ATOM 467 O GLY A 31 -236.792 -12.327 111.004 1.00 0.00 O ATOM 0 H GLY A 31 -234.496 -9.684 110.197 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.299 -12.396 111.228 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.419 -11.142 112.446 1.00 0.00 H new ATOM 471 N THR A 32 -236.647 -10.066 111.140 1.00 0.00 N ATOM 472 CA THR A 32 -238.070 -9.768 110.958 1.00 0.00 C ATOM 473 C THR A 32 -239.010 -10.680 111.742 1.00 0.00 C ATOM 474 O THR A 32 -239.327 -11.790 111.310 1.00 0.00 O ATOM 475 CB THR A 32 -238.496 -9.812 109.498 1.00 0.00 C ATOM 476 OG1 THR A 32 -237.852 -10.903 108.838 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.183 -8.510 108.770 1.00 0.00 C ATOM 0 H THR A 32 -236.070 -9.230 111.234 1.00 0.00 H new ATOM 0 HA THR A 32 -238.162 -8.755 111.351 1.00 0.00 H new ATOM 0 HB THR A 32 -239.577 -9.950 109.475 1.00 0.00 H new ATOM 0 HG1 THR A 32 -236.935 -10.648 108.603 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.504 -8.588 107.731 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.711 -7.687 109.253 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.110 -8.323 108.805 1.00 0.00 H new ATOM 485 N LYS A 33 -239.473 -10.211 112.884 1.00 0.00 N ATOM 486 CA LYS A 33 -240.539 -10.902 113.575 1.00 0.00 C ATOM 487 C LYS A 33 -241.846 -10.717 112.808 1.00 0.00 C ATOM 488 O LYS A 33 -241.918 -9.894 111.894 1.00 0.00 O ATOM 489 CB LYS A 33 -240.676 -10.470 115.025 1.00 0.00 C ATOM 490 CG LYS A 33 -240.834 -8.992 115.230 1.00 0.00 C ATOM 491 CD LYS A 33 -239.495 -8.266 115.329 1.00 0.00 C ATOM 492 CE LYS A 33 -238.454 -9.056 116.118 1.00 0.00 C ATOM 493 NZ LYS A 33 -238.799 -9.175 117.557 1.00 0.00 N ATOM 0 H LYS A 33 -239.133 -9.367 113.346 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.288 -11.962 113.606 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.537 -10.977 115.460 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -239.797 -10.807 115.574 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -241.409 -8.574 114.404 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -241.407 -8.814 116.140 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -239.115 -8.074 114.325 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -239.646 -7.297 115.804 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -238.357 -10.053 115.688 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -237.483 -8.570 116.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -238.061 -9.720 118.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -238.866 -8.226 117.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -239.712 -9.663 117.656 1.00 0.00 H new ATOM 507 N ALA A 34 -242.869 -11.464 113.198 1.00 0.00 N ATOM 508 CA ALA A 34 -244.120 -11.559 112.440 1.00 0.00 C ATOM 509 C ALA A 34 -244.750 -10.204 112.104 1.00 0.00 C ATOM 510 O ALA A 34 -245.544 -10.103 111.177 1.00 0.00 O ATOM 511 CB ALA A 34 -245.108 -12.399 113.217 1.00 0.00 C ATOM 0 H ALA A 34 -242.860 -12.025 114.050 1.00 0.00 H new ATOM 0 HA ALA A 34 -243.871 -12.022 111.485 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.041 -12.473 112.658 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -244.696 -13.397 113.370 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.300 -11.934 114.184 1.00 0.00 H new ATOM 517 N LYS A 35 -244.407 -9.172 112.857 1.00 0.00 N ATOM 518 CA LYS A 35 -245.032 -7.858 112.675 1.00 0.00 C ATOM 519 C LYS A 35 -244.354 -7.096 111.544 1.00 0.00 C ATOM 520 O LYS A 35 -245.018 -6.616 110.621 1.00 0.00 O ATOM 521 CB LYS A 35 -245.050 -7.040 113.976 1.00 0.00 C ATOM 522 CG LYS A 35 -243.739 -7.023 114.738 1.00 0.00 C ATOM 523 CD LYS A 35 -243.796 -6.053 115.904 1.00 0.00 C ATOM 524 CE LYS A 35 -242.504 -6.066 116.703 1.00 0.00 C ATOM 525 NZ LYS A 35 -242.500 -5.023 117.758 1.00 0.00 N ATOM 0 H LYS A 35 -243.705 -9.210 113.596 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.073 -8.023 112.399 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -245.329 -6.013 113.739 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -245.827 -7.439 114.628 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.515 -8.025 115.105 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -242.928 -6.741 114.066 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -243.985 -5.046 115.532 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -244.630 -6.314 116.555 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -242.369 -7.046 117.160 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -241.660 -5.908 116.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -241.603 -5.063 118.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -242.604 -4.086 117.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -243.291 -5.189 118.413 1.00 0.00 H new ATOM 539 N GLN A 36 -243.025 -7.003 111.605 1.00 0.00 N ATOM 540 CA GLN A 36 -242.246 -6.457 110.505 1.00 0.00 C ATOM 541 C GLN A 36 -242.460 -7.311 109.267 1.00 0.00 C ATOM 542 O GLN A 36 -242.247 -6.872 108.137 1.00 0.00 O ATOM 543 CB GLN A 36 -240.755 -6.402 110.850 1.00 0.00 C ATOM 544 CG GLN A 36 -240.331 -5.138 111.587 1.00 0.00 C ATOM 545 CD GLN A 36 -240.908 -5.043 112.984 1.00 0.00 C ATOM 546 OE1 GLN A 36 -241.131 -6.059 113.643 1.00 0.00 O ATOM 547 NE2 GLN A 36 -241.163 -3.826 113.440 1.00 0.00 N ATOM 0 H GLN A 36 -242.470 -7.300 112.407 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.582 -5.437 110.316 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.503 -7.268 111.462 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.177 -6.483 109.929 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -239.243 -5.107 111.647 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -240.643 -4.267 111.011 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -240.962 -3.012 112.860 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -241.560 -3.703 114.372 1.00 0.00 H new ATOM 556 N LEU A 37 -242.861 -8.550 109.488 1.00 0.00 N ATOM 557 CA LEU A 37 -243.130 -9.442 108.396 1.00 0.00 C ATOM 558 C LEU A 37 -244.507 -9.273 107.823 1.00 0.00 C ATOM 559 O LEU A 37 -244.693 -9.414 106.618 1.00 0.00 O ATOM 560 CB LEU A 37 -242.910 -10.881 108.790 1.00 0.00 C ATOM 561 CG LEU A 37 -241.982 -11.543 107.820 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.651 -11.622 106.467 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.752 -10.689 107.710 1.00 0.00 C ATOM 0 H LEU A 37 -243.005 -8.952 110.414 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.418 -9.174 107.616 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.494 -10.931 109.796 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -243.863 -11.410 108.813 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.727 -12.548 108.156 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -241.979 -12.103 105.756 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.570 -12.203 106.549 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -242.887 -10.617 106.119 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.054 -11.145 107.008 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.029 -9.697 107.353 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.280 -10.604 108.689 1.00 0.00 H new ATOM 575 N LEU A 38 -245.471 -8.982 108.660 1.00 0.00 N ATOM 576 CA LEU A 38 -246.786 -8.701 108.161 1.00 0.00 C ATOM 577 C LEU A 38 -246.666 -7.570 107.146 1.00 0.00 C ATOM 578 O LEU A 38 -247.310 -7.587 106.105 1.00 0.00 O ATOM 579 CB LEU A 38 -247.741 -8.375 109.319 1.00 0.00 C ATOM 580 CG LEU A 38 -249.229 -8.396 108.957 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.758 -6.994 108.722 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.446 -9.264 107.725 1.00 0.00 C ATOM 0 H LEU A 38 -245.370 -8.935 109.674 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.214 -9.570 107.661 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.568 -9.089 110.124 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.491 -7.388 109.709 1.00 0.00 H new ATOM 0 HG LEU A 38 -249.782 -8.820 109.795 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -250.817 -7.043 108.467 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.630 -6.400 109.627 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.208 -6.530 107.903 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.506 -9.276 107.471 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -248.877 -8.858 106.889 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.111 -10.280 107.932 1.00 0.00 H new ATOM 594 N GLN A 39 -245.748 -6.652 107.434 1.00 0.00 N ATOM 595 CA GLN A 39 -245.318 -5.621 106.530 1.00 0.00 C ATOM 596 C GLN A 39 -244.824 -6.178 105.226 1.00 0.00 C ATOM 597 O GLN A 39 -245.274 -5.777 104.169 1.00 0.00 O ATOM 598 CB GLN A 39 -244.128 -4.974 107.167 1.00 0.00 C ATOM 599 CG GLN A 39 -243.712 -3.731 106.461 1.00 0.00 C ATOM 600 CD GLN A 39 -242.373 -3.189 106.925 1.00 0.00 C ATOM 601 OE1 GLN A 39 -242.135 -1.982 106.908 1.00 0.00 O ATOM 602 NE2 GLN A 39 -241.482 -4.079 107.342 1.00 0.00 N ATOM 0 H GLN A 39 -245.275 -6.615 108.337 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.158 -4.953 106.340 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.359 -4.739 108.206 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.296 -5.679 107.177 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.663 -3.930 105.390 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.475 -2.967 106.608 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -241.715 -5.072 107.342 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -240.564 -3.770 107.663 1.00 0.00 H new ATOM 611 N GLN A 40 -243.848 -7.060 105.322 1.00 0.00 N ATOM 612 CA GLN A 40 -243.231 -7.645 104.150 1.00 0.00 C ATOM 613 C GLN A 40 -244.274 -8.283 103.248 1.00 0.00 C ATOM 614 O GLN A 40 -244.148 -8.281 102.030 1.00 0.00 O ATOM 615 CB GLN A 40 -242.178 -8.665 104.575 1.00 0.00 C ATOM 616 CG GLN A 40 -240.828 -8.033 104.843 1.00 0.00 C ATOM 617 CD GLN A 40 -240.374 -7.200 103.669 1.00 0.00 C ATOM 618 OE1 GLN A 40 -239.599 -6.256 103.815 1.00 0.00 O ATOM 619 NE2 GLN A 40 -240.901 -7.525 102.502 1.00 0.00 N ATOM 0 H GLN A 40 -243.464 -7.389 106.208 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.743 -6.855 103.579 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.518 -9.180 105.473 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.073 -9.420 103.795 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.886 -7.409 105.735 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.093 -8.812 105.046 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -241.539 -8.318 102.434 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -240.670 -6.983 101.669 1.00 0.00 H new ATOM 628 N ILE A 41 -245.311 -8.786 103.876 1.00 0.00 N ATOM 629 CA ILE A 41 -246.426 -9.415 103.202 1.00 0.00 C ATOM 630 C ILE A 41 -247.360 -8.366 102.600 1.00 0.00 C ATOM 631 O ILE A 41 -247.886 -8.529 101.498 1.00 0.00 O ATOM 632 CB ILE A 41 -247.152 -10.298 104.230 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.434 -11.655 104.367 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.603 -10.513 103.845 1.00 0.00 C ATOM 635 CD1 ILE A 41 -244.918 -11.608 104.208 1.00 0.00 C ATOM 0 H ILE A 41 -245.406 -8.770 104.891 1.00 0.00 H new ATOM 0 HA ILE A 41 -246.075 -10.028 102.372 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.130 -9.782 105.190 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -246.668 -12.074 105.346 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.840 -12.339 103.622 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -249.088 -11.141 104.592 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -249.112 -9.551 103.794 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -248.653 -11.002 102.872 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.509 -12.612 104.322 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -244.668 -11.224 103.219 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.492 -10.955 104.970 1.00 0.00 H new ATOM 647 N LEU A 42 -247.544 -7.291 103.344 1.00 0.00 N ATOM 648 CA LEU A 42 -248.258 -6.112 102.876 1.00 0.00 C ATOM 649 C LEU A 42 -247.588 -5.531 101.654 1.00 0.00 C ATOM 650 O LEU A 42 -248.231 -5.006 100.750 1.00 0.00 O ATOM 651 CB LEU A 42 -248.234 -5.080 103.978 1.00 0.00 C ATOM 652 CG LEU A 42 -249.078 -5.467 105.174 1.00 0.00 C ATOM 653 CD1 LEU A 42 -248.456 -4.926 106.416 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.503 -4.972 105.018 1.00 0.00 C ATOM 0 H LEU A 42 -247.199 -7.209 104.300 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.279 -6.390 102.616 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.204 -4.927 104.302 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.589 -4.128 103.584 1.00 0.00 H new ATOM 0 HG LEU A 42 -249.118 -6.554 105.243 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.063 -5.204 107.278 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -247.453 -5.338 106.530 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -248.396 -3.840 106.350 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.087 -5.264 105.891 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.503 -3.886 104.928 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -250.945 -5.410 104.123 1.00 0.00 H new ATOM 666 N THR A 43 -246.283 -5.666 101.656 1.00 0.00 N ATOM 667 CA THR A 43 -245.409 -4.962 100.760 1.00 0.00 C ATOM 668 C THR A 43 -245.672 -5.313 99.292 1.00 0.00 C ATOM 669 O THR A 43 -245.118 -6.263 98.735 1.00 0.00 O ATOM 670 CB THR A 43 -243.943 -5.246 101.158 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.658 -4.638 102.423 1.00 0.00 O ATOM 672 CG2 THR A 43 -242.954 -4.746 100.131 1.00 0.00 C ATOM 0 H THR A 43 -245.791 -6.286 102.299 1.00 0.00 H new ATOM 0 HA THR A 43 -245.608 -3.894 100.851 1.00 0.00 H new ATOM 0 HB THR A 43 -243.833 -6.329 101.220 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.355 -4.881 103.067 1.00 0.00 H new ATOM 0 HG21 THR A 43 -241.940 -4.972 100.462 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.142 -5.237 99.176 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.065 -3.668 100.013 1.00 0.00 H new ATOM 823 N THR A 53 -253.875 -3.398 108.467 1.00 0.00 N ATOM 824 CA THR A 53 -254.975 -3.427 109.416 1.00 0.00 C ATOM 825 C THR A 53 -255.091 -4.771 110.153 1.00 0.00 C ATOM 826 O THR A 53 -254.081 -5.379 110.510 1.00 0.00 O ATOM 827 CB THR A 53 -256.292 -3.055 108.676 1.00 0.00 C ATOM 828 OG1 THR A 53 -257.372 -2.878 109.602 1.00 0.00 O ATOM 829 CG2 THR A 53 -256.669 -4.102 107.631 1.00 0.00 C ATOM 0 HA THR A 53 -254.777 -2.690 110.194 1.00 0.00 H new ATOM 0 HB THR A 53 -256.111 -2.111 108.161 1.00 0.00 H new ATOM 0 HG1 THR A 53 -258.188 -2.643 109.112 1.00 0.00 H new ATOM 0 HG21 THR A 53 -257.594 -3.806 107.136 1.00 0.00 H new ATOM 0 HG22 THR A 53 -255.872 -4.182 106.892 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.811 -5.067 108.118 1.00 0.00 H new ATOM 837 N ASP A 54 -256.336 -5.181 110.385 1.00 0.00 N ATOM 838 CA ASP A 54 -256.735 -6.355 111.183 1.00 0.00 C ATOM 839 C ASP A 54 -256.095 -7.680 110.767 1.00 0.00 C ATOM 840 O ASP A 54 -256.452 -8.737 111.287 1.00 0.00 O ATOM 841 CB ASP A 54 -258.232 -6.526 111.032 1.00 0.00 C ATOM 842 CG ASP A 54 -259.027 -5.331 111.518 1.00 0.00 C ATOM 843 OD1 ASP A 54 -259.273 -5.224 112.736 1.00 0.00 O ATOM 844 OD2 ASP A 54 -259.398 -4.481 110.680 1.00 0.00 O ATOM 0 H ASP A 54 -257.141 -4.683 110.005 1.00 0.00 H new ATOM 0 HA ASP A 54 -256.401 -6.151 112.200 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -258.466 -6.706 109.983 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -258.547 -7.411 111.585 1.00 0.00 H new ATOM 849 N TYR A 55 -255.198 -7.631 109.823 1.00 0.00 N ATOM 850 CA TYR A 55 -254.553 -8.830 109.306 1.00 0.00 C ATOM 851 C TYR A 55 -253.550 -9.418 110.294 1.00 0.00 C ATOM 852 O TYR A 55 -252.825 -8.688 110.970 1.00 0.00 O ATOM 853 CB TYR A 55 -253.814 -8.515 108.017 1.00 0.00 C ATOM 854 CG TYR A 55 -254.676 -7.975 106.907 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.950 -8.465 106.698 1.00 0.00 C ATOM 856 CD2 TYR A 55 -254.206 -6.979 106.059 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.739 -7.988 105.677 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.989 -6.491 105.033 1.00 0.00 C ATOM 859 CZ TYR A 55 -256.256 -6.997 104.844 1.00 0.00 C ATOM 860 OH TYR A 55 -257.039 -6.515 103.818 1.00 0.00 O ATOM 0 H TYR A 55 -254.886 -6.765 109.383 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.345 -9.559 109.132 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -253.029 -7.790 108.233 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -253.322 -9.422 107.666 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -256.334 -9.237 107.348 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -253.213 -6.581 106.205 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.732 -8.386 105.527 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -254.611 -5.717 104.382 1.00 0.00 H new ATOM 0 HH TYR A 55 -256.548 -5.821 103.330 1.00 0.00 H new ATOM 870 N PHE A 56 -253.522 -10.741 110.367 1.00 0.00 N ATOM 871 CA PHE A 56 -252.461 -11.462 111.073 1.00 0.00 C ATOM 872 C PHE A 56 -252.118 -12.751 110.322 1.00 0.00 C ATOM 873 O PHE A 56 -252.631 -12.987 109.241 1.00 0.00 O ATOM 874 CB PHE A 56 -252.845 -11.756 112.536 1.00 0.00 C ATOM 875 CG PHE A 56 -254.081 -12.596 112.718 1.00 0.00 C ATOM 876 CD1 PHE A 56 -255.338 -12.028 112.615 1.00 0.00 C ATOM 877 CD2 PHE A 56 -253.982 -13.949 113.008 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.475 -12.791 112.791 1.00 0.00 C ATOM 879 CE2 PHE A 56 -255.118 -14.717 113.186 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.367 -14.135 113.077 1.00 0.00 C ATOM 0 H PHE A 56 -254.226 -11.345 109.944 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.577 -10.825 111.100 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -252.008 -12.260 113.020 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.990 -10.808 113.054 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -255.431 -10.975 112.394 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -253.008 -14.407 113.096 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -257.450 -12.334 112.705 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -255.030 -15.770 113.410 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.256 -14.732 113.216 1.00 0.00 H new ATOM 890 N LEU A 57 -251.232 -13.562 110.881 1.00 0.00 N ATOM 891 CA LEU A 57 -250.775 -14.789 110.223 1.00 0.00 C ATOM 892 C LEU A 57 -251.267 -15.983 111.021 1.00 0.00 C ATOM 893 O LEU A 57 -251.735 -15.819 112.144 1.00 0.00 O ATOM 894 CB LEU A 57 -249.233 -14.847 110.133 1.00 0.00 C ATOM 895 CG LEU A 57 -248.524 -13.729 109.348 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.902 -12.370 109.894 1.00 0.00 C ATOM 897 CD2 LEU A 57 -247.012 -13.901 109.411 1.00 0.00 C ATOM 0 H LEU A 57 -250.810 -13.396 111.794 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.175 -14.804 109.209 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.837 -14.848 111.148 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -248.958 -15.801 109.682 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.845 -13.796 108.309 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.390 -11.594 109.325 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.980 -12.231 109.809 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.609 -12.305 110.942 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.531 -13.100 108.850 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.684 -13.863 110.450 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.737 -14.863 108.979 1.00 0.00 H new ATOM 909 N MET A 58 -251.189 -17.173 110.451 1.00 0.00 N ATOM 910 CA MET A 58 -251.500 -18.375 111.206 1.00 0.00 C ATOM 911 C MET A 58 -250.971 -19.614 110.504 1.00 0.00 C ATOM 912 O MET A 58 -250.946 -19.673 109.274 1.00 0.00 O ATOM 913 CB MET A 58 -253.010 -18.503 111.432 1.00 0.00 C ATOM 914 CG MET A 58 -253.673 -19.588 110.598 1.00 0.00 C ATOM 915 SD MET A 58 -255.185 -20.200 111.346 1.00 0.00 S ATOM 916 CE MET A 58 -256.087 -18.671 111.500 1.00 0.00 C ATOM 0 H MET A 58 -250.917 -17.333 109.481 1.00 0.00 H new ATOM 0 HA MET A 58 -251.008 -18.291 112.175 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.193 -18.708 112.487 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.483 -17.547 111.207 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.895 -19.195 109.606 1.00 0.00 H new ATOM 0 HG3 MET A 58 -252.977 -20.416 110.464 1.00 0.00 H new ATOM 0 HE1 MET A 58 -257.157 -18.875 111.463 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.840 -18.197 112.450 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.816 -18.005 110.681 1.00 0.00 H new ATOM 926 N GLU A 59 -250.529 -20.580 111.293 1.00 0.00 N ATOM 927 CA GLU A 59 -250.194 -21.893 110.790 1.00 0.00 C ATOM 928 C GLU A 59 -251.382 -22.830 110.946 1.00 0.00 C ATOM 929 O GLU A 59 -251.673 -23.300 112.049 1.00 0.00 O ATOM 930 CB GLU A 59 -249.001 -22.443 111.559 1.00 0.00 C ATOM 931 CG GLU A 59 -247.758 -22.613 110.713 1.00 0.00 C ATOM 932 CD GLU A 59 -247.636 -24.008 110.123 1.00 0.00 C ATOM 933 OE1 GLU A 59 -248.379 -24.332 109.168 1.00 0.00 O ATOM 934 OE2 GLU A 59 -246.811 -24.804 110.628 1.00 0.00 O ATOM 0 H GLU A 59 -250.394 -20.472 112.298 1.00 0.00 H new ATOM 0 HA GLU A 59 -249.941 -21.817 109.733 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -248.776 -21.774 112.390 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -249.271 -23.407 111.990 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -247.770 -21.881 109.905 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -246.878 -22.402 111.321 1.00 0.00 H new ATOM 1262 N ARG A 78 -252.837 -22.416 115.071 1.00 0.00 N ATOM 1263 CA ARG A 78 -252.089 -21.499 115.925 1.00 0.00 C ATOM 1264 C ARG A 78 -252.001 -20.116 115.278 1.00 0.00 C ATOM 1265 O ARG A 78 -251.570 -19.982 114.129 1.00 0.00 O ATOM 1266 CB ARG A 78 -250.681 -22.048 116.196 1.00 0.00 C ATOM 1267 CG ARG A 78 -249.989 -21.392 117.379 1.00 0.00 C ATOM 1268 CD ARG A 78 -248.562 -21.891 117.553 1.00 0.00 C ATOM 1269 NE ARG A 78 -248.483 -23.350 117.658 1.00 0.00 N ATOM 1270 CZ ARG A 78 -247.715 -23.996 118.543 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -247.060 -23.329 119.482 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -247.636 -25.320 118.513 1.00 0.00 N ATOM 0 HA ARG A 78 -252.616 -21.406 116.874 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -250.747 -23.121 116.374 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -250.069 -21.909 115.305 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -249.981 -20.311 117.240 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -250.557 -21.592 118.288 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -247.959 -21.558 116.708 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -248.131 -21.442 118.448 1.00 0.00 H new ATOM 0 HE ARG A 78 -249.048 -23.907 117.017 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -247.139 -22.313 119.535 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -246.477 -23.831 120.152 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -248.161 -25.847 117.815 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -247.050 -25.811 119.188 1.00 0.00 H new ATOM 1286 N ALA A 79 -252.403 -19.098 116.028 1.00 0.00 N ATOM 1287 CA ALA A 79 -252.449 -17.729 115.525 1.00 0.00 C ATOM 1288 C ALA A 79 -251.095 -17.037 115.668 1.00 0.00 C ATOM 1289 O ALA A 79 -250.382 -17.245 116.649 1.00 0.00 O ATOM 1290 CB ALA A 79 -253.522 -16.939 116.257 1.00 0.00 C ATOM 0 H ALA A 79 -252.705 -19.196 116.997 1.00 0.00 H new ATOM 0 HA ALA A 79 -252.694 -17.769 114.464 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -253.548 -15.919 115.874 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -254.492 -17.410 116.099 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -253.297 -16.921 117.323 1.00 0.00 H new ATOM 1296 N ILE A 80 -250.748 -16.224 114.677 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.481 -15.501 114.669 1.00 0.00 C ATOM 1298 C ILE A 80 -249.630 -14.085 115.202 1.00 0.00 C ATOM 1299 O ILE A 80 -250.422 -13.285 114.691 1.00 0.00 O ATOM 1300 CB ILE A 80 -248.851 -15.464 113.264 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.335 -16.853 112.886 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.720 -14.451 113.207 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.283 -17.379 113.837 1.00 0.00 C ATOM 0 H ILE A 80 -251.333 -16.048 113.860 1.00 0.00 H new ATOM 0 HA ILE A 80 -248.815 -16.051 115.334 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.617 -15.162 112.550 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.173 -17.550 112.860 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -247.919 -16.817 111.879 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.290 -14.442 112.206 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -248.107 -13.460 113.445 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -246.951 -14.723 113.930 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -246.960 -18.368 113.511 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.429 -16.702 113.845 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -247.701 -17.446 114.841 1.00 0.00 H new ATOM 1315 N GLY A 81 -248.871 -13.802 116.250 1.00 0.00 N ATOM 1316 CA GLY A 81 -248.749 -12.453 116.752 1.00 0.00 C ATOM 1317 C GLY A 81 -247.332 -11.949 116.574 1.00 0.00 C ATOM 1318 O GLY A 81 -246.485 -12.679 116.069 1.00 0.00 O ATOM 0 H GLY A 81 -248.331 -14.496 116.767 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.443 -11.798 116.226 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -249.022 -12.425 117.807 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.033 -10.712 116.983 1.00 0.00 N ATOM 1323 CA PRO A 82 -245.707 -10.124 116.828 1.00 0.00 C ATOM 1324 C PRO A 82 -244.633 -10.871 117.602 1.00 0.00 C ATOM 1325 O PRO A 82 -243.474 -10.927 117.186 1.00 0.00 O ATOM 1326 CB PRO A 82 -245.868 -8.707 117.378 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.331 -8.455 117.324 1.00 0.00 C ATOM 1328 CD PRO A 82 -247.949 -9.782 117.628 1.00 0.00 C ATOM 0 HA PRO A 82 -245.379 -10.159 115.789 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -245.489 -8.631 118.397 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -245.317 -7.983 116.778 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -247.631 -7.701 118.052 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -247.635 -8.090 116.343 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.019 -9.960 118.701 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -248.959 -9.861 117.225 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.027 -11.427 118.736 1.00 0.00 N ATOM 1337 CA GLU A 83 -244.117 -12.169 119.585 1.00 0.00 C ATOM 1338 C GLU A 83 -243.759 -13.508 118.954 1.00 0.00 C ATOM 1339 O GLU A 83 -242.593 -13.899 118.936 1.00 0.00 O ATOM 1340 CB GLU A 83 -244.750 -12.384 120.952 1.00 0.00 C ATOM 1341 CG GLU A 83 -245.126 -11.092 121.654 1.00 0.00 C ATOM 1342 CD GLU A 83 -245.582 -11.316 123.079 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -246.467 -12.170 123.301 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -245.068 -10.628 123.983 1.00 0.00 O ATOM 0 H GLU A 83 -245.982 -11.376 119.090 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.199 -11.592 119.701 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -245.642 -12.999 120.838 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -244.056 -12.942 121.581 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -244.269 -10.419 121.652 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -245.921 -10.597 121.096 1.00 0.00 H new ATOM 1351 N GLU A 84 -244.775 -14.213 118.466 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.586 -15.464 117.752 1.00 0.00 C ATOM 1353 C GLU A 84 -243.851 -15.247 116.431 1.00 0.00 C ATOM 1354 O GLU A 84 -244.469 -15.078 115.379 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.937 -16.111 117.502 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.608 -16.619 118.761 1.00 0.00 C ATOM 1357 CD GLU A 84 -246.869 -15.545 119.799 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -247.504 -14.526 119.458 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -246.420 -15.704 120.953 1.00 0.00 O ATOM 0 H GLU A 84 -245.751 -13.930 118.556 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.972 -16.123 118.366 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.593 -15.388 117.017 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.810 -16.941 116.808 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -247.555 -17.087 118.492 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -245.984 -17.395 119.205 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.531 -15.232 116.500 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.709 -15.012 115.323 1.00 0.00 C ATOM 1368 C GLU A 85 -241.740 -16.219 114.397 1.00 0.00 C ATOM 1369 O GLU A 85 -241.562 -17.360 114.831 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.275 -14.687 115.736 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.162 -13.393 116.525 1.00 0.00 C ATOM 1372 CD GLU A 85 -238.727 -12.971 116.760 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -237.957 -12.898 115.780 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -238.371 -12.689 117.920 1.00 0.00 O ATOM 0 H GLU A 85 -242.004 -15.370 117.362 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.118 -14.163 114.775 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -239.881 -15.507 116.336 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.653 -14.617 114.844 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -240.686 -12.600 115.991 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -240.662 -13.514 117.486 1.00 0.00 H new ATOM 1381 N ILE A 86 -241.950 -15.951 113.114 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.109 -17.003 112.117 1.00 0.00 C ATOM 1383 C ILE A 86 -240.843 -17.834 111.966 1.00 0.00 C ATOM 1384 O ILE A 86 -240.906 -19.017 111.631 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.507 -16.421 110.749 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.453 -15.421 110.256 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -243.869 -15.761 110.856 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -241.768 -14.811 108.908 1.00 0.00 C ATOM 0 H ILE A 86 -242.015 -15.005 112.737 1.00 0.00 H new ATOM 0 HA ILE A 86 -242.909 -17.652 112.474 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.562 -17.230 110.021 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.353 -14.622 110.991 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.488 -15.924 110.199 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.151 -15.349 109.887 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.608 -16.500 111.165 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -243.828 -14.959 111.593 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -240.976 -14.116 108.629 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -241.838 -15.600 108.159 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -242.717 -14.277 108.963 1.00 0.00 H new ATOM 1400 N MET A 87 -239.697 -17.220 112.231 1.00 0.00 N ATOM 1401 CA MET A 87 -238.436 -17.940 112.194 1.00 0.00 C ATOM 1402 C MET A 87 -238.435 -19.043 113.245 1.00 0.00 C ATOM 1403 O MET A 87 -237.822 -20.092 113.056 1.00 0.00 O ATOM 1404 CB MET A 87 -237.259 -16.989 112.417 1.00 0.00 C ATOM 1405 CG MET A 87 -237.007 -16.012 111.267 1.00 0.00 C ATOM 1406 SD MET A 87 -236.352 -16.802 109.778 1.00 0.00 S ATOM 1407 CE MET A 87 -237.825 -17.537 109.068 1.00 0.00 C ATOM 0 H MET A 87 -239.617 -16.232 112.472 1.00 0.00 H new ATOM 0 HA MET A 87 -238.324 -18.391 111.208 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.436 -16.419 113.329 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.357 -17.579 112.580 1.00 0.00 H new ATOM 0 HG2 MET A 87 -237.940 -15.506 111.020 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.307 -15.245 111.599 1.00 0.00 H new ATOM 0 HE1 MET A 87 -237.762 -18.623 109.143 1.00 0.00 H new ATOM 0 HE2 MET A 87 -238.704 -17.186 109.609 1.00 0.00 H new ATOM 0 HE3 MET A 87 -237.906 -17.249 108.020 1.00 0.00 H new ATOM 1417 N GLN A 88 -239.164 -18.816 114.337 1.00 0.00 N ATOM 1418 CA GLN A 88 -239.228 -19.783 115.428 1.00 0.00 C ATOM 1419 C GLN A 88 -240.192 -20.893 115.057 1.00 0.00 C ATOM 1420 O GLN A 88 -240.010 -22.057 115.414 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.679 -19.117 116.725 1.00 0.00 C ATOM 1422 CG GLN A 88 -238.720 -18.053 117.217 1.00 0.00 C ATOM 1423 CD GLN A 88 -239.183 -17.384 118.498 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -238.370 -16.963 119.320 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -240.489 -17.284 118.681 1.00 0.00 N ATOM 0 H GLN A 88 -239.717 -17.972 114.488 1.00 0.00 H new ATOM 0 HA GLN A 88 -238.232 -20.195 115.588 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.661 -18.669 116.573 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.792 -19.879 117.496 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -237.741 -18.502 117.382 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -238.597 -17.296 116.442 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -241.132 -17.645 117.976 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -240.853 -16.846 119.527 1.00 0.00 H new ATOM 1434 N ILE A 89 -241.222 -20.501 114.330 1.00 0.00 N ATOM 1435 CA ILE A 89 -242.248 -21.416 113.871 1.00 0.00 C ATOM 1436 C ILE A 89 -241.665 -22.429 112.898 1.00 0.00 C ATOM 1437 O ILE A 89 -241.830 -23.637 113.052 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.370 -20.644 113.172 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.796 -19.467 114.043 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.552 -21.558 112.878 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -244.170 -19.840 115.461 1.00 0.00 C ATOM 0 H ILE A 89 -241.370 -19.534 114.041 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.647 -21.939 114.740 1.00 0.00 H new ATOM 0 HB ILE A 89 -243.002 -20.264 112.219 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -242.983 -18.741 114.074 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.647 -18.973 113.574 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -245.338 -20.989 112.381 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -244.229 -22.373 112.230 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.936 -21.968 113.812 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.460 -18.943 116.009 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -245.005 -20.541 115.445 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -243.315 -20.305 115.952 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.957 -21.910 111.907 1.00 0.00 N ATOM 1454 CA LEU A 90 -240.399 -22.722 110.837 1.00 0.00 C ATOM 1455 C LEU A 90 -239.207 -23.552 111.310 1.00 0.00 C ATOM 1456 O LEU A 90 -238.930 -24.612 110.753 1.00 0.00 O ATOM 1457 CB LEU A 90 -240.008 -21.816 109.673 1.00 0.00 C ATOM 1458 CG LEU A 90 -241.183 -21.059 109.049 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -240.694 -19.926 108.170 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -242.068 -22.010 108.254 1.00 0.00 C ATOM 0 H LEU A 90 -240.753 -20.914 111.822 1.00 0.00 H new ATOM 0 HA LEU A 90 -241.159 -23.431 110.508 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -239.268 -21.095 110.020 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -239.528 -22.419 108.902 1.00 0.00 H new ATOM 0 HG LEU A 90 -241.775 -20.628 109.856 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -241.549 -19.405 107.739 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -240.107 -19.229 108.768 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -240.073 -20.328 107.369 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.898 -21.455 107.817 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -241.483 -22.473 107.459 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -242.457 -22.784 108.916 1.00 0.00 H new ATOM 1472 N SER A 91 -238.506 -23.084 112.338 1.00 0.00 N ATOM 1473 CA SER A 91 -237.390 -23.843 112.887 1.00 0.00 C ATOM 1474 C SER A 91 -237.896 -24.968 113.786 1.00 0.00 C ATOM 1475 O SER A 91 -237.145 -25.867 114.165 1.00 0.00 O ATOM 1476 CB SER A 91 -236.440 -22.922 113.658 1.00 0.00 C ATOM 1477 OG SER A 91 -237.114 -22.232 114.696 1.00 0.00 O ATOM 0 H SER A 91 -238.688 -22.194 112.802 1.00 0.00 H new ATOM 0 HA SER A 91 -236.838 -24.289 112.059 1.00 0.00 H new ATOM 0 HB2 SER A 91 -235.625 -23.510 114.080 1.00 0.00 H new ATOM 0 HB3 SER A 91 -235.993 -22.203 112.972 1.00 0.00 H new ATOM 0 HG SER A 91 -237.609 -21.475 114.318 1.00 0.00 H new ATOM 1658 N ILE A 103 -249.802 -20.776 105.759 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.928 -19.556 106.528 1.00 0.00 C ATOM 1660 C ILE A 103 -250.947 -18.659 105.863 1.00 0.00 C ATOM 1661 O ILE A 103 -250.822 -18.327 104.680 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.595 -18.790 106.677 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.626 -19.576 107.564 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.835 -17.393 107.242 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.422 -18.770 107.999 1.00 0.00 C ATOM 0 HA ILE A 103 -250.245 -19.839 107.532 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.147 -18.681 105.689 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -248.158 -19.927 108.448 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -247.287 -20.460 107.024 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -247.883 -16.871 107.339 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.488 -16.836 106.570 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.306 -17.473 108.222 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.777 -19.388 108.625 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.868 -18.441 107.120 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.752 -17.900 108.566 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.949 -18.264 106.616 1.00 0.00 N ATOM 1678 CA VAL A 104 -253.004 -17.447 106.079 1.00 0.00 C ATOM 1679 C VAL A 104 -252.820 -16.045 106.562 1.00 0.00 C ATOM 1680 O VAL A 104 -252.619 -15.819 107.755 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.421 -17.879 106.518 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -255.333 -18.019 105.312 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.403 -19.149 107.326 1.00 0.00 C ATOM 0 H VAL A 104 -252.052 -18.498 107.603 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.937 -17.547 104.996 1.00 0.00 H new ATOM 0 HB VAL A 104 -254.814 -17.095 107.165 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -256.327 -18.324 105.641 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -255.400 -17.063 104.793 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -254.928 -18.771 104.635 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.421 -19.413 107.612 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.973 -19.954 106.729 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -253.801 -19.001 108.223 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.851 -15.106 105.654 1.00 0.00 N ATOM 1694 CA LEU A 105 -253.071 -13.758 106.059 1.00 0.00 C ATOM 1695 C LEU A 105 -254.527 -13.685 106.440 1.00 0.00 C ATOM 1696 O LEU A 105 -255.412 -13.688 105.586 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.789 -12.786 104.930 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.312 -11.430 105.400 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -251.029 -11.613 106.187 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -252.112 -10.490 104.218 1.00 0.00 C ATOM 0 H LEU A 105 -252.729 -15.251 104.652 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.408 -13.486 106.881 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -252.036 -13.218 104.270 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -253.695 -12.657 104.338 1.00 0.00 H new ATOM 0 HG LEU A 105 -253.064 -10.975 106.045 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.673 -10.643 106.533 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.218 -12.257 107.046 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.273 -12.071 105.549 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.769 -9.520 104.578 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -251.368 -10.910 103.541 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -253.056 -10.367 103.688 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.761 -13.661 107.713 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.092 -13.685 108.233 1.00 0.00 C ATOM 1714 C LYS A 106 -256.558 -12.268 108.467 1.00 0.00 C ATOM 1715 O LYS A 106 -255.812 -11.313 108.256 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.141 -14.470 109.537 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.212 -15.970 109.338 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.476 -16.367 108.587 1.00 0.00 C ATOM 1719 CE LYS A 106 -257.682 -17.870 108.579 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.951 -18.252 107.908 1.00 0.00 N ATOM 0 H LYS A 106 -254.032 -13.624 108.425 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.748 -14.174 107.513 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.257 -14.232 110.129 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.007 -14.147 110.114 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.336 -16.308 108.785 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.189 -16.469 110.307 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.338 -15.885 109.048 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.418 -16.003 107.561 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -256.845 -18.348 108.071 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -257.687 -18.241 109.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -259.054 -19.287 107.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.753 -17.816 108.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.936 -17.921 106.922 1.00 0.00 H new ATOM 1734 N THR A 107 -257.773 -12.139 108.923 1.00 0.00 N ATOM 1735 CA THR A 107 -258.305 -10.883 109.318 1.00 0.00 C ATOM 1736 C THR A 107 -258.835 -11.084 110.722 1.00 0.00 C ATOM 1737 O THR A 107 -259.008 -12.221 111.162 1.00 0.00 O ATOM 1738 CB THR A 107 -259.459 -10.443 108.389 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.470 -11.459 108.352 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.965 -10.186 106.976 1.00 0.00 C ATOM 0 H THR A 107 -258.422 -12.918 109.029 1.00 0.00 H new ATOM 0 HA THR A 107 -257.541 -10.108 109.267 1.00 0.00 H new ATOM 0 HB THR A 107 -259.871 -9.516 108.788 1.00 0.00 H new ATOM 0 HG1 THR A 107 -261.199 -11.173 107.763 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.801 -9.878 106.348 1.00 0.00 H new ATOM 0 HG22 THR A 107 -258.213 -9.397 106.991 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.525 -11.098 106.573 1.00 0.00 H new ATOM 1748 N GLN A 108 -259.078 -10.011 111.414 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.775 -10.047 112.699 1.00 0.00 C ATOM 1750 C GLN A 108 -261.254 -10.354 112.481 1.00 0.00 C ATOM 1751 O GLN A 108 -262.135 -9.763 113.109 1.00 0.00 O ATOM 1752 CB GLN A 108 -259.622 -8.715 113.432 1.00 0.00 C ATOM 1753 CG GLN A 108 -258.200 -8.416 113.876 1.00 0.00 C ATOM 1754 CD GLN A 108 -257.612 -9.512 114.738 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -258.324 -10.198 115.475 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -256.308 -9.692 114.639 1.00 0.00 N ATOM 0 H GLN A 108 -258.804 -9.075 111.116 1.00 0.00 H new ATOM 0 HA GLN A 108 -259.332 -10.832 113.311 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -259.965 -7.911 112.780 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -260.273 -8.716 114.307 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -257.572 -8.275 112.997 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -258.187 -7.478 114.430 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -255.757 -9.101 114.016 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -255.851 -10.422 115.185 1.00 0.00 H new