USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=15 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 Set 1.1: A 58 MET CE :methyl -111:sc= -0.173 (180deg=-2.05!) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -163:sc= -0.0395 (180deg=-0.306) USER MOD Set 2.1: A 36 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.88) USER MOD Set 2.2: A 39 GLN : amide:sc= 0 X(o=-0.15,f=-0.15) USER MOD Single : A 9 THR OG1 : rot 46:sc= 0.278 USER MOD Single : A 10 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0333 USER MOD Single : A 15 HIS : no HD1:sc= -0.773 K(o=-0.77,f=-1.7!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00223 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 32 THR OG1 : rot -90:sc= -3.68! USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= 0.666 (180deg=-0.138) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.04 F(o=-3.3!,f=-1) USER MOD Single : A 43 THR OG1 : rot 58:sc= 0.942 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.533 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 167:sc= -0.0806 (180deg=-0.408) USER MOD Single : A 88 GLN : amide:sc= -0.0281 K(o=-0.028,f=-2) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.983 -12.222 104.828 1.00 0.00 N ATOM 134 CA THR A 9 -233.115 -11.986 103.920 1.00 0.00 C ATOM 135 C THR A 9 -233.729 -13.292 103.393 1.00 0.00 C ATOM 136 O THR A 9 -233.332 -13.813 102.353 1.00 0.00 O ATOM 137 CB THR A 9 -232.730 -11.058 102.738 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.602 -11.576 102.022 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.408 -9.659 103.238 1.00 0.00 C ATOM 0 HA THR A 9 -233.873 -11.480 104.518 1.00 0.00 H new ATOM 0 HB THR A 9 -233.586 -11.013 102.064 1.00 0.00 H new ATOM 0 HG1 THR A 9 -231.727 -12.535 101.864 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.140 -9.024 102.394 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.280 -9.243 103.743 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.572 -9.706 103.936 1.00 0.00 H new ATOM 147 N HIS A 10 -234.698 -13.820 104.129 1.00 0.00 N ATOM 148 CA HIS A 10 -235.345 -15.082 103.767 1.00 0.00 C ATOM 149 C HIS A 10 -236.777 -14.827 103.323 1.00 0.00 C ATOM 150 O HIS A 10 -237.468 -14.015 103.909 1.00 0.00 O ATOM 151 CB HIS A 10 -235.353 -16.058 104.955 1.00 0.00 C ATOM 152 CG HIS A 10 -234.002 -16.345 105.537 1.00 0.00 C ATOM 153 ND1 HIS A 10 -233.401 -17.584 105.479 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.144 -15.549 106.217 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.235 -17.536 106.096 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.057 -16.310 106.553 1.00 0.00 N ATOM 0 H HIS A 10 -235.057 -13.395 104.984 1.00 0.00 H new ATOM 0 HA HIS A 10 -234.778 -15.526 102.949 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -235.992 -15.651 105.738 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -235.802 -16.997 104.633 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.290 -14.505 106.451 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -231.545 -18.359 106.208 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.242 -15.983 107.072 1.00 0.00 H new ATOM 165 N ARG A 11 -237.219 -15.498 102.280 1.00 0.00 N ATOM 166 CA ARG A 11 -238.579 -15.360 101.831 1.00 0.00 C ATOM 167 C ARG A 11 -239.482 -16.372 102.525 1.00 0.00 C ATOM 168 O ARG A 11 -239.074 -17.505 102.782 1.00 0.00 O ATOM 169 CB ARG A 11 -238.642 -15.521 100.329 1.00 0.00 C ATOM 170 CG ARG A 11 -239.553 -14.490 99.737 1.00 0.00 C ATOM 171 CD ARG A 11 -239.283 -14.246 98.272 1.00 0.00 C ATOM 172 NE ARG A 11 -239.769 -15.339 97.430 1.00 0.00 N ATOM 173 CZ ARG A 11 -240.574 -15.169 96.377 1.00 0.00 C ATOM 174 NH1 ARG A 11 -240.954 -13.951 96.005 1.00 0.00 N ATOM 175 NH2 ARG A 11 -240.996 -16.222 95.693 1.00 0.00 N ATOM 0 H ARG A 11 -236.652 -16.144 101.730 1.00 0.00 H new ATOM 0 HA ARG A 11 -238.936 -14.364 102.091 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.644 -15.422 99.903 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -238.999 -16.520 100.077 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.587 -14.810 99.863 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.440 -13.554 100.284 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -239.760 -13.315 97.967 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -238.211 -14.120 98.118 1.00 0.00 H new ATOM 0 HE ARG A 11 -239.476 -16.288 97.661 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -240.631 -13.135 96.525 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -241.569 -13.832 95.200 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -240.706 -17.160 95.970 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -241.611 -16.095 94.889 1.00 0.00 H new ATOM 189 N VAL A 12 -240.704 -15.961 102.825 1.00 0.00 N ATOM 190 CA VAL A 12 -241.645 -16.808 103.540 1.00 0.00 C ATOM 191 C VAL A 12 -242.979 -16.836 102.801 1.00 0.00 C ATOM 192 O VAL A 12 -243.564 -15.790 102.509 1.00 0.00 O ATOM 193 CB VAL A 12 -241.826 -16.326 104.998 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.095 -14.830 105.032 1.00 0.00 C ATOM 195 CG2 VAL A 12 -242.938 -17.096 105.695 1.00 0.00 C ATOM 0 H VAL A 12 -241.069 -15.040 102.582 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.246 -17.822 103.579 1.00 0.00 H new ATOM 0 HB VAL A 12 -240.900 -16.521 105.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.220 -14.506 106.065 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.255 -14.299 104.585 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.003 -14.611 104.471 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.043 -16.736 106.719 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -243.875 -16.946 105.159 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -242.693 -18.158 105.707 1.00 0.00 H new ATOM 205 N THR A 13 -243.430 -18.035 102.451 1.00 0.00 N ATOM 206 CA THR A 13 -244.595 -18.191 101.593 1.00 0.00 C ATOM 207 C THR A 13 -245.887 -17.894 102.363 1.00 0.00 C ATOM 208 O THR A 13 -246.111 -18.429 103.450 1.00 0.00 O ATOM 209 CB THR A 13 -244.686 -19.628 101.049 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.424 -20.029 100.499 1.00 0.00 O ATOM 211 CG2 THR A 13 -245.771 -19.731 99.986 1.00 0.00 C ATOM 0 H THR A 13 -243.005 -18.913 102.749 1.00 0.00 H new ATOM 0 HA THR A 13 -244.482 -17.486 100.770 1.00 0.00 H new ATOM 0 HB THR A 13 -244.943 -20.292 101.874 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.492 -20.945 100.157 1.00 0.00 H new ATOM 0 HG21 THR A 13 -245.820 -20.754 99.614 1.00 0.00 H new ATOM 0 HG22 THR A 13 -246.733 -19.456 100.420 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.539 -19.056 99.162 1.00 0.00 H new ATOM 219 N VAL A 14 -246.733 -17.056 101.792 1.00 0.00 N ATOM 220 CA VAL A 14 -248.007 -16.710 102.405 1.00 0.00 C ATOM 221 C VAL A 14 -249.162 -17.091 101.478 1.00 0.00 C ATOM 222 O VAL A 14 -249.160 -16.744 100.303 1.00 0.00 O ATOM 223 CB VAL A 14 -248.050 -15.199 102.737 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.426 -14.750 103.203 1.00 0.00 C ATOM 225 CG2 VAL A 14 -247.001 -14.855 103.781 1.00 0.00 C ATOM 0 H VAL A 14 -246.561 -16.598 100.897 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.112 -17.270 103.334 1.00 0.00 H new ATOM 0 HB VAL A 14 -247.829 -14.661 101.815 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.405 -13.683 103.424 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.157 -14.944 102.418 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.704 -15.301 104.102 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -247.045 -13.789 104.003 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -247.193 -15.423 104.691 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.011 -15.106 103.399 1.00 0.00 H new ATOM 235 N HIS A 15 -250.127 -17.835 102.002 1.00 0.00 N ATOM 236 CA HIS A 15 -251.277 -18.271 101.210 1.00 0.00 C ATOM 237 C HIS A 15 -252.403 -17.244 101.256 1.00 0.00 C ATOM 238 O HIS A 15 -252.991 -16.895 100.235 1.00 0.00 O ATOM 239 CB HIS A 15 -251.798 -19.623 101.715 1.00 0.00 C ATOM 240 CG HIS A 15 -250.972 -20.801 101.288 1.00 0.00 C ATOM 241 ND1 HIS A 15 -251.222 -21.532 100.144 1.00 0.00 N ATOM 242 CD2 HIS A 15 -249.899 -21.382 101.869 1.00 0.00 C ATOM 243 CE1 HIS A 15 -250.338 -22.507 100.045 1.00 0.00 C ATOM 244 NE2 HIS A 15 -249.523 -22.439 101.079 1.00 0.00 N ATOM 0 H HIS A 15 -250.139 -18.151 102.972 1.00 0.00 H new ATOM 0 HA HIS A 15 -250.942 -18.375 100.178 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.840 -19.599 102.804 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.819 -19.762 101.359 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -249.424 -21.071 102.788 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -250.290 -23.237 99.251 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -248.742 -23.069 101.262 1.00 0.00 H new ATOM 253 N GLY A 16 -252.668 -16.731 102.444 1.00 0.00 N ATOM 254 CA GLY A 16 -253.817 -15.855 102.644 1.00 0.00 C ATOM 255 C GLY A 16 -253.532 -14.412 102.278 1.00 0.00 C ATOM 256 O GLY A 16 -254.063 -13.491 102.892 1.00 0.00 O ATOM 0 H GLY A 16 -252.111 -16.902 103.281 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.652 -16.218 102.045 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -254.128 -15.905 103.688 1.00 0.00 H new ATOM 260 N VAL A 17 -252.702 -14.223 101.273 1.00 0.00 N ATOM 261 CA VAL A 17 -252.314 -12.903 100.832 1.00 0.00 C ATOM 262 C VAL A 17 -253.511 -12.115 100.293 1.00 0.00 C ATOM 263 O VAL A 17 -254.539 -12.691 99.931 1.00 0.00 O ATOM 264 CB VAL A 17 -251.233 -12.994 99.738 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.081 -13.859 100.186 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.810 -13.508 98.424 1.00 0.00 C ATOM 0 H VAL A 17 -252.278 -14.982 100.740 1.00 0.00 H new ATOM 0 HA VAL A 17 -251.914 -12.378 101.700 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.858 -11.985 99.566 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.332 -13.906 99.395 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.634 -13.433 101.084 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.443 -14.864 100.403 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -251.020 -13.559 97.675 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -252.231 -14.502 98.576 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.592 -12.831 98.080 1.00 0.00 H new ATOM 326 N PRO A 22 -252.758 -17.448 94.937 1.00 0.00 N ATOM 327 CA PRO A 22 -253.239 -18.406 95.930 1.00 0.00 C ATOM 328 C PRO A 22 -252.270 -18.466 97.076 1.00 0.00 C ATOM 329 O PRO A 22 -252.612 -18.725 98.229 1.00 0.00 O ATOM 330 CB PRO A 22 -253.232 -19.737 95.177 1.00 0.00 C ATOM 331 CG PRO A 22 -252.832 -19.403 93.780 1.00 0.00 C ATOM 332 CD PRO A 22 -252.083 -18.128 93.830 1.00 0.00 C ATOM 0 HA PRO A 22 -254.217 -18.152 96.339 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -252.531 -20.439 95.628 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.215 -20.207 95.202 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -252.214 -20.195 93.357 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -253.710 -19.308 93.141 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -251.022 -18.281 94.026 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -252.157 -17.570 92.897 1.00 0.00 H new ATOM 340 N PHE A 23 -251.041 -18.235 96.692 1.00 0.00 N ATOM 341 CA PHE A 23 -249.925 -18.142 97.612 1.00 0.00 C ATOM 342 C PHE A 23 -248.801 -17.348 96.961 1.00 0.00 C ATOM 343 O PHE A 23 -248.488 -17.548 95.788 1.00 0.00 O ATOM 344 CB PHE A 23 -249.424 -19.537 98.022 1.00 0.00 C ATOM 345 CG PHE A 23 -248.800 -20.331 96.908 1.00 0.00 C ATOM 346 CD1 PHE A 23 -249.586 -21.000 95.987 1.00 0.00 C ATOM 347 CD2 PHE A 23 -247.420 -20.407 96.787 1.00 0.00 C ATOM 348 CE1 PHE A 23 -249.010 -21.730 94.965 1.00 0.00 C ATOM 349 CE2 PHE A 23 -246.839 -21.136 95.769 1.00 0.00 C ATOM 350 CZ PHE A 23 -247.634 -21.798 94.856 1.00 0.00 C ATOM 0 H PHE A 23 -250.778 -18.103 95.715 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.259 -17.632 98.515 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -248.694 -19.425 98.824 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.261 -20.104 98.430 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -250.662 -20.951 96.068 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -246.793 -19.890 97.498 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -249.635 -22.247 94.252 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -245.763 -21.188 95.687 1.00 0.00 H new ATOM 0 HZ PHE A 23 -247.182 -22.368 94.058 1.00 0.00 H new ATOM 360 N THR A 24 -248.227 -16.432 97.707 1.00 0.00 N ATOM 361 CA THR A 24 -247.060 -15.706 97.256 1.00 0.00 C ATOM 362 C THR A 24 -246.128 -15.469 98.436 1.00 0.00 C ATOM 363 O THR A 24 -246.560 -15.400 99.584 1.00 0.00 O ATOM 364 CB THR A 24 -247.415 -14.376 96.550 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.221 -13.724 96.101 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.188 -13.442 97.460 1.00 0.00 C ATOM 0 H THR A 24 -248.552 -16.170 98.637 1.00 0.00 H new ATOM 0 HA THR A 24 -246.556 -16.316 96.507 1.00 0.00 H new ATOM 0 HB THR A 24 -248.049 -14.619 95.697 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.455 -12.884 95.654 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.417 -12.520 96.925 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.116 -13.922 97.770 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.587 -13.211 98.340 1.00 0.00 H new ATOM 374 N VAL A 25 -244.854 -15.364 98.140 1.00 0.00 N ATOM 375 CA VAL A 25 -243.815 -15.395 99.152 1.00 0.00 C ATOM 376 C VAL A 25 -243.113 -14.037 99.215 1.00 0.00 C ATOM 377 O VAL A 25 -242.704 -13.509 98.187 1.00 0.00 O ATOM 378 CB VAL A 25 -242.801 -16.494 98.781 1.00 0.00 C ATOM 379 CG1 VAL A 25 -241.861 -16.817 99.913 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.506 -17.748 98.289 1.00 0.00 C ATOM 0 H VAL A 25 -244.504 -15.254 97.188 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.251 -15.608 100.128 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.195 -16.097 97.967 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.168 -17.597 99.599 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.301 -15.923 100.187 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.433 -17.165 100.773 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -242.765 -18.506 98.035 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.160 -18.129 99.073 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.099 -17.509 97.406 1.00 0.00 H new ATOM 390 N PHE A 26 -242.983 -13.466 100.408 1.00 0.00 N ATOM 391 CA PHE A 26 -242.342 -12.156 100.548 1.00 0.00 C ATOM 392 C PHE A 26 -241.039 -12.272 101.308 1.00 0.00 C ATOM 393 O PHE A 26 -240.923 -13.058 102.251 1.00 0.00 O ATOM 394 CB PHE A 26 -243.256 -11.143 101.233 1.00 0.00 C ATOM 395 CG PHE A 26 -244.585 -10.997 100.548 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.654 -11.813 100.888 1.00 0.00 C ATOM 397 CD2 PHE A 26 -244.759 -10.048 99.555 1.00 0.00 C ATOM 398 CE1 PHE A 26 -246.873 -11.679 100.251 1.00 0.00 C ATOM 399 CE2 PHE A 26 -245.975 -9.910 98.914 1.00 0.00 C ATOM 400 CZ PHE A 26 -247.032 -10.726 99.263 1.00 0.00 C ATOM 0 H PHE A 26 -243.307 -13.879 101.282 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.136 -11.794 99.541 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.418 -11.448 102.267 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.759 -10.173 101.261 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.532 -12.560 101.658 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -243.934 -9.408 99.278 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.700 -12.318 100.525 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -246.098 -9.165 98.142 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.984 -10.620 98.764 1.00 0.00 H new ATOM 410 N THR A 27 -240.055 -11.503 100.875 1.00 0.00 N ATOM 411 CA THR A 27 -238.716 -11.612 101.415 1.00 0.00 C ATOM 412 C THR A 27 -238.554 -10.749 102.655 1.00 0.00 C ATOM 413 O THR A 27 -239.031 -9.619 102.710 1.00 0.00 O ATOM 414 CB THR A 27 -237.663 -11.214 100.368 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.190 -11.416 99.049 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.412 -12.060 100.542 1.00 0.00 C ATOM 0 H THR A 27 -240.161 -10.795 100.149 1.00 0.00 H new ATOM 0 HA THR A 27 -238.562 -12.655 101.690 1.00 0.00 H new ATOM 0 HB THR A 27 -237.411 -10.162 100.504 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.517 -11.160 98.385 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.671 -11.772 99.796 1.00 0.00 H new ATOM 0 HG22 THR A 27 -236.003 -11.903 101.540 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.664 -13.113 100.415 1.00 0.00 H new ATOM 424 N ILE A 28 -237.872 -11.293 103.642 1.00 0.00 N ATOM 425 CA ILE A 28 -237.683 -10.615 104.909 1.00 0.00 C ATOM 426 C ILE A 28 -236.244 -10.136 105.030 1.00 0.00 C ATOM 427 O ILE A 28 -235.472 -10.273 104.086 1.00 0.00 O ATOM 428 CB ILE A 28 -238.028 -11.552 106.076 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.898 -12.551 106.334 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.325 -12.293 105.767 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.199 -13.517 107.453 1.00 0.00 C ATOM 0 H ILE A 28 -237.435 -12.213 103.590 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.350 -9.754 104.948 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.156 -10.952 106.977 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.704 -13.113 105.421 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -235.986 -12.004 106.571 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.570 -12.958 106.595 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.131 -11.573 105.629 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.201 -12.878 104.856 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.357 -14.197 107.583 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.364 -12.963 108.377 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.093 -14.090 107.208 1.00 0.00 H new ATOM 443 N ASN A 29 -235.879 -9.586 106.176 1.00 0.00 N ATOM 444 CA ASN A 29 -234.533 -9.073 106.375 1.00 0.00 C ATOM 445 C ASN A 29 -234.222 -8.991 107.860 1.00 0.00 C ATOM 446 O ASN A 29 -235.136 -8.886 108.677 1.00 0.00 O ATOM 447 CB ASN A 29 -234.371 -7.697 105.723 1.00 0.00 C ATOM 448 CG ASN A 29 -235.265 -6.646 106.347 1.00 0.00 C ATOM 449 OD1 ASN A 29 -234.880 -5.968 107.299 1.00 0.00 O ATOM 450 ND2 ASN A 29 -236.458 -6.487 105.801 1.00 0.00 N ATOM 0 H ASN A 29 -236.495 -9.483 106.982 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.830 -9.758 105.901 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -233.331 -7.380 105.807 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.596 -7.775 104.659 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -237.097 -5.782 106.168 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -236.740 -7.069 105.012 1.00 0.00 H new ATOM 457 N GLY A 30 -232.939 -9.046 108.203 1.00 0.00 N ATOM 458 CA GLY A 30 -232.536 -8.995 109.595 1.00 0.00 C ATOM 459 C GLY A 30 -233.194 -10.077 110.422 1.00 0.00 C ATOM 460 O GLY A 30 -233.044 -11.265 110.133 1.00 0.00 O ATOM 0 H GLY A 30 -232.169 -9.125 107.538 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.453 -9.098 109.662 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.790 -8.019 110.009 1.00 0.00 H new ATOM 464 N GLY A 31 -233.931 -9.662 111.438 1.00 0.00 N ATOM 465 CA GLY A 31 -234.660 -10.600 112.263 1.00 0.00 C ATOM 466 C GLY A 31 -236.123 -10.235 112.362 1.00 0.00 C ATOM 467 O GLY A 31 -236.589 -9.784 113.410 1.00 0.00 O ATOM 0 H GLY A 31 -234.038 -8.684 111.708 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.562 -11.603 111.848 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.222 -10.624 113.261 1.00 0.00 H new ATOM 471 N THR A 32 -236.847 -10.416 111.267 1.00 0.00 N ATOM 472 CA THR A 32 -238.255 -10.061 111.208 1.00 0.00 C ATOM 473 C THR A 32 -239.136 -11.051 111.959 1.00 0.00 C ATOM 474 O THR A 32 -239.097 -12.254 111.699 1.00 0.00 O ATOM 475 CB THR A 32 -238.757 -10.001 109.774 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.172 -11.069 109.028 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.439 -8.670 109.108 1.00 0.00 C ATOM 0 H THR A 32 -236.478 -10.810 110.402 1.00 0.00 H new ATOM 0 HA THR A 32 -238.324 -9.080 111.678 1.00 0.00 H new ATOM 0 HB THR A 32 -239.842 -10.101 109.793 1.00 0.00 H new ATOM 0 HG1 THR A 32 -237.329 -10.767 108.630 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.817 -8.675 108.086 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.912 -7.862 109.666 1.00 0.00 H new ATOM 0 HG23 THR A 32 -237.360 -8.518 109.095 1.00 0.00 H new ATOM 485 N LYS A 33 -239.929 -10.544 112.887 1.00 0.00 N ATOM 486 CA LYS A 33 -240.992 -11.335 113.484 1.00 0.00 C ATOM 487 C LYS A 33 -242.244 -11.202 112.642 1.00 0.00 C ATOM 488 O LYS A 33 -242.232 -10.544 111.604 1.00 0.00 O ATOM 489 CB LYS A 33 -241.283 -10.880 114.905 1.00 0.00 C ATOM 490 CG LYS A 33 -241.602 -9.414 114.975 1.00 0.00 C ATOM 491 CD LYS A 33 -241.679 -8.898 116.405 1.00 0.00 C ATOM 492 CE LYS A 33 -240.535 -9.409 117.282 1.00 0.00 C ATOM 493 NZ LYS A 33 -239.192 -9.098 116.721 1.00 0.00 N ATOM 0 H LYS A 33 -239.858 -9.591 113.243 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.672 -12.376 113.520 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -242.121 -11.452 115.304 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -240.421 -11.094 115.537 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -240.841 -8.854 114.431 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -242.552 -9.229 114.474 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -241.664 -7.808 116.394 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -242.630 -9.199 116.844 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -240.620 -8.967 118.275 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -240.631 -10.488 117.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -238.740 -9.976 116.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -239.294 -8.442 115.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -238.602 -8.658 117.456 1.00 0.00 H new ATOM 507 N ALA A 34 -243.327 -11.778 113.118 1.00 0.00 N ATOM 508 CA ALA A 34 -244.575 -11.815 112.371 1.00 0.00 C ATOM 509 C ALA A 34 -245.149 -10.424 112.086 1.00 0.00 C ATOM 510 O ALA A 34 -245.898 -10.260 111.132 1.00 0.00 O ATOM 511 CB ALA A 34 -245.596 -12.647 113.121 1.00 0.00 C ATOM 0 H ALA A 34 -243.372 -12.233 114.030 1.00 0.00 H new ATOM 0 HA ALA A 34 -244.351 -12.267 111.405 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.529 -12.672 112.558 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -245.219 -13.662 113.244 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.775 -12.206 114.101 1.00 0.00 H new ATOM 517 N LYS A 35 -244.812 -9.422 112.898 1.00 0.00 N ATOM 518 CA LYS A 35 -245.425 -8.099 112.718 1.00 0.00 C ATOM 519 C LYS A 35 -244.690 -7.324 111.632 1.00 0.00 C ATOM 520 O LYS A 35 -245.307 -6.800 110.702 1.00 0.00 O ATOM 521 CB LYS A 35 -245.524 -7.289 114.030 1.00 0.00 C ATOM 522 CG LYS A 35 -244.212 -6.735 114.572 1.00 0.00 C ATOM 523 CD LYS A 35 -244.429 -5.402 115.282 1.00 0.00 C ATOM 524 CE LYS A 35 -245.276 -5.546 116.539 1.00 0.00 C ATOM 525 NZ LYS A 35 -244.474 -6.008 117.706 1.00 0.00 N ATOM 0 H LYS A 35 -244.141 -9.491 113.663 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.454 -8.262 112.399 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -246.209 -6.456 113.869 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -245.970 -7.925 114.794 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.770 -7.451 115.264 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -243.504 -6.604 113.754 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -243.463 -4.972 115.545 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -244.913 -4.704 114.599 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -245.740 -4.588 116.775 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -246.084 -6.254 116.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -245.090 -6.092 118.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -244.052 -6.934 117.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -243.719 -5.321 117.902 1.00 0.00 H new ATOM 539 N GLN A 36 -243.360 -7.294 111.735 1.00 0.00 N ATOM 540 CA GLN A 36 -242.529 -6.710 110.696 1.00 0.00 C ATOM 541 C GLN A 36 -242.715 -7.496 109.413 1.00 0.00 C ATOM 542 O GLN A 36 -242.462 -7.012 108.310 1.00 0.00 O ATOM 543 CB GLN A 36 -241.057 -6.724 111.111 1.00 0.00 C ATOM 544 CG GLN A 36 -240.689 -5.668 112.141 1.00 0.00 C ATOM 545 CD GLN A 36 -240.866 -4.255 111.616 1.00 0.00 C ATOM 546 OE1 GLN A 36 -240.762 -4.008 110.415 1.00 0.00 O ATOM 547 NE2 GLN A 36 -241.109 -3.315 112.516 1.00 0.00 N ATOM 0 H GLN A 36 -242.841 -7.669 112.529 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.828 -5.673 110.540 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.814 -7.708 111.513 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.440 -6.581 110.224 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -241.306 -5.802 113.030 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -239.653 -5.811 112.448 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -241.188 -3.562 113.503 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -241.217 -2.344 112.223 1.00 0.00 H new ATOM 556 N LEU A 37 -243.139 -8.736 109.571 1.00 0.00 N ATOM 557 CA LEU A 37 -243.359 -9.583 108.438 1.00 0.00 C ATOM 558 C LEU A 37 -244.696 -9.382 107.801 1.00 0.00 C ATOM 559 O LEU A 37 -244.789 -9.392 106.587 1.00 0.00 O ATOM 560 CB LEU A 37 -243.185 -11.034 108.793 1.00 0.00 C ATOM 561 CG LEU A 37 -242.227 -11.679 107.849 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.834 -11.706 106.466 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.981 -10.842 107.827 1.00 0.00 C ATOM 0 H LEU A 37 -243.334 -9.168 110.474 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.602 -9.294 107.710 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.818 -11.125 109.815 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -244.147 -11.545 108.753 1.00 0.00 H new ATOM 0 HG LEU A 37 -242.002 -12.699 108.161 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -242.137 -12.177 105.772 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.764 -12.274 106.488 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -243.039 -10.687 106.139 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.256 -11.286 107.145 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.226 -9.834 107.491 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.555 -10.797 108.829 1.00 0.00 H new ATOM 575 N LEU A 38 -245.732 -9.224 108.592 1.00 0.00 N ATOM 576 CA LEU A 38 -247.036 -8.959 108.037 1.00 0.00 C ATOM 577 C LEU A 38 -246.915 -7.751 107.106 1.00 0.00 C ATOM 578 O LEU A 38 -247.498 -7.717 106.041 1.00 0.00 O ATOM 579 CB LEU A 38 -248.049 -8.743 109.167 1.00 0.00 C ATOM 580 CG LEU A 38 -249.520 -8.742 108.749 1.00 0.00 C ATOM 581 CD1 LEU A 38 -250.118 -7.360 108.917 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.669 -9.229 107.311 1.00 0.00 C ATOM 0 H LEU A 38 -245.698 -9.274 109.610 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.402 -9.805 107.455 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.903 -9.523 109.914 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.828 -7.792 109.652 1.00 0.00 H new ATOM 0 HG LEU A 38 -250.065 -9.429 109.397 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -251.165 -7.377 108.615 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -250.047 -7.057 109.962 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.573 -6.650 108.295 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.723 -9.221 107.032 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -249.112 -8.571 106.644 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -249.279 -10.243 107.228 1.00 0.00 H new ATOM 594 N GLN A 39 -246.057 -6.831 107.491 1.00 0.00 N ATOM 595 CA GLN A 39 -245.632 -5.736 106.670 1.00 0.00 C ATOM 596 C GLN A 39 -245.089 -6.214 105.351 1.00 0.00 C ATOM 597 O GLN A 39 -245.554 -5.811 104.301 1.00 0.00 O ATOM 598 CB GLN A 39 -244.467 -5.135 107.402 1.00 0.00 C ATOM 599 CG GLN A 39 -243.995 -3.859 106.805 1.00 0.00 C ATOM 600 CD GLN A 39 -242.762 -3.313 107.498 1.00 0.00 C ATOM 601 OE1 GLN A 39 -241.634 -3.605 107.102 1.00 0.00 O ATOM 602 NE2 GLN A 39 -242.963 -2.533 108.543 1.00 0.00 N ATOM 0 H GLN A 39 -245.627 -6.832 108.416 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.467 -5.059 106.488 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.750 -4.960 108.440 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.644 -5.850 107.412 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.775 -4.016 105.749 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.794 -3.120 106.858 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -243.914 -2.314 108.841 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -242.168 -2.149 109.053 1.00 0.00 H new ATOM 611 N GLN A 40 -244.075 -7.056 105.436 1.00 0.00 N ATOM 612 CA GLN A 40 -243.436 -7.624 104.269 1.00 0.00 C ATOM 613 C GLN A 40 -244.440 -8.324 103.364 1.00 0.00 C ATOM 614 O GLN A 40 -244.288 -8.353 102.147 1.00 0.00 O ATOM 615 CB GLN A 40 -242.342 -8.590 104.715 1.00 0.00 C ATOM 616 CG GLN A 40 -241.020 -7.901 104.957 1.00 0.00 C ATOM 617 CD GLN A 40 -240.617 -7.069 103.762 1.00 0.00 C ATOM 618 OE1 GLN A 40 -241.144 -7.440 102.608 1.00 0.00 O flip ATOM 619 NE2 GLN A 40 -239.883 -6.088 103.880 1.00 0.00 N flip ATOM 0 H GLN A 40 -243.672 -7.364 106.321 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.992 -6.816 103.687 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.658 -9.093 105.629 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -242.212 -9.361 103.955 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -241.093 -7.265 105.839 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.250 -8.645 105.163 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -239.501 -5.844 104.794 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -239.656 -5.519 103.064 1.00 0.00 H new ATOM 628 N ILE A 41 -245.466 -8.857 103.981 1.00 0.00 N ATOM 629 CA ILE A 41 -246.537 -9.559 103.295 1.00 0.00 C ATOM 630 C ILE A 41 -247.463 -8.559 102.629 1.00 0.00 C ATOM 631 O ILE A 41 -248.099 -8.820 101.606 1.00 0.00 O ATOM 632 CB ILE A 41 -247.313 -10.403 104.320 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.333 -11.327 105.061 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.413 -11.207 103.661 1.00 0.00 C ATOM 635 CD1 ILE A 41 -245.183 -11.832 104.190 1.00 0.00 C ATOM 0 H ILE A 41 -245.588 -8.817 104.993 1.00 0.00 H new ATOM 0 HA ILE A 41 -246.122 -10.211 102.526 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.791 -9.732 105.033 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -245.921 -10.792 105.917 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.882 -12.183 105.454 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -248.939 -11.791 104.416 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -249.114 -10.531 103.171 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -247.979 -11.879 102.921 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.534 -12.477 104.782 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -245.585 -12.396 103.348 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.609 -10.984 103.818 1.00 0.00 H new ATOM 647 N LEU A 42 -247.516 -7.412 103.253 1.00 0.00 N ATOM 648 CA LEU A 42 -248.314 -6.294 102.816 1.00 0.00 C ATOM 649 C LEU A 42 -247.554 -5.470 101.806 1.00 0.00 C ATOM 650 O LEU A 42 -248.089 -4.554 101.177 1.00 0.00 O ATOM 651 CB LEU A 42 -248.643 -5.500 104.054 1.00 0.00 C ATOM 652 CG LEU A 42 -249.525 -6.292 105.000 1.00 0.00 C ATOM 653 CD1 LEU A 42 -250.055 -5.441 106.099 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.648 -6.955 104.248 1.00 0.00 C ATOM 0 H LEU A 42 -246.989 -7.223 104.106 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.229 -6.618 102.320 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.721 -5.218 104.563 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -249.147 -4.575 103.772 1.00 0.00 H new ATOM 0 HG LEU A 42 -248.908 -7.067 105.456 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -250.682 -6.044 106.756 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -249.225 -5.026 106.670 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -250.647 -4.629 105.677 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.269 -7.518 104.944 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -251.254 -6.195 103.754 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -250.235 -7.632 103.500 1.00 0.00 H new ATOM 666 N THR A 43 -246.303 -5.835 101.653 1.00 0.00 N ATOM 667 CA THR A 43 -245.405 -5.180 100.749 1.00 0.00 C ATOM 668 C THR A 43 -245.678 -5.632 99.301 1.00 0.00 C ATOM 669 O THR A 43 -244.832 -6.207 98.613 1.00 0.00 O ATOM 670 CB THR A 43 -243.938 -5.454 101.189 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.699 -4.855 102.468 1.00 0.00 O ATOM 672 CG2 THR A 43 -242.910 -4.927 100.209 1.00 0.00 C ATOM 0 H THR A 43 -245.879 -6.609 102.165 1.00 0.00 H new ATOM 0 HA THR A 43 -245.567 -4.102 100.779 1.00 0.00 H new ATOM 0 HB THR A 43 -243.826 -6.537 101.231 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.334 -5.215 103.122 1.00 0.00 H new ATOM 0 HG21 THR A 43 -241.909 -5.151 100.576 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.055 -5.402 99.239 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.025 -3.848 100.106 1.00 0.00 H new ATOM 823 N THR A 53 -253.072 -3.379 109.032 1.00 0.00 N ATOM 824 CA THR A 53 -254.369 -3.238 109.659 1.00 0.00 C ATOM 825 C THR A 53 -254.721 -4.474 110.496 1.00 0.00 C ATOM 826 O THR A 53 -253.853 -5.091 111.111 1.00 0.00 O ATOM 827 CB THR A 53 -255.449 -2.951 108.572 1.00 0.00 C ATOM 828 OG1 THR A 53 -256.724 -2.684 109.164 1.00 0.00 O ATOM 829 CG2 THR A 53 -255.581 -4.111 107.590 1.00 0.00 C ATOM 0 HA THR A 53 -254.338 -2.393 110.346 1.00 0.00 H new ATOM 0 HB THR A 53 -255.117 -2.067 108.027 1.00 0.00 H new ATOM 0 HG1 THR A 53 -257.381 -2.506 108.459 1.00 0.00 H new ATOM 0 HG21 THR A 53 -256.343 -3.874 106.847 1.00 0.00 H new ATOM 0 HG22 THR A 53 -254.626 -4.275 107.090 1.00 0.00 H new ATOM 0 HG23 THR A 53 -255.868 -5.014 108.129 1.00 0.00 H new ATOM 837 N ASP A 54 -255.996 -4.810 110.509 1.00 0.00 N ATOM 838 CA ASP A 54 -256.544 -5.906 111.303 1.00 0.00 C ATOM 839 C ASP A 54 -256.027 -7.266 110.862 1.00 0.00 C ATOM 840 O ASP A 54 -256.448 -8.297 111.366 1.00 0.00 O ATOM 841 CB ASP A 54 -258.054 -5.890 111.180 1.00 0.00 C ATOM 842 CG ASP A 54 -258.674 -4.679 111.847 1.00 0.00 C ATOM 843 OD1 ASP A 54 -258.748 -3.615 111.201 1.00 0.00 O ATOM 844 OD2 ASP A 54 -259.079 -4.776 113.022 1.00 0.00 O ATOM 0 H ASP A 54 -256.701 -4.321 109.957 1.00 0.00 H new ATOM 0 HA ASP A 54 -256.227 -5.756 112.335 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -258.330 -5.902 110.126 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -258.462 -6.797 111.627 1.00 0.00 H new ATOM 849 N TYR A 55 -255.133 -7.269 109.914 1.00 0.00 N ATOM 850 CA TYR A 55 -254.529 -8.505 109.447 1.00 0.00 C ATOM 851 C TYR A 55 -253.684 -9.139 110.536 1.00 0.00 C ATOM 852 O TYR A 55 -253.196 -8.456 111.439 1.00 0.00 O ATOM 853 CB TYR A 55 -253.625 -8.254 108.257 1.00 0.00 C ATOM 854 CG TYR A 55 -254.311 -7.734 107.034 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.568 -8.183 106.676 1.00 0.00 C ATOM 856 CD2 TYR A 55 -253.685 -6.801 106.229 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.189 -7.715 105.544 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.292 -6.323 105.094 1.00 0.00 C ATOM 859 CZ TYR A 55 -255.547 -6.780 104.750 1.00 0.00 C ATOM 860 OH TYR A 55 -256.157 -6.303 103.614 1.00 0.00 O ATOM 0 H TYR A 55 -254.799 -6.429 109.441 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.347 -9.168 109.166 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.853 -7.543 108.551 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -253.120 -9.186 108.002 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -256.069 -8.912 107.295 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -252.702 -6.442 106.497 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.171 -8.074 105.275 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -253.790 -5.594 104.475 1.00 0.00 H new ATOM 0 HH TYR A 55 -255.569 -5.653 103.175 1.00 0.00 H new ATOM 870 N PHE A 56 -253.509 -10.440 110.437 1.00 0.00 N ATOM 871 CA PHE A 56 -252.580 -11.148 111.295 1.00 0.00 C ATOM 872 C PHE A 56 -252.099 -12.405 110.610 1.00 0.00 C ATOM 873 O PHE A 56 -252.748 -12.932 109.702 1.00 0.00 O ATOM 874 CB PHE A 56 -253.194 -11.485 112.659 1.00 0.00 C ATOM 875 CG PHE A 56 -254.482 -12.246 112.583 1.00 0.00 C ATOM 876 CD1 PHE A 56 -254.497 -13.635 112.533 1.00 0.00 C ATOM 877 CD2 PHE A 56 -255.683 -11.560 112.565 1.00 0.00 C ATOM 878 CE1 PHE A 56 -255.703 -14.316 112.461 1.00 0.00 C ATOM 879 CE2 PHE A 56 -256.881 -12.234 112.494 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.898 -13.608 112.439 1.00 0.00 C ATOM 0 H PHE A 56 -254.000 -11.032 109.767 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.733 -10.487 111.478 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -252.475 -12.068 113.234 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -253.365 -10.558 113.207 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -253.568 -14.185 112.550 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -255.681 -10.481 112.607 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -255.713 -15.395 112.422 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -257.810 -11.683 112.481 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.838 -14.136 112.379 1.00 0.00 H new ATOM 890 N LEU A 57 -250.971 -12.883 111.069 1.00 0.00 N ATOM 891 CA LEU A 57 -250.331 -14.039 110.526 1.00 0.00 C ATOM 892 C LEU A 57 -250.678 -15.231 111.410 1.00 0.00 C ATOM 893 O LEU A 57 -250.859 -15.064 112.605 1.00 0.00 O ATOM 894 CB LEU A 57 -248.838 -13.697 110.490 1.00 0.00 C ATOM 895 CG LEU A 57 -247.838 -14.833 110.423 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.332 -15.940 109.533 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.515 -14.292 109.935 1.00 0.00 C ATOM 0 H LEU A 57 -250.465 -12.464 111.850 1.00 0.00 H new ATOM 0 HA LEU A 57 -250.652 -14.308 109.520 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.666 -13.053 109.628 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -248.611 -13.108 111.378 1.00 0.00 H new ATOM 0 HG LEU A 57 -247.709 -15.258 111.418 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -247.593 -16.741 109.505 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.273 -16.328 109.923 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.488 -15.555 108.525 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -245.788 -15.102 109.883 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.643 -13.856 108.944 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.158 -13.527 110.625 1.00 0.00 H new ATOM 909 N MET A 58 -250.864 -16.406 110.806 1.00 0.00 N ATOM 910 CA MET A 58 -251.277 -17.592 111.543 1.00 0.00 C ATOM 911 C MET A 58 -251.038 -18.886 110.744 1.00 0.00 C ATOM 912 O MET A 58 -250.932 -18.861 109.505 1.00 0.00 O ATOM 913 CB MET A 58 -252.736 -17.450 111.937 1.00 0.00 C ATOM 914 CG MET A 58 -253.610 -17.088 110.777 1.00 0.00 C ATOM 915 SD MET A 58 -253.841 -18.466 109.662 1.00 0.00 S ATOM 916 CE MET A 58 -255.313 -19.178 110.342 1.00 0.00 C ATOM 0 H MET A 58 -250.734 -16.557 109.806 1.00 0.00 H new ATOM 0 HA MET A 58 -250.664 -17.671 112.441 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.084 -18.387 112.372 1.00 0.00 H new ATOM 0 HB3 MET A 58 -252.828 -16.686 112.709 1.00 0.00 H new ATOM 0 HG2 MET A 58 -254.580 -16.751 111.144 1.00 0.00 H new ATOM 0 HG3 MET A 58 -253.167 -16.253 110.235 1.00 0.00 H new ATOM 0 HE1 MET A 58 -255.075 -20.140 110.797 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.724 -18.510 111.099 1.00 0.00 H new ATOM 0 HE3 MET A 58 -256.047 -19.323 109.549 1.00 0.00 H new ATOM 926 N GLU A 59 -250.939 -20.002 111.468 1.00 0.00 N ATOM 927 CA GLU A 59 -250.747 -21.328 110.871 1.00 0.00 C ATOM 928 C GLU A 59 -252.047 -22.127 110.833 1.00 0.00 C ATOM 929 O GLU A 59 -252.889 -22.001 111.723 1.00 0.00 O ATOM 930 CB GLU A 59 -249.759 -22.169 111.681 1.00 0.00 C ATOM 931 CG GLU A 59 -248.352 -21.625 111.781 1.00 0.00 C ATOM 932 CD GLU A 59 -247.438 -22.617 112.470 1.00 0.00 C ATOM 933 OE1 GLU A 59 -247.576 -22.808 113.698 1.00 0.00 O ATOM 934 OE2 GLU A 59 -246.611 -23.248 111.780 1.00 0.00 O ATOM 0 H GLU A 59 -250.990 -20.014 112.487 1.00 0.00 H new ATOM 0 HA GLU A 59 -250.375 -21.141 109.864 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -250.154 -22.287 112.690 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -249.712 -23.164 111.239 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -247.971 -21.405 110.784 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -248.359 -20.686 112.334 1.00 0.00 H new ATOM 1262 N ARG A 78 -253.314 -22.050 114.510 1.00 0.00 N ATOM 1263 CA ARG A 78 -252.551 -21.227 115.437 1.00 0.00 C ATOM 1264 C ARG A 78 -252.491 -19.797 114.945 1.00 0.00 C ATOM 1265 O ARG A 78 -251.819 -19.508 113.961 1.00 0.00 O ATOM 1266 CB ARG A 78 -251.120 -21.754 115.585 1.00 0.00 C ATOM 1267 CG ARG A 78 -251.024 -23.230 115.922 1.00 0.00 C ATOM 1268 CD ARG A 78 -249.578 -23.648 116.131 1.00 0.00 C ATOM 1269 NE ARG A 78 -249.003 -23.034 117.329 1.00 0.00 N ATOM 1270 CZ ARG A 78 -247.862 -22.341 117.346 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -247.179 -22.132 116.224 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -247.406 -21.847 118.492 1.00 0.00 N ATOM 0 HA ARG A 78 -253.053 -21.267 116.404 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -250.581 -21.571 114.655 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -250.615 -21.183 116.364 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -251.601 -23.439 116.823 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -251.464 -23.820 115.118 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -249.522 -24.733 116.216 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -248.988 -23.366 115.259 1.00 0.00 H new ATOM 0 HE ARG A 78 -249.507 -23.143 118.209 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -247.526 -22.503 115.339 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -246.308 -21.601 116.248 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -247.927 -21.998 119.356 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -246.535 -21.317 118.508 1.00 0.00 H new ATOM 1286 N ALA A 79 -253.180 -18.901 115.626 1.00 0.00 N ATOM 1287 CA ALA A 79 -253.125 -17.499 115.267 1.00 0.00 C ATOM 1288 C ALA A 79 -251.816 -16.889 115.777 1.00 0.00 C ATOM 1289 O ALA A 79 -251.646 -16.697 116.982 1.00 0.00 O ATOM 1290 CB ALA A 79 -254.323 -16.753 115.835 1.00 0.00 C ATOM 0 H ALA A 79 -253.779 -19.117 116.423 1.00 0.00 H new ATOM 0 HA ALA A 79 -253.158 -17.409 114.181 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -254.263 -15.701 115.554 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -255.242 -17.183 115.437 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -254.323 -16.839 116.922 1.00 0.00 H new ATOM 1296 N ILE A 80 -250.897 -16.610 114.862 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.565 -16.125 115.213 1.00 0.00 C ATOM 1298 C ILE A 80 -249.597 -14.724 115.824 1.00 0.00 C ATOM 1299 O ILE A 80 -250.203 -13.805 115.268 1.00 0.00 O ATOM 1300 CB ILE A 80 -248.638 -16.115 113.998 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.388 -17.542 113.544 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.321 -15.424 114.324 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.535 -17.593 112.321 1.00 0.00 C ATOM 0 H ILE A 80 -251.051 -16.712 113.859 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.181 -16.820 115.960 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.117 -15.557 113.194 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -247.906 -18.100 114.347 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -249.341 -18.032 113.343 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -246.679 -15.430 113.443 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -247.515 -14.394 114.624 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -246.825 -15.952 115.138 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -247.380 -18.632 112.029 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -248.029 -17.058 111.510 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -246.572 -17.127 112.529 1.00 0.00 H new ATOM 1315 N GLY A 81 -248.961 -14.569 116.977 1.00 0.00 N ATOM 1316 CA GLY A 81 -248.763 -13.250 117.542 1.00 0.00 C ATOM 1317 C GLY A 81 -247.406 -12.690 117.156 1.00 0.00 C ATOM 1318 O GLY A 81 -246.532 -13.447 116.745 1.00 0.00 O ATOM 0 H GLY A 81 -248.578 -15.335 117.532 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.549 -12.580 117.194 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -248.844 -13.300 118.628 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.191 -11.372 117.285 1.00 0.00 N ATOM 1323 CA PRO A 82 -245.938 -10.731 116.899 1.00 0.00 C ATOM 1324 C PRO A 82 -244.742 -11.246 117.687 1.00 0.00 C ATOM 1325 O PRO A 82 -243.632 -11.333 117.160 1.00 0.00 O ATOM 1326 CB PRO A 82 -246.181 -9.244 117.177 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.661 -9.115 117.219 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.136 -10.403 117.816 1.00 0.00 C ATOM 0 HA PRO A 82 -245.688 -10.939 115.859 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -245.728 -8.936 118.120 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -245.749 -8.618 116.396 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -247.967 -8.261 117.823 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -248.074 -8.964 116.222 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.117 -10.375 118.905 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.160 -10.633 117.520 1.00 0.00 H new ATOM 1336 N GLU A 83 -244.973 -11.557 118.955 1.00 0.00 N ATOM 1337 CA GLU A 83 -243.972 -12.160 119.811 1.00 0.00 C ATOM 1338 C GLU A 83 -243.476 -13.487 119.244 1.00 0.00 C ATOM 1339 O GLU A 83 -242.294 -13.817 119.355 1.00 0.00 O ATOM 1340 CB GLU A 83 -244.573 -12.360 121.189 1.00 0.00 C ATOM 1341 CG GLU A 83 -244.705 -11.065 121.970 1.00 0.00 C ATOM 1342 CD GLU A 83 -245.451 -9.970 121.229 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -246.647 -10.147 120.937 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -244.831 -8.923 120.931 1.00 0.00 O ATOM 0 H GLU A 83 -245.868 -11.395 119.418 1.00 0.00 H new ATOM 0 HA GLU A 83 -243.109 -11.497 119.872 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -245.556 -12.819 121.088 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -243.953 -13.057 121.753 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -245.220 -11.270 122.909 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -243.709 -10.703 122.225 1.00 0.00 H new ATOM 1351 N GLU A 84 -244.391 -14.237 118.644 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.047 -15.488 117.981 1.00 0.00 C ATOM 1353 C GLU A 84 -243.386 -15.192 116.638 1.00 0.00 C ATOM 1354 O GLU A 84 -244.035 -14.721 115.702 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.297 -16.341 117.775 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.029 -16.654 119.065 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.345 -17.361 118.827 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.348 -16.678 118.542 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -247.389 -18.605 118.932 1.00 0.00 O ATOM 0 H GLU A 84 -245.382 -13.999 118.603 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.350 -16.042 118.609 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -245.975 -15.822 117.098 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.015 -17.275 117.290 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.395 -17.276 119.697 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.211 -15.728 119.610 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.095 -15.450 116.550 1.00 0.00 N ATOM 1367 CA GLU A 85 -241.344 -15.101 115.359 1.00 0.00 C ATOM 1368 C GLU A 85 -241.279 -16.281 114.394 1.00 0.00 C ATOM 1369 O GLU A 85 -241.033 -17.424 114.789 1.00 0.00 O ATOM 1370 CB GLU A 85 -239.960 -14.580 115.747 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.047 -13.376 116.676 1.00 0.00 C ATOM 1372 CD GLU A 85 -238.729 -12.659 116.881 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.355 -11.840 116.018 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -238.086 -12.877 117.930 1.00 0.00 O ATOM 0 H GLU A 85 -241.547 -15.898 117.285 1.00 0.00 H new ATOM 0 HA GLU A 85 -241.857 -14.297 114.831 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -239.396 -15.375 116.235 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -239.410 -14.305 114.847 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -240.774 -12.671 116.273 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -240.425 -13.704 117.644 1.00 0.00 H new ATOM 1381 N ILE A 86 -241.496 -15.979 113.124 1.00 0.00 N ATOM 1382 CA ILE A 86 -241.755 -16.988 112.104 1.00 0.00 C ATOM 1383 C ILE A 86 -240.577 -17.920 111.870 1.00 0.00 C ATOM 1384 O ILE A 86 -240.765 -19.081 111.516 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.152 -16.333 110.776 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.018 -15.449 110.245 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -243.418 -15.524 110.977 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -241.325 -14.797 108.920 1.00 0.00 C ATOM 0 H ILE A 86 -241.498 -15.023 112.768 1.00 0.00 H new ATOM 0 HA ILE A 86 -242.580 -17.590 112.485 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.338 -17.110 110.034 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -240.800 -14.673 110.979 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.117 -16.053 110.142 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -243.704 -15.056 110.035 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.220 -16.181 111.314 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -243.242 -14.752 111.726 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -240.476 -14.188 108.609 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -241.513 -15.566 108.171 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -242.207 -14.165 109.021 1.00 0.00 H new ATOM 1400 N MET A 87 -239.366 -17.430 112.074 1.00 0.00 N ATOM 1401 CA MET A 87 -238.193 -18.255 111.858 1.00 0.00 C ATOM 1402 C MET A 87 -238.102 -19.315 112.949 1.00 0.00 C ATOM 1403 O MET A 87 -237.494 -20.369 112.764 1.00 0.00 O ATOM 1404 CB MET A 87 -236.929 -17.399 111.806 1.00 0.00 C ATOM 1405 CG MET A 87 -235.769 -18.080 111.098 1.00 0.00 C ATOM 1406 SD MET A 87 -236.208 -18.642 109.434 1.00 0.00 S ATOM 1407 CE MET A 87 -236.787 -17.119 108.682 1.00 0.00 C ATOM 0 H MET A 87 -239.172 -16.478 112.385 1.00 0.00 H new ATOM 0 HA MET A 87 -238.284 -18.758 110.895 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.155 -16.461 111.299 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.627 -17.147 112.823 1.00 0.00 H new ATOM 0 HG2 MET A 87 -234.929 -17.388 111.035 1.00 0.00 H new ATOM 0 HG3 MET A 87 -235.436 -18.932 111.690 1.00 0.00 H new ATOM 0 HE1 MET A 87 -236.872 -17.255 107.604 1.00 0.00 H new ATOM 0 HE2 MET A 87 -237.763 -16.858 109.093 1.00 0.00 H new ATOM 0 HE3 MET A 87 -236.079 -16.317 108.892 1.00 0.00 H new ATOM 1417 N GLN A 88 -238.753 -19.045 114.078 1.00 0.00 N ATOM 1418 CA GLN A 88 -238.817 -20.010 115.173 1.00 0.00 C ATOM 1419 C GLN A 88 -239.851 -21.057 114.822 1.00 0.00 C ATOM 1420 O GLN A 88 -239.703 -22.249 115.105 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.208 -19.320 116.479 1.00 0.00 C ATOM 1422 CG GLN A 88 -238.273 -18.197 116.876 1.00 0.00 C ATOM 1423 CD GLN A 88 -238.808 -17.379 118.037 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -240.021 -17.231 118.198 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -237.913 -16.850 118.858 1.00 0.00 N ATOM 0 H GLN A 88 -239.242 -18.168 114.258 1.00 0.00 H new ATOM 0 HA GLN A 88 -237.838 -20.469 115.312 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.218 -18.923 116.382 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.232 -20.061 117.278 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -237.303 -18.614 117.146 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -238.111 -17.543 116.019 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -236.918 -16.996 118.690 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -238.219 -16.297 119.658 1.00 0.00 H new ATOM 1434 N ILE A 89 -240.896 -20.572 114.176 1.00 0.00 N ATOM 1435 CA ILE A 89 -242.008 -21.391 113.736 1.00 0.00 C ATOM 1436 C ILE A 89 -241.557 -22.391 112.680 1.00 0.00 C ATOM 1437 O ILE A 89 -241.779 -23.594 112.799 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.100 -20.496 113.140 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.440 -19.381 114.126 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.339 -21.305 112.790 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -243.799 -19.862 115.514 1.00 0.00 C ATOM 0 H ILE A 89 -240.996 -19.585 113.940 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.396 -21.935 114.597 1.00 0.00 H new ATOM 0 HB ILE A 89 -242.727 -20.053 112.216 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -242.588 -18.704 114.198 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.274 -18.803 113.728 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -245.098 -20.645 112.369 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -244.079 -22.071 112.060 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.730 -21.780 113.690 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.026 -19.005 116.149 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.671 -20.514 115.459 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -242.959 -20.414 115.936 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.885 -21.869 111.667 1.00 0.00 N ATOM 1454 CA LEU A 90 -240.413 -22.666 110.545 1.00 0.00 C ATOM 1455 C LEU A 90 -239.241 -23.552 110.953 1.00 0.00 C ATOM 1456 O LEU A 90 -238.944 -24.548 110.293 1.00 0.00 O ATOM 1457 CB LEU A 90 -240.020 -21.737 109.398 1.00 0.00 C ATOM 1458 CG LEU A 90 -241.160 -20.854 108.882 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -240.616 -19.709 108.051 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -242.147 -21.682 108.072 1.00 0.00 C ATOM 0 H LEU A 90 -240.651 -20.879 111.599 1.00 0.00 H new ATOM 0 HA LEU A 90 -241.217 -23.325 110.215 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -239.202 -21.097 109.729 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -239.640 -22.339 108.572 1.00 0.00 H new ATOM 0 HG LEU A 90 -241.684 -20.433 109.740 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -241.442 -19.094 107.694 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -239.948 -19.101 108.662 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -240.066 -20.107 107.199 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.951 -21.040 107.712 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -241.634 -22.131 107.222 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -242.564 -22.469 108.701 1.00 0.00 H new ATOM 1472 N SER A 91 -238.566 -23.179 112.035 1.00 0.00 N ATOM 1473 CA SER A 91 -237.519 -24.016 112.599 1.00 0.00 C ATOM 1474 C SER A 91 -238.140 -25.278 113.194 1.00 0.00 C ATOM 1475 O SER A 91 -237.538 -26.350 113.183 1.00 0.00 O ATOM 1476 CB SER A 91 -236.752 -23.244 113.676 1.00 0.00 C ATOM 1477 OG SER A 91 -235.415 -23.700 113.789 1.00 0.00 O ATOM 0 H SER A 91 -238.726 -22.305 112.536 1.00 0.00 H new ATOM 0 HA SER A 91 -236.820 -24.299 111.812 1.00 0.00 H new ATOM 0 HB2 SER A 91 -236.756 -22.181 113.435 1.00 0.00 H new ATOM 0 HB3 SER A 91 -237.258 -23.356 114.635 1.00 0.00 H new ATOM 0 HG SER A 91 -234.952 -23.186 114.483 1.00 0.00 H new ATOM 1658 N ILE A 103 -249.519 -21.061 105.934 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.797 -19.755 106.486 1.00 0.00 C ATOM 1660 C ILE A 103 -250.917 -19.091 105.705 1.00 0.00 C ATOM 1661 O ILE A 103 -250.802 -18.891 104.495 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.550 -18.841 106.455 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.544 -19.272 107.532 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.943 -17.378 106.625 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.339 -18.358 107.641 1.00 0.00 C ATOM 0 HA ILE A 103 -250.093 -19.896 107.525 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.072 -18.944 105.481 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -248.051 -19.307 108.496 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -247.203 -20.284 107.314 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -248.048 -16.756 106.600 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.612 -17.085 105.816 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.450 -17.246 107.581 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.673 -18.725 108.422 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.808 -18.341 106.689 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.669 -17.349 107.890 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.992 -18.747 106.384 1.00 0.00 N ATOM 1678 CA VAL A 104 -253.059 -18.013 105.749 1.00 0.00 C ATOM 1679 C VAL A 104 -253.149 -16.675 106.404 1.00 0.00 C ATOM 1680 O VAL A 104 -253.578 -16.565 107.543 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.450 -18.695 105.804 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -254.756 -19.418 104.506 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.571 -19.640 106.959 1.00 0.00 C ATOM 0 H VAL A 104 -252.147 -18.964 107.369 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.807 -17.952 104.690 1.00 0.00 H new ATOM 0 HB VAL A 104 -255.182 -17.900 105.947 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -255.738 -19.887 104.573 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -254.750 -18.704 103.682 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -254.000 -20.183 104.329 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.562 -20.093 106.956 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.815 -20.420 106.872 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -254.424 -19.095 107.892 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.678 -15.662 105.721 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.802 -14.336 106.245 1.00 0.00 C ATOM 1695 C LEU A 105 -254.276 -14.044 106.451 1.00 0.00 C ATOM 1696 O LEU A 105 -255.034 -13.902 105.493 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.223 -13.315 105.298 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.099 -11.934 105.901 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -251.201 -12.009 107.117 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.575 -10.943 104.878 1.00 0.00 C ATOM 0 H LEU A 105 -252.213 -15.732 104.816 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.253 -14.274 107.185 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.238 -13.650 104.973 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -252.851 -13.259 104.409 1.00 0.00 H new ATOM 0 HG LEU A 105 -253.082 -11.578 106.210 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -251.105 -11.018 107.560 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.634 -12.692 107.848 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.217 -12.371 106.821 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.494 -9.957 105.335 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.593 -11.264 104.531 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.261 -10.896 104.032 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.682 -13.994 107.689 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.085 -13.862 107.993 1.00 0.00 C ATOM 1714 C LYS A 106 -256.428 -12.398 108.212 1.00 0.00 C ATOM 1715 O LYS A 106 -255.560 -11.525 108.144 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.473 -14.670 109.229 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.232 -16.161 109.088 1.00 0.00 C ATOM 1718 CD LYS A 106 -256.952 -16.758 107.887 1.00 0.00 C ATOM 1719 CE LYS A 106 -258.446 -16.882 108.123 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.764 -17.868 109.192 1.00 0.00 N ATOM 0 H LYS A 106 -254.068 -14.042 108.502 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.648 -14.253 107.145 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.909 -14.300 110.085 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.528 -14.501 109.445 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.162 -16.345 108.994 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.564 -16.667 109.995 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -256.774 -16.134 107.011 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -256.537 -17.742 107.668 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -258.851 -15.908 108.397 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -258.935 -17.182 107.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -259.767 -18.137 109.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -258.170 -18.714 109.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.577 -17.443 110.123 1.00 0.00 H new ATOM 1734 N THR A 107 -257.680 -12.139 108.513 1.00 0.00 N ATOM 1735 CA THR A 107 -258.143 -10.818 108.804 1.00 0.00 C ATOM 1736 C THR A 107 -258.892 -10.891 110.129 1.00 0.00 C ATOM 1737 O THR A 107 -259.608 -11.862 110.395 1.00 0.00 O ATOM 1738 CB THR A 107 -259.081 -10.287 107.694 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.238 -11.126 107.578 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.368 -10.244 106.351 1.00 0.00 C ATOM 0 H THR A 107 -258.407 -12.853 108.561 1.00 0.00 H new ATOM 0 HA THR A 107 -257.298 -10.132 108.860 1.00 0.00 H new ATOM 0 HB THR A 107 -259.382 -9.277 107.971 1.00 0.00 H new ATOM 0 HG1 THR A 107 -260.825 -10.779 106.874 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.050 -9.867 105.589 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.502 -9.586 106.420 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.041 -11.248 106.081 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.698 -9.901 110.967 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.356 -9.822 112.274 1.00 0.00 C ATOM 1750 C GLN A 108 -260.809 -9.394 112.094 1.00 0.00 C ATOM 1751 O GLN A 108 -261.396 -8.704 112.930 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.604 -8.820 113.154 1.00 0.00 C ATOM 1753 CG GLN A 108 -258.922 -8.906 114.631 1.00 0.00 C ATOM 1754 CD GLN A 108 -258.563 -10.249 115.237 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -259.382 -11.171 115.269 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -257.331 -10.376 115.701 1.00 0.00 N ATOM 0 H GLN A 108 -258.077 -9.116 110.771 1.00 0.00 H new ATOM 0 HA GLN A 108 -259.342 -10.799 112.757 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -257.533 -8.971 113.018 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -258.830 -7.812 112.806 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -258.383 -8.119 115.159 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -259.986 -8.719 114.780 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -256.685 -9.588 115.655 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -257.027 -11.262 116.105 1.00 0.00 H new