USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 471 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 215 MET CE :methyl -131:sc=-0.00804 (180deg=-1.19) USER MOD Set 1.2: A 219 GLN : amide:sc= 0 X(o=-0.008,f=-0.079) USER MOD Set 2.1: A 155 GLN : amide:sc= -2.97! C(o=-3.7!,f=-9.8!) USER MOD Set 2.2: A 198 CYS SG : rot 122:sc= 0.217 USER MOD Set 2.3: A 218 CYS SG : rot 169:sc= -0.913 USER MOD Single : A 149 SER OG : rot 180:sc= -0.0298 USER MOD Single : A 164 TYR OH : rot -170:sc= -0.0959 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ -155:sc= -0.0183 (180deg=-0.0684) USER MOD Single : A 171 THR OG1 : rot 86:sc= 0.826 USER MOD Single : A 186 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.0895 K(o=-0.09,f=-1.8!) USER MOD Single : A 193 ASN : amide:sc= -5.3! C(o=-5.3!,f=-6.7!) USER MOD Single : A 195 ASN : amide:sc= -2.82! C(o=-2.8!,f=-5.7!) USER MOD Single : A 199 LYS NZ :NH3+ -161:sc= -0.527 (180deg=-0.618) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ -151:sc= -0.0911 (180deg=-0.589) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 214 MET CE :methyl -161:sc= -0.132 (180deg=-1.02) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.084 6.280 6.433 1.00 0.00 N ATOM 16 CA SER A 149 -12.679 5.054 7.100 1.00 0.00 C ATOM 17 C SER A 149 -11.506 4.415 6.355 1.00 0.00 C ATOM 18 O SER A 149 -11.640 3.328 5.795 1.00 0.00 O ATOM 19 CB SER A 149 -13.846 4.070 7.200 1.00 0.00 C ATOM 20 OG SER A 149 -13.566 2.999 8.098 1.00 0.00 O ATOM 0 HA SER A 149 -12.363 5.304 8.113 1.00 0.00 H new ATOM 0 HB2 SER A 149 -14.739 4.599 7.534 1.00 0.00 H new ATOM 0 HB3 SER A 149 -14.066 3.666 6.212 1.00 0.00 H new ATOM 0 HG SER A 149 -14.336 2.394 8.135 1.00 0.00 H new ATOM 26 N ILE A 150 -10.383 5.117 6.372 1.00 0.00 N ATOM 27 CA ILE A 150 -9.186 4.631 5.704 1.00 0.00 C ATOM 28 C ILE A 150 -8.687 3.371 6.415 1.00 0.00 C ATOM 29 O ILE A 150 -7.853 2.642 5.880 1.00 0.00 O ATOM 30 CB ILE A 150 -8.137 5.739 5.609 1.00 0.00 C ATOM 31 CG1 ILE A 150 -6.749 5.159 5.335 1.00 0.00 C ATOM 32 CG2 ILE A 150 -8.154 6.619 6.863 1.00 0.00 C ATOM 33 CD1 ILE A 150 -5.912 6.118 4.485 1.00 0.00 C ATOM 0 H ILE A 150 -10.276 6.018 6.837 1.00 0.00 H new ATOM 0 HA ILE A 150 -9.412 4.350 4.675 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.391 6.378 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -6.239 4.965 6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.846 4.202 4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.399 7.399 6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -9.137 7.077 6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -7.938 6.008 7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -4.930 5.682 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.413 6.291 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -5.797 7.065 5.012 1.00 0.00 H new ATOM 45 N LEU A 151 -9.219 3.153 7.608 1.00 0.00 N ATOM 46 CA LEU A 151 -8.837 1.994 8.398 1.00 0.00 C ATOM 47 C LEU A 151 -9.317 0.724 7.694 1.00 0.00 C ATOM 48 O LEU A 151 -8.797 -0.364 7.944 1.00 0.00 O ATOM 49 CB LEU A 151 -9.347 2.131 9.834 1.00 0.00 C ATOM 50 CG LEU A 151 -10.800 2.588 9.988 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.631 1.532 10.719 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.876 3.954 10.675 1.00 0.00 C ATOM 0 H LEU A 151 -9.912 3.759 8.047 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.752 1.927 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -9.235 1.168 10.332 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.706 2.839 10.360 1.00 0.00 H new ATOM 0 HG LEU A 151 -11.229 2.704 8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.659 1.881 10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.615 0.601 10.153 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -11.211 1.361 11.710 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.919 4.255 10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.424 3.889 11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.339 4.692 10.078 1.00 0.00 H new ATOM 64 N ASP A 152 -10.303 0.901 6.827 1.00 0.00 N ATOM 65 CA ASP A 152 -10.858 -0.218 6.085 1.00 0.00 C ATOM 66 C ASP A 152 -10.016 -0.462 4.832 1.00 0.00 C ATOM 67 O ASP A 152 -10.071 -1.539 4.242 1.00 0.00 O ATOM 68 CB ASP A 152 -12.294 0.074 5.641 1.00 0.00 C ATOM 69 CG ASP A 152 -13.201 -1.154 5.544 1.00 0.00 C ATOM 70 OD1 ASP A 152 -12.741 -2.268 5.258 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.450 -0.928 5.779 1.00 0.00 O ATOM 0 H ASP A 152 -10.732 1.803 6.622 1.00 0.00 H new ATOM 0 HA ASP A 152 -10.852 -1.091 6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.738 0.781 6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.265 0.564 4.668 1.00 0.00 H new ATOM 77 N ILE A 153 -9.255 0.559 4.461 1.00 0.00 N ATOM 78 CA ILE A 153 -8.402 0.469 3.288 1.00 0.00 C ATOM 79 C ILE A 153 -7.286 -0.544 3.550 1.00 0.00 C ATOM 80 O ILE A 153 -6.374 -0.279 4.332 1.00 0.00 O ATOM 81 CB ILE A 153 -7.894 1.855 2.887 1.00 0.00 C ATOM 82 CG1 ILE A 153 -9.016 2.695 2.276 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.684 1.748 1.958 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.346 2.435 2.986 1.00 0.00 C ATOM 0 H ILE A 153 -9.212 1.452 4.952 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.969 0.104 2.432 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.562 2.371 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.763 3.753 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.114 2.461 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.343 2.747 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.881 1.215 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.965 1.205 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -11.126 3.045 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.609 1.381 2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -10.252 2.693 4.041 1.00 0.00 H new ATOM 96 N ARG A 154 -7.395 -1.683 2.883 1.00 0.00 N ATOM 97 CA ARG A 154 -6.406 -2.737 3.035 1.00 0.00 C ATOM 98 C ARG A 154 -6.140 -3.412 1.688 1.00 0.00 C ATOM 99 O ARG A 154 -6.870 -3.191 0.723 1.00 0.00 O ATOM 100 CB ARG A 154 -6.874 -3.790 4.042 1.00 0.00 C ATOM 101 CG ARG A 154 -5.789 -4.073 5.083 1.00 0.00 C ATOM 102 CD ARG A 154 -5.940 -5.481 5.662 1.00 0.00 C ATOM 103 NE ARG A 154 -4.688 -5.887 6.340 1.00 0.00 N ATOM 104 CZ ARG A 154 -4.463 -7.121 6.839 1.00 0.00 C ATOM 105 NH1 ARG A 154 -5.404 -8.083 6.737 1.00 0.00 N ATOM 106 NH2 ARG A 154 -3.308 -7.374 7.424 1.00 0.00 N ATOM 0 H ARG A 154 -8.153 -1.900 2.236 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.488 -2.280 3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.780 -3.445 4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.130 -4.711 3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.805 -3.967 4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.849 -3.337 5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.770 -5.506 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -6.178 -6.187 4.866 1.00 0.00 H new ATOM 0 HE ARG A 154 -3.949 -5.191 6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -6.293 -7.880 6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -5.226 -9.013 7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -2.601 -6.642 7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -3.122 -8.301 7.806 1.00 0.00 H new ATOM 120 N GLN A 155 -5.091 -4.222 1.666 1.00 0.00 N ATOM 121 CA GLN A 155 -4.719 -4.930 0.452 1.00 0.00 C ATOM 122 C GLN A 155 -5.561 -6.198 0.300 1.00 0.00 C ATOM 123 O GLN A 155 -5.216 -7.248 0.840 1.00 0.00 O ATOM 124 CB GLN A 155 -3.224 -5.261 0.448 1.00 0.00 C ATOM 125 CG GLN A 155 -2.393 -4.035 0.064 1.00 0.00 C ATOM 126 CD GLN A 155 -0.931 -4.213 0.479 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.505 -5.272 0.907 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.189 -3.119 0.328 1.00 0.00 N ATOM 0 H GLN A 155 -4.488 -4.404 2.468 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.917 -4.281 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.923 -5.614 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.029 -6.072 -0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.452 -3.873 -1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.805 -3.147 0.543 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.609 -2.264 -0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.800 -3.135 0.577 1.00 0.00 H new ATOM 196 N PRO A 160 -5.882 -5.438 -6.374 1.00 0.00 N ATOM 197 CA PRO A 160 -4.488 -5.087 -6.586 1.00 0.00 C ATOM 198 C PRO A 160 -4.052 -3.973 -5.633 1.00 0.00 C ATOM 199 O PRO A 160 -4.879 -3.397 -4.928 1.00 0.00 O ATOM 200 CB PRO A 160 -4.402 -4.684 -8.050 1.00 0.00 C ATOM 201 CG PRO A 160 -5.826 -4.378 -8.481 1.00 0.00 C ATOM 202 CD PRO A 160 -6.765 -4.926 -7.418 1.00 0.00 C ATOM 0 HA PRO A 160 -3.809 -5.913 -6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -3.759 -3.813 -8.178 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -3.975 -5.487 -8.652 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -5.967 -3.303 -8.597 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.038 -4.833 -9.448 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.425 -4.148 -7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.402 -5.714 -7.820 1.00 0.00 H new ATOM 210 N PHE A 161 -2.755 -3.703 -5.643 1.00 0.00 N ATOM 211 CA PHE A 161 -2.199 -2.669 -4.787 1.00 0.00 C ATOM 212 C PHE A 161 -2.625 -1.279 -5.261 1.00 0.00 C ATOM 213 O PHE A 161 -2.805 -0.370 -4.451 1.00 0.00 O ATOM 214 CB PHE A 161 -0.676 -2.781 -4.879 1.00 0.00 C ATOM 215 CG PHE A 161 0.077 -1.772 -4.011 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.018 -1.863 -2.656 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.806 -0.784 -4.595 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.716 -0.926 -1.850 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.505 0.154 -3.789 1.00 0.00 C ATOM 220 CZ PHE A 161 1.445 0.062 -2.433 1.00 0.00 C ATOM 0 H PHE A 161 -2.073 -4.183 -6.231 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.555 -2.801 -3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.378 -3.788 -4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.374 -2.647 -5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.560 -2.649 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.854 -0.712 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.668 -0.998 -0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.084 0.939 -4.252 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.977 0.774 -1.820 1.00 0.00 H new ATOM 230 N ARG A 162 -2.774 -1.155 -6.572 1.00 0.00 N ATOM 231 CA ARG A 162 -3.176 0.110 -7.165 1.00 0.00 C ATOM 232 C ARG A 162 -4.551 0.529 -6.639 1.00 0.00 C ATOM 233 O ARG A 162 -4.754 1.686 -6.278 1.00 0.00 O ATOM 234 CB ARG A 162 -3.229 0.011 -8.690 1.00 0.00 C ATOM 235 CG ARG A 162 -2.653 1.272 -9.340 1.00 0.00 C ATOM 236 CD ARG A 162 -2.430 1.062 -10.840 1.00 0.00 C ATOM 237 NE ARG A 162 -2.676 2.323 -11.570 1.00 0.00 N ATOM 238 CZ ARG A 162 -2.571 2.456 -12.909 1.00 0.00 C ATOM 239 NH1 ARG A 162 -2.222 1.403 -13.678 1.00 0.00 N ATOM 240 NH2 ARG A 162 -2.815 3.632 -13.457 1.00 0.00 N ATOM 0 H ARG A 162 -2.623 -1.910 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.433 0.858 -6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.668 -0.863 -9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.260 -0.131 -9.014 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.333 2.109 -9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.709 1.534 -8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -1.410 0.721 -11.020 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.097 0.283 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 162 -2.942 3.145 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -2.035 0.497 -13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.145 1.513 -14.689 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -3.078 4.423 -12.870 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.740 3.749 -14.467 1.00 0.00 H new ATOM 254 N ASP A 163 -5.458 -0.436 -6.615 1.00 0.00 N ATOM 255 CA ASP A 163 -6.808 -0.182 -6.140 1.00 0.00 C ATOM 256 C ASP A 163 -6.767 0.134 -4.644 1.00 0.00 C ATOM 257 O ASP A 163 -7.537 0.961 -4.159 1.00 0.00 O ATOM 258 CB ASP A 163 -7.702 -1.407 -6.341 1.00 0.00 C ATOM 259 CG ASP A 163 -8.656 -1.322 -7.535 1.00 0.00 C ATOM 260 OD1 ASP A 163 -8.440 -0.538 -8.471 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.671 -2.116 -7.476 1.00 0.00 O ATOM 0 H ASP A 163 -5.285 -1.395 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.213 0.656 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.068 -2.285 -6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.289 -1.562 -5.436 1.00 0.00 H new ATOM 267 N TYR A 164 -5.860 -0.543 -3.954 1.00 0.00 N ATOM 268 CA TYR A 164 -5.708 -0.346 -2.523 1.00 0.00 C ATOM 269 C TYR A 164 -5.219 1.072 -2.213 1.00 0.00 C ATOM 270 O TYR A 164 -5.702 1.709 -1.280 1.00 0.00 O ATOM 271 CB TYR A 164 -4.648 -1.350 -2.067 1.00 0.00 C ATOM 272 CG TYR A 164 -4.095 -1.081 -0.666 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.962 -0.885 0.390 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.732 -1.034 -0.459 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.442 -0.631 1.709 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.213 -0.780 0.860 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.093 -0.592 1.880 1.00 0.00 C ATOM 278 OH TYR A 164 -2.602 -0.354 3.124 1.00 0.00 O ATOM 0 H TYR A 164 -5.223 -1.229 -4.360 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.661 -0.487 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -5.078 -2.351 -2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.823 -1.340 -2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -6.029 -0.922 0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.054 -1.188 -1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.109 -0.475 2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.148 -0.740 1.036 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.637 -0.193 3.070 1.00 0.00 H new ATOM 288 N VAL A 165 -4.264 1.520 -3.014 1.00 0.00 N ATOM 289 CA VAL A 165 -3.703 2.848 -2.838 1.00 0.00 C ATOM 290 C VAL A 165 -4.776 3.896 -3.140 1.00 0.00 C ATOM 291 O VAL A 165 -4.925 4.869 -2.403 1.00 0.00 O ATOM 292 CB VAL A 165 -2.452 3.008 -3.705 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.222 4.476 -4.071 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.224 2.417 -3.011 1.00 0.00 C ATOM 0 H VAL A 165 -3.865 0.987 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.388 2.994 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.613 2.454 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.327 4.561 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.082 4.852 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.093 5.062 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.349 2.544 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.060 2.930 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.387 1.355 -2.826 1.00 0.00 H new ATOM 304 N ASP A 166 -5.499 3.660 -4.226 1.00 0.00 N ATOM 305 CA ASP A 166 -6.555 4.571 -4.634 1.00 0.00 C ATOM 306 C ASP A 166 -7.569 4.711 -3.498 1.00 0.00 C ATOM 307 O ASP A 166 -8.039 5.811 -3.212 1.00 0.00 O ATOM 308 CB ASP A 166 -7.294 4.041 -5.864 1.00 0.00 C ATOM 309 CG ASP A 166 -8.061 5.096 -6.663 1.00 0.00 C ATOM 310 OD1 ASP A 166 -7.477 5.834 -7.471 1.00 0.00 O ATOM 311 OD2 ASP A 166 -9.328 5.147 -6.425 1.00 0.00 O ATOM 0 H ASP A 166 -5.374 2.851 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.098 5.531 -4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.572 3.561 -6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -7.994 3.270 -5.544 1.00 0.00 H new ATOM 317 N ARG A 167 -7.878 3.580 -2.879 1.00 0.00 N ATOM 318 CA ARG A 167 -8.828 3.563 -1.780 1.00 0.00 C ATOM 319 C ARG A 167 -8.280 4.359 -0.594 1.00 0.00 C ATOM 320 O ARG A 167 -9.012 5.123 0.036 1.00 0.00 O ATOM 321 CB ARG A 167 -9.124 2.131 -1.330 1.00 0.00 C ATOM 322 CG ARG A 167 -10.509 2.034 -0.687 1.00 0.00 C ATOM 323 CD ARG A 167 -11.597 1.870 -1.750 1.00 0.00 C ATOM 324 NE ARG A 167 -12.042 0.458 -1.805 1.00 0.00 N ATOM 325 CZ ARG A 167 -13.150 0.039 -2.451 1.00 0.00 C ATOM 326 NH1 ARG A 167 -13.938 0.920 -3.104 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.454 -1.246 -2.433 1.00 0.00 N ATOM 0 H ARG A 167 -7.487 2.669 -3.118 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.753 4.019 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -9.068 1.458 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.365 1.805 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.536 1.188 -0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -10.704 2.930 -0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -12.443 2.518 -1.520 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.215 2.178 -2.723 1.00 0.00 H new ATOM 0 HE ARG A 167 -11.475 -0.241 -1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -13.697 1.911 -3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -14.774 0.594 -3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -12.855 -1.905 -1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -14.288 -1.580 -2.916 1.00 0.00 H new ATOM 341 N PHE A 168 -7.000 4.154 -0.323 1.00 0.00 N ATOM 342 CA PHE A 168 -6.348 4.843 0.777 1.00 0.00 C ATOM 343 C PHE A 168 -6.440 6.360 0.605 1.00 0.00 C ATOM 344 O PHE A 168 -6.790 7.075 1.543 1.00 0.00 O ATOM 345 CB PHE A 168 -4.875 4.428 0.754 1.00 0.00 C ATOM 346 CG PHE A 168 -4.061 4.958 1.934 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.507 6.199 1.877 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.889 4.189 3.043 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.751 6.692 2.973 1.00 0.00 C ATOM 350 CE2 PHE A 168 -3.132 4.681 4.139 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.580 5.922 4.081 1.00 0.00 C ATOM 0 H PHE A 168 -6.396 3.520 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.830 4.581 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.815 3.340 0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.423 4.781 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.642 6.810 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.329 3.204 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.312 7.678 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.995 4.069 5.019 1.00 0.00 H new ATOM 0 HZ PHE A 168 -2.005 6.297 4.915 1.00 0.00 H new ATOM 361 N TYR A 169 -6.121 6.808 -0.601 1.00 0.00 N ATOM 362 CA TYR A 169 -6.163 8.228 -0.907 1.00 0.00 C ATOM 363 C TYR A 169 -7.605 8.704 -1.097 1.00 0.00 C ATOM 364 O TYR A 169 -7.890 9.893 -0.971 1.00 0.00 O ATOM 365 CB TYR A 169 -5.405 8.397 -2.224 1.00 0.00 C ATOM 366 CG TYR A 169 -3.883 8.376 -2.074 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.272 7.343 -1.392 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.120 9.388 -2.618 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.838 7.322 -1.250 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.689 9.369 -2.477 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.117 8.336 -1.800 1.00 0.00 C ATOM 372 OH TYR A 169 0.235 8.317 -1.666 1.00 0.00 O ATOM 0 H TYR A 169 -5.832 6.213 -1.377 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.726 8.810 -0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.703 7.602 -2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.701 9.340 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.869 6.551 -0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.598 10.196 -3.151 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.347 6.520 -0.719 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.082 10.156 -2.899 1.00 0.00 H new ATOM 0 HH TYR A 169 0.619 9.102 -2.109 1.00 0.00 H new ATOM 382 N LYS A 170 -8.476 7.751 -1.398 1.00 0.00 N ATOM 383 CA LYS A 170 -9.879 8.059 -1.607 1.00 0.00 C ATOM 384 C LYS A 170 -10.529 8.395 -0.263 1.00 0.00 C ATOM 385 O LYS A 170 -11.289 9.357 -0.160 1.00 0.00 O ATOM 386 CB LYS A 170 -10.573 6.918 -2.356 1.00 0.00 C ATOM 387 CG LYS A 170 -10.733 7.256 -3.839 1.00 0.00 C ATOM 388 CD LYS A 170 -11.192 6.030 -4.633 1.00 0.00 C ATOM 389 CE LYS A 170 -12.634 5.658 -4.281 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.713 4.244 -3.855 1.00 0.00 N ATOM 0 H LYS A 170 -8.236 6.765 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.985 8.938 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -9.993 6.001 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.552 6.730 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.457 8.062 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.785 7.618 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -11.116 6.234 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -10.533 5.188 -4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.999 6.305 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -13.279 5.821 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.674 3.883 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -12.030 3.679 -4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.491 4.174 -2.841 1.00 0.00 H new ATOM 404 N THR A 171 -10.205 7.584 0.733 1.00 0.00 N ATOM 405 CA THR A 171 -10.748 7.783 2.066 1.00 0.00 C ATOM 406 C THR A 171 -10.080 8.984 2.741 1.00 0.00 C ATOM 407 O THR A 171 -10.732 9.744 3.453 1.00 0.00 O ATOM 408 CB THR A 171 -10.580 6.478 2.846 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.039 5.474 1.944 1.00 0.00 O ATOM 410 CG2 THR A 171 -11.539 6.377 4.034 1.00 0.00 C ATOM 0 H THR A 171 -9.574 6.788 0.644 1.00 0.00 H new ATOM 0 HA THR A 171 -11.811 8.021 2.027 1.00 0.00 H new ATOM 0 HB THR A 171 -9.553 6.398 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.305 5.204 1.354 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.378 5.432 4.553 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.356 7.204 4.721 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.568 6.423 3.676 1.00 0.00 H new ATOM 418 N LEU A 172 -8.785 9.116 2.491 1.00 0.00 N ATOM 419 CA LEU A 172 -8.020 10.210 3.065 1.00 0.00 C ATOM 420 C LEU A 172 -8.566 11.538 2.538 1.00 0.00 C ATOM 421 O LEU A 172 -8.733 12.491 3.299 1.00 0.00 O ATOM 422 CB LEU A 172 -6.525 10.012 2.805 1.00 0.00 C ATOM 423 CG LEU A 172 -5.901 10.932 1.751 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.936 12.392 2.207 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.484 10.476 1.398 1.00 0.00 C ATOM 0 H LEU A 172 -8.247 8.484 1.899 1.00 0.00 H new ATOM 0 HA LEU A 172 -8.131 10.227 4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.991 10.153 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.363 8.979 2.499 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.498 10.865 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.487 13.023 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.970 12.698 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -5.376 12.496 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.063 11.145 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.862 10.496 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.517 9.461 1.002 1.00 0.00 H new ATOM 437 N ARG A 173 -8.829 11.561 1.240 1.00 0.00 N ATOM 438 CA ARG A 173 -9.353 12.757 0.602 1.00 0.00 C ATOM 439 C ARG A 173 -10.837 12.928 0.933 1.00 0.00 C ATOM 440 O ARG A 173 -11.460 13.904 0.518 1.00 0.00 O ATOM 441 CB ARG A 173 -9.180 12.693 -0.917 1.00 0.00 C ATOM 442 CG ARG A 173 -7.826 13.265 -1.339 1.00 0.00 C ATOM 443 CD ARG A 173 -7.878 13.794 -2.774 1.00 0.00 C ATOM 444 NE ARG A 173 -6.651 14.566 -3.074 1.00 0.00 N ATOM 445 CZ ARG A 173 -5.433 14.012 -3.256 1.00 0.00 C ATOM 446 NH1 ARG A 173 -5.270 12.675 -3.171 1.00 0.00 N ATOM 447 NH2 ARG A 173 -4.406 14.797 -3.520 1.00 0.00 N ATOM 0 H ARG A 173 -8.689 10.770 0.612 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.791 13.609 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.263 11.659 -1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -9.981 13.251 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -7.540 14.069 -0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.060 12.493 -1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -7.975 12.963 -3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -8.756 14.426 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 173 -6.731 15.580 -3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -6.070 12.076 -2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -4.347 12.264 -3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -4.539 15.806 -3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -3.479 14.395 -3.660 1.00 0.00 H new ATOM 461 N ALA A 174 -11.360 11.965 1.677 1.00 0.00 N ATOM 462 CA ALA A 174 -12.759 11.997 2.068 1.00 0.00 C ATOM 463 C ALA A 174 -12.911 12.850 3.330 1.00 0.00 C ATOM 464 O ALA A 174 -14.014 13.283 3.660 1.00 0.00 O ATOM 465 CB ALA A 174 -13.267 10.567 2.266 1.00 0.00 C ATOM 0 H ALA A 174 -10.840 11.157 2.020 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.366 12.453 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.317 10.591 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.163 10.012 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.683 10.078 3.046 1.00 0.00 H new ATOM 630 N THR A 186 1.088 8.921 5.140 1.00 0.00 N ATOM 631 CA THR A 186 0.271 8.165 4.207 1.00 0.00 C ATOM 632 C THR A 186 0.960 6.850 3.840 1.00 0.00 C ATOM 633 O THR A 186 0.315 5.803 3.782 1.00 0.00 O ATOM 634 CB THR A 186 -0.018 9.058 2.999 1.00 0.00 C ATOM 635 OG1 THR A 186 -1.274 9.659 3.304 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.287 8.253 1.728 1.00 0.00 C ATOM 0 HA THR A 186 -0.682 7.882 4.655 1.00 0.00 H new ATOM 0 HB THR A 186 0.826 9.727 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 186 -1.537 10.256 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.486 8.935 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.585 7.642 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 186 -1.152 7.607 1.882 1.00 0.00 H new ATOM 644 N GLU A 187 2.259 6.946 3.601 1.00 0.00 N ATOM 645 CA GLU A 187 3.042 5.776 3.241 1.00 0.00 C ATOM 646 C GLU A 187 3.157 4.825 4.434 1.00 0.00 C ATOM 647 O GLU A 187 3.144 3.606 4.264 1.00 0.00 O ATOM 648 CB GLU A 187 4.425 6.180 2.726 1.00 0.00 C ATOM 649 CG GLU A 187 5.366 4.974 2.679 1.00 0.00 C ATOM 650 CD GLU A 187 5.951 4.680 4.061 1.00 0.00 C ATOM 651 OE1 GLU A 187 5.766 5.476 4.995 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.617 3.579 4.149 1.00 0.00 O ATOM 0 H GLU A 187 2.789 7.816 3.649 1.00 0.00 H new ATOM 0 HA GLU A 187 2.528 5.253 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.334 6.614 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.847 6.950 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 187 4.825 4.100 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.173 5.166 1.972 1.00 0.00 H new ATOM 660 N THR A 188 3.267 5.419 5.613 1.00 0.00 N ATOM 661 CA THR A 188 3.384 4.640 6.834 1.00 0.00 C ATOM 662 C THR A 188 2.066 3.928 7.141 1.00 0.00 C ATOM 663 O THR A 188 2.062 2.765 7.545 1.00 0.00 O ATOM 664 CB THR A 188 3.842 5.579 7.953 1.00 0.00 C ATOM 665 OG1 THR A 188 5.171 5.152 8.242 1.00 0.00 O ATOM 666 CG2 THR A 188 3.083 5.346 9.260 1.00 0.00 C ATOM 0 H THR A 188 3.278 6.430 5.749 1.00 0.00 H new ATOM 0 HA THR A 188 4.127 3.850 6.728 1.00 0.00 H new ATOM 0 HB THR A 188 3.709 6.613 7.636 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.545 5.709 8.956 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.446 6.038 10.020 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.018 5.513 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.243 4.321 9.596 1.00 0.00 H new ATOM 674 N LEU A 189 0.977 4.653 6.938 1.00 0.00 N ATOM 675 CA LEU A 189 -0.346 4.105 7.187 1.00 0.00 C ATOM 676 C LEU A 189 -0.654 3.030 6.143 1.00 0.00 C ATOM 677 O LEU A 189 -1.122 1.946 6.483 1.00 0.00 O ATOM 678 CB LEU A 189 -1.388 5.224 7.243 1.00 0.00 C ATOM 679 CG LEU A 189 -1.881 5.612 8.639 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.711 6.897 8.590 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.647 4.459 9.290 1.00 0.00 C ATOM 0 H LEU A 189 0.983 5.617 6.603 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.379 3.621 8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.966 6.110 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.249 4.922 6.646 1.00 0.00 H new ATOM 0 HG LEU A 189 -1.011 5.814 9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.049 7.150 9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.100 7.710 8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.576 6.747 7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.986 4.761 10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.509 4.201 8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.993 3.592 9.379 1.00 0.00 H new ATOM 693 N LEU A 190 -0.376 3.371 4.893 1.00 0.00 N ATOM 694 CA LEU A 190 -0.617 2.447 3.796 1.00 0.00 C ATOM 695 C LEU A 190 0.150 1.148 4.050 1.00 0.00 C ATOM 696 O LEU A 190 -0.386 0.058 3.858 1.00 0.00 O ATOM 697 CB LEU A 190 -0.283 3.108 2.456 1.00 0.00 C ATOM 698 CG LEU A 190 -0.459 2.232 1.215 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.786 2.532 0.515 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.734 2.377 0.268 1.00 0.00 C ATOM 0 H LEU A 190 0.013 4.272 4.615 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.674 2.187 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.909 3.993 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.751 3.452 2.490 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.492 1.190 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.886 1.895 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.611 2.337 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.808 3.578 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.584 1.744 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.824 3.416 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.646 2.074 0.783 1.00 0.00 H new ATOM 712 N VAL A 191 1.394 1.307 4.476 1.00 0.00 N ATOM 713 CA VAL A 191 2.242 0.162 4.758 1.00 0.00 C ATOM 714 C VAL A 191 1.685 -0.594 5.966 1.00 0.00 C ATOM 715 O VAL A 191 1.561 -1.818 5.933 1.00 0.00 O ATOM 716 CB VAL A 191 3.690 0.616 4.953 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.578 -0.554 5.381 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.231 1.282 3.687 1.00 0.00 C ATOM 0 H VAL A 191 1.836 2.213 4.633 1.00 0.00 H new ATOM 0 HA VAL A 191 2.244 -0.528 3.914 1.00 0.00 H new ATOM 0 HB VAL A 191 3.704 1.357 5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.602 -0.204 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.211 -0.964 6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.555 -1.328 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.262 1.595 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.196 0.573 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.622 2.153 3.445 1.00 0.00 H new ATOM 728 N GLN A 192 1.363 0.166 7.002 1.00 0.00 N ATOM 729 CA GLN A 192 0.821 -0.418 8.218 1.00 0.00 C ATOM 730 C GLN A 192 -0.529 -1.079 7.934 1.00 0.00 C ATOM 731 O GLN A 192 -0.834 -2.138 8.483 1.00 0.00 O ATOM 732 CB GLN A 192 0.694 0.636 9.321 1.00 0.00 C ATOM 733 CG GLN A 192 1.860 0.539 10.308 1.00 0.00 C ATOM 734 CD GLN A 192 1.510 1.211 11.638 1.00 0.00 C ATOM 735 OE1 GLN A 192 0.372 1.561 11.905 1.00 0.00 O ATOM 736 NE2 GLN A 192 2.549 1.371 12.451 1.00 0.00 N ATOM 0 H GLN A 192 1.467 1.180 7.025 1.00 0.00 H new ATOM 0 HA GLN A 192 1.511 -1.185 8.569 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.670 1.631 8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -0.249 0.501 9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.109 -0.508 10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 192 2.744 1.011 9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 192 3.475 1.054 12.164 1.00 0.00 H new ATOM 0 HE22 GLN A 192 2.420 1.810 13.362 1.00 0.00 H new ATOM 745 N ASN A 193 -1.302 -0.428 7.077 1.00 0.00 N ATOM 746 CA ASN A 193 -2.614 -0.940 6.714 1.00 0.00 C ATOM 747 C ASN A 193 -2.476 -1.873 5.510 1.00 0.00 C ATOM 748 O ASN A 193 -3.467 -2.218 4.870 1.00 0.00 O ATOM 749 CB ASN A 193 -3.560 0.197 6.325 1.00 0.00 C ATOM 750 CG ASN A 193 -5.019 -0.208 6.542 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.350 -1.369 6.719 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.873 0.813 6.518 1.00 0.00 N ATOM 0 H ASN A 193 -1.046 0.449 6.623 1.00 0.00 H new ATOM 0 HA ASN A 193 -3.021 -1.468 7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.333 1.083 6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.404 0.464 5.280 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.870 0.647 6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -5.530 1.761 6.365 1.00 0.00 H new ATOM 759 N ALA A 194 -1.236 -2.257 5.237 1.00 0.00 N ATOM 760 CA ALA A 194 -0.955 -3.144 4.121 1.00 0.00 C ATOM 761 C ALA A 194 -0.619 -4.537 4.656 1.00 0.00 C ATOM 762 O ALA A 194 -0.252 -4.688 5.821 1.00 0.00 O ATOM 763 CB ALA A 194 0.173 -2.555 3.273 1.00 0.00 C ATOM 0 H ALA A 194 -0.415 -1.969 5.770 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.829 -3.241 3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.384 -3.220 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.129 -1.579 2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.069 -2.446 3.884 1.00 0.00 H new ATOM 769 N ASN A 195 -0.754 -5.522 3.778 1.00 0.00 N ATOM 770 CA ASN A 195 -0.468 -6.898 4.148 1.00 0.00 C ATOM 771 C ASN A 195 0.848 -6.949 4.928 1.00 0.00 C ATOM 772 O ASN A 195 1.584 -5.964 4.976 1.00 0.00 O ATOM 773 CB ASN A 195 -0.315 -7.780 2.907 1.00 0.00 C ATOM 774 CG ASN A 195 -1.346 -8.911 2.910 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.263 -8.949 3.714 1.00 0.00 O ATOM 776 ND2 ASN A 195 -1.145 -9.829 1.968 1.00 0.00 N ATOM 0 H ASN A 195 -1.057 -5.394 2.813 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.298 -7.265 4.753 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.436 -7.175 2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.691 -8.199 2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -1.778 -10.624 1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.357 -9.737 1.326 1.00 0.00 H new ATOM 783 N PRO A 196 1.110 -8.137 5.535 1.00 0.00 N ATOM 784 CA PRO A 196 2.323 -8.330 6.310 1.00 0.00 C ATOM 785 C PRO A 196 3.539 -8.490 5.396 1.00 0.00 C ATOM 786 O PRO A 196 4.520 -7.760 5.528 1.00 0.00 O ATOM 787 CB PRO A 196 2.054 -9.559 7.163 1.00 0.00 C ATOM 788 CG PRO A 196 0.892 -10.280 6.500 1.00 0.00 C ATOM 789 CD PRO A 196 0.261 -9.324 5.499 1.00 0.00 C ATOM 0 HA PRO A 196 2.562 -7.471 6.937 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.934 -10.200 7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.806 -9.278 8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.239 -11.183 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.160 -10.590 7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.231 -9.759 4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.766 -9.085 5.773 1.00 0.00 H new ATOM 797 N ASP A 197 3.434 -9.450 4.487 1.00 0.00 N ATOM 798 CA ASP A 197 4.513 -9.714 3.552 1.00 0.00 C ATOM 799 C ASP A 197 4.915 -8.410 2.861 1.00 0.00 C ATOM 800 O ASP A 197 6.102 -8.108 2.740 1.00 0.00 O ATOM 801 CB ASP A 197 4.073 -10.704 2.471 1.00 0.00 C ATOM 802 CG ASP A 197 4.405 -12.169 2.762 1.00 0.00 C ATOM 803 OD1 ASP A 197 3.541 -13.053 2.661 1.00 0.00 O ATOM 804 OD2 ASP A 197 5.626 -12.393 3.113 1.00 0.00 O ATOM 0 H ASP A 197 2.619 -10.053 4.379 1.00 0.00 H new ATOM 0 HA ASP A 197 5.348 -10.136 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.996 -10.612 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.541 -10.421 1.528 1.00 0.00 H new ATOM 810 N CYS A 198 3.905 -7.671 2.427 1.00 0.00 N ATOM 811 CA CYS A 198 4.140 -6.405 1.752 1.00 0.00 C ATOM 812 C CYS A 198 5.009 -5.532 2.658 1.00 0.00 C ATOM 813 O CYS A 198 5.868 -4.795 2.176 1.00 0.00 O ATOM 814 CB CYS A 198 2.827 -5.712 1.378 1.00 0.00 C ATOM 815 SG CYS A 198 3.163 -4.291 0.275 1.00 0.00 S ATOM 0 H CYS A 198 2.922 -7.924 2.529 1.00 0.00 H new ATOM 0 HA CYS A 198 4.662 -6.582 0.812 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.161 -6.419 0.882 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.316 -5.371 2.279 1.00 0.00 H new ATOM 0 HG CYS A 198 2.515 -4.446 -0.841 1.00 0.00 H new ATOM 821 N LYS A 199 4.755 -5.643 3.953 1.00 0.00 N ATOM 822 CA LYS A 199 5.504 -4.871 4.931 1.00 0.00 C ATOM 823 C LYS A 199 6.994 -5.192 4.794 1.00 0.00 C ATOM 824 O LYS A 199 7.830 -4.289 4.798 1.00 0.00 O ATOM 825 CB LYS A 199 4.951 -5.108 6.338 1.00 0.00 C ATOM 826 CG LYS A 199 5.412 -4.011 7.299 1.00 0.00 C ATOM 827 CD LYS A 199 4.270 -3.572 8.219 1.00 0.00 C ATOM 828 CE LYS A 199 4.799 -3.178 9.599 1.00 0.00 C ATOM 829 NZ LYS A 199 4.048 -2.018 10.130 1.00 0.00 N ATOM 0 H LYS A 199 4.042 -6.255 4.348 1.00 0.00 H new ATOM 0 HA LYS A 199 5.388 -3.803 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.862 -5.134 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.282 -6.080 6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.247 -4.375 7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.776 -3.155 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.743 -2.729 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 199 3.548 -4.382 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 199 4.709 -4.021 10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 199 5.859 -2.933 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 4.599 -1.564 10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 3.880 -1.333 9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 3.136 -2.340 10.512 1.00 0.00 H new ATOM 843 N THR A 200 7.281 -6.481 4.677 1.00 0.00 N ATOM 844 CA THR A 200 8.655 -6.931 4.539 1.00 0.00 C ATOM 845 C THR A 200 9.262 -6.402 3.237 1.00 0.00 C ATOM 846 O THR A 200 10.416 -5.977 3.213 1.00 0.00 O ATOM 847 CB THR A 200 8.665 -8.458 4.637 1.00 0.00 C ATOM 848 OG1 THR A 200 8.108 -8.725 5.921 1.00 0.00 O ATOM 849 CG2 THR A 200 10.080 -9.031 4.718 1.00 0.00 C ATOM 0 H THR A 200 6.585 -7.227 4.675 1.00 0.00 H new ATOM 0 HA THR A 200 9.282 -6.535 5.338 1.00 0.00 H new ATOM 0 HB THR A 200 8.152 -8.881 3.773 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.075 -9.693 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 200 10.029 -10.118 4.786 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.638 -8.749 3.825 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.583 -8.635 5.601 1.00 0.00 H new ATOM 857 N ILE A 201 8.457 -6.446 2.186 1.00 0.00 N ATOM 858 CA ILE A 201 8.900 -5.979 0.883 1.00 0.00 C ATOM 859 C ILE A 201 9.195 -4.479 0.960 1.00 0.00 C ATOM 860 O ILE A 201 10.203 -4.013 0.431 1.00 0.00 O ATOM 861 CB ILE A 201 7.880 -6.350 -0.195 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.275 -7.729 0.076 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.502 -6.261 -1.590 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.004 -8.475 -1.233 1.00 0.00 C ATOM 0 H ILE A 201 7.500 -6.798 2.210 1.00 0.00 H new ATOM 0 HA ILE A 201 9.827 -6.474 0.595 1.00 0.00 H new ATOM 0 HB ILE A 201 7.065 -5.628 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.954 -8.312 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.346 -7.619 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.757 -6.530 -2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.847 -5.243 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.346 -6.947 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.574 -9.452 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.306 -7.900 -1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 201 7.939 -8.604 -1.778 1.00 0.00 H new ATOM 876 N LEU A 202 8.298 -3.765 1.623 1.00 0.00 N ATOM 877 CA LEU A 202 8.449 -2.327 1.775 1.00 0.00 C ATOM 878 C LEU A 202 9.613 -2.039 2.727 1.00 0.00 C ATOM 879 O LEU A 202 10.238 -0.983 2.648 1.00 0.00 O ATOM 880 CB LEU A 202 7.128 -1.691 2.210 1.00 0.00 C ATOM 881 CG LEU A 202 6.254 -1.127 1.088 1.00 0.00 C ATOM 882 CD1 LEU A 202 6.472 -1.895 -0.217 1.00 0.00 C ATOM 883 CD2 LEU A 202 4.780 -1.101 1.501 1.00 0.00 C ATOM 0 H LEU A 202 7.464 -4.155 2.061 1.00 0.00 H new ATOM 0 HA LEU A 202 8.697 -1.867 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.550 -2.438 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.349 -0.886 2.911 1.00 0.00 H new ATOM 0 HG LEU A 202 6.555 -0.095 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 202 5.839 -1.473 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 202 7.517 -1.816 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 202 6.216 -2.944 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 202 4.181 -0.696 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 202 4.448 -2.114 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 202 4.661 -0.474 2.385 1.00 0.00 H new ATOM 895 N LYS A 203 9.868 -2.998 3.605 1.00 0.00 N ATOM 896 CA LYS A 203 10.944 -2.861 4.571 1.00 0.00 C ATOM 897 C LYS A 203 12.288 -2.917 3.843 1.00 0.00 C ATOM 898 O LYS A 203 13.196 -2.145 4.147 1.00 0.00 O ATOM 899 CB LYS A 203 10.805 -3.904 5.682 1.00 0.00 C ATOM 900 CG LYS A 203 10.577 -3.232 7.038 1.00 0.00 C ATOM 901 CD LYS A 203 10.390 -4.276 8.142 1.00 0.00 C ATOM 902 CE LYS A 203 10.874 -3.741 9.490 1.00 0.00 C ATOM 903 NZ LYS A 203 12.340 -3.540 9.472 1.00 0.00 N ATOM 0 H LYS A 203 9.348 -3.873 3.667 1.00 0.00 H new ATOM 0 HA LYS A 203 10.888 -1.892 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 203 9.973 -4.571 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.704 -4.519 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 203 11.426 -2.592 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.698 -2.590 6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.338 -4.551 8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.940 -5.182 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 203 10.375 -2.798 9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 203 10.607 -4.440 10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 12.719 -3.661 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 12.778 -4.237 8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 12.555 -2.580 9.134 1.00 0.00 H new ATOM 917 N ALA A 204 12.374 -3.838 2.894 1.00 0.00 N ATOM 918 CA ALA A 204 13.591 -4.005 2.119 1.00 0.00 C ATOM 919 C ALA A 204 13.623 -2.964 0.998 1.00 0.00 C ATOM 920 O ALA A 204 14.686 -2.662 0.456 1.00 0.00 O ATOM 921 CB ALA A 204 13.665 -5.437 1.587 1.00 0.00 C ATOM 0 H ALA A 204 11.619 -4.477 2.644 1.00 0.00 H new ATOM 0 HA ALA A 204 14.469 -3.844 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.578 -5.562 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.669 -6.136 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.801 -5.635 0.953 1.00 0.00 H new ATOM 927 N LEU A 205 12.447 -2.445 0.682 1.00 0.00 N ATOM 928 CA LEU A 205 12.326 -1.444 -0.365 1.00 0.00 C ATOM 929 C LEU A 205 13.186 -0.231 -0.006 1.00 0.00 C ATOM 930 O LEU A 205 14.264 -0.039 -0.568 1.00 0.00 O ATOM 931 CB LEU A 205 10.855 -1.104 -0.614 1.00 0.00 C ATOM 932 CG LEU A 205 10.511 -0.610 -2.021 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.385 -1.781 -2.996 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.252 0.260 -2.004 1.00 0.00 C ATOM 0 H LEU A 205 11.568 -2.699 1.133 1.00 0.00 H new ATOM 0 HA LEU A 205 12.703 -1.834 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.257 -1.991 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.553 -0.340 0.102 1.00 0.00 H new ATOM 0 HG LEU A 205 11.330 0.017 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.140 -1.403 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.329 -2.324 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.595 -2.452 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.030 0.598 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.413 -0.322 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 205 9.416 1.124 -1.361 1.00 0.00 H new ATOM 946 N GLY A 206 12.679 0.558 0.932 1.00 0.00 N ATOM 947 CA GLY A 206 13.387 1.747 1.372 1.00 0.00 C ATOM 948 C GLY A 206 12.525 2.577 2.324 1.00 0.00 C ATOM 949 O GLY A 206 11.307 2.639 2.170 1.00 0.00 O ATOM 0 H GLY A 206 11.786 0.396 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.313 1.460 1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.665 2.350 0.508 1.00 0.00 H new ATOM 953 N PRO A 207 13.209 3.211 3.315 1.00 0.00 N ATOM 954 CA PRO A 207 12.518 4.034 4.293 1.00 0.00 C ATOM 955 C PRO A 207 12.094 5.371 3.683 1.00 0.00 C ATOM 956 O PRO A 207 12.469 6.432 4.182 1.00 0.00 O ATOM 957 CB PRO A 207 13.504 4.190 5.441 1.00 0.00 C ATOM 958 CG PRO A 207 14.868 3.843 4.869 1.00 0.00 C ATOM 959 CD PRO A 207 14.652 3.160 3.529 1.00 0.00 C ATOM 0 HA PRO A 207 11.589 3.584 4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 207 13.491 5.208 5.831 1.00 0.00 H new ATOM 0 HB3 PRO A 207 13.248 3.528 6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 207 15.470 4.743 4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 207 15.411 3.187 5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 207 15.189 3.674 2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 207 15.014 2.132 3.546 1.00 0.00 H new ATOM 967 N GLY A 208 11.320 5.278 2.613 1.00 0.00 N ATOM 968 CA GLY A 208 10.841 6.468 1.930 1.00 0.00 C ATOM 969 C GLY A 208 10.846 6.268 0.412 1.00 0.00 C ATOM 970 O GLY A 208 11.281 7.144 -0.332 1.00 0.00 O ATOM 0 H GLY A 208 11.012 4.397 2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.831 6.703 2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.470 7.319 2.190 1.00 0.00 H new ATOM 974 N ALA A 209 10.354 5.109 0.000 1.00 0.00 N ATOM 975 CA ALA A 209 10.296 4.782 -1.416 1.00 0.00 C ATOM 976 C ALA A 209 9.083 5.470 -2.043 1.00 0.00 C ATOM 977 O ALA A 209 8.163 5.883 -1.338 1.00 0.00 O ATOM 978 CB ALA A 209 10.259 3.262 -1.588 1.00 0.00 C ATOM 0 H ALA A 209 9.992 4.385 0.621 1.00 0.00 H new ATOM 0 HA ALA A 209 11.185 5.146 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.216 3.017 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.157 2.824 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.378 2.860 -1.087 1.00 0.00 H new ATOM 984 N THR A 210 9.117 5.570 -3.365 1.00 0.00 N ATOM 985 CA THR A 210 8.031 6.202 -4.096 1.00 0.00 C ATOM 986 C THR A 210 6.856 5.233 -4.245 1.00 0.00 C ATOM 987 O THR A 210 6.900 4.114 -3.735 1.00 0.00 O ATOM 988 CB THR A 210 8.586 6.695 -5.433 1.00 0.00 C ATOM 989 OG1 THR A 210 7.627 7.652 -5.874 1.00 0.00 O ATOM 990 CG2 THR A 210 8.556 5.612 -6.514 1.00 0.00 C ATOM 0 H THR A 210 9.879 5.224 -3.948 1.00 0.00 H new ATOM 0 HA THR A 210 7.636 7.062 -3.555 1.00 0.00 H new ATOM 0 HB THR A 210 9.610 7.043 -5.296 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.909 8.025 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 210 8.961 6.014 -7.443 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.158 4.762 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.528 5.288 -6.676 1.00 0.00 H new ATOM 998 N LEU A 211 5.832 5.699 -4.945 1.00 0.00 N ATOM 999 CA LEU A 211 4.647 4.889 -5.168 1.00 0.00 C ATOM 1000 C LEU A 211 5.000 3.720 -6.091 1.00 0.00 C ATOM 1001 O LEU A 211 4.720 2.565 -5.771 1.00 0.00 O ATOM 1002 CB LEU A 211 3.496 5.753 -5.684 1.00 0.00 C ATOM 1003 CG LEU A 211 2.085 5.240 -5.388 1.00 0.00 C ATOM 1004 CD1 LEU A 211 1.757 4.014 -6.243 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.907 4.960 -3.894 1.00 0.00 C ATOM 0 H LEU A 211 5.799 6.628 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 211 4.297 4.461 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.596 6.750 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.603 5.859 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 211 1.374 6.021 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 211 0.749 3.669 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 211 1.818 4.280 -7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.470 3.219 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.896 4.597 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 211 2.627 4.206 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 211 2.071 5.878 -3.330 1.00 0.00 H new ATOM 1017 N GLU A 212 5.610 4.060 -7.216 1.00 0.00 N ATOM 1018 CA GLU A 212 6.005 3.053 -8.189 1.00 0.00 C ATOM 1019 C GLU A 212 6.825 1.955 -7.510 1.00 0.00 C ATOM 1020 O GLU A 212 6.731 0.786 -7.880 1.00 0.00 O ATOM 1021 CB GLU A 212 6.780 3.682 -9.347 1.00 0.00 C ATOM 1022 CG GLU A 212 6.718 2.798 -10.593 1.00 0.00 C ATOM 1023 CD GLU A 212 5.393 2.988 -11.334 1.00 0.00 C ATOM 1024 OE1 GLU A 212 4.350 2.499 -10.875 1.00 0.00 O ATOM 1025 OE2 GLU A 212 5.471 3.673 -12.425 1.00 0.00 O ATOM 0 H GLU A 212 5.841 5.019 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 212 5.103 2.602 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.368 4.665 -9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.819 3.832 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 212 7.548 3.040 -11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 212 6.833 1.752 -10.308 1.00 0.00 H new ATOM 1033 N GLU A 213 7.614 2.369 -6.530 1.00 0.00 N ATOM 1034 CA GLU A 213 8.452 1.436 -5.796 1.00 0.00 C ATOM 1035 C GLU A 213 7.591 0.535 -4.909 1.00 0.00 C ATOM 1036 O GLU A 213 7.792 -0.679 -4.870 1.00 0.00 O ATOM 1037 CB GLU A 213 9.504 2.176 -4.970 1.00 0.00 C ATOM 1038 CG GLU A 213 10.700 1.270 -4.666 1.00 0.00 C ATOM 1039 CD GLU A 213 11.741 1.342 -5.786 1.00 0.00 C ATOM 1040 OE1 GLU A 213 11.376 1.443 -6.965 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.968 1.291 -5.393 1.00 0.00 O ATOM 0 H GLU A 213 7.691 3.340 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 213 8.979 0.808 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.841 3.060 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.060 2.524 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.156 1.568 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.360 0.241 -4.546 1.00 0.00 H new ATOM 1049 N MET A 214 6.652 1.162 -4.217 1.00 0.00 N ATOM 1050 CA MET A 214 5.760 0.433 -3.332 1.00 0.00 C ATOM 1051 C MET A 214 4.914 -0.575 -4.115 1.00 0.00 C ATOM 1052 O MET A 214 4.718 -1.703 -3.670 1.00 0.00 O ATOM 1053 CB MET A 214 4.840 1.418 -2.608 1.00 0.00 C ATOM 1054 CG MET A 214 5.588 2.143 -1.488 1.00 0.00 C ATOM 1055 SD MET A 214 4.501 2.400 -0.096 1.00 0.00 S ATOM 1056 CE MET A 214 3.561 3.795 -0.691 1.00 0.00 C ATOM 0 H MET A 214 6.489 2.168 -4.251 1.00 0.00 H new ATOM 0 HA MET A 214 6.364 -0.113 -2.607 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.448 2.145 -3.319 1.00 0.00 H new ATOM 0 HB3 MET A 214 3.984 0.885 -2.193 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.455 1.558 -1.180 1.00 0.00 H new ATOM 0 HG3 MET A 214 5.962 3.101 -1.850 1.00 0.00 H new ATOM 0 HE1 MET A 214 3.082 4.296 0.150 1.00 0.00 H new ATOM 0 HE2 MET A 214 4.227 4.493 -1.198 1.00 0.00 H new ATOM 0 HE3 MET A 214 2.799 3.449 -1.389 1.00 0.00 H new ATOM 1066 N MET A 215 4.436 -0.128 -5.267 1.00 0.00 N ATOM 1067 CA MET A 215 3.616 -0.976 -6.116 1.00 0.00 C ATOM 1068 C MET A 215 4.452 -2.092 -6.747 1.00 0.00 C ATOM 1069 O MET A 215 3.960 -3.199 -6.952 1.00 0.00 O ATOM 1070 CB MET A 215 2.976 -0.129 -7.219 1.00 0.00 C ATOM 1071 CG MET A 215 2.334 -1.016 -8.287 1.00 0.00 C ATOM 1072 SD MET A 215 0.626 -0.550 -8.520 1.00 0.00 S ATOM 1073 CE MET A 215 -0.025 -2.076 -9.177 1.00 0.00 C ATOM 0 H MET A 215 4.601 0.810 -5.632 1.00 0.00 H new ATOM 0 HA MET A 215 2.840 -1.433 -5.501 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.222 0.529 -6.786 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.731 0.509 -7.677 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.878 -0.919 -9.227 1.00 0.00 H new ATOM 0 HG3 MET A 215 2.397 -2.062 -7.989 1.00 0.00 H new ATOM 0 HE1 MET A 215 -0.605 -1.867 -10.076 1.00 0.00 H new ATOM 0 HE2 MET A 215 0.798 -2.746 -9.425 1.00 0.00 H new ATOM 0 HE3 MET A 215 -0.666 -2.548 -8.433 1.00 0.00 H new ATOM 1083 N THR A 216 5.700 -1.759 -7.039 1.00 0.00 N ATOM 1084 CA THR A 216 6.608 -2.719 -7.644 1.00 0.00 C ATOM 1085 C THR A 216 6.905 -3.860 -6.667 1.00 0.00 C ATOM 1086 O THR A 216 6.994 -5.019 -7.070 1.00 0.00 O ATOM 1087 CB THR A 216 7.861 -1.965 -8.096 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.646 -1.739 -9.487 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.118 -2.836 -8.050 1.00 0.00 C ATOM 0 H THR A 216 6.104 -0.838 -6.868 1.00 0.00 H new ATOM 0 HA THR A 216 6.161 -3.190 -8.520 1.00 0.00 H new ATOM 0 HB THR A 216 8.005 -1.088 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.410 -1.253 -9.861 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.977 -2.252 -8.380 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.284 -3.181 -7.030 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.989 -3.696 -8.707 1.00 0.00 H new ATOM 1097 N ALA A 217 7.051 -3.491 -5.403 1.00 0.00 N ATOM 1098 CA ALA A 217 7.337 -4.469 -4.367 1.00 0.00 C ATOM 1099 C ALA A 217 6.084 -5.306 -4.103 1.00 0.00 C ATOM 1100 O ALA A 217 6.171 -6.518 -3.916 1.00 0.00 O ATOM 1101 CB ALA A 217 7.833 -3.750 -3.111 1.00 0.00 C ATOM 0 H ALA A 217 6.977 -2.529 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 217 8.126 -5.149 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.048 -4.483 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.740 -3.193 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.065 -3.061 -2.759 1.00 0.00 H new ATOM 1107 N CYS A 218 4.947 -4.625 -4.096 1.00 0.00 N ATOM 1108 CA CYS A 218 3.677 -5.291 -3.858 1.00 0.00 C ATOM 1109 C CYS A 218 3.447 -6.303 -4.982 1.00 0.00 C ATOM 1110 O CYS A 218 3.068 -7.445 -4.727 1.00 0.00 O ATOM 1111 CB CYS A 218 2.525 -4.291 -3.746 1.00 0.00 C ATOM 1112 SG CYS A 218 1.095 -5.072 -2.914 1.00 0.00 S ATOM 0 H CYS A 218 4.879 -3.619 -4.251 1.00 0.00 H new ATOM 0 HA CYS A 218 3.712 -5.813 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.848 -3.414 -3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.235 -3.946 -4.738 1.00 0.00 H new ATOM 0 HG CYS A 218 0.219 -4.161 -2.610 1.00 0.00 H new ATOM 1118 N GLN A 219 3.688 -5.848 -6.203 1.00 0.00 N ATOM 1119 CA GLN A 219 3.511 -6.699 -7.367 1.00 0.00 C ATOM 1120 C GLN A 219 4.457 -7.899 -7.296 1.00 0.00 C ATOM 1121 O GLN A 219 4.185 -8.944 -7.884 1.00 0.00 O ATOM 1122 CB GLN A 219 3.724 -5.909 -8.661 1.00 0.00 C ATOM 1123 CG GLN A 219 2.521 -6.055 -9.596 1.00 0.00 C ATOM 1124 CD GLN A 219 2.906 -5.725 -11.040 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.539 -6.501 -11.734 1.00 0.00 O ATOM 1126 NE2 GLN A 219 2.489 -4.529 -11.449 1.00 0.00 N ATOM 0 H GLN A 219 4.004 -4.901 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 219 2.486 -7.069 -7.370 1.00 0.00 H new ATOM 0 HB2 GLN A 219 3.882 -4.856 -8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.625 -6.262 -9.163 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.135 -7.073 -9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 219 1.719 -5.393 -9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 219 1.962 -3.928 -10.815 1.00 0.00 H new ATOM 0 HE22 GLN A 219 2.696 -4.213 -12.397 1.00 0.00 H new ATOM 1135 N GLY A 220 5.549 -7.707 -6.570 1.00 0.00 N ATOM 1136 CA GLY A 220 6.537 -8.762 -6.414 1.00 0.00 C ATOM 1137 C GLY A 220 6.083 -9.791 -5.377 1.00 0.00 C ATOM 1138 O GLY A 220 6.530 -10.936 -5.395 1.00 0.00 O ATOM 0 H GLY A 220 5.771 -6.838 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.702 -9.255 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.490 -8.330 -6.109 1.00 0.00 H new ATOM 1142 N VAL A 221 5.198 -9.344 -4.496 1.00 0.00 N ATOM 1143 CA VAL A 221 4.678 -10.212 -3.454 1.00 0.00 C ATOM 1144 C VAL A 221 4.327 -11.574 -4.056 1.00 0.00 C ATOM 1145 O VAL A 221 3.773 -11.648 -5.152 1.00 0.00 O ATOM 1146 CB VAL A 221 3.492 -9.541 -2.759 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.181 -9.864 -3.479 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.420 -9.944 -1.284 1.00 0.00 C ATOM 0 H VAL A 221 4.829 -8.393 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 221 5.433 -10.383 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 221 3.644 -8.463 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.354 -9.375 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.232 -9.505 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 221 2.022 -10.942 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.568 -9.453 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.303 -11.025 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.337 -9.641 -0.779 1.00 0.00 H new