USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 250 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 252 CYS SG : rot 180:sc= 0.128 USER MOD Set 2.1: A 243 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0127) USER MOD Set 2.2: A 255 LYS NZ :NH3+ -172:sc=-0.00186 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 159:sc= -1.11 (180deg=-2.37) USER MOD Single : A 193 THR OG1 : rot 37:sc= -0.775 USER MOD Single : A 197 LYS NZ :NH3+ 125:sc= -0.0667 (180deg=-0.524) USER MOD Single : A 201 TYR OH : rot 180:sc= 0 USER MOD Single : A 210 SER OG : rot 180:sc= -0.258 USER MOD Single : A 226 CYS SG : rot -4:sc= 1.03 USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 LYS NZ :NH3+ 174:sc= 1.11 (180deg=0.925) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 HIS :FLIP no HD1:sc= -17.1! C(o=-23!,f=-17!) USER MOD Single : A 246 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -1.494 8.151 -5.305 1.00 0.00 N ATOM 2 CA LYS A 183 -1.096 7.024 -6.189 1.00 0.00 C ATOM 3 C LYS A 183 -1.488 5.773 -5.428 1.00 0.00 C ATOM 4 O LYS A 183 -1.638 5.819 -4.229 1.00 0.00 O ATOM 5 CB LYS A 183 0.420 7.142 -6.371 1.00 0.00 C ATOM 6 CG LYS A 183 1.061 5.752 -6.569 1.00 0.00 C ATOM 7 CD LYS A 183 1.632 5.684 -7.975 1.00 0.00 C ATOM 8 CE LYS A 183 3.151 5.852 -7.928 1.00 0.00 C ATOM 9 NZ LYS A 183 3.695 4.498 -8.224 1.00 0.00 N ATOM 0 HA LYS A 183 -1.563 7.014 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 183 0.639 7.774 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.858 7.628 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.847 5.588 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.319 4.968 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.377 4.729 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.190 6.464 -8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.491 6.583 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.480 6.205 -6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.676 4.584 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.673 3.919 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.117 4.045 -8.960 1.00 0.00 H new ATOM 23 N ILE A 184 -1.675 4.667 -6.064 1.00 0.00 N ATOM 24 CA ILE A 184 -2.069 3.487 -5.269 1.00 0.00 C ATOM 25 C ILE A 184 -1.204 2.272 -5.638 1.00 0.00 C ATOM 26 O ILE A 184 -0.360 2.353 -6.505 1.00 0.00 O ATOM 27 CB ILE A 184 -3.541 3.255 -5.626 1.00 0.00 C ATOM 28 CG1 ILE A 184 -4.369 4.477 -5.214 1.00 0.00 C ATOM 29 CG2 ILE A 184 -4.072 2.020 -4.897 1.00 0.00 C ATOM 30 CD1 ILE A 184 -5.582 4.606 -6.135 1.00 0.00 C ATOM 0 H ILE A 184 -1.577 4.526 -7.069 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.931 3.638 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.621 3.100 -6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.694 4.377 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -3.759 5.379 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -5.119 1.865 -5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.491 1.146 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.985 2.167 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -6.171 5.475 -5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -5.246 4.726 -7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.196 3.709 -6.056 1.00 0.00 H new ATOM 42 N PHE A 185 -1.396 1.148 -4.984 1.00 0.00 N ATOM 43 CA PHE A 185 -0.571 -0.058 -5.309 1.00 0.00 C ATOM 44 C PHE A 185 -1.377 -1.345 -5.089 1.00 0.00 C ATOM 45 O PHE A 185 -1.777 -1.654 -3.990 1.00 0.00 O ATOM 46 CB PHE A 185 0.637 0.039 -4.357 1.00 0.00 C ATOM 47 CG PHE A 185 0.951 -1.293 -3.694 1.00 0.00 C ATOM 48 CD1 PHE A 185 1.122 -2.444 -4.473 1.00 0.00 C ATOM 49 CD2 PHE A 185 1.077 -1.373 -2.297 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.415 -3.668 -3.859 1.00 0.00 C ATOM 51 CE2 PHE A 185 1.370 -2.597 -1.687 1.00 0.00 C ATOM 52 CZ PHE A 185 1.538 -3.744 -2.468 1.00 0.00 C ATOM 0 H PHE A 185 -2.085 1.016 -4.244 1.00 0.00 H new ATOM 0 HA PHE A 185 -0.259 -0.090 -6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.510 0.381 -4.913 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.434 0.786 -3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 185 1.028 -2.388 -5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 185 0.947 -0.487 -1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.546 -4.555 -4.461 1.00 0.00 H new ATOM 0 HE2 PHE A 185 1.466 -2.656 -0.613 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.763 -4.689 -1.997 1.00 0.00 H new ATOM 62 N VAL A 186 -1.602 -2.111 -6.126 1.00 0.00 N ATOM 63 CA VAL A 186 -2.365 -3.381 -5.948 1.00 0.00 C ATOM 64 C VAL A 186 -1.398 -4.518 -5.625 1.00 0.00 C ATOM 65 O VAL A 186 -0.436 -4.740 -6.332 1.00 0.00 O ATOM 66 CB VAL A 186 -3.071 -3.640 -7.281 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.897 -4.935 -7.185 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.999 -2.463 -7.598 1.00 0.00 C ATOM 0 H VAL A 186 -1.294 -1.914 -7.078 1.00 0.00 H new ATOM 0 HA VAL A 186 -3.083 -3.315 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 186 -2.329 -3.745 -8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -4.399 -5.118 -8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -3.237 -5.772 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.641 -4.834 -6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -4.504 -2.643 -8.547 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.741 -2.361 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -3.413 -1.546 -7.667 1.00 0.00 H new ATOM 78 N GLY A 187 -1.634 -5.233 -4.556 1.00 0.00 N ATOM 79 CA GLY A 187 -0.707 -6.345 -4.188 1.00 0.00 C ATOM 80 C GLY A 187 -1.319 -7.697 -4.548 1.00 0.00 C ATOM 81 O GLY A 187 -1.509 -8.554 -3.708 1.00 0.00 O ATOM 0 H GLY A 187 -2.424 -5.097 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 187 0.243 -6.220 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.494 -6.309 -3.120 1.00 0.00 H new ATOM 148 N THR A 193 -0.342 -6.243 -16.044 1.00 0.00 N ATOM 149 CA THR A 193 -1.351 -5.434 -15.299 1.00 0.00 C ATOM 150 C THR A 193 -2.352 -4.788 -16.279 1.00 0.00 C ATOM 151 O THR A 193 -1.950 -4.171 -17.246 1.00 0.00 O ATOM 152 CB THR A 193 -0.532 -4.365 -14.569 1.00 0.00 C ATOM 153 OG1 THR A 193 0.064 -4.938 -13.412 1.00 0.00 O ATOM 154 CG2 THR A 193 -1.447 -3.209 -14.153 1.00 0.00 C ATOM 0 HA THR A 193 -1.941 -6.037 -14.609 1.00 0.00 H new ATOM 0 HB THR A 193 0.246 -3.987 -15.233 1.00 0.00 H new ATOM 0 HG1 THR A 193 0.333 -5.860 -13.605 1.00 0.00 H new ATOM 0 HG21 THR A 193 -0.861 -2.450 -13.634 1.00 0.00 H new ATOM 0 HG22 THR A 193 -1.905 -2.770 -15.040 1.00 0.00 H new ATOM 0 HG23 THR A 193 -2.227 -3.583 -13.489 1.00 0.00 H new ATOM 162 N PRO A 194 -3.630 -4.962 -16.007 1.00 0.00 N ATOM 163 CA PRO A 194 -4.694 -4.400 -16.885 1.00 0.00 C ATOM 164 C PRO A 194 -4.741 -2.863 -16.844 1.00 0.00 C ATOM 165 O PRO A 194 -5.777 -2.284 -16.613 1.00 0.00 O ATOM 166 CB PRO A 194 -5.972 -4.986 -16.274 1.00 0.00 C ATOM 167 CG PRO A 194 -5.590 -5.857 -15.063 1.00 0.00 C ATOM 168 CD PRO A 194 -4.081 -5.734 -14.825 1.00 0.00 C ATOM 0 HA PRO A 194 -4.539 -4.648 -17.935 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.644 -4.185 -15.966 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -6.505 -5.582 -17.014 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -6.139 -5.536 -14.178 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.860 -6.897 -15.246 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -3.859 -5.215 -13.893 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -3.598 -6.710 -14.770 1.00 0.00 H new ATOM 176 N GLU A 195 -3.633 -2.206 -17.064 1.00 0.00 N ATOM 177 CA GLU A 195 -3.611 -0.702 -17.035 1.00 0.00 C ATOM 178 C GLU A 195 -4.881 -0.124 -17.612 1.00 0.00 C ATOM 179 O GLU A 195 -5.639 0.522 -16.935 1.00 0.00 O ATOM 180 CB GLU A 195 -2.482 -0.209 -17.955 1.00 0.00 C ATOM 181 CG GLU A 195 -1.734 -1.367 -18.630 1.00 0.00 C ATOM 182 CD GLU A 195 -0.808 -0.813 -19.713 1.00 0.00 C ATOM 183 OE1 GLU A 195 -0.655 0.396 -19.771 1.00 0.00 O ATOM 184 OE2 GLU A 195 -0.269 -1.606 -20.467 1.00 0.00 O ATOM 0 H GLU A 195 -2.734 -2.644 -17.264 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.485 -0.394 -15.997 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -2.899 0.446 -18.720 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -1.777 0.387 -17.375 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -1.156 -1.921 -17.890 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -2.445 -2.067 -19.068 1.00 0.00 H new ATOM 191 N GLU A 196 -5.102 -0.306 -18.878 1.00 0.00 N ATOM 192 CA GLU A 196 -6.308 0.294 -19.477 1.00 0.00 C ATOM 193 C GLU A 196 -7.505 -0.015 -18.586 1.00 0.00 C ATOM 194 O GLU A 196 -8.345 0.825 -18.325 1.00 0.00 O ATOM 195 CB GLU A 196 -6.455 -0.351 -20.858 1.00 0.00 C ATOM 196 CG GLU A 196 -6.652 0.738 -21.915 1.00 0.00 C ATOM 197 CD GLU A 196 -8.145 0.909 -22.202 1.00 0.00 C ATOM 198 OE1 GLU A 196 -8.912 0.927 -21.254 1.00 0.00 O ATOM 199 OE2 GLU A 196 -8.494 1.020 -23.366 1.00 0.00 O ATOM 0 H GLU A 196 -4.507 -0.837 -19.513 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.241 1.378 -19.571 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.569 -0.942 -21.091 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.304 -1.034 -20.863 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -6.228 1.679 -21.565 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -6.124 0.471 -22.830 1.00 0.00 H new ATOM 206 N LYS A 197 -7.556 -1.213 -18.082 1.00 0.00 N ATOM 207 CA LYS A 197 -8.666 -1.585 -17.163 1.00 0.00 C ATOM 208 C LYS A 197 -8.404 -0.913 -15.815 1.00 0.00 C ATOM 209 O LYS A 197 -9.308 -0.582 -15.075 1.00 0.00 O ATOM 210 CB LYS A 197 -8.596 -3.108 -17.036 1.00 0.00 C ATOM 211 CG LYS A 197 -9.907 -3.725 -17.528 1.00 0.00 C ATOM 212 CD LYS A 197 -9.767 -5.249 -17.583 1.00 0.00 C ATOM 213 CE LYS A 197 -11.000 -5.854 -18.260 1.00 0.00 C ATOM 214 NZ LYS A 197 -10.979 -7.295 -17.880 1.00 0.00 N ATOM 0 H LYS A 197 -6.877 -1.952 -18.266 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.648 -1.273 -17.517 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -7.760 -3.494 -17.619 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.417 -3.389 -15.998 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.724 -3.448 -16.861 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -10.156 -3.336 -18.516 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -8.867 -5.522 -18.134 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -9.659 -5.651 -16.576 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -11.915 -5.369 -17.920 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -10.957 -5.730 -19.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -11.884 -7.550 -17.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -10.835 -7.876 -18.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -10.203 -7.466 -17.209 1.00 0.00 H new ATOM 228 N ILE A 198 -7.152 -0.697 -15.518 1.00 0.00 N ATOM 229 CA ILE A 198 -6.771 -0.030 -14.250 1.00 0.00 C ATOM 230 C ILE A 198 -7.267 1.418 -14.289 1.00 0.00 C ATOM 231 O ILE A 198 -8.019 1.856 -13.443 1.00 0.00 O ATOM 232 CB ILE A 198 -5.225 -0.139 -14.207 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.826 -0.668 -12.833 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.546 1.224 -14.418 1.00 0.00 C ATOM 235 CD1 ILE A 198 -4.838 -2.198 -12.846 1.00 0.00 C ATOM 0 H ILE A 198 -6.367 -0.961 -16.113 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.207 -0.476 -13.356 1.00 0.00 H new ATOM 0 HB ILE A 198 -4.905 -0.804 -15.009 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.833 -0.305 -12.567 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -5.515 -0.296 -12.075 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.464 1.101 -14.380 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -4.832 1.626 -15.390 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -4.860 1.912 -13.634 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -4.552 -2.572 -11.863 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -5.839 -2.552 -13.092 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -4.131 -2.561 -13.592 1.00 0.00 H new ATOM 247 N ARG A 199 -6.873 2.147 -15.291 1.00 0.00 N ATOM 248 CA ARG A 199 -7.336 3.552 -15.426 1.00 0.00 C ATOM 249 C ARG A 199 -8.862 3.568 -15.336 1.00 0.00 C ATOM 250 O ARG A 199 -9.456 4.465 -14.775 1.00 0.00 O ATOM 251 CB ARG A 199 -6.860 3.985 -16.821 1.00 0.00 C ATOM 252 CG ARG A 199 -7.704 5.165 -17.314 1.00 0.00 C ATOM 253 CD ARG A 199 -7.119 5.708 -18.620 1.00 0.00 C ATOM 254 NE ARG A 199 -8.047 5.234 -19.684 1.00 0.00 N ATOM 255 CZ ARG A 199 -8.249 5.965 -20.747 1.00 0.00 C ATOM 256 NH1 ARG A 199 -9.016 7.019 -20.678 1.00 0.00 N ATOM 257 NH2 ARG A 199 -7.688 5.640 -21.880 1.00 0.00 N ATOM 0 H ARG A 199 -6.245 1.827 -16.028 1.00 0.00 H new ATOM 0 HA ARG A 199 -6.952 4.218 -14.653 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -5.808 4.268 -16.785 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -6.942 3.151 -17.518 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -8.735 4.847 -17.471 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -7.724 5.951 -16.559 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -7.060 6.796 -18.604 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -6.108 5.336 -18.784 1.00 0.00 H new ATOM 0 HE ARG A 199 -8.525 4.339 -19.582 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -9.457 7.272 -19.794 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -9.174 7.590 -21.508 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -7.091 4.815 -21.935 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -7.846 6.211 -22.710 1.00 0.00 H new ATOM 271 N GLU A 200 -9.498 2.562 -15.879 1.00 0.00 N ATOM 272 CA GLU A 200 -10.987 2.497 -15.821 1.00 0.00 C ATOM 273 C GLU A 200 -11.455 2.445 -14.388 1.00 0.00 C ATOM 274 O GLU A 200 -12.441 3.058 -14.033 1.00 0.00 O ATOM 275 CB GLU A 200 -11.368 1.218 -16.565 1.00 0.00 C ATOM 276 CG GLU A 200 -11.345 1.478 -18.073 1.00 0.00 C ATOM 277 CD GLU A 200 -12.552 0.802 -18.725 1.00 0.00 C ATOM 278 OE1 GLU A 200 -13.572 0.690 -18.065 1.00 0.00 O ATOM 279 OE2 GLU A 200 -12.434 0.407 -19.873 1.00 0.00 O ATOM 0 H GLU A 200 -9.049 1.783 -16.360 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.452 3.374 -16.271 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -10.673 0.417 -16.313 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.360 0.888 -16.257 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -11.366 2.550 -18.268 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -10.421 1.093 -18.505 1.00 0.00 H new ATOM 286 N TYR A 201 -10.778 1.737 -13.550 1.00 0.00 N ATOM 287 CA TYR A 201 -11.248 1.705 -12.159 1.00 0.00 C ATOM 288 C TYR A 201 -10.571 2.815 -11.371 1.00 0.00 C ATOM 289 O TYR A 201 -11.184 3.796 -11.004 1.00 0.00 O ATOM 290 CB TYR A 201 -10.853 0.340 -11.603 1.00 0.00 C ATOM 291 CG TYR A 201 -11.870 -0.115 -10.583 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.238 0.060 -10.825 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.440 -0.718 -9.395 1.00 0.00 C ATOM 294 CE1 TYR A 201 -14.176 -0.367 -9.877 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.378 -1.146 -8.448 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.747 -0.970 -8.689 1.00 0.00 C ATOM 297 OH TYR A 201 -14.672 -1.391 -7.755 1.00 0.00 O ATOM 0 H TYR A 201 -9.941 1.193 -13.760 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.325 1.855 -12.091 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -10.787 -0.387 -12.413 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -9.866 0.396 -11.144 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.569 0.524 -11.742 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.385 -0.853 -9.209 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.231 -0.231 -10.063 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -12.046 -1.612 -7.532 1.00 0.00 H new ATOM 0 HH TYR A 201 -14.206 -1.789 -6.990 1.00 0.00 H new ATOM 307 N PHE A 202 -9.301 2.669 -11.116 1.00 0.00 N ATOM 308 CA PHE A 202 -8.583 3.718 -10.358 1.00 0.00 C ATOM 309 C PHE A 202 -8.727 5.048 -11.087 1.00 0.00 C ATOM 310 O PHE A 202 -9.152 6.037 -10.520 1.00 0.00 O ATOM 311 CB PHE A 202 -7.120 3.261 -10.322 1.00 0.00 C ATOM 312 CG PHE A 202 -7.024 1.904 -9.680 1.00 0.00 C ATOM 313 CD1 PHE A 202 -7.782 1.596 -8.545 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.173 0.947 -10.235 1.00 0.00 C ATOM 315 CE1 PHE A 202 -7.684 0.325 -7.964 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.075 -0.323 -9.658 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.830 -0.635 -8.522 1.00 0.00 C ATOM 0 H PHE A 202 -8.735 1.870 -11.401 1.00 0.00 H new ATOM 0 HA PHE A 202 -8.973 3.858 -9.350 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.716 3.224 -11.334 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.519 3.980 -9.765 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -8.441 2.337 -8.118 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -5.589 1.188 -11.111 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -8.266 0.085 -7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -5.417 -1.063 -10.089 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.754 -1.616 -8.076 1.00 0.00 H new ATOM 327 N GLY A 203 -8.418 5.077 -12.354 1.00 0.00 N ATOM 328 CA GLY A 203 -8.587 6.339 -13.112 1.00 0.00 C ATOM 329 C GLY A 203 -10.044 6.765 -12.961 1.00 0.00 C ATOM 330 O GLY A 203 -10.392 7.918 -13.123 1.00 0.00 O ATOM 0 H GLY A 203 -8.059 4.287 -12.890 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -7.919 7.110 -12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.336 6.193 -14.163 1.00 0.00 H new ATOM 334 N GLY A 204 -10.896 5.831 -12.620 1.00 0.00 N ATOM 335 CA GLY A 204 -12.332 6.157 -12.421 1.00 0.00 C ATOM 336 C GLY A 204 -12.470 7.008 -11.160 1.00 0.00 C ATOM 337 O GLY A 204 -13.157 8.010 -11.151 1.00 0.00 O ATOM 0 H GLY A 204 -10.652 4.852 -12.471 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -12.721 6.696 -13.285 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.918 5.243 -12.326 1.00 0.00 H new ATOM 341 N PHE A 205 -11.809 6.630 -10.092 1.00 0.00 N ATOM 342 CA PHE A 205 -11.906 7.451 -8.849 1.00 0.00 C ATOM 343 C PHE A 205 -11.435 8.870 -9.154 1.00 0.00 C ATOM 344 O PHE A 205 -11.922 9.839 -8.609 1.00 0.00 O ATOM 345 CB PHE A 205 -10.963 6.781 -7.851 1.00 0.00 C ATOM 346 CG PHE A 205 -11.562 5.473 -7.408 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.332 4.316 -8.157 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.351 5.419 -6.254 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.890 3.098 -7.750 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.911 4.203 -5.846 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.679 3.042 -6.593 1.00 0.00 C ATOM 0 H PHE A 205 -11.216 5.802 -10.029 1.00 0.00 H new ATOM 0 HA PHE A 205 -12.922 7.511 -8.460 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -9.989 6.612 -8.310 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.802 7.431 -6.991 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.725 4.361 -9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.528 6.315 -5.678 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.713 2.203 -8.327 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.521 4.160 -4.956 1.00 0.00 H new ATOM 0 HZ PHE A 205 -13.108 2.103 -6.278 1.00 0.00 H new ATOM 361 N GLY A 206 -10.490 8.982 -10.039 1.00 0.00 N ATOM 362 CA GLY A 206 -9.960 10.316 -10.423 1.00 0.00 C ATOM 363 C GLY A 206 -9.048 10.128 -11.631 1.00 0.00 C ATOM 364 O GLY A 206 -8.190 9.267 -11.633 1.00 0.00 O ATOM 0 H GLY A 206 -10.055 8.194 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -10.777 10.996 -10.664 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -9.409 10.761 -9.594 1.00 0.00 H new ATOM 368 N GLU A 207 -9.229 10.903 -12.666 1.00 0.00 N ATOM 369 CA GLU A 207 -8.367 10.733 -13.870 1.00 0.00 C ATOM 370 C GLU A 207 -6.920 10.497 -13.449 1.00 0.00 C ATOM 371 O GLU A 207 -6.435 11.072 -12.495 1.00 0.00 O ATOM 372 CB GLU A 207 -8.486 12.030 -14.660 1.00 0.00 C ATOM 373 CG GLU A 207 -7.896 13.183 -13.845 1.00 0.00 C ATOM 374 CD GLU A 207 -7.927 14.466 -14.678 1.00 0.00 C ATOM 375 OE1 GLU A 207 -8.996 14.820 -15.146 1.00 0.00 O ATOM 376 OE2 GLU A 207 -6.880 15.073 -14.833 1.00 0.00 O ATOM 0 H GLU A 207 -9.931 11.641 -12.730 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.676 9.875 -14.468 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.962 11.938 -15.611 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.532 12.232 -14.891 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -8.465 13.320 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -6.872 12.950 -13.555 1.00 0.00 H new ATOM 383 N VAL A 208 -6.238 9.642 -14.146 1.00 0.00 N ATOM 384 CA VAL A 208 -4.830 9.339 -13.788 1.00 0.00 C ATOM 385 C VAL A 208 -3.860 10.241 -14.548 1.00 0.00 C ATOM 386 O VAL A 208 -4.045 10.536 -15.712 1.00 0.00 O ATOM 387 CB VAL A 208 -4.639 7.876 -14.218 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.168 7.604 -14.568 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.061 6.960 -13.077 1.00 0.00 C ATOM 0 H VAL A 208 -6.597 9.135 -14.955 1.00 0.00 H new ATOM 0 HA VAL A 208 -4.633 9.502 -12.728 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.251 7.685 -15.100 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.052 6.563 -14.870 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -2.862 8.256 -15.387 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -2.544 7.800 -13.696 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -4.928 5.921 -13.377 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -4.448 7.166 -12.199 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.110 7.137 -12.837 1.00 0.00 H new ATOM 399 N GLU A 209 -2.789 10.617 -13.912 1.00 0.00 N ATOM 400 CA GLU A 209 -1.764 11.422 -14.615 1.00 0.00 C ATOM 401 C GLU A 209 -0.836 10.408 -15.261 1.00 0.00 C ATOM 402 O GLU A 209 -0.557 10.448 -16.444 1.00 0.00 O ATOM 403 CB GLU A 209 -1.042 12.222 -13.529 1.00 0.00 C ATOM 404 CG GLU A 209 -0.027 13.165 -14.178 1.00 0.00 C ATOM 405 CD GLU A 209 1.038 13.558 -13.151 1.00 0.00 C ATOM 406 OE1 GLU A 209 1.909 12.744 -12.888 1.00 0.00 O ATOM 407 OE2 GLU A 209 0.964 14.666 -12.645 1.00 0.00 O ATOM 0 H GLU A 209 -2.582 10.401 -12.937 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.152 12.106 -15.370 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.763 12.793 -12.944 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.537 11.546 -12.840 1.00 0.00 H new ATOM 0 HG2 GLU A 209 0.441 12.679 -15.034 1.00 0.00 H new ATOM 0 HG3 GLU A 209 -0.531 14.056 -14.553 1.00 0.00 H new ATOM 414 N SER A 210 -0.414 9.447 -14.483 1.00 0.00 N ATOM 415 CA SER A 210 0.429 8.359 -15.014 1.00 0.00 C ATOM 416 C SER A 210 0.201 7.143 -14.131 1.00 0.00 C ATOM 417 O SER A 210 -0.219 7.274 -13.003 1.00 0.00 O ATOM 418 CB SER A 210 1.871 8.848 -14.919 1.00 0.00 C ATOM 419 OG SER A 210 2.041 9.979 -15.765 1.00 0.00 O ATOM 0 H SER A 210 -0.626 9.377 -13.488 1.00 0.00 H new ATOM 0 HA SER A 210 0.199 8.094 -16.046 1.00 0.00 H new ATOM 0 HB2 SER A 210 2.111 9.111 -13.889 1.00 0.00 H new ATOM 0 HB3 SER A 210 2.557 8.053 -15.213 1.00 0.00 H new ATOM 0 HG SER A 210 2.966 10.296 -15.705 1.00 0.00 H new ATOM 425 N ILE A 211 0.473 5.971 -14.602 1.00 0.00 N ATOM 426 CA ILE A 211 0.262 4.793 -13.723 1.00 0.00 C ATOM 427 C ILE A 211 1.593 4.130 -13.425 1.00 0.00 C ATOM 428 O ILE A 211 2.648 4.645 -13.738 1.00 0.00 O ATOM 429 CB ILE A 211 -0.633 3.829 -14.481 1.00 0.00 C ATOM 430 CG1 ILE A 211 0.016 3.447 -15.811 1.00 0.00 C ATOM 431 CG2 ILE A 211 -1.990 4.477 -14.734 1.00 0.00 C ATOM 432 CD1 ILE A 211 -0.480 2.065 -16.241 1.00 0.00 C ATOM 0 H ILE A 211 0.826 5.773 -15.538 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.193 5.088 -12.777 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.771 2.928 -13.884 1.00 0.00 H new ATOM 0 HG12 ILE A 211 -0.229 4.187 -16.573 1.00 0.00 H new ATOM 0 HG13 ILE A 211 1.101 3.441 -15.710 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.629 3.782 -15.278 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.456 4.729 -13.781 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -1.856 5.384 -15.323 1.00 0.00 H new ATOM 0 HD11 ILE A 211 -0.018 1.791 -17.190 1.00 0.00 H new ATOM 0 HD12 ILE A 211 -0.213 1.330 -15.482 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -1.563 2.088 -16.359 1.00 0.00 H new ATOM 444 N GLU A 212 1.548 2.988 -12.824 1.00 0.00 N ATOM 445 CA GLU A 212 2.804 2.273 -12.501 1.00 0.00 C ATOM 446 C GLU A 212 2.539 0.769 -12.483 1.00 0.00 C ATOM 447 O GLU A 212 1.538 0.313 -11.978 1.00 0.00 O ATOM 448 CB GLU A 212 3.187 2.789 -11.119 1.00 0.00 C ATOM 449 CG GLU A 212 4.351 1.962 -10.567 1.00 0.00 C ATOM 450 CD GLU A 212 5.596 2.202 -11.423 1.00 0.00 C ATOM 451 OE1 GLU A 212 5.816 3.338 -11.808 1.00 0.00 O ATOM 452 OE2 GLU A 212 6.308 1.244 -11.678 1.00 0.00 O ATOM 0 H GLU A 212 0.692 2.513 -12.539 1.00 0.00 H new ATOM 0 HA GLU A 212 3.601 2.442 -13.225 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.470 3.840 -11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.332 2.726 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.549 2.239 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.093 0.903 -10.570 1.00 0.00 H new ATOM 459 N LEU A 213 3.411 -0.013 -13.041 1.00 0.00 N ATOM 460 CA LEU A 213 3.161 -1.477 -13.045 1.00 0.00 C ATOM 461 C LEU A 213 4.079 -2.180 -12.070 1.00 0.00 C ATOM 462 O LEU A 213 4.972 -1.570 -11.519 1.00 0.00 O ATOM 463 CB LEU A 213 3.475 -1.939 -14.462 1.00 0.00 C ATOM 464 CG LEU A 213 2.299 -1.642 -15.403 1.00 0.00 C ATOM 465 CD1 LEU A 213 2.376 -2.572 -16.614 1.00 0.00 C ATOM 466 CD2 LEU A 213 0.965 -1.866 -14.680 1.00 0.00 C ATOM 0 H LEU A 213 4.275 0.290 -13.489 1.00 0.00 H new ATOM 0 HA LEU A 213 2.137 -1.704 -12.750 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.372 -1.436 -14.823 1.00 0.00 H new ATOM 0 HB3 LEU A 213 3.687 -3.008 -14.463 1.00 0.00 H new ATOM 0 HG LEU A 213 2.358 -0.602 -15.724 1.00 0.00 H new ATOM 0 HD11 LEU A 213 1.543 -2.365 -17.285 1.00 0.00 H new ATOM 0 HD12 LEU A 213 3.316 -2.407 -17.141 1.00 0.00 H new ATOM 0 HD13 LEU A 213 2.324 -3.608 -16.281 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.141 -1.651 -15.361 1.00 0.00 H new ATOM 0 HD22 LEU A 213 0.900 -2.902 -14.348 1.00 0.00 H new ATOM 0 HD23 LEU A 213 0.904 -1.204 -13.816 1.00 0.00 H new ATOM 478 N PRO A 214 3.838 -3.452 -11.886 1.00 0.00 N ATOM 479 CA PRO A 214 4.670 -4.235 -10.970 1.00 0.00 C ATOM 480 C PRO A 214 6.161 -4.041 -11.273 1.00 0.00 C ATOM 481 O PRO A 214 6.769 -4.831 -11.967 1.00 0.00 O ATOM 482 CB PRO A 214 4.218 -5.673 -11.244 1.00 0.00 C ATOM 483 CG PRO A 214 3.117 -5.641 -12.322 1.00 0.00 C ATOM 484 CD PRO A 214 2.728 -4.179 -12.561 1.00 0.00 C ATOM 0 HA PRO A 214 4.556 -3.946 -9.925 1.00 0.00 H new ATOM 0 HB2 PRO A 214 5.060 -6.278 -11.580 1.00 0.00 H new ATOM 0 HB3 PRO A 214 3.841 -6.132 -10.330 1.00 0.00 H new ATOM 0 HG2 PRO A 214 3.475 -6.095 -13.246 1.00 0.00 H new ATOM 0 HG3 PRO A 214 2.250 -6.218 -11.998 1.00 0.00 H new ATOM 0 HD2 PRO A 214 2.670 -3.940 -13.623 1.00 0.00 H new ATOM 0 HD3 PRO A 214 1.758 -3.938 -12.126 1.00 0.00 H new ATOM 662 N PHE A 225 2.340 -6.969 -8.262 1.00 0.00 N ATOM 663 CA PHE A 225 1.464 -5.805 -7.935 1.00 0.00 C ATOM 664 C PHE A 225 1.512 -4.766 -9.047 1.00 0.00 C ATOM 665 O PHE A 225 2.006 -5.009 -10.125 1.00 0.00 O ATOM 666 CB PHE A 225 2.040 -5.198 -6.651 1.00 0.00 C ATOM 667 CG PHE A 225 3.551 -5.219 -6.694 1.00 0.00 C ATOM 668 CD1 PHE A 225 4.244 -6.417 -6.484 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.256 -4.036 -6.939 1.00 0.00 C ATOM 670 CE1 PHE A 225 5.643 -6.431 -6.520 1.00 0.00 C ATOM 671 CE2 PHE A 225 5.654 -4.049 -6.976 1.00 0.00 C ATOM 672 CZ PHE A 225 6.348 -5.247 -6.767 1.00 0.00 C ATOM 0 HA PHE A 225 0.426 -6.117 -7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 225 1.687 -4.173 -6.534 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.686 -5.758 -5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 225 3.699 -7.330 -6.294 1.00 0.00 H new ATOM 0 HD2 PHE A 225 3.720 -3.112 -7.100 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.178 -7.355 -6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 225 6.198 -3.135 -7.166 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.428 -5.258 -6.796 1.00 0.00 H new ATOM 682 N CYS A 226 1.010 -3.598 -8.775 1.00 0.00 N ATOM 683 CA CYS A 226 1.031 -2.515 -9.794 1.00 0.00 C ATOM 684 C CYS A 226 0.592 -1.207 -9.123 1.00 0.00 C ATOM 685 O CYS A 226 -0.432 -1.155 -8.470 1.00 0.00 O ATOM 686 CB CYS A 226 0.035 -2.962 -10.885 1.00 0.00 C ATOM 687 SG CYS A 226 -1.638 -2.316 -10.583 1.00 0.00 S ATOM 0 H CYS A 226 0.583 -3.344 -7.884 1.00 0.00 H new ATOM 0 HA CYS A 226 2.016 -2.343 -10.227 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.386 -2.620 -11.859 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.002 -4.051 -10.922 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.660 -1.681 -9.449 1.00 0.00 H new ATOM 693 N PHE A 227 1.330 -0.150 -9.266 1.00 0.00 N ATOM 694 CA PHE A 227 0.881 1.116 -8.625 1.00 0.00 C ATOM 695 C PHE A 227 0.252 2.011 -9.686 1.00 0.00 C ATOM 696 O PHE A 227 0.087 1.630 -10.825 1.00 0.00 O ATOM 697 CB PHE A 227 2.126 1.811 -8.061 1.00 0.00 C ATOM 698 CG PHE A 227 2.654 1.121 -6.818 1.00 0.00 C ATOM 699 CD1 PHE A 227 2.807 -0.280 -6.764 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.035 1.908 -5.720 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.339 -0.879 -5.613 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.560 1.304 -4.570 1.00 0.00 C ATOM 703 CZ PHE A 227 3.714 -0.089 -4.518 1.00 0.00 C ATOM 0 H PHE A 227 2.206 -0.102 -9.786 1.00 0.00 H new ATOM 0 HA PHE A 227 0.154 0.919 -7.837 1.00 0.00 H new ATOM 0 HB2 PHE A 227 2.906 1.830 -8.823 1.00 0.00 H new ATOM 0 HB3 PHE A 227 1.886 2.848 -7.825 1.00 0.00 H new ATOM 0 HD1 PHE A 227 2.515 -0.890 -7.606 1.00 0.00 H new ATOM 0 HD2 PHE A 227 2.923 2.981 -5.762 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.460 -1.951 -5.570 1.00 0.00 H new ATOM 0 HE2 PHE A 227 3.846 1.911 -3.724 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.122 -0.554 -3.633 1.00 0.00 H new ATOM 713 N ILE A 228 -0.078 3.204 -9.319 1.00 0.00 N ATOM 714 CA ILE A 228 -0.674 4.159 -10.288 1.00 0.00 C ATOM 715 C ILE A 228 -0.592 5.550 -9.664 1.00 0.00 C ATOM 716 O ILE A 228 -0.874 5.708 -8.496 1.00 0.00 O ATOM 717 CB ILE A 228 -2.131 3.721 -10.443 1.00 0.00 C ATOM 718 CG1 ILE A 228 -2.189 2.576 -11.461 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.980 4.915 -10.913 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.549 2.531 -12.153 1.00 0.00 C ATOM 0 H ILE A 228 0.040 3.570 -8.374 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.172 4.177 -11.255 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.530 3.374 -9.490 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.402 2.705 -12.204 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -2.001 1.627 -10.958 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -4.018 4.602 -11.023 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.919 5.717 -10.177 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.605 5.273 -11.872 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.565 1.711 -12.870 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.331 2.378 -11.409 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.723 3.472 -12.674 1.00 0.00 H new ATOM 732 N THR A 229 -0.213 6.564 -10.391 1.00 0.00 N ATOM 733 CA THR A 229 -0.136 7.899 -9.747 1.00 0.00 C ATOM 734 C THR A 229 -1.174 8.828 -10.343 1.00 0.00 C ATOM 735 O THR A 229 -1.552 8.720 -11.493 1.00 0.00 O ATOM 736 CB THR A 229 1.274 8.416 -10.020 1.00 0.00 C ATOM 737 OG1 THR A 229 1.477 9.624 -9.297 1.00 0.00 O ATOM 738 CG2 THR A 229 1.439 8.680 -11.514 1.00 0.00 C ATOM 0 H THR A 229 0.040 6.527 -11.378 1.00 0.00 H new ATOM 0 HA THR A 229 -0.335 7.843 -8.677 1.00 0.00 H new ATOM 0 HB THR A 229 2.006 7.673 -9.703 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.382 9.959 -9.468 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.446 9.049 -11.709 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.278 7.755 -12.067 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.711 9.425 -11.834 1.00 0.00 H new ATOM 746 N PHE A 230 -1.638 9.731 -9.552 1.00 0.00 N ATOM 747 CA PHE A 230 -2.678 10.687 -10.035 1.00 0.00 C ATOM 748 C PHE A 230 -2.146 12.133 -9.985 1.00 0.00 C ATOM 749 O PHE A 230 -1.217 12.480 -10.687 1.00 0.00 O ATOM 750 CB PHE A 230 -3.830 10.521 -9.061 1.00 0.00 C ATOM 751 CG PHE A 230 -4.536 9.198 -9.263 1.00 0.00 C ATOM 752 CD1 PHE A 230 -5.413 9.037 -10.340 1.00 0.00 C ATOM 753 CD2 PHE A 230 -4.326 8.137 -8.365 1.00 0.00 C ATOM 754 CE1 PHE A 230 -6.076 7.819 -10.527 1.00 0.00 C ATOM 755 CE2 PHE A 230 -4.990 6.919 -8.557 1.00 0.00 C ATOM 756 CZ PHE A 230 -5.863 6.761 -9.639 1.00 0.00 C ATOM 0 H PHE A 230 -1.348 9.859 -8.583 1.00 0.00 H new ATOM 0 HA PHE A 230 -2.970 10.492 -11.067 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.456 10.584 -8.039 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.540 11.338 -9.192 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -5.579 9.853 -11.028 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.654 8.261 -7.529 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -6.754 7.696 -11.359 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.828 6.102 -7.870 1.00 0.00 H new ATOM 0 HZ PHE A 230 -6.373 5.821 -9.788 1.00 0.00 H new ATOM 766 N LYS A 231 -2.733 12.987 -9.167 1.00 0.00 N ATOM 767 CA LYS A 231 -2.252 14.396 -9.100 1.00 0.00 C ATOM 768 C LYS A 231 -2.770 15.115 -7.837 1.00 0.00 C ATOM 769 O LYS A 231 -2.061 15.891 -7.229 1.00 0.00 O ATOM 770 CB LYS A 231 -2.828 15.046 -10.355 1.00 0.00 C ATOM 771 CG LYS A 231 -2.648 16.566 -10.279 1.00 0.00 C ATOM 772 CD LYS A 231 -4.005 17.254 -10.436 1.00 0.00 C ATOM 773 CE LYS A 231 -4.578 17.585 -9.056 1.00 0.00 C ATOM 774 NZ LYS A 231 -5.821 18.361 -9.332 1.00 0.00 N ATOM 0 H LYS A 231 -3.516 12.763 -8.552 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.165 14.452 -9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -2.328 14.655 -11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -3.885 14.800 -10.451 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -2.198 16.841 -9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -1.967 16.901 -11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -3.896 18.166 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -4.692 16.605 -10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -4.796 16.679 -8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -3.872 18.168 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -6.272 18.625 -8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -5.582 19.221 -9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -6.477 17.779 -9.891 1.00 0.00 H new ATOM 788 N GLU A 232 -4.002 14.888 -7.451 1.00 0.00 N ATOM 789 CA GLU A 232 -4.550 15.592 -6.241 1.00 0.00 C ATOM 790 C GLU A 232 -4.248 14.806 -4.952 1.00 0.00 C ATOM 791 O GLU A 232 -3.174 14.915 -4.394 1.00 0.00 O ATOM 792 CB GLU A 232 -6.058 15.680 -6.492 1.00 0.00 C ATOM 793 CG GLU A 232 -6.717 16.451 -5.349 1.00 0.00 C ATOM 794 CD GLU A 232 -8.078 16.983 -5.805 1.00 0.00 C ATOM 795 OE1 GLU A 232 -8.338 16.946 -6.996 1.00 0.00 O ATOM 796 OE2 GLU A 232 -8.836 17.419 -4.954 1.00 0.00 O ATOM 0 H GLU A 232 -4.650 14.252 -7.915 1.00 0.00 H new ATOM 0 HA GLU A 232 -4.098 16.574 -6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.252 16.179 -7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -6.485 14.680 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -6.841 15.801 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -6.078 17.277 -5.038 1.00 0.00 H new ATOM 803 N GLU A 233 -5.176 14.008 -4.487 1.00 0.00 N ATOM 804 CA GLU A 233 -4.937 13.202 -3.246 1.00 0.00 C ATOM 805 C GLU A 233 -6.258 12.558 -2.775 1.00 0.00 C ATOM 806 O GLU A 233 -6.274 11.556 -2.076 1.00 0.00 O ATOM 807 CB GLU A 233 -4.433 14.200 -2.201 1.00 0.00 C ATOM 808 CG GLU A 233 -5.270 15.481 -2.268 1.00 0.00 C ATOM 809 CD GLU A 233 -5.418 16.068 -0.864 1.00 0.00 C ATOM 810 OE1 GLU A 233 -4.483 16.704 -0.407 1.00 0.00 O ATOM 811 OE2 GLU A 233 -6.464 15.869 -0.266 1.00 0.00 O ATOM 0 H GLU A 233 -6.093 13.878 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.222 12.397 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.498 13.763 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -3.383 14.430 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.793 16.205 -2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -6.252 15.265 -2.689 1.00 0.00 H new ATOM 818 N GLU A 234 -7.367 13.149 -3.141 1.00 0.00 N ATOM 819 CA GLU A 234 -8.699 12.620 -2.715 1.00 0.00 C ATOM 820 C GLU A 234 -8.991 11.213 -3.267 1.00 0.00 C ATOM 821 O GLU A 234 -9.356 10.334 -2.512 1.00 0.00 O ATOM 822 CB GLU A 234 -9.707 13.625 -3.267 1.00 0.00 C ATOM 823 CG GLU A 234 -10.525 14.209 -2.114 1.00 0.00 C ATOM 824 CD GLU A 234 -11.648 13.240 -1.742 1.00 0.00 C ATOM 825 OE1 GLU A 234 -12.081 12.505 -2.614 1.00 0.00 O ATOM 826 OE2 GLU A 234 -12.054 13.248 -0.592 1.00 0.00 O ATOM 0 H GLU A 234 -7.407 13.985 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.743 12.514 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -9.188 14.422 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -10.367 13.138 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -9.882 14.386 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -10.943 15.173 -2.403 1.00 0.00 H new ATOM 833 N PRO A 235 -8.857 11.030 -4.560 1.00 0.00 N ATOM 834 CA PRO A 235 -9.154 9.707 -5.160 1.00 0.00 C ATOM 835 C PRO A 235 -8.392 8.582 -4.440 1.00 0.00 C ATOM 836 O PRO A 235 -8.801 7.438 -4.471 1.00 0.00 O ATOM 837 CB PRO A 235 -8.736 9.895 -6.623 1.00 0.00 C ATOM 838 CG PRO A 235 -8.252 11.349 -6.814 1.00 0.00 C ATOM 839 CD PRO A 235 -8.397 12.098 -5.478 1.00 0.00 C ATOM 0 HA PRO A 235 -10.197 9.402 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -7.942 9.195 -6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -9.575 9.685 -7.286 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -7.213 11.361 -7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -8.837 11.843 -7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -7.452 12.534 -5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -9.118 12.913 -5.546 1.00 0.00 H new ATOM 847 N VAL A 236 -7.326 8.895 -3.751 1.00 0.00 N ATOM 848 CA VAL A 236 -6.598 7.840 -2.992 1.00 0.00 C ATOM 849 C VAL A 236 -7.339 7.611 -1.685 1.00 0.00 C ATOM 850 O VAL A 236 -7.678 6.506 -1.338 1.00 0.00 O ATOM 851 CB VAL A 236 -5.197 8.412 -2.717 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.660 7.896 -1.380 1.00 0.00 C ATOM 853 CG2 VAL A 236 -4.240 7.964 -3.812 1.00 0.00 C ATOM 0 H VAL A 236 -6.930 9.833 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.531 6.895 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 236 -5.272 9.499 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.668 8.311 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.331 8.201 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.599 6.808 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -3.247 8.370 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -4.190 6.875 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.596 8.326 -4.777 1.00 0.00 H new ATOM 863 N LYS A 237 -7.597 8.667 -0.968 1.00 0.00 N ATOM 864 CA LYS A 237 -8.331 8.525 0.321 1.00 0.00 C ATOM 865 C LYS A 237 -9.459 7.531 0.136 1.00 0.00 C ATOM 866 O LYS A 237 -9.724 6.685 0.970 1.00 0.00 O ATOM 867 CB LYS A 237 -8.935 9.896 0.594 1.00 0.00 C ATOM 868 CG LYS A 237 -8.461 10.414 1.953 1.00 0.00 C ATOM 869 CD LYS A 237 -8.650 11.931 2.012 1.00 0.00 C ATOM 870 CE LYS A 237 -8.648 12.392 3.471 1.00 0.00 C ATOM 871 NZ LYS A 237 -10.084 12.425 3.865 1.00 0.00 N ATOM 0 H LYS A 237 -7.333 9.620 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 237 -7.682 8.186 1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.645 10.594 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.023 9.833 0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -9.024 9.935 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -7.412 10.161 2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -7.852 12.429 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -9.589 12.210 1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -8.081 11.707 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -8.187 13.375 3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -10.165 12.733 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -10.597 13.091 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -10.494 11.475 3.763 1.00 0.00 H new ATOM 885 N LYS A 238 -10.124 7.639 -0.971 1.00 0.00 N ATOM 886 CA LYS A 238 -11.245 6.715 -1.241 1.00 0.00 C ATOM 887 C LYS A 238 -10.702 5.317 -1.471 1.00 0.00 C ATOM 888 O LYS A 238 -11.039 4.376 -0.780 1.00 0.00 O ATOM 889 CB LYS A 238 -11.894 7.223 -2.523 1.00 0.00 C ATOM 890 CG LYS A 238 -13.388 7.452 -2.290 1.00 0.00 C ATOM 891 CD LYS A 238 -13.662 8.950 -2.142 1.00 0.00 C ATOM 892 CE LYS A 238 -14.297 9.485 -3.429 1.00 0.00 C ATOM 893 NZ LYS A 238 -14.104 10.961 -3.371 1.00 0.00 N ATOM 0 H LYS A 238 -9.939 8.328 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 238 -11.952 6.677 -0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.419 8.152 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.748 6.501 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -13.962 7.048 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.712 6.923 -1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -14.326 9.127 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -12.733 9.481 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -13.819 9.059 -4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -15.355 9.227 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -14.422 11.388 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -14.659 11.353 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -13.097 11.174 -3.225 1.00 0.00 H new ATOM 907 N ILE A 239 -9.863 5.184 -2.453 1.00 0.00 N ATOM 908 CA ILE A 239 -9.286 3.857 -2.756 1.00 0.00 C ATOM 909 C ILE A 239 -8.692 3.253 -1.479 1.00 0.00 C ATOM 910 O ILE A 239 -9.127 2.225 -1.001 1.00 0.00 O ATOM 911 CB ILE A 239 -8.191 4.125 -3.791 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.834 4.486 -5.134 1.00 0.00 C ATOM 913 CG2 ILE A 239 -7.330 2.873 -3.958 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.783 3.365 -5.561 1.00 0.00 C ATOM 0 H ILE A 239 -9.552 5.942 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 239 -10.027 3.152 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.567 4.953 -3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -9.379 5.426 -5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -8.063 4.633 -5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.550 3.064 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.872 2.616 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.953 2.045 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -10.241 3.620 -6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -9.224 2.435 -5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -10.561 3.240 -4.808 1.00 0.00 H new ATOM 926 N MET A 240 -7.706 3.895 -0.919 1.00 0.00 N ATOM 927 CA MET A 240 -7.084 3.375 0.333 1.00 0.00 C ATOM 928 C MET A 240 -8.170 2.930 1.330 1.00 0.00 C ATOM 929 O MET A 240 -7.980 2.005 2.093 1.00 0.00 O ATOM 930 CB MET A 240 -6.264 4.558 0.882 1.00 0.00 C ATOM 931 CG MET A 240 -7.103 5.399 1.850 1.00 0.00 C ATOM 932 SD MET A 240 -7.066 4.647 3.496 1.00 0.00 S ATOM 933 CE MET A 240 -5.615 5.530 4.119 1.00 0.00 C ATOM 0 H MET A 240 -7.301 4.761 -1.275 1.00 0.00 H new ATOM 0 HA MET A 240 -6.459 2.499 0.159 1.00 0.00 H new ATOM 0 HB2 MET A 240 -5.376 4.185 1.393 1.00 0.00 H new ATOM 0 HB3 MET A 240 -5.919 5.181 0.057 1.00 0.00 H new ATOM 0 HG2 MET A 240 -6.714 6.416 1.895 1.00 0.00 H new ATOM 0 HG3 MET A 240 -8.131 5.466 1.493 1.00 0.00 H new ATOM 0 HE1 MET A 240 -5.407 5.213 5.141 1.00 0.00 H new ATOM 0 HE2 MET A 240 -4.755 5.307 3.488 1.00 0.00 H new ATOM 0 HE3 MET A 240 -5.808 6.603 4.104 1.00 0.00 H new ATOM 943 N GLU A 241 -9.298 3.593 1.339 1.00 0.00 N ATOM 944 CA GLU A 241 -10.380 3.214 2.298 1.00 0.00 C ATOM 945 C GLU A 241 -11.019 1.873 1.912 1.00 0.00 C ATOM 946 O GLU A 241 -11.802 1.316 2.655 1.00 0.00 O ATOM 947 CB GLU A 241 -11.404 4.344 2.204 1.00 0.00 C ATOM 948 CG GLU A 241 -11.578 4.986 3.582 1.00 0.00 C ATOM 949 CD GLU A 241 -12.414 6.260 3.453 1.00 0.00 C ATOM 950 OE1 GLU A 241 -11.900 7.229 2.918 1.00 0.00 O ATOM 951 OE2 GLU A 241 -13.552 6.246 3.891 1.00 0.00 O ATOM 0 H GLU A 241 -9.517 4.378 0.726 1.00 0.00 H new ATOM 0 HA GLU A 241 -9.996 3.087 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.073 5.090 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -12.358 3.956 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -12.065 4.287 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -10.604 5.220 4.011 1.00 0.00 H new ATOM 958 N LYS A 242 -10.687 1.343 0.766 1.00 0.00 N ATOM 959 CA LYS A 242 -11.271 0.033 0.351 1.00 0.00 C ATOM 960 C LYS A 242 -10.147 -0.889 -0.120 1.00 0.00 C ATOM 961 O LYS A 242 -10.221 -1.497 -1.166 1.00 0.00 O ATOM 962 CB LYS A 242 -12.229 0.359 -0.799 1.00 0.00 C ATOM 963 CG LYS A 242 -13.650 -0.056 -0.414 1.00 0.00 C ATOM 964 CD LYS A 242 -14.323 1.079 0.359 1.00 0.00 C ATOM 965 CE LYS A 242 -15.474 0.516 1.195 1.00 0.00 C ATOM 966 NZ LYS A 242 -15.340 1.178 2.522 1.00 0.00 N ATOM 0 H LYS A 242 -10.037 1.759 0.099 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.792 -0.473 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -12.198 1.426 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.919 -0.164 -1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -14.226 -0.292 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -13.624 -0.959 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -13.598 1.573 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -14.698 1.833 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -16.439 0.737 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -15.404 -0.568 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -16.095 0.844 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -14.414 0.945 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -15.417 2.209 2.405 1.00 0.00 H new ATOM 980 N LYS A 243 -9.104 -0.964 0.660 1.00 0.00 N ATOM 981 CA LYS A 243 -7.914 -1.812 0.320 1.00 0.00 C ATOM 982 C LYS A 243 -8.270 -3.025 -0.554 1.00 0.00 C ATOM 983 O LYS A 243 -7.477 -3.452 -1.369 1.00 0.00 O ATOM 984 CB LYS A 243 -7.383 -2.283 1.674 1.00 0.00 C ATOM 985 CG LYS A 243 -6.073 -1.560 1.990 1.00 0.00 C ATOM 986 CD LYS A 243 -4.915 -2.561 1.965 1.00 0.00 C ATOM 987 CE LYS A 243 -4.645 -3.066 3.385 1.00 0.00 C ATOM 988 NZ LYS A 243 -3.543 -2.204 3.902 1.00 0.00 N ATOM 0 H LYS A 243 -9.020 -0.461 1.543 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.189 -1.243 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -8.118 -2.083 2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -7.221 -3.361 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -5.898 -0.768 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -6.135 -1.085 2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -5.158 -3.398 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -4.020 -2.088 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -5.535 -2.984 4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -4.355 -4.117 3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -3.338 -2.458 4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -2.690 -2.346 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -3.831 -1.206 3.854 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.425 -3.604 -0.389 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.764 -4.800 -1.216 1.00 0.00 C ATOM 1004 C TYR A 244 -10.894 -4.464 -2.204 1.00 0.00 C ATOM 1005 O TYR A 244 -12.051 -4.731 -1.947 1.00 0.00 O ATOM 1006 CB TYR A 244 -10.222 -5.844 -0.194 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.811 -7.228 -0.641 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -8.504 -7.456 -1.085 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.724 -8.290 -0.585 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -8.108 -8.742 -1.474 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -10.329 -9.575 -0.978 1.00 0.00 C ATOM 1012 CZ TYR A 244 -9.021 -9.802 -1.420 1.00 0.00 C ATOM 1013 OH TYR A 244 -8.631 -11.069 -1.803 1.00 0.00 O ATOM 0 H TYR A 244 -10.142 -3.308 0.273 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.926 -5.151 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.787 -5.625 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -11.305 -5.798 -0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.799 -6.639 -1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.732 -8.117 -0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -7.098 -8.916 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -11.035 -10.392 -0.940 1.00 0.00 H new ATOM 0 HH TYR A 244 -9.385 -11.687 -1.704 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.570 -3.879 -3.335 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.635 -3.529 -4.331 1.00 0.00 C ATOM 1025 C HIS A 245 -11.817 -4.657 -5.354 1.00 0.00 C ATOM 1026 O HIS A 245 -11.646 -5.822 -5.058 1.00 0.00 O ATOM 1027 CB HIS A 245 -11.142 -2.276 -5.065 1.00 0.00 C ATOM 1028 CG HIS A 245 -10.454 -1.324 -4.128 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -9.229 -1.360 -3.514 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -11.019 -0.111 -3.771 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -9.030 -0.188 -2.793 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -10.139 0.529 -2.982 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.620 -3.630 -3.610 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.589 -3.370 -3.828 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -10.455 -2.566 -5.860 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -11.986 -1.775 -5.539 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -11.990 0.254 -4.072 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.165 0.083 -2.207 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -10.300 1.451 -2.577 1.00 0.00 H new ATOM 1040 N ASN A 246 -12.152 -4.294 -6.568 1.00 0.00 N ATOM 1041 CA ASN A 246 -12.339 -5.300 -7.654 1.00 0.00 C ATOM 1042 C ASN A 246 -11.840 -4.699 -8.972 1.00 0.00 C ATOM 1043 O ASN A 246 -12.318 -3.672 -9.412 1.00 0.00 O ATOM 1044 CB ASN A 246 -13.845 -5.555 -7.712 1.00 0.00 C ATOM 1045 CG ASN A 246 -14.107 -7.062 -7.757 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -13.882 -7.700 -8.767 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -14.573 -7.662 -6.697 1.00 0.00 N ATOM 0 H ASN A 246 -12.306 -3.327 -6.854 1.00 0.00 H new ATOM 0 HA ASN A 246 -11.790 -6.225 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -14.332 -5.116 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -14.272 -5.075 -8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -14.749 -8.667 -6.715 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -14.762 -7.127 -5.850 1.00 0.00 H new ATOM 1054 N VAL A 247 -10.871 -5.311 -9.598 1.00 0.00 N ATOM 1055 CA VAL A 247 -10.343 -4.741 -10.871 1.00 0.00 C ATOM 1056 C VAL A 247 -10.692 -5.650 -12.056 1.00 0.00 C ATOM 1057 O VAL A 247 -10.187 -6.746 -12.182 1.00 0.00 O ATOM 1058 CB VAL A 247 -8.824 -4.662 -10.663 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -8.111 -4.629 -12.018 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -8.481 -3.389 -9.879 1.00 0.00 C ATOM 0 H VAL A 247 -10.425 -6.174 -9.286 1.00 0.00 H new ATOM 0 HA VAL A 247 -10.774 -3.766 -11.100 1.00 0.00 H new ATOM 0 HB VAL A 247 -8.495 -5.539 -10.105 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -7.034 -4.573 -11.861 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -8.350 -5.534 -12.577 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -8.441 -3.757 -12.582 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -7.403 -3.332 -9.731 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -8.817 -2.516 -10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -8.979 -3.413 -8.910 1.00 0.00 H new ATOM 1070 N GLY A 248 -11.548 -5.189 -12.928 1.00 0.00 N ATOM 1071 CA GLY A 248 -11.930 -6.008 -14.114 1.00 0.00 C ATOM 1072 C GLY A 248 -12.650 -7.281 -13.665 1.00 0.00 C ATOM 1073 O GLY A 248 -13.829 -7.454 -13.903 1.00 0.00 O ATOM 0 H GLY A 248 -12.001 -4.277 -12.869 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -12.577 -5.428 -14.773 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -11.041 -6.267 -14.688 1.00 0.00 H new ATOM 1077 N LEU A 249 -11.951 -8.177 -13.026 1.00 0.00 N ATOM 1078 CA LEU A 249 -12.600 -9.441 -12.576 1.00 0.00 C ATOM 1079 C LEU A 249 -11.862 -10.021 -11.366 1.00 0.00 C ATOM 1080 O LEU A 249 -11.935 -11.203 -11.094 1.00 0.00 O ATOM 1081 CB LEU A 249 -12.485 -10.386 -13.771 1.00 0.00 C ATOM 1082 CG LEU A 249 -11.055 -10.346 -14.315 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -10.414 -11.727 -14.177 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -11.081 -9.943 -15.792 1.00 0.00 C ATOM 0 H LEU A 249 -10.961 -8.090 -12.796 1.00 0.00 H new ATOM 0 HA LEU A 249 -13.634 -9.286 -12.270 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -12.744 -11.402 -13.472 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -13.190 -10.094 -14.549 1.00 0.00 H new ATOM 0 HG LEU A 249 -10.474 -9.618 -13.748 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -9.396 -11.696 -14.565 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -10.393 -12.015 -13.126 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -10.995 -12.456 -14.742 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -10.063 -9.915 -16.179 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -11.664 -10.670 -16.357 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -11.535 -8.957 -15.892 1.00 0.00 H new ATOM 1096 N SER A 250 -11.152 -9.205 -10.636 1.00 0.00 N ATOM 1097 CA SER A 250 -10.416 -9.723 -9.451 1.00 0.00 C ATOM 1098 C SER A 250 -10.399 -8.674 -8.343 1.00 0.00 C ATOM 1099 O SER A 250 -10.373 -7.486 -8.600 1.00 0.00 O ATOM 1100 CB SER A 250 -8.997 -9.991 -9.945 1.00 0.00 C ATOM 1101 OG SER A 250 -8.393 -10.983 -9.126 1.00 0.00 O ATOM 0 H SER A 250 -11.051 -8.205 -10.809 1.00 0.00 H new ATOM 0 HA SER A 250 -10.881 -10.619 -9.040 1.00 0.00 H new ATOM 0 HB2 SER A 250 -9.018 -10.323 -10.983 1.00 0.00 H new ATOM 0 HB3 SER A 250 -8.410 -9.073 -9.916 1.00 0.00 H new ATOM 0 HG SER A 250 -7.482 -11.158 -9.442 1.00 0.00 H new ATOM 1107 N LYS A 251 -10.402 -9.100 -7.114 1.00 0.00 N ATOM 1108 CA LYS A 251 -10.374 -8.119 -5.998 1.00 0.00 C ATOM 1109 C LYS A 251 -8.959 -8.035 -5.418 1.00 0.00 C ATOM 1110 O LYS A 251 -8.755 -8.118 -4.223 1.00 0.00 O ATOM 1111 CB LYS A 251 -11.383 -8.643 -4.970 1.00 0.00 C ATOM 1112 CG LYS A 251 -10.754 -9.757 -4.134 1.00 0.00 C ATOM 1113 CD LYS A 251 -11.852 -10.655 -3.553 1.00 0.00 C ATOM 1114 CE LYS A 251 -12.766 -11.153 -4.675 1.00 0.00 C ATOM 1115 NZ LYS A 251 -13.004 -12.591 -4.364 1.00 0.00 N ATOM 0 H LYS A 251 -10.423 -10.081 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 251 -10.637 -7.110 -6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -11.707 -7.830 -4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -12.271 -9.018 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -10.077 -10.348 -4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -10.159 -9.327 -3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -11.404 -11.502 -3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -12.434 -10.102 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -13.701 -10.594 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -12.296 -11.032 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -13.624 -13.005 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -12.096 -13.099 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -13.458 -12.674 -3.432 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.983 -7.851 -6.267 1.00 0.00 N ATOM 1130 CA CYS A 252 -6.574 -7.737 -5.785 1.00 0.00 C ATOM 1131 C CYS A 252 -6.531 -6.834 -4.555 1.00 0.00 C ATOM 1132 O CYS A 252 -7.497 -6.171 -4.235 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.812 -7.102 -6.950 1.00 0.00 C ATOM 1134 SG CYS A 252 -6.036 -8.112 -8.437 1.00 0.00 S ATOM 0 H CYS A 252 -8.101 -7.774 -7.277 1.00 0.00 H new ATOM 0 HA CYS A 252 -6.144 -8.696 -5.498 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -6.174 -6.089 -7.127 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -4.752 -7.024 -6.706 1.00 0.00 H new ATOM 0 HG CYS A 252 -5.391 -7.573 -9.429 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.424 -6.771 -3.873 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.376 -5.866 -2.688 1.00 0.00 C ATOM 1142 C GLU A 253 -4.976 -4.491 -3.153 1.00 0.00 C ATOM 1143 O GLU A 253 -4.526 -4.316 -4.261 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.351 -6.412 -1.689 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.249 -7.200 -2.400 1.00 0.00 C ATOM 1146 CD GLU A 253 -2.045 -7.354 -1.468 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -1.400 -6.355 -1.196 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -1.788 -8.469 -1.045 1.00 0.00 O ATOM 0 H GLU A 253 -4.570 -7.291 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.350 -5.812 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -3.909 -5.587 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -4.852 -7.055 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.622 -8.181 -2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.951 -6.685 -3.313 1.00 0.00 H new ATOM 1155 N ILE A 254 -5.163 -3.507 -2.339 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.814 -2.135 -2.793 1.00 0.00 C ATOM 1157 C ILE A 254 -4.204 -1.291 -1.672 1.00 0.00 C ATOM 1158 O ILE A 254 -4.898 -0.691 -0.875 1.00 0.00 O ATOM 1159 CB ILE A 254 -6.141 -1.536 -3.282 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -6.383 -1.965 -4.735 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -6.091 -0.007 -3.214 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.975 -3.376 -4.771 1.00 0.00 C ATOM 0 H ILE A 254 -5.536 -3.582 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 254 -4.054 -2.155 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.948 -1.895 -2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -7.061 -1.264 -5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -5.446 -1.940 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -7.038 0.404 -3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -5.918 0.306 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -5.282 0.359 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -7.144 -3.673 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.281 -4.074 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.922 -3.387 -4.231 1.00 0.00 H new ATOM 1174 N LYS A 255 -2.906 -1.198 -1.653 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.223 -0.348 -0.649 1.00 0.00 C ATOM 1176 C LYS A 255 -1.900 0.969 -1.338 1.00 0.00 C ATOM 1177 O LYS A 255 -1.058 1.017 -2.207 1.00 0.00 O ATOM 1178 CB LYS A 255 -0.926 -1.075 -0.316 1.00 0.00 C ATOM 1179 CG LYS A 255 -0.974 -1.633 1.094 1.00 0.00 C ATOM 1180 CD LYS A 255 -0.584 -0.532 2.079 1.00 0.00 C ATOM 1181 CE LYS A 255 -1.815 0.314 2.416 1.00 0.00 C ATOM 1182 NZ LYS A 255 -1.798 0.448 3.900 1.00 0.00 N ATOM 0 H LYS A 255 -2.283 -1.682 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 255 -2.816 -0.166 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -0.763 -1.884 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.084 -0.390 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -1.975 -2.002 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -0.294 -2.480 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -0.172 -0.972 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 255 0.195 0.097 1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -1.768 1.289 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -2.731 -0.168 2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -2.680 0.898 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -1.714 -0.494 4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -0.988 1.034 4.186 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.575 2.027 -1.008 1.00 0.00 N ATOM 1197 CA VAL A 256 -2.291 3.303 -1.715 1.00 0.00 C ATOM 1198 C VAL A 256 -0.782 3.520 -1.867 1.00 0.00 C ATOM 1199 O VAL A 256 0.022 2.844 -1.256 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.912 4.399 -0.869 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -2.566 4.181 0.605 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -2.367 5.745 -1.338 1.00 0.00 C ATOM 0 H VAL A 256 -3.300 2.067 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.706 3.297 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.996 4.380 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -3.016 4.972 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.952 3.215 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -1.484 4.200 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -2.805 6.543 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -1.283 5.758 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -2.624 5.896 -2.387 1.00 0.00 H new ATOM 1212 N ALA A 257 -0.397 4.455 -2.691 1.00 0.00 N ATOM 1213 CA ALA A 257 1.051 4.719 -2.906 1.00 0.00 C ATOM 1214 C ALA A 257 1.291 6.216 -3.128 1.00 0.00 C ATOM 1215 O ALA A 257 0.372 6.969 -3.384 1.00 0.00 O ATOM 1216 CB ALA A 257 1.398 3.928 -4.168 1.00 0.00 C ATOM 0 H ALA A 257 -1.028 5.050 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 257 1.662 4.427 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.453 4.064 -4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.197 2.870 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 257 0.791 4.285 -5.000 1.00 0.00 H new