USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 444 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 198 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.1) USER MOD Single : A 214 SER OG : rot 24:sc= 0.0278 USER MOD Single : A 215 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.14) USER MOD Single : A 221 LYS NZ :NH3+ -140:sc= 1.24 (180deg=1.04) USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ -142:sc= -0.0497 (180deg=-1.41!) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 250 GLN : amide:sc= 0.145 X(o=0.14,f=-0.037) USER MOD Single : A 251 ASN : amide:sc= -1.86 K(o=-1.9,f=-5.1!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -38.154 12.159 17.382 1.00 0.00 N ATOM 124 CA ASP A 195 -37.203 12.537 16.366 1.00 0.00 C ATOM 125 C ASP A 195 -36.908 13.999 16.628 1.00 0.00 C ATOM 126 O ASP A 195 -37.713 14.903 16.385 1.00 0.00 O ATOM 127 CB ASP A 195 -37.777 12.355 14.968 1.00 0.00 C ATOM 128 CG ASP A 195 -36.733 12.089 13.882 1.00 0.00 C ATOM 129 OD1 ASP A 195 -35.670 11.486 14.151 1.00 0.00 O ATOM 130 OD2 ASP A 195 -37.005 12.472 12.716 1.00 0.00 O ATOM 0 HA ASP A 195 -36.308 11.916 16.409 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -38.484 11.526 14.985 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -38.340 13.249 14.701 1.00 0.00 H new ATOM 135 N ALA A 196 -35.775 14.176 17.260 1.00 0.00 N ATOM 136 CA ALA A 196 -35.328 15.360 17.942 1.00 0.00 C ATOM 137 C ALA A 196 -36.424 15.975 18.818 1.00 0.00 C ATOM 138 O ALA A 196 -36.863 17.104 18.575 1.00 0.00 O ATOM 139 CB ALA A 196 -34.632 16.338 16.988 1.00 0.00 C ATOM 0 H ALA A 196 -35.083 13.428 17.314 1.00 0.00 H new ATOM 0 HA ALA A 196 -34.554 15.068 18.652 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -34.309 17.219 17.542 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -33.765 15.854 16.539 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -35.327 16.637 16.203 1.00 0.00 H new ATOM 145 N ALA A 197 -36.888 15.215 19.812 1.00 0.00 N ATOM 146 CA ALA A 197 -38.040 15.517 20.654 1.00 0.00 C ATOM 147 C ALA A 197 -37.716 15.180 22.117 1.00 0.00 C ATOM 148 O ALA A 197 -36.551 15.126 22.481 1.00 0.00 O ATOM 149 CB ALA A 197 -39.251 14.746 20.109 1.00 0.00 C ATOM 0 H ALA A 197 -36.447 14.330 20.061 1.00 0.00 H new ATOM 0 HA ALA A 197 -38.283 16.579 20.631 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -40.125 14.958 20.725 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -39.447 15.055 19.082 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -39.042 13.677 20.132 1.00 0.00 H new ATOM 155 N LYS A 198 -38.744 14.954 22.952 1.00 0.00 N ATOM 156 CA LYS A 198 -38.660 14.554 24.364 1.00 0.00 C ATOM 157 C LYS A 198 -37.475 15.204 25.119 1.00 0.00 C ATOM 158 O LYS A 198 -36.538 14.493 25.486 1.00 0.00 O ATOM 159 CB LYS A 198 -38.705 13.011 24.486 1.00 0.00 C ATOM 160 CG LYS A 198 -37.614 12.237 23.729 1.00 0.00 C ATOM 161 CD LYS A 198 -37.827 10.729 23.866 1.00 0.00 C ATOM 162 CE LYS A 198 -36.543 9.982 23.463 1.00 0.00 C ATOM 163 NZ LYS A 198 -36.545 8.573 23.908 1.00 0.00 N ATOM 0 H LYS A 198 -39.710 15.052 22.640 1.00 0.00 H new ATOM 0 HA LYS A 198 -39.539 14.948 24.874 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -38.640 12.749 25.542 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -39.677 12.668 24.131 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -37.627 12.517 22.676 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -36.633 12.508 24.119 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -38.095 10.482 24.893 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -38.657 10.411 23.235 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -36.431 10.017 22.379 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -35.680 10.493 23.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -35.581 8.188 23.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -36.875 8.520 24.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -37.180 8.018 23.300 1.00 0.00 H new ATOM 177 N PRO A 199 -37.508 16.527 25.380 1.00 0.00 N ATOM 178 CA PRO A 199 -36.389 17.284 25.944 1.00 0.00 C ATOM 179 C PRO A 199 -36.187 17.022 27.446 1.00 0.00 C ATOM 180 O PRO A 199 -36.353 17.905 28.282 1.00 0.00 O ATOM 181 CB PRO A 199 -36.678 18.748 25.593 1.00 0.00 C ATOM 182 CG PRO A 199 -38.202 18.792 25.641 1.00 0.00 C ATOM 183 CD PRO A 199 -38.590 17.441 25.041 1.00 0.00 C ATOM 0 HA PRO A 199 -35.433 16.973 25.522 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -36.227 19.436 26.309 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -36.293 19.015 24.609 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -38.573 18.905 26.660 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -38.603 19.624 25.061 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -39.539 17.091 25.448 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -38.715 17.515 23.961 1.00 0.00 H new ATOM 191 N GLU A 200 -35.820 15.786 27.757 1.00 0.00 N ATOM 192 CA GLU A 200 -35.516 15.194 29.048 1.00 0.00 C ATOM 193 C GLU A 200 -34.799 13.884 28.709 1.00 0.00 C ATOM 194 O GLU A 200 -33.676 13.632 29.136 1.00 0.00 O ATOM 195 CB GLU A 200 -36.828 14.920 29.814 1.00 0.00 C ATOM 196 CG GLU A 200 -36.603 14.102 31.101 1.00 0.00 C ATOM 197 CD GLU A 200 -37.912 13.632 31.748 1.00 0.00 C ATOM 198 OE1 GLU A 200 -38.811 13.188 30.997 1.00 0.00 O ATOM 199 OE2 GLU A 200 -37.977 13.673 32.996 1.00 0.00 O ATOM 0 H GLU A 200 -35.717 15.092 27.017 1.00 0.00 H new ATOM 0 HA GLU A 200 -34.907 15.839 29.681 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -37.301 15.869 30.069 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -37.519 14.384 29.163 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -35.986 13.234 30.870 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -36.047 14.707 31.817 1.00 0.00 H new ATOM 206 N ASP A 201 -35.449 13.070 27.874 1.00 0.00 N ATOM 207 CA ASP A 201 -35.120 11.664 27.656 1.00 0.00 C ATOM 208 C ASP A 201 -34.350 11.426 26.371 1.00 0.00 C ATOM 209 O ASP A 201 -33.705 10.388 26.218 1.00 0.00 O ATOM 210 CB ASP A 201 -36.417 10.868 27.602 1.00 0.00 C ATOM 211 CG ASP A 201 -36.223 9.360 27.448 1.00 0.00 C ATOM 212 OD1 ASP A 201 -35.364 8.764 28.134 1.00 0.00 O ATOM 213 OD2 ASP A 201 -36.893 8.777 26.566 1.00 0.00 O ATOM 0 H ASP A 201 -36.243 13.383 27.315 1.00 0.00 H new ATOM 0 HA ASP A 201 -34.481 11.346 28.480 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -36.985 11.058 28.513 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -37.019 11.232 26.769 1.00 0.00 H new ATOM 218 N TRP A 202 -34.415 12.361 25.415 1.00 0.00 N ATOM 219 CA TRP A 202 -33.606 12.207 24.221 1.00 0.00 C ATOM 220 C TRP A 202 -32.129 12.292 24.566 1.00 0.00 C ATOM 221 O TRP A 202 -31.324 11.576 23.978 1.00 0.00 O ATOM 222 CB TRP A 202 -33.960 13.182 23.089 1.00 0.00 C ATOM 223 CG TRP A 202 -33.628 14.636 23.274 1.00 0.00 C ATOM 224 CD1 TRP A 202 -33.715 15.341 24.424 1.00 0.00 C ATOM 225 CD2 TRP A 202 -33.208 15.599 22.256 1.00 0.00 C ATOM 226 NE1 TRP A 202 -33.317 16.637 24.206 1.00 0.00 N ATOM 227 CE2 TRP A 202 -33.043 16.872 22.876 1.00 0.00 C ATOM 228 CE3 TRP A 202 -32.958 15.528 20.869 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -32.661 18.015 22.159 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -32.569 16.665 20.136 1.00 0.00 C ATOM 231 CH2 TRP A 202 -32.428 17.909 20.777 1.00 0.00 C ATOM 0 H TRP A 202 -34.998 13.197 25.448 1.00 0.00 H new ATOM 0 HA TRP A 202 -33.835 11.215 23.831 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -33.458 12.838 22.185 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -35.032 13.106 22.907 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -34.048 14.945 25.372 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -33.234 17.341 24.940 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -33.067 14.582 20.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -32.547 18.964 22.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -32.378 16.582 19.076 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -32.141 18.781 20.208 1.00 0.00 H new ATOM 242 N ASP A 203 -31.781 13.180 25.502 1.00 0.00 N ATOM 243 CA ASP A 203 -30.438 13.468 25.987 1.00 0.00 C ATOM 244 C ASP A 203 -29.460 13.719 24.834 1.00 0.00 C ATOM 245 O ASP A 203 -28.255 13.519 24.963 1.00 0.00 O ATOM 246 CB ASP A 203 -30.046 12.368 26.981 1.00 0.00 C ATOM 247 CG ASP A 203 -28.782 12.703 27.772 1.00 0.00 C ATOM 248 OD1 ASP A 203 -28.706 13.798 28.381 1.00 0.00 O ATOM 249 OD2 ASP A 203 -27.901 11.823 27.879 1.00 0.00 O ATOM 0 H ASP A 203 -32.483 13.754 25.970 1.00 0.00 H new ATOM 0 HA ASP A 203 -30.403 14.410 26.535 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -30.870 12.203 27.675 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -29.893 11.434 26.440 1.00 0.00 H new ATOM 254 N GLU A 204 -30.008 14.112 23.672 1.00 0.00 N ATOM 255 CA GLU A 204 -29.347 14.280 22.381 1.00 0.00 C ATOM 256 C GLU A 204 -28.563 13.040 21.931 1.00 0.00 C ATOM 257 O GLU A 204 -27.751 13.109 21.009 1.00 0.00 O ATOM 258 CB GLU A 204 -28.519 15.562 22.421 1.00 0.00 C ATOM 259 CG GLU A 204 -29.444 16.784 22.471 1.00 0.00 C ATOM 260 CD GLU A 204 -28.698 18.077 22.174 1.00 0.00 C ATOM 261 OE1 GLU A 204 -28.284 18.257 21.005 1.00 0.00 O ATOM 262 OE2 GLU A 204 -28.561 18.935 23.079 1.00 0.00 O ATOM 0 H GLU A 204 -31.001 14.336 23.614 1.00 0.00 H new ATOM 0 HA GLU A 204 -30.104 14.385 21.603 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -27.865 15.555 23.293 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -27.877 15.617 21.542 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -30.251 16.657 21.749 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -29.905 16.850 23.457 1.00 0.00 H new ATOM 269 N ARG A 205 -28.849 11.886 22.539 1.00 0.00 N ATOM 270 CA ARG A 205 -28.230 10.596 22.260 1.00 0.00 C ATOM 271 C ARG A 205 -29.232 9.492 21.984 1.00 0.00 C ATOM 272 O ARG A 205 -28.851 8.346 21.770 1.00 0.00 O ATOM 273 CB ARG A 205 -27.248 10.230 23.384 1.00 0.00 C ATOM 274 CG ARG A 205 -27.894 10.165 24.776 1.00 0.00 C ATOM 275 CD ARG A 205 -28.628 8.871 25.135 1.00 0.00 C ATOM 276 NE ARG A 205 -27.708 7.743 25.368 1.00 0.00 N ATOM 277 CZ ARG A 205 -27.729 6.939 26.435 1.00 0.00 C ATOM 278 NH1 ARG A 205 -28.737 6.975 27.294 1.00 0.00 N ATOM 279 NH2 ARG A 205 -26.744 6.086 26.676 1.00 0.00 N ATOM 0 H ARG A 205 -29.553 11.827 23.274 1.00 0.00 H new ATOM 0 HA ARG A 205 -27.670 10.698 21.331 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -26.796 9.264 23.158 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -26.442 10.963 23.402 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -27.115 10.332 25.520 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -28.600 10.991 24.862 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -29.230 9.035 26.029 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -29.317 8.613 24.330 1.00 0.00 H new ATOM 0 HE ARG A 205 -26.999 7.562 24.658 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -29.511 7.623 27.145 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -28.739 6.355 28.104 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -25.948 6.033 26.040 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -26.782 5.482 27.497 1.00 0.00 H new ATOM 293 N ALA A 206 -30.513 9.837 21.946 1.00 0.00 N ATOM 294 CA ALA A 206 -31.592 8.942 21.525 1.00 0.00 C ATOM 295 C ALA A 206 -31.534 8.715 20.010 1.00 0.00 C ATOM 296 O ALA A 206 -32.389 9.185 19.256 1.00 0.00 O ATOM 297 CB ALA A 206 -32.954 9.469 21.985 1.00 0.00 C ATOM 0 H ALA A 206 -30.841 10.765 22.212 1.00 0.00 H new ATOM 0 HA ALA A 206 -31.455 7.973 22.005 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -33.738 8.785 21.659 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -32.967 9.544 23.072 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -33.128 10.454 21.552 1.00 0.00 H new ATOM 408 N SER A 214 -22.924 2.629 10.615 1.00 0.00 N ATOM 409 CA SER A 214 -22.740 3.143 9.264 1.00 0.00 C ATOM 410 C SER A 214 -21.288 2.970 8.813 1.00 0.00 C ATOM 411 O SER A 214 -20.628 3.940 8.424 1.00 0.00 O ATOM 412 CB SER A 214 -23.210 4.587 9.113 1.00 0.00 C ATOM 413 OG SER A 214 -24.568 4.766 9.474 1.00 0.00 O ATOM 0 HA SER A 214 -23.375 2.550 8.606 1.00 0.00 H new ATOM 0 HB2 SER A 214 -22.587 5.233 9.731 1.00 0.00 H new ATOM 0 HB3 SER A 214 -23.069 4.903 8.079 1.00 0.00 H new ATOM 0 HG SER A 214 -24.839 4.055 10.092 1.00 0.00 H new ATOM 419 N LYS A 215 -20.866 1.708 8.816 1.00 0.00 N ATOM 420 CA LYS A 215 -19.616 1.078 8.423 1.00 0.00 C ATOM 421 C LYS A 215 -18.674 0.858 9.618 1.00 0.00 C ATOM 422 O LYS A 215 -18.528 1.754 10.453 1.00 0.00 O ATOM 423 CB LYS A 215 -18.920 1.811 7.270 1.00 0.00 C ATOM 424 CG LYS A 215 -17.714 2.663 7.664 1.00 0.00 C ATOM 425 CD LYS A 215 -17.254 3.492 6.469 1.00 0.00 C ATOM 426 CE LYS A 215 -18.012 4.799 6.289 1.00 0.00 C ATOM 427 NZ LYS A 215 -17.297 5.922 6.934 1.00 0.00 N ATOM 0 H LYS A 215 -21.507 0.989 9.152 1.00 0.00 H new ATOM 0 HA LYS A 215 -19.882 0.091 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -18.597 1.073 6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -19.650 2.452 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -17.976 3.319 8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -16.902 2.023 8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -16.193 3.713 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -17.361 2.895 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -18.138 5.006 5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -19.010 4.706 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -17.780 6.815 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -17.288 5.782 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -16.320 5.960 6.581 1.00 0.00 H new ATOM 441 N PRO A 216 -17.963 -0.281 9.632 1.00 0.00 N ATOM 442 CA PRO A 216 -16.914 -0.583 10.585 1.00 0.00 C ATOM 443 C PRO A 216 -15.597 0.038 10.120 1.00 0.00 C ATOM 444 O PRO A 216 -15.411 0.336 8.936 1.00 0.00 O ATOM 445 CB PRO A 216 -16.829 -2.111 10.572 1.00 0.00 C ATOM 446 CG PRO A 216 -17.163 -2.476 9.125 1.00 0.00 C ATOM 447 CD PRO A 216 -18.123 -1.371 8.691 1.00 0.00 C ATOM 0 HA PRO A 216 -17.112 -0.189 11.582 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -15.836 -2.460 10.855 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -17.535 -2.558 11.272 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -16.270 -2.500 8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -17.626 -3.460 9.056 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -17.899 -1.041 7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -19.152 -1.732 8.689 1.00 0.00 H new ATOM 455 N GLU A 217 -14.616 0.126 11.016 1.00 0.00 N ATOM 456 CA GLU A 217 -13.427 0.943 10.788 1.00 0.00 C ATOM 457 C GLU A 217 -12.454 0.373 9.751 1.00 0.00 C ATOM 458 O GLU A 217 -11.511 1.061 9.358 1.00 0.00 O ATOM 459 CB GLU A 217 -12.728 1.215 12.130 1.00 0.00 C ATOM 460 CG GLU A 217 -12.197 -0.066 12.795 1.00 0.00 C ATOM 461 CD GLU A 217 -11.768 0.171 14.243 1.00 0.00 C ATOM 462 OE1 GLU A 217 -12.641 0.541 15.069 1.00 0.00 O ATOM 463 OE2 GLU A 217 -10.570 -0.005 14.553 1.00 0.00 O ATOM 0 H GLU A 217 -14.622 -0.362 11.912 1.00 0.00 H new ATOM 0 HA GLU A 217 -13.770 1.881 10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -11.900 1.906 11.970 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -13.428 1.707 12.806 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -12.969 -0.835 12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -11.350 -0.445 12.224 1.00 0.00 H new ATOM 470 N ASP A 218 -12.709 -0.837 9.253 1.00 0.00 N ATOM 471 CA ASP A 218 -11.941 -1.455 8.165 1.00 0.00 C ATOM 472 C ASP A 218 -12.627 -1.289 6.801 1.00 0.00 C ATOM 473 O ASP A 218 -12.019 -1.563 5.770 1.00 0.00 O ATOM 474 CB ASP A 218 -11.634 -2.932 8.461 1.00 0.00 C ATOM 475 CG ASP A 218 -10.843 -3.593 7.320 1.00 0.00 C ATOM 476 OD1 ASP A 218 -9.643 -3.273 7.136 1.00 0.00 O ATOM 477 OD2 ASP A 218 -11.449 -4.419 6.592 1.00 0.00 O ATOM 0 H ASP A 218 -13.466 -1.427 9.598 1.00 0.00 H new ATOM 0 HA ASP A 218 -10.991 -0.923 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -11.065 -3.006 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -12.568 -3.473 8.616 1.00 0.00 H new ATOM 482 N TRP A 219 -13.873 -0.800 6.741 1.00 0.00 N ATOM 483 CA TRP A 219 -14.435 -0.405 5.451 1.00 0.00 C ATOM 484 C TRP A 219 -13.638 0.774 4.890 1.00 0.00 C ATOM 485 O TRP A 219 -13.378 0.825 3.686 1.00 0.00 O ATOM 486 CB TRP A 219 -15.923 -0.032 5.560 1.00 0.00 C ATOM 487 CG TRP A 219 -16.530 0.488 4.289 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.326 1.715 3.747 1.00 0.00 C ATOM 489 CD2 TRP A 219 -17.434 -0.196 3.376 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.085 1.860 2.609 1.00 0.00 N ATOM 491 CE2 TRP A 219 -17.809 0.728 2.364 1.00 0.00 C ATOM 492 CE3 TRP A 219 -17.988 -1.490 3.293 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.717 0.423 1.361 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -18.864 -1.830 2.244 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.234 -0.878 1.278 1.00 0.00 C ATOM 0 H TRP A 219 -14.490 -0.673 7.543 1.00 0.00 H new ATOM 0 HA TRP A 219 -14.364 -1.259 4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -16.482 -0.911 5.882 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -16.039 0.722 6.338 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -15.665 2.468 4.150 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.104 2.698 2.028 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -17.738 -2.228 4.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -19.022 1.179 0.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -19.256 -2.834 2.181 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -19.910 -1.146 0.480 1.00 0.00 H new ATOM 506 N ASP A 220 -13.329 1.753 5.741 1.00 0.00 N ATOM 507 CA ASP A 220 -12.895 3.101 5.374 1.00 0.00 C ATOM 508 C ASP A 220 -11.410 3.095 4.980 1.00 0.00 C ATOM 509 O ASP A 220 -10.546 3.604 5.696 1.00 0.00 O ATOM 510 CB ASP A 220 -13.219 4.047 6.543 1.00 0.00 C ATOM 511 CG ASP A 220 -13.578 5.439 6.033 1.00 0.00 C ATOM 512 OD1 ASP A 220 -14.783 5.674 5.773 1.00 0.00 O ATOM 513 OD2 ASP A 220 -12.664 6.278 5.891 1.00 0.00 O ATOM 0 H ASP A 220 -13.377 1.621 6.751 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.430 3.462 4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -14.048 3.643 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -12.362 4.111 7.213 1.00 0.00 H new ATOM 518 N LYS A 221 -11.076 2.394 3.891 1.00 0.00 N ATOM 519 CA LYS A 221 -9.698 1.981 3.622 1.00 0.00 C ATOM 520 C LYS A 221 -8.735 3.181 3.528 1.00 0.00 C ATOM 521 O LYS A 221 -9.065 4.171 2.881 1.00 0.00 O ATOM 522 CB LYS A 221 -9.655 1.077 2.378 1.00 0.00 C ATOM 523 CG LYS A 221 -9.122 -0.347 2.612 1.00 0.00 C ATOM 524 CD LYS A 221 -9.838 -1.058 3.768 1.00 0.00 C ATOM 525 CE LYS A 221 -9.716 -2.586 3.735 1.00 0.00 C ATOM 526 NZ LYS A 221 -8.631 -3.111 4.581 1.00 0.00 N ATOM 0 H LYS A 221 -11.746 2.101 3.180 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.341 1.396 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.662 1.006 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.035 1.558 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -9.242 -0.931 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -8.054 -0.302 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.433 -0.692 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -10.894 -0.788 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -10.661 -3.024 4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -9.550 -2.906 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -8.153 -3.892 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -7.945 -2.354 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -9.027 -3.458 5.478 1.00 0.00 H new ATOM 540 N PRO A 222 -7.548 3.104 4.161 1.00 0.00 N ATOM 541 CA PRO A 222 -6.641 4.231 4.348 1.00 0.00 C ATOM 542 C PRO A 222 -6.046 4.646 3.017 1.00 0.00 C ATOM 543 O PRO A 222 -5.191 3.953 2.482 1.00 0.00 O ATOM 544 CB PRO A 222 -5.575 3.753 5.334 1.00 0.00 C ATOM 545 CG PRO A 222 -5.555 2.238 5.122 1.00 0.00 C ATOM 546 CD PRO A 222 -7.009 1.914 4.788 1.00 0.00 C ATOM 0 HA PRO A 222 -7.149 5.112 4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -4.604 4.201 5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -5.832 4.012 6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -4.883 1.953 4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.220 1.711 6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.074 1.056 4.118 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.569 1.659 5.688 1.00 0.00 H new ATOM 554 N GLU A 223 -6.541 5.754 2.477 1.00 0.00 N ATOM 555 CA GLU A 223 -6.735 5.980 1.049 1.00 0.00 C ATOM 556 C GLU A 223 -5.520 5.598 0.203 1.00 0.00 C ATOM 557 O GLU A 223 -5.653 4.817 -0.751 1.00 0.00 O ATOM 558 CB GLU A 223 -7.127 7.441 0.803 1.00 0.00 C ATOM 559 CG GLU A 223 -8.443 7.823 1.491 1.00 0.00 C ATOM 560 CD GLU A 223 -8.293 8.186 2.971 1.00 0.00 C ATOM 561 OE1 GLU A 223 -7.825 9.312 3.249 1.00 0.00 O ATOM 562 OE2 GLU A 223 -8.590 7.372 3.874 1.00 0.00 O ATOM 0 H GLU A 223 -6.830 6.551 3.044 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.542 5.321 0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.331 8.092 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.219 7.613 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -8.884 8.669 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.142 6.992 1.401 1.00 0.00 H new ATOM 569 N HIS A 224 -4.359 6.131 0.587 1.00 0.00 N ATOM 570 CA HIS A 224 -3.056 5.769 0.052 1.00 0.00 C ATOM 571 C HIS A 224 -2.405 4.736 0.973 1.00 0.00 C ATOM 572 O HIS A 224 -2.014 5.054 2.102 1.00 0.00 O ATOM 573 CB HIS A 224 -2.178 7.014 -0.140 1.00 0.00 C ATOM 574 CG HIS A 224 -2.776 7.972 -1.133 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.428 9.148 -0.840 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.801 7.804 -2.490 1.00 0.00 C ATOM 577 CE1 HIS A 224 -3.855 9.668 -2.004 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.507 8.880 -3.037 1.00 0.00 N ATOM 0 H HIS A 224 -4.304 6.853 1.306 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.174 5.320 -0.934 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.047 7.518 0.818 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.187 6.711 -0.479 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -2.356 6.988 -3.040 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -4.404 10.594 -2.097 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.716 9.036 -4.023 1.00 0.00 H new ATOM 586 N ILE A 225 -2.235 3.516 0.468 1.00 0.00 N ATOM 587 CA ILE A 225 -1.593 2.387 1.140 1.00 0.00 C ATOM 588 C ILE A 225 -0.174 2.220 0.607 1.00 0.00 C ATOM 589 O ILE A 225 0.083 2.546 -0.551 1.00 0.00 O ATOM 590 CB ILE A 225 -2.382 1.078 0.906 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.677 0.823 -0.596 1.00 0.00 C ATOM 592 CG2 ILE A 225 -3.658 1.137 1.743 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.293 -0.533 -0.947 1.00 0.00 C ATOM 0 H ILE A 225 -2.558 3.275 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.572 2.592 2.210 1.00 0.00 H new ATOM 0 HB ILE A 225 -1.775 0.229 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.348 1.605 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.744 0.928 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.233 0.223 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.398 1.235 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.255 1.995 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.452 -0.592 -2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.619 -1.331 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.247 -0.643 -0.432 1.00 0.00 H new ATOM 605 N PRO A 226 0.768 1.671 1.383 1.00 0.00 N ATOM 606 CA PRO A 226 2.066 1.343 0.832 1.00 0.00 C ATOM 607 C PRO A 226 1.876 0.127 -0.085 1.00 0.00 C ATOM 608 O PRO A 226 1.009 -0.722 0.164 1.00 0.00 O ATOM 609 CB PRO A 226 2.946 1.099 2.053 1.00 0.00 C ATOM 610 CG PRO A 226 1.976 0.502 3.077 1.00 0.00 C ATOM 611 CD PRO A 226 0.602 1.068 2.694 1.00 0.00 C ATOM 0 HA PRO A 226 2.534 2.110 0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.764 0.415 1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.395 2.024 2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.980 -0.587 3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 226 2.251 0.785 4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.151 0.280 2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 226 0.267 1.806 3.423 1.00 0.00 H new ATOM 619 N ASP A 227 2.651 0.059 -1.163 1.00 0.00 N ATOM 620 CA ASP A 227 2.570 -0.966 -2.182 1.00 0.00 C ATOM 621 C ASP A 227 2.578 -2.402 -1.619 1.00 0.00 C ATOM 622 O ASP A 227 3.619 -2.889 -1.178 1.00 0.00 O ATOM 623 CB ASP A 227 3.689 -0.749 -3.211 1.00 0.00 C ATOM 624 CG ASP A 227 5.134 -0.728 -2.734 1.00 0.00 C ATOM 625 OD1 ASP A 227 5.410 -0.695 -1.515 1.00 0.00 O ATOM 626 OD2 ASP A 227 5.982 -0.616 -3.648 1.00 0.00 O ATOM 0 H ASP A 227 3.380 0.747 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 227 1.601 -0.866 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.602 -1.533 -3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 227 3.494 0.198 -3.714 1.00 0.00 H new ATOM 631 N PRO A 228 1.468 -3.169 -1.695 1.00 0.00 N ATOM 632 CA PRO A 228 1.490 -4.595 -1.359 1.00 0.00 C ATOM 633 C PRO A 228 2.416 -5.381 -2.302 1.00 0.00 C ATOM 634 O PRO A 228 2.737 -6.538 -2.044 1.00 0.00 O ATOM 635 CB PRO A 228 0.037 -5.066 -1.455 1.00 0.00 C ATOM 636 CG PRO A 228 -0.578 -4.113 -2.477 1.00 0.00 C ATOM 637 CD PRO A 228 0.189 -2.808 -2.286 1.00 0.00 C ATOM 0 HA PRO A 228 1.890 -4.765 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 228 -0.028 -6.103 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -0.470 -5.004 -0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.468 -4.494 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.645 -3.976 -2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.331 -2.298 -3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -0.360 -2.126 -1.637 1.00 0.00 H new ATOM 645 N ASP A 229 2.852 -4.759 -3.396 1.00 0.00 N ATOM 646 CA ASP A 229 3.782 -5.321 -4.352 1.00 0.00 C ATOM 647 C ASP A 229 5.204 -5.456 -3.811 1.00 0.00 C ATOM 648 O ASP A 229 5.927 -6.348 -4.255 1.00 0.00 O ATOM 649 CB ASP A 229 3.820 -4.411 -5.576 1.00 0.00 C ATOM 650 CG ASP A 229 4.405 -5.172 -6.755 1.00 0.00 C ATOM 651 OD1 ASP A 229 3.671 -6.034 -7.301 1.00 0.00 O ATOM 652 OD2 ASP A 229 5.551 -4.906 -7.166 1.00 0.00 O ATOM 0 H ASP A 229 2.552 -3.816 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 229 3.431 -6.325 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.815 -4.064 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 229 4.421 -3.526 -5.366 1.00 0.00 H new ATOM 657 N ALA A 230 5.628 -4.576 -2.894 1.00 0.00 N ATOM 658 CA ALA A 230 7.032 -4.415 -2.543 1.00 0.00 C ATOM 659 C ALA A 230 7.218 -4.467 -1.034 1.00 0.00 C ATOM 660 O ALA A 230 6.402 -3.924 -0.287 1.00 0.00 O ATOM 661 CB ALA A 230 7.515 -3.073 -3.085 1.00 0.00 C ATOM 0 H ALA A 230 5.001 -3.959 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 230 7.613 -5.227 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.566 -2.935 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.398 -3.055 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.927 -2.269 -2.643 1.00 0.00 H new ATOM 667 N LYS A 231 8.317 -5.069 -0.574 1.00 0.00 N ATOM 668 CA LYS A 231 8.560 -5.306 0.848 1.00 0.00 C ATOM 669 C LYS A 231 10.015 -5.075 1.243 1.00 0.00 C ATOM 670 O LYS A 231 10.487 -5.685 2.199 1.00 0.00 O ATOM 671 CB LYS A 231 8.064 -6.736 1.182 1.00 0.00 C ATOM 672 CG LYS A 231 6.560 -6.814 1.504 1.00 0.00 C ATOM 673 CD LYS A 231 6.293 -6.817 3.016 1.00 0.00 C ATOM 674 CE LYS A 231 6.870 -5.594 3.747 1.00 0.00 C ATOM 675 NZ LYS A 231 7.270 -5.934 5.125 1.00 0.00 N ATOM 0 H LYS A 231 9.065 -5.406 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 231 8.003 -4.581 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.280 -7.391 0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 231 8.628 -7.116 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 231 6.047 -5.967 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 231 6.141 -7.717 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 231 5.217 -6.857 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 231 6.718 -7.722 3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 231 7.732 -5.213 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 231 6.128 -4.796 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 7.656 -5.089 5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 6.441 -6.275 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 7.996 -6.679 5.102 1.00 0.00 H new ATOM 689 N LYS A 232 10.679 -4.112 0.608 1.00 0.00 N ATOM 690 CA LYS A 232 12.109 -3.861 0.553 1.00 0.00 C ATOM 691 C LYS A 232 12.775 -4.987 -0.225 1.00 0.00 C ATOM 692 O LYS A 232 12.575 -6.159 0.114 1.00 0.00 O ATOM 693 CB LYS A 232 12.727 -3.684 1.934 1.00 0.00 C ATOM 694 CG LYS A 232 14.201 -3.260 1.853 1.00 0.00 C ATOM 695 CD LYS A 232 14.773 -2.784 3.192 1.00 0.00 C ATOM 696 CE LYS A 232 15.059 -3.909 4.190 1.00 0.00 C ATOM 697 NZ LYS A 232 13.845 -4.417 4.855 1.00 0.00 N ATOM 0 H LYS A 232 10.170 -3.417 0.063 1.00 0.00 H new ATOM 0 HA LYS A 232 12.276 -2.915 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.164 -2.934 2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 232 12.648 -4.619 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 232 14.794 -4.101 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.301 -2.460 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 232 15.697 -2.236 3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 232 14.072 -2.082 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 232 15.552 -4.731 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 232 15.755 -3.547 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 14.058 -4.632 5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 13.097 -3.696 4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 13.522 -5.281 4.375 1.00 0.00 H new ATOM 711 N PRO A 233 13.561 -4.671 -1.258 1.00 0.00 N ATOM 712 CA PRO A 233 14.308 -5.693 -1.948 1.00 0.00 C ATOM 713 C PRO A 233 15.377 -6.260 -1.008 1.00 0.00 C ATOM 714 O PRO A 233 16.016 -5.540 -0.247 1.00 0.00 O ATOM 715 CB PRO A 233 14.889 -5.009 -3.189 1.00 0.00 C ATOM 716 CG PRO A 233 14.733 -3.505 -2.976 1.00 0.00 C ATOM 717 CD PRO A 233 13.799 -3.340 -1.791 1.00 0.00 C ATOM 0 HA PRO A 233 13.701 -6.545 -2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 233 15.938 -5.274 -3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.363 -5.329 -4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.698 -3.038 -2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.322 -3.026 -3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.244 -2.694 -1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.863 -2.873 -2.098 1.00 0.00 H new ATOM 725 N GLU A 234 15.635 -7.556 -1.123 1.00 0.00 N ATOM 726 CA GLU A 234 16.861 -8.208 -0.700 1.00 0.00 C ATOM 727 C GLU A 234 18.074 -7.673 -1.485 1.00 0.00 C ATOM 728 O GLU A 234 19.213 -7.875 -1.085 1.00 0.00 O ATOM 729 CB GLU A 234 16.695 -9.729 -0.888 1.00 0.00 C ATOM 730 CG GLU A 234 16.107 -10.274 -2.216 1.00 0.00 C ATOM 731 CD GLU A 234 14.574 -10.341 -2.230 1.00 0.00 C ATOM 732 OE1 GLU A 234 13.912 -9.282 -2.345 1.00 0.00 O ATOM 733 OE2 GLU A 234 13.994 -11.438 -2.058 1.00 0.00 O ATOM 0 H GLU A 234 14.965 -8.207 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 234 17.049 -7.991 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 234 17.676 -10.184 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 234 16.063 -10.091 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 234 16.442 -9.641 -3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 234 16.507 -11.271 -2.398 1.00 0.00 H new ATOM 740 N ASP A 235 17.800 -6.978 -2.587 1.00 0.00 N ATOM 741 CA ASP A 235 18.711 -6.292 -3.508 1.00 0.00 C ATOM 742 C ASP A 235 18.973 -4.828 -3.073 1.00 0.00 C ATOM 743 O ASP A 235 19.563 -4.054 -3.821 1.00 0.00 O ATOM 744 CB ASP A 235 18.045 -6.358 -4.903 1.00 0.00 C ATOM 745 CG ASP A 235 18.995 -6.334 -6.102 1.00 0.00 C ATOM 746 OD1 ASP A 235 20.000 -7.081 -6.066 1.00 0.00 O ATOM 747 OD2 ASP A 235 18.588 -5.731 -7.123 1.00 0.00 O ATOM 0 H ASP A 235 16.832 -6.869 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 235 19.689 -6.773 -3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 235 17.448 -7.269 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 235 17.355 -5.519 -4.994 1.00 0.00 H new ATOM 752 N TRP A 236 18.457 -4.403 -1.906 1.00 0.00 N ATOM 753 CA TRP A 236 18.670 -3.066 -1.343 1.00 0.00 C ATOM 754 C TRP A 236 20.031 -2.951 -0.640 1.00 0.00 C ATOM 755 O TRP A 236 20.606 -3.952 -0.210 1.00 0.00 O ATOM 756 CB TRP A 236 17.550 -2.741 -0.338 1.00 0.00 C ATOM 757 CG TRP A 236 17.466 -1.308 0.096 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.891 -0.788 1.272 1.00 0.00 C ATOM 759 CD2 TRP A 236 17.027 -0.174 -0.701 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.732 0.585 1.257 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.175 1.012 0.072 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.541 -0.037 -2.016 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.827 2.270 -0.426 1.00 0.00 C ATOM 764 CZ3 TRP A 236 16.218 1.229 -2.545 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.369 2.381 -1.750 1.00 0.00 C ATOM 0 H TRP A 236 17.869 -4.995 -1.319 1.00 0.00 H new ATOM 0 HA TRP A 236 18.655 -2.355 -2.169 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.595 -3.025 -0.781 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.688 -3.363 0.547 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.293 -1.359 2.096 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.994 1.203 2.025 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.414 -0.917 -2.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.909 3.147 0.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.855 1.315 -3.559 1.00 0.00 H new ATOM 0 HH2 TRP A 236 16.132 3.352 -2.159 1.00 0.00 H new ATOM 776 N ASP A 237 20.478 -1.712 -0.417 1.00 0.00 N ATOM 777 CA ASP A 237 21.671 -1.354 0.341 1.00 0.00 C ATOM 778 C ASP A 237 21.325 -0.172 1.251 1.00 0.00 C ATOM 779 O ASP A 237 20.971 0.912 0.780 1.00 0.00 O ATOM 780 CB ASP A 237 22.823 -1.017 -0.607 1.00 0.00 C ATOM 781 CG ASP A 237 24.140 -0.745 0.140 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.097 -0.369 1.336 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.202 -0.905 -0.499 1.00 0.00 O ATOM 0 H ASP A 237 19.990 -0.893 -0.780 1.00 0.00 H new ATOM 0 HA ASP A 237 21.998 -2.194 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.968 -1.842 -1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.558 -0.141 -1.199 1.00 0.00 H new ATOM 788 N GLU A 238 21.349 -0.405 2.564 1.00 0.00 N ATOM 789 CA GLU A 238 20.940 0.564 3.574 1.00 0.00 C ATOM 790 C GLU A 238 22.098 1.446 4.060 1.00 0.00 C ATOM 791 O GLU A 238 21.854 2.463 4.709 1.00 0.00 O ATOM 792 CB GLU A 238 20.254 -0.209 4.718 1.00 0.00 C ATOM 793 CG GLU A 238 19.613 0.676 5.799 1.00 0.00 C ATOM 794 CD GLU A 238 18.619 -0.091 6.675 1.00 0.00 C ATOM 795 OE1 GLU A 238 17.594 -0.578 6.143 1.00 0.00 O ATOM 796 OE2 GLU A 238 18.822 -0.164 7.914 1.00 0.00 O ATOM 0 H GLU A 238 21.660 -1.292 2.960 1.00 0.00 H new ATOM 0 HA GLU A 238 20.235 1.271 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 238 19.485 -0.853 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 238 20.990 -0.860 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 238 20.396 1.098 6.429 1.00 0.00 H new ATOM 0 HG3 GLU A 238 19.102 1.512 5.322 1.00 0.00 H new ATOM 803 N GLU A 239 23.346 1.125 3.713 1.00 0.00 N ATOM 804 CA GLU A 239 24.471 2.046 3.905 1.00 0.00 C ATOM 805 C GLU A 239 24.633 2.946 2.669 1.00 0.00 C ATOM 806 O GLU A 239 25.276 3.994 2.753 1.00 0.00 O ATOM 807 CB GLU A 239 25.765 1.283 4.270 1.00 0.00 C ATOM 808 CG GLU A 239 25.705 0.730 5.709 1.00 0.00 C ATOM 809 CD GLU A 239 27.057 0.220 6.243 1.00 0.00 C ATOM 810 OE1 GLU A 239 27.943 1.064 6.518 1.00 0.00 O ATOM 811 OE2 GLU A 239 27.183 -1.008 6.460 1.00 0.00 O ATOM 0 H GLU A 239 23.605 0.231 3.296 1.00 0.00 H new ATOM 0 HA GLU A 239 24.258 2.697 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 239 25.915 0.462 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.622 1.949 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 239 25.336 1.512 6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 239 24.982 -0.085 5.744 1.00 0.00 H new ATOM 818 N MET A 240 24.009 2.586 1.540 1.00 0.00 N ATOM 819 CA MET A 240 24.006 3.377 0.318 1.00 0.00 C ATOM 820 C MET A 240 22.975 4.498 0.403 1.00 0.00 C ATOM 821 O MET A 240 23.334 5.666 0.257 1.00 0.00 O ATOM 822 CB MET A 240 23.744 2.466 -0.891 1.00 0.00 C ATOM 823 CG MET A 240 23.634 3.253 -2.203 1.00 0.00 C ATOM 824 SD MET A 240 23.356 2.241 -3.684 1.00 0.00 S ATOM 825 CE MET A 240 22.555 3.481 -4.736 1.00 0.00 C ATOM 0 H MET A 240 23.483 1.716 1.456 1.00 0.00 H new ATOM 0 HA MET A 240 24.984 3.842 0.193 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.550 1.737 -0.974 1.00 0.00 H new ATOM 0 HB3 MET A 240 22.823 1.906 -0.728 1.00 0.00 H new ATOM 0 HG2 MET A 240 22.817 3.969 -2.112 1.00 0.00 H new ATOM 0 HG3 MET A 240 24.549 3.829 -2.341 1.00 0.00 H new ATOM 0 HE1 MET A 240 22.308 3.036 -5.700 1.00 0.00 H new ATOM 0 HE2 MET A 240 21.642 3.832 -4.254 1.00 0.00 H new ATOM 0 HE3 MET A 240 23.232 4.322 -4.887 1.00 0.00 H new ATOM 835 N ASP A 241 21.693 4.146 0.547 1.00 0.00 N ATOM 836 CA ASP A 241 20.577 5.083 0.351 1.00 0.00 C ATOM 837 C ASP A 241 19.777 5.285 1.645 1.00 0.00 C ATOM 838 O ASP A 241 18.743 5.959 1.659 1.00 0.00 O ATOM 839 CB ASP A 241 19.695 4.593 -0.811 1.00 0.00 C ATOM 840 CG ASP A 241 18.777 5.698 -1.347 1.00 0.00 C ATOM 841 OD1 ASP A 241 19.247 6.809 -1.682 1.00 0.00 O ATOM 842 OD2 ASP A 241 17.550 5.460 -1.468 1.00 0.00 O ATOM 0 H ASP A 241 21.398 3.204 0.803 1.00 0.00 H new ATOM 0 HA ASP A 241 20.976 6.063 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.330 4.227 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 241 19.090 3.751 -0.475 1.00 0.00 H new ATOM 847 N GLY A 242 20.235 4.687 2.750 1.00 0.00 N ATOM 848 CA GLY A 242 19.495 4.633 3.988 1.00 0.00 C ATOM 849 C GLY A 242 18.383 3.607 3.856 1.00 0.00 C ATOM 850 O GLY A 242 18.361 2.779 2.941 1.00 0.00 O ATOM 0 H GLY A 242 21.143 4.225 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.158 4.366 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.077 5.613 4.220 1.00 0.00 H new ATOM 854 N GLU A 243 17.472 3.626 4.814 1.00 0.00 N ATOM 855 CA GLU A 243 16.326 2.777 4.856 1.00 0.00 C ATOM 856 C GLU A 243 15.501 2.960 3.591 1.00 0.00 C ATOM 857 O GLU A 243 15.139 4.082 3.231 1.00 0.00 O ATOM 858 CB GLU A 243 15.478 3.163 6.059 1.00 0.00 C ATOM 859 CG GLU A 243 15.926 2.605 7.414 1.00 0.00 C ATOM 860 CD GLU A 243 16.949 3.469 8.144 1.00 0.00 C ATOM 861 OE1 GLU A 243 17.602 4.346 7.542 1.00 0.00 O ATOM 862 OE2 GLU A 243 17.118 3.256 9.368 1.00 0.00 O ATOM 0 H GLU A 243 17.526 4.264 5.608 1.00 0.00 H new ATOM 0 HA GLU A 243 16.644 1.737 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 243 15.457 4.251 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 243 14.455 2.835 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 243 15.050 2.484 8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 243 16.349 1.612 7.262 1.00 0.00 H new ATOM 869 N TRP A 244 15.127 1.840 2.981 1.00 0.00 N ATOM 870 CA TRP A 244 14.126 1.807 1.931 1.00 0.00 C ATOM 871 C TRP A 244 12.830 2.384 2.490 1.00 0.00 C ATOM 872 O TRP A 244 12.344 1.945 3.540 1.00 0.00 O ATOM 873 CB TRP A 244 13.906 0.358 1.502 1.00 0.00 C ATOM 874 CG TRP A 244 12.845 0.083 0.483 1.00 0.00 C ATOM 875 CD1 TRP A 244 12.981 0.205 -0.855 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.493 -0.414 0.709 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.814 -0.203 -1.472 1.00 0.00 N ATOM 878 CE2 TRP A 244 10.861 -0.595 -0.554 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.754 -0.773 1.857 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.559 -1.104 -0.665 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.464 -1.319 1.754 1.00 0.00 C ATOM 882 CH2 TRP A 244 8.872 -1.489 0.494 1.00 0.00 C ATOM 0 H TRP A 244 15.516 0.924 3.206 1.00 0.00 H new ATOM 0 HA TRP A 244 14.450 2.390 1.069 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.850 -0.023 1.113 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.672 -0.223 2.394 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.863 0.565 -1.363 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.674 -0.213 -2.482 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.189 -0.625 2.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.091 -1.198 -1.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 8.928 -1.608 2.646 1.00 0.00 H new ATOM 0 HH2 TRP A 244 7.884 -1.918 0.417 1.00 0.00 H new ATOM 893 N GLU A 245 12.243 3.317 1.758 1.00 0.00 N ATOM 894 CA GLU A 245 10.835 3.630 1.897 1.00 0.00 C ATOM 895 C GLU A 245 10.110 2.939 0.747 1.00 0.00 C ATOM 896 O GLU A 245 10.567 3.012 -0.399 1.00 0.00 O ATOM 897 CB GLU A 245 10.563 5.135 1.824 1.00 0.00 C ATOM 898 CG GLU A 245 10.792 5.862 3.153 1.00 0.00 C ATOM 899 CD GLU A 245 10.221 7.275 3.065 1.00 0.00 C ATOM 900 OE1 GLU A 245 8.984 7.423 3.152 1.00 0.00 O ATOM 901 OE2 GLU A 245 10.974 8.254 2.833 1.00 0.00 O ATOM 0 H GLU A 245 12.728 3.875 1.055 1.00 0.00 H new ATOM 0 HA GLU A 245 10.489 3.289 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 245 11.206 5.576 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 245 9.533 5.295 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 245 10.314 5.315 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 245 11.858 5.902 3.379 1.00 0.00 H new ATOM 908 N PRO A 246 8.952 2.323 1.009 1.00 0.00 N ATOM 909 CA PRO A 246 7.999 2.054 -0.043 1.00 0.00 C ATOM 910 C PRO A 246 7.441 3.374 -0.602 1.00 0.00 C ATOM 911 O PRO A 246 7.483 4.406 0.082 1.00 0.00 O ATOM 912 CB PRO A 246 6.896 1.214 0.604 1.00 0.00 C ATOM 913 CG PRO A 246 7.129 1.258 2.115 1.00 0.00 C ATOM 914 CD PRO A 246 8.365 2.119 2.317 1.00 0.00 C ATOM 0 HA PRO A 246 8.451 1.526 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.912 1.611 0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.928 0.188 0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 246 6.268 1.682 2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.280 0.256 2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 246 8.101 3.072 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 246 9.072 1.629 2.986 1.00 0.00 H new ATOM 922 N PRO A 247 6.842 3.355 -1.801 1.00 0.00 N ATOM 923 CA PRO A 247 5.928 4.388 -2.264 1.00 0.00 C ATOM 924 C PRO A 247 4.631 4.357 -1.439 1.00 0.00 C ATOM 925 O PRO A 247 4.514 3.681 -0.410 1.00 0.00 O ATOM 926 CB PRO A 247 5.693 4.052 -3.743 1.00 0.00 C ATOM 927 CG PRO A 247 5.749 2.527 -3.752 1.00 0.00 C ATOM 928 CD PRO A 247 6.814 2.218 -2.703 1.00 0.00 C ATOM 0 HA PRO A 247 6.320 5.398 -2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.731 4.424 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.458 4.489 -4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 247 4.787 2.086 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.023 2.139 -4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.575 1.301 -2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.787 2.069 -3.170 1.00 0.00 H new ATOM 936 N VAL A 248 3.627 5.077 -1.920 1.00 0.00 N ATOM 937 CA VAL A 248 2.248 4.916 -1.521 1.00 0.00 C ATOM 938 C VAL A 248 1.445 4.882 -2.814 1.00 0.00 C ATOM 939 O VAL A 248 1.681 5.684 -3.724 1.00 0.00 O ATOM 940 CB VAL A 248 1.782 6.015 -0.540 1.00 0.00 C ATOM 941 CG1 VAL A 248 1.012 5.361 0.608 1.00 0.00 C ATOM 942 CG2 VAL A 248 2.888 6.847 0.110 1.00 0.00 C ATOM 0 H VAL A 248 3.760 5.808 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 248 2.103 3.995 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 248 1.189 6.692 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.679 6.129 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 248 0.146 4.831 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.662 4.656 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.443 7.585 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.548 6.193 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.462 7.357 -0.664 1.00 0.00 H new ATOM 952 N ILE A 249 0.522 3.934 -2.905 1.00 0.00 N ATOM 953 CA ILE A 249 -0.336 3.695 -4.048 1.00 0.00 C ATOM 954 C ILE A 249 -1.779 3.900 -3.605 1.00 0.00 C ATOM 955 O ILE A 249 -2.089 3.880 -2.410 1.00 0.00 O ATOM 956 CB ILE A 249 -0.095 2.286 -4.643 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.642 1.142 -3.757 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.402 2.063 -4.941 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.839 -0.174 -4.516 1.00 0.00 C ATOM 0 H ILE A 249 0.346 3.280 -2.142 1.00 0.00 H new ATOM 0 HA ILE A 249 -0.106 4.398 -4.849 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.658 2.254 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.045 0.975 -2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.594 1.450 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.545 1.066 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.745 2.809 -5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 249 1.974 2.156 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -1.224 -0.933 -3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -1.549 -0.022 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.116 -0.505 -4.925 1.00 0.00 H new ATOM 971 N GLN A 250 -2.683 4.044 -4.566 1.00 0.00 N ATOM 972 CA GLN A 250 -4.100 4.017 -4.273 1.00 0.00 C ATOM 973 C GLN A 250 -4.491 2.607 -3.818 1.00 0.00 C ATOM 974 O GLN A 250 -4.058 1.611 -4.406 1.00 0.00 O ATOM 975 CB GLN A 250 -4.875 4.431 -5.528 1.00 0.00 C ATOM 976 CG GLN A 250 -6.354 4.749 -5.253 1.00 0.00 C ATOM 977 CD GLN A 250 -6.541 6.078 -4.528 1.00 0.00 C ATOM 978 OE1 GLN A 250 -6.666 7.121 -5.168 1.00 0.00 O ATOM 979 NE2 GLN A 250 -6.550 6.113 -3.203 1.00 0.00 N ATOM 0 H GLN A 250 -2.455 4.180 -5.551 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.341 4.715 -3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.398 5.307 -5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.814 3.630 -6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -6.898 4.774 -6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.789 3.948 -4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.447 5.250 -2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -6.660 7.003 -2.717 1.00 0.00 H new ATOM 988 N ASN A 251 -5.363 2.536 -2.809 1.00 0.00 N ATOM 989 CA ASN A 251 -6.079 1.337 -2.396 1.00 0.00 C ATOM 990 C ASN A 251 -6.703 0.583 -3.577 1.00 0.00 C ATOM 991 O ASN A 251 -7.044 1.223 -4.574 1.00 0.00 O ATOM 992 CB ASN A 251 -7.196 1.724 -1.416 1.00 0.00 C ATOM 993 CG ASN A 251 -6.817 1.445 0.026 1.00 0.00 C ATOM 994 OD1 ASN A 251 -6.607 0.310 0.435 1.00 0.00 O ATOM 995 ND2 ASN A 251 -6.736 2.482 0.822 1.00 0.00 N ATOM 0 H ASN A 251 -5.595 3.348 -2.237 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.351 0.676 -1.926 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -7.426 2.783 -1.531 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -8.102 1.172 -1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -6.494 2.353 1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -6.915 3.418 0.459 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.975 -0.727 -3.416 1.00 0.00 N ATOM 1003 CA PRO A 252 -7.636 -1.598 -4.373 1.00 0.00 C ATOM 1004 C PRO A 252 -9.116 -1.222 -4.503 1.00 0.00 C ATOM 1005 O PRO A 252 -9.995 -1.858 -3.908 1.00 0.00 O ATOM 1006 CB PRO A 252 -7.370 -3.028 -3.898 1.00 0.00 C ATOM 1007 CG PRO A 252 -7.249 -2.896 -2.391 1.00 0.00 C ATOM 1008 CD PRO A 252 -6.688 -1.488 -2.208 1.00 0.00 C ATOM 0 HA PRO A 252 -7.250 -1.495 -5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -8.183 -3.699 -4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -6.458 -3.432 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -8.214 -3.012 -1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -6.584 -3.652 -1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -7.139 -1.008 -1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -5.614 -1.527 -2.028 1.00 0.00 H new ATOM 1016 N GLU A 253 -9.369 -0.133 -5.227 1.00 0.00 N ATOM 1017 CA GLU A 253 -10.676 0.454 -5.545 1.00 0.00 C ATOM 1018 C GLU A 253 -11.488 0.881 -4.308 1.00 0.00 C ATOM 1019 O GLU A 253 -12.686 0.594 -4.228 1.00 0.00 O ATOM 1020 CB GLU A 253 -11.466 -0.294 -6.633 1.00 0.00 C ATOM 1021 CG GLU A 253 -11.874 -1.691 -6.219 1.00 0.00 C ATOM 1022 CD GLU A 253 -13.015 -2.290 -7.028 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -13.064 -2.108 -8.261 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -13.888 -2.970 -6.439 1.00 0.00 O ATOM 0 H GLU A 253 -8.608 0.406 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 253 -10.442 1.401 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -12.359 0.279 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -10.860 -0.352 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -11.007 -2.346 -6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -12.163 -1.673 -5.168 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.818 1.408 -3.271 1.00 0.00 N ATOM 1032 CA TYR A 254 -11.483 1.928 -2.068 1.00 0.00 C ATOM 1033 C TYR A 254 -12.712 2.749 -2.470 1.00 0.00 C ATOM 1034 O TYR A 254 -12.625 3.771 -3.147 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.559 2.750 -1.147 1.00 0.00 C ATOM 1036 CG TYR A 254 -11.284 3.506 -0.031 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -12.362 2.913 0.662 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -10.902 4.823 0.297 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -13.095 3.646 1.613 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -11.604 5.547 1.280 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.702 4.961 1.941 1.00 0.00 C ATOM 1042 OH TYR A 254 -13.410 5.653 2.870 1.00 0.00 O ATOM 0 H TYR A 254 -9.801 1.485 -3.244 1.00 0.00 H new ATOM 0 HA TYR A 254 -11.785 1.061 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.826 2.080 -0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -10.006 3.467 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -12.627 1.886 0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -10.065 5.280 -0.209 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -13.956 3.203 2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -11.300 6.553 1.528 1.00 0.00 H new ATOM 0 HH TYR A 254 -13.015 6.542 2.987 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.866 2.233 -2.061 1.00 0.00 N ATOM 1053 CA LYS A 255 -15.197 2.655 -2.454 1.00 0.00 C ATOM 1054 C LYS A 255 -15.451 4.118 -2.142 1.00 0.00 C ATOM 1055 O LYS A 255 -16.296 4.721 -2.800 1.00 0.00 O ATOM 1056 CB LYS A 255 -16.182 1.804 -1.646 1.00 0.00 C ATOM 1057 CG LYS A 255 -16.134 0.331 -2.055 1.00 0.00 C ATOM 1058 CD LYS A 255 -16.675 -0.597 -0.966 1.00 0.00 C ATOM 1059 CE LYS A 255 -15.753 -1.794 -0.774 1.00 0.00 C ATOM 1060 NZ LYS A 255 -15.780 -2.690 -1.955 1.00 0.00 N ATOM 0 H LYS A 255 -13.893 1.456 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 255 -15.312 2.529 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.952 1.893 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -17.193 2.187 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -16.714 0.192 -2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -15.105 0.055 -2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -16.769 -0.050 -0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -17.674 -0.940 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -14.734 -1.447 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -16.055 -2.350 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -15.142 -3.496 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -16.748 -3.039 -2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -15.468 -2.165 -2.797 1.00 0.00 H new ATOM 1074 N GLY A 256 -14.812 4.639 -1.095 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.451 5.635 -0.270 1.00 0.00 C ATOM 1076 C GLY A 256 -16.796 5.066 0.164 1.00 0.00 C ATOM 1077 O GLY A 256 -16.827 4.018 0.808 1.00 0.00 O ATOM 0 H GLY A 256 -13.866 4.386 -0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -14.834 5.869 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.587 6.564 -0.824 1.00 0.00 H new ATOM 1081 N GLU A 257 -17.894 5.742 -0.168 1.00 0.00 N ATOM 1082 CA GLU A 257 -19.081 5.761 0.665 1.00 0.00 C ATOM 1083 C GLU A 257 -19.636 4.366 0.974 1.00 0.00 C ATOM 1084 O GLU A 257 -19.956 3.568 0.086 1.00 0.00 O ATOM 1085 CB GLU A 257 -20.110 6.801 0.186 1.00 0.00 C ATOM 1086 CG GLU A 257 -21.106 6.421 -0.916 1.00 0.00 C ATOM 1087 CD GLU A 257 -20.607 6.693 -2.339 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -19.746 5.946 -2.849 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -21.189 7.590 -2.997 1.00 0.00 O ATOM 0 H GLU A 257 -17.980 6.290 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 257 -18.776 6.117 1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -20.688 7.114 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -19.556 7.674 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -21.345 5.362 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -22.033 6.972 -0.757 1.00 0.00 H new ATOM 1096 N TRP A 258 -19.726 4.057 2.265 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.541 2.963 2.761 1.00 0.00 C ATOM 1098 C TRP A 258 -22.010 3.261 2.509 1.00 0.00 C ATOM 1099 O TRP A 258 -22.402 4.430 2.395 1.00 0.00 O ATOM 1100 CB TRP A 258 -20.261 2.774 4.249 1.00 0.00 C ATOM 1101 CG TRP A 258 -21.268 1.941 4.967 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.201 0.610 5.176 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.560 2.368 5.490 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.354 0.200 5.807 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -23.243 1.232 6.001 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -23.264 3.586 5.469 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.548 1.306 6.511 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -24.591 3.662 5.916 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -25.217 2.538 6.481 1.00 0.00 C ATOM 0 H TRP A 258 -19.230 4.565 2.997 1.00 0.00 H new ATOM 0 HA TRP A 258 -20.293 2.039 2.238 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.279 2.315 4.366 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -20.213 3.754 4.724 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.378 -0.029 4.894 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -22.530 -0.762 6.098 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -22.775 4.476 5.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -25.029 0.429 6.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -25.135 4.590 5.825 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -26.212 2.623 6.892 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.823 2.204 2.437 1.00 0.00 N ATOM 1121 CA LYS A 259 -24.255 2.311 2.262 1.00 0.00 C ATOM 1122 C LYS A 259 -24.938 1.166 3.020 1.00 0.00 C ATOM 1123 O LYS A 259 -24.321 0.130 3.277 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.573 2.281 0.749 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.672 3.170 -0.137 1.00 0.00 C ATOM 1126 CD LYS A 259 -23.967 3.090 -1.647 1.00 0.00 C ATOM 1127 CE LYS A 259 -22.656 3.214 -2.442 1.00 0.00 C ATOM 1128 NZ LYS A 259 -22.839 3.618 -3.849 1.00 0.00 N ATOM 0 H LYS A 259 -22.491 1.242 2.501 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.634 3.249 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -24.495 1.252 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.609 2.588 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -23.779 4.206 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.632 2.890 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -24.457 2.145 -1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -24.654 3.885 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -22.012 3.941 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -22.136 2.257 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -21.912 3.679 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -23.427 2.914 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -23.307 4.546 -3.886 1.00 0.00 H new ATOM 1142 N PRO A 260 -26.233 1.274 3.346 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.983 0.193 3.978 1.00 0.00 C ATOM 1144 C PRO A 260 -27.435 -0.843 2.934 1.00 0.00 C ATOM 1145 O PRO A 260 -28.601 -1.248 2.894 1.00 0.00 O ATOM 1146 CB PRO A 260 -28.113 0.902 4.716 1.00 0.00 C ATOM 1147 CG PRO A 260 -28.404 2.109 3.826 1.00 0.00 C ATOM 1148 CD PRO A 260 -27.043 2.474 3.240 1.00 0.00 C ATOM 0 HA PRO A 260 -26.400 -0.403 4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.988 0.261 4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.812 1.204 5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -29.122 1.864 3.044 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -28.826 2.935 4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -27.137 2.792 2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -26.591 3.301 3.787 1.00 0.00 H new ATOM 1156 N ARG A 261 -26.534 -1.231 2.028 1.00 0.00 N ATOM 1157 CA ARG A 261 -26.681 -2.223 0.996 1.00 0.00 C ATOM 1158 C ARG A 261 -25.275 -2.681 0.650 1.00 0.00 C ATOM 1159 O ARG A 261 -24.366 -1.819 0.686 1.00 0.00 O ATOM 1160 CB ARG A 261 -27.417 -1.600 -0.191 1.00 0.00 C ATOM 1161 CG ARG A 261 -26.623 -0.601 -1.046 1.00 0.00 C ATOM 1162 CD ARG A 261 -27.550 0.166 -1.990 1.00 0.00 C ATOM 1163 NE ARG A 261 -26.797 0.923 -3.003 1.00 0.00 N ATOM 1164 CZ ARG A 261 -27.129 2.101 -3.543 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -28.174 2.789 -3.089 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -26.398 2.606 -4.529 1.00 0.00 N ATOM 0 H ARG A 261 -25.604 -0.812 2.009 1.00 0.00 H new ATOM 0 HA ARG A 261 -27.273 -3.084 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -27.760 -2.406 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -28.306 -1.094 0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -26.096 0.100 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -25.867 -1.132 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -28.223 -0.534 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -28.171 0.851 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 261 -25.926 0.503 -3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -28.733 2.419 -2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -28.416 3.686 -3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -25.585 2.096 -4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -26.650 3.504 -4.942 1.00 0.00 H new