USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=5 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+ -168:sc= 1.3 (180deg=1.14) USER MOD Single : A 214 SER OG : rot 29:sc= 0.0535 USER MOD Single : A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 HIS : no HD1:sc=-0.000456 X(o=-0.00046,f=0) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ -174:sc= 1.02 (180deg=0.966) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 250 GLN : amide:sc= 0.966 K(o=0.97,f=0) USER MOD Single : A 251 ASN : amide:sc= 0.733 K(o=0.73,f=-2.2) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ -169:sc= -0.081 (180deg=-0.139) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -14.322 5.447 30.328 1.00 0.00 N ATOM 124 CA ASP A 195 -13.431 4.374 30.772 1.00 0.00 C ATOM 125 C ASP A 195 -13.244 3.369 29.632 1.00 0.00 C ATOM 126 O ASP A 195 -12.263 3.428 28.882 1.00 0.00 O ATOM 127 CB ASP A 195 -13.910 3.726 32.089 1.00 0.00 C ATOM 128 CG ASP A 195 -13.219 2.382 32.328 1.00 0.00 C ATOM 129 OD1 ASP A 195 -11.983 2.376 32.526 1.00 0.00 O ATOM 130 OD2 ASP A 195 -13.879 1.327 32.257 1.00 0.00 O ATOM 0 HA ASP A 195 -12.454 4.794 31.011 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -13.705 4.397 32.923 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -14.990 3.582 32.055 1.00 0.00 H new ATOM 135 N ALA A 196 -14.229 2.490 29.501 1.00 0.00 N ATOM 136 CA ALA A 196 -14.411 1.425 28.526 1.00 0.00 C ATOM 137 C ALA A 196 -15.860 0.903 28.551 1.00 0.00 C ATOM 138 O ALA A 196 -16.124 -0.211 28.091 1.00 0.00 O ATOM 139 CB ALA A 196 -13.410 0.297 28.808 1.00 0.00 C ATOM 0 H ALA A 196 -15.012 2.510 30.154 1.00 0.00 H new ATOM 0 HA ALA A 196 -14.224 1.818 27.527 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -13.546 -0.501 28.078 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -12.394 0.686 28.736 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -13.578 -0.096 29.811 1.00 0.00 H new ATOM 145 N ALA A 197 -16.800 1.655 29.134 1.00 0.00 N ATOM 146 CA ALA A 197 -18.197 1.272 29.338 1.00 0.00 C ATOM 147 C ALA A 197 -19.090 2.517 29.483 1.00 0.00 C ATOM 148 O ALA A 197 -19.989 2.543 30.320 1.00 0.00 O ATOM 149 CB ALA A 197 -18.295 0.359 30.562 1.00 0.00 C ATOM 0 H ALA A 197 -16.596 2.588 29.492 1.00 0.00 H new ATOM 0 HA ALA A 197 -18.556 0.724 28.466 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -19.334 0.071 30.719 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -17.691 -0.534 30.399 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -17.929 0.889 31.441 1.00 0.00 H new ATOM 155 N LYS A 198 -18.818 3.521 28.637 1.00 0.00 N ATOM 156 CA LYS A 198 -19.351 4.874 28.480 1.00 0.00 C ATOM 157 C LYS A 198 -19.419 5.703 29.768 1.00 0.00 C ATOM 158 O LYS A 198 -19.497 5.155 30.865 1.00 0.00 O ATOM 159 CB LYS A 198 -20.637 4.778 27.650 1.00 0.00 C ATOM 160 CG LYS A 198 -21.876 4.430 28.480 1.00 0.00 C ATOM 161 CD LYS A 198 -22.643 3.188 28.003 1.00 0.00 C ATOM 162 CE LYS A 198 -22.663 2.089 29.080 1.00 0.00 C ATOM 163 NZ LYS A 198 -23.893 1.272 29.054 1.00 0.00 N ATOM 0 H LYS A 198 -18.097 3.368 27.932 1.00 0.00 H new ATOM 0 HA LYS A 198 -18.641 5.486 27.924 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -20.804 5.728 27.143 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -20.504 4.023 26.876 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -21.571 4.276 29.515 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -22.554 5.284 28.471 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -23.665 3.467 27.747 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -22.181 2.801 27.095 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -21.799 1.438 28.942 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -22.561 2.550 30.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -23.942 0.691 29.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -24.724 1.896 29.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -23.880 0.652 28.219 1.00 0.00 H new ATOM 177 N PRO A 199 -19.429 7.039 29.673 1.00 0.00 N ATOM 178 CA PRO A 199 -19.644 7.876 30.838 1.00 0.00 C ATOM 179 C PRO A 199 -21.149 7.951 31.137 1.00 0.00 C ATOM 180 O PRO A 199 -21.656 9.035 31.416 1.00 0.00 O ATOM 181 CB PRO A 199 -19.018 9.216 30.430 1.00 0.00 C ATOM 182 CG PRO A 199 -18.991 9.261 28.901 1.00 0.00 C ATOM 183 CD PRO A 199 -19.370 7.851 28.469 1.00 0.00 C ATOM 0 HA PRO A 199 -19.196 7.511 31.762 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -19.599 10.048 30.828 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -18.010 9.308 30.835 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -19.695 9.997 28.514 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -18.004 9.538 28.530 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -20.332 7.850 27.956 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -18.635 7.451 27.770 1.00 0.00 H new ATOM 191 N GLU A 200 -21.859 6.811 31.057 1.00 0.00 N ATOM 192 CA GLU A 200 -23.305 6.566 31.247 1.00 0.00 C ATOM 193 C GLU A 200 -24.227 7.601 30.598 1.00 0.00 C ATOM 194 O GLU A 200 -25.375 7.818 30.981 1.00 0.00 O ATOM 195 CB GLU A 200 -23.562 6.265 32.716 1.00 0.00 C ATOM 196 CG GLU A 200 -23.539 7.460 33.678 1.00 0.00 C ATOM 197 CD GLU A 200 -23.111 7.077 35.101 1.00 0.00 C ATOM 198 OE1 GLU A 200 -22.060 6.414 35.271 1.00 0.00 O ATOM 199 OE2 GLU A 200 -23.858 7.448 36.039 1.00 0.00 O ATOM 0 H GLU A 200 -21.381 5.939 30.832 1.00 0.00 H new ATOM 0 HA GLU A 200 -23.589 5.680 30.679 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -24.535 5.780 32.799 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -22.817 5.544 33.051 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -22.857 8.218 33.291 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -24.531 7.911 33.712 1.00 0.00 H new ATOM 206 N ASP A 201 -23.669 8.240 29.583 1.00 0.00 N ATOM 207 CA ASP A 201 -23.999 9.620 29.210 1.00 0.00 C ATOM 208 C ASP A 201 -25.024 9.631 28.095 1.00 0.00 C ATOM 209 O ASP A 201 -26.012 10.366 28.072 1.00 0.00 O ATOM 210 CB ASP A 201 -22.732 10.334 28.721 1.00 0.00 C ATOM 211 CG ASP A 201 -22.721 11.841 28.978 1.00 0.00 C ATOM 212 OD1 ASP A 201 -23.696 12.394 29.551 1.00 0.00 O ATOM 213 OD2 ASP A 201 -21.748 12.497 28.549 1.00 0.00 O ATOM 0 H ASP A 201 -22.963 7.815 28.982 1.00 0.00 H new ATOM 0 HA ASP A 201 -24.407 10.130 30.083 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -21.866 9.888 29.209 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -22.620 10.159 27.651 1.00 0.00 H new ATOM 218 N TRP A 202 -24.759 8.722 27.172 1.00 0.00 N ATOM 219 CA TRP A 202 -25.503 8.416 25.967 1.00 0.00 C ATOM 220 C TRP A 202 -26.306 7.134 26.140 1.00 0.00 C ATOM 221 O TRP A 202 -27.074 6.782 25.254 1.00 0.00 O ATOM 222 CB TRP A 202 -24.534 8.281 24.796 1.00 0.00 C ATOM 223 CG TRP A 202 -23.084 8.398 25.100 1.00 0.00 C ATOM 224 CD1 TRP A 202 -22.360 7.350 25.508 1.00 0.00 C ATOM 225 CD2 TRP A 202 -22.178 9.535 25.066 1.00 0.00 C ATOM 226 NE1 TRP A 202 -21.033 7.710 25.592 1.00 0.00 N ATOM 227 CE2 TRP A 202 -20.869 9.065 25.382 1.00 0.00 C ATOM 228 CE3 TRP A 202 -22.326 10.905 24.775 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -19.757 9.917 25.406 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -21.216 11.767 24.773 1.00 0.00 C ATOM 231 CH2 TRP A 202 -19.936 11.271 25.079 1.00 0.00 C ATOM 0 H TRP A 202 -23.938 8.123 27.259 1.00 0.00 H new ATOM 0 HA TRP A 202 -26.203 9.227 25.766 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -24.704 7.312 24.326 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -24.787 9.042 24.058 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -22.755 6.371 25.737 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -20.271 7.060 25.784 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -23.306 11.299 24.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -18.780 9.540 25.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -21.346 12.813 24.536 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -19.085 11.936 25.062 1.00 0.00 H new ATOM 242 N ASP A 203 -26.019 6.413 27.226 1.00 0.00 N ATOM 243 CA ASP A 203 -26.268 5.012 27.478 1.00 0.00 C ATOM 244 C ASP A 203 -26.362 4.211 26.186 1.00 0.00 C ATOM 245 O ASP A 203 -27.446 3.925 25.674 1.00 0.00 O ATOM 246 CB ASP A 203 -27.408 4.766 28.463 1.00 0.00 C ATOM 247 CG ASP A 203 -27.182 3.454 29.216 1.00 0.00 C ATOM 248 OD1 ASP A 203 -26.182 2.752 28.954 1.00 0.00 O ATOM 249 OD2 ASP A 203 -27.957 3.183 30.161 1.00 0.00 O ATOM 0 H ASP A 203 -25.560 6.851 28.025 1.00 0.00 H new ATOM 0 HA ASP A 203 -25.392 4.623 27.998 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -27.472 5.593 29.170 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -28.358 4.728 27.929 1.00 0.00 H new ATOM 254 N GLU A 204 -25.184 3.982 25.600 1.00 0.00 N ATOM 255 CA GLU A 204 -24.976 3.140 24.425 1.00 0.00 C ATOM 256 C GLU A 204 -25.615 3.676 23.138 1.00 0.00 C ATOM 257 O GLU A 204 -25.437 3.110 22.055 1.00 0.00 O ATOM 258 CB GLU A 204 -25.266 1.689 24.831 1.00 0.00 C ATOM 259 CG GLU A 204 -24.203 0.759 24.224 1.00 0.00 C ATOM 260 CD GLU A 204 -24.337 -0.694 24.671 1.00 0.00 C ATOM 261 OE1 GLU A 204 -25.477 -1.199 24.763 1.00 0.00 O ATOM 262 OE2 GLU A 204 -23.287 -1.322 24.933 1.00 0.00 O ATOM 0 H GLU A 204 -24.318 4.395 25.946 1.00 0.00 H new ATOM 0 HA GLU A 204 -23.934 3.167 24.105 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -25.265 1.598 25.917 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -26.258 1.396 24.487 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -24.271 0.804 23.137 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -23.213 1.125 24.497 1.00 0.00 H new ATOM 269 N ARG A 205 -26.167 4.892 23.217 1.00 0.00 N ATOM 270 CA ARG A 205 -26.984 5.559 22.223 1.00 0.00 C ATOM 271 C ARG A 205 -28.174 4.657 21.888 1.00 0.00 C ATOM 272 O ARG A 205 -28.515 4.454 20.717 1.00 0.00 O ATOM 273 CB ARG A 205 -26.113 6.016 21.050 1.00 0.00 C ATOM 274 CG ARG A 205 -26.383 7.455 20.590 1.00 0.00 C ATOM 275 CD ARG A 205 -27.846 7.773 20.245 1.00 0.00 C ATOM 276 NE ARG A 205 -27.941 8.891 19.281 1.00 0.00 N ATOM 277 CZ ARG A 205 -29.007 9.171 18.515 1.00 0.00 C ATOM 278 NH1 ARG A 205 -30.155 8.535 18.685 1.00 0.00 N ATOM 279 NH2 ARG A 205 -28.911 10.094 17.564 1.00 0.00 N ATOM 0 H ARG A 205 -26.038 5.472 24.046 1.00 0.00 H new ATOM 0 HA ARG A 205 -27.422 6.486 22.592 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -25.064 5.928 21.335 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -26.273 5.341 20.209 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -26.056 8.137 21.375 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -25.768 7.660 19.714 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -28.324 6.887 19.826 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -28.389 8.028 21.155 1.00 0.00 H new ATOM 0 HE ARG A 205 -27.128 9.500 19.191 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -30.240 7.820 19.407 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -30.955 8.760 18.094 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -28.030 10.587 17.418 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -29.719 10.310 16.980 1.00 0.00 H new ATOM 293 N ALA A 206 -28.798 4.171 22.962 1.00 0.00 N ATOM 294 CA ALA A 206 -29.830 3.145 22.988 1.00 0.00 C ATOM 295 C ALA A 206 -29.236 1.812 22.526 1.00 0.00 C ATOM 296 O ALA A 206 -28.090 1.493 22.841 1.00 0.00 O ATOM 297 CB ALA A 206 -31.098 3.627 22.253 1.00 0.00 C ATOM 0 H ALA A 206 -28.577 4.510 23.898 1.00 0.00 H new ATOM 0 HA ALA A 206 -30.181 2.958 24.003 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -31.856 2.845 22.285 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -31.482 4.524 22.739 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -30.853 3.853 21.215 1.00 0.00 H new ATOM 408 N SER A 214 -23.363 0.557 10.850 1.00 0.00 N ATOM 409 CA SER A 214 -23.087 1.880 10.343 1.00 0.00 C ATOM 410 C SER A 214 -21.571 2.086 10.245 1.00 0.00 C ATOM 411 O SER A 214 -20.978 2.700 11.133 1.00 0.00 O ATOM 412 CB SER A 214 -23.675 2.890 11.331 1.00 0.00 C ATOM 413 OG SER A 214 -25.071 2.764 11.551 1.00 0.00 O ATOM 0 HA SER A 214 -23.525 2.010 9.354 1.00 0.00 H new ATOM 0 HB2 SER A 214 -23.160 2.785 12.286 1.00 0.00 H new ATOM 0 HB3 SER A 214 -23.468 3.896 10.966 1.00 0.00 H new ATOM 0 HG SER A 214 -25.339 1.830 11.425 1.00 0.00 H new ATOM 419 N LYS A 215 -20.966 1.673 9.131 1.00 0.00 N ATOM 420 CA LYS A 215 -19.548 1.881 8.826 1.00 0.00 C ATOM 421 C LYS A 215 -18.628 1.149 9.813 1.00 0.00 C ATOM 422 O LYS A 215 -18.246 1.705 10.845 1.00 0.00 O ATOM 423 CB LYS A 215 -19.195 3.369 8.711 1.00 0.00 C ATOM 424 CG LYS A 215 -19.105 3.781 7.253 1.00 0.00 C ATOM 425 CD LYS A 215 -18.595 5.216 7.137 1.00 0.00 C ATOM 426 CE LYS A 215 -18.485 5.657 5.674 1.00 0.00 C ATOM 427 NZ LYS A 215 -17.542 6.780 5.552 1.00 0.00 N ATOM 0 H LYS A 215 -21.462 1.170 8.395 1.00 0.00 H new ATOM 0 HA LYS A 215 -19.373 1.437 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -19.950 3.969 9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -18.245 3.563 9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -18.437 3.106 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -20.085 3.697 6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -19.269 5.887 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -17.619 5.296 7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -18.149 4.822 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -19.465 5.954 5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -17.475 7.071 4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -17.879 7.580 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -16.604 6.484 5.890 1.00 0.00 H new ATOM 441 N PRO A 216 -18.235 -0.090 9.493 1.00 0.00 N ATOM 442 CA PRO A 216 -17.385 -0.875 10.366 1.00 0.00 C ATOM 443 C PRO A 216 -15.965 -0.307 10.406 1.00 0.00 C ATOM 444 O PRO A 216 -15.560 0.453 9.519 1.00 0.00 O ATOM 445 CB PRO A 216 -17.442 -2.293 9.805 1.00 0.00 C ATOM 446 CG PRO A 216 -17.903 -2.159 8.356 1.00 0.00 C ATOM 447 CD PRO A 216 -18.598 -0.806 8.286 1.00 0.00 C ATOM 0 HA PRO A 216 -17.720 -0.857 11.403 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -16.465 -2.773 9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -18.133 -2.911 10.378 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -17.059 -2.205 7.668 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -18.582 -2.966 8.082 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -18.284 -0.255 7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -19.679 -0.929 8.219 1.00 0.00 H new ATOM 455 N GLU A 217 -15.171 -0.731 11.393 1.00 0.00 N ATOM 456 CA GLU A 217 -13.832 -0.190 11.665 1.00 0.00 C ATOM 457 C GLU A 217 -12.801 -0.562 10.594 1.00 0.00 C ATOM 458 O GLU A 217 -11.645 -0.150 10.649 1.00 0.00 O ATOM 459 CB GLU A 217 -13.323 -0.678 13.030 1.00 0.00 C ATOM 460 CG GLU A 217 -12.347 0.307 13.694 1.00 0.00 C ATOM 461 CD GLU A 217 -13.012 1.429 14.486 1.00 0.00 C ATOM 462 OE1 GLU A 217 -14.238 1.366 14.720 1.00 0.00 O ATOM 463 OE2 GLU A 217 -12.265 2.270 15.035 1.00 0.00 O ATOM 0 H GLU A 217 -15.443 -1.473 12.038 1.00 0.00 H new ATOM 0 HA GLU A 217 -13.941 0.895 11.660 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -14.174 -0.840 13.692 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -12.829 -1.641 12.904 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -11.689 -0.249 14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -11.718 0.750 12.922 1.00 0.00 H new ATOM 470 N ASP A 218 -13.207 -1.348 9.606 1.00 0.00 N ATOM 471 CA ASP A 218 -12.343 -1.806 8.526 1.00 0.00 C ATOM 472 C ASP A 218 -12.918 -1.446 7.155 1.00 0.00 C ATOM 473 O ASP A 218 -12.298 -1.773 6.138 1.00 0.00 O ATOM 474 CB ASP A 218 -12.059 -3.312 8.687 1.00 0.00 C ATOM 475 CG ASP A 218 -10.635 -3.700 8.288 1.00 0.00 C ATOM 476 OD1 ASP A 218 -9.678 -2.985 8.653 1.00 0.00 O ATOM 477 OD2 ASP A 218 -10.439 -4.782 7.685 1.00 0.00 O ATOM 0 H ASP A 218 -14.164 -1.692 9.531 1.00 0.00 H new ATOM 0 HA ASP A 218 -11.387 -1.285 8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -12.230 -3.599 9.725 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -12.767 -3.876 8.079 1.00 0.00 H new ATOM 482 N TRP A 219 -14.075 -0.759 7.089 1.00 0.00 N ATOM 483 CA TRP A 219 -14.563 -0.280 5.799 1.00 0.00 C ATOM 484 C TRP A 219 -13.652 0.822 5.301 1.00 0.00 C ATOM 485 O TRP A 219 -13.231 0.723 4.152 1.00 0.00 O ATOM 486 CB TRP A 219 -16.025 0.180 5.782 1.00 0.00 C ATOM 487 CG TRP A 219 -16.512 0.622 4.428 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.308 1.838 3.863 1.00 0.00 C ATOM 489 CD2 TRP A 219 -17.260 -0.142 3.435 1.00 0.00 C ATOM 490 NE1 TRP A 219 -16.938 1.906 2.635 1.00 0.00 N ATOM 491 CE2 TRP A 219 -17.546 0.715 2.334 1.00 0.00 C ATOM 492 CE3 TRP A 219 -17.729 -1.469 3.339 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.318 0.316 1.243 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -18.442 -1.906 2.206 1.00 0.00 C ATOM 495 CH2 TRP A 219 -18.760 -1.014 1.167 1.00 0.00 C ATOM 0 H TRP A 219 -14.666 -0.533 7.889 1.00 0.00 H new ATOM 0 HA TRP A 219 -14.541 -1.141 5.131 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -16.656 -0.636 6.135 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -16.144 1.003 6.486 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -15.736 2.638 4.309 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -16.949 2.730 2.034 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -17.538 -2.160 4.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -18.573 1.022 0.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -18.748 -2.939 2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -19.339 -1.349 0.319 1.00 0.00 H new ATOM 506 N ASP A 220 -13.383 1.822 6.154 1.00 0.00 N ATOM 507 CA ASP A 220 -12.811 3.136 5.844 1.00 0.00 C ATOM 508 C ASP A 220 -11.384 3.049 5.329 1.00 0.00 C ATOM 509 O ASP A 220 -10.415 3.402 6.010 1.00 0.00 O ATOM 510 CB ASP A 220 -12.876 4.044 7.080 1.00 0.00 C ATOM 511 CG ASP A 220 -12.750 5.505 6.689 1.00 0.00 C ATOM 512 OD1 ASP A 220 -13.611 5.953 5.895 1.00 0.00 O ATOM 513 OD2 ASP A 220 -11.852 6.204 7.196 1.00 0.00 O ATOM 0 H ASP A 220 -13.575 1.724 7.151 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.411 3.565 5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -13.818 3.884 7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -12.077 3.779 7.773 1.00 0.00 H new ATOM 518 N LYS A 221 -11.236 2.483 4.136 1.00 0.00 N ATOM 519 CA LYS A 221 -9.929 2.141 3.656 1.00 0.00 C ATOM 520 C LYS A 221 -9.245 3.402 3.187 1.00 0.00 C ATOM 521 O LYS A 221 -9.866 4.193 2.476 1.00 0.00 O ATOM 522 CB LYS A 221 -9.958 1.041 2.594 1.00 0.00 C ATOM 523 CG LYS A 221 -9.209 -0.224 3.049 1.00 0.00 C ATOM 524 CD LYS A 221 -9.490 -0.678 4.496 1.00 0.00 C ATOM 525 CE LYS A 221 -8.395 -0.411 5.531 1.00 0.00 C ATOM 526 NZ LYS A 221 -7.255 -1.334 5.402 1.00 0.00 N ATOM 0 H LYS A 221 -12.002 2.259 3.501 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.348 1.710 4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.993 0.786 2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.511 1.415 1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -9.467 -1.040 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -8.138 -0.049 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -10.403 -0.188 4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -9.690 -1.749 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -8.041 0.614 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -8.817 -0.499 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -6.543 -1.110 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -7.584 -2.312 5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -6.832 -1.233 4.457 1.00 0.00 H new ATOM 540 N PRO A 222 -7.965 3.546 3.546 1.00 0.00 N ATOM 541 CA PRO A 222 -7.181 4.647 3.057 1.00 0.00 C ATOM 542 C PRO A 222 -7.199 4.630 1.539 1.00 0.00 C ATOM 543 O PRO A 222 -7.124 3.567 0.913 1.00 0.00 O ATOM 544 CB PRO A 222 -5.760 4.451 3.606 1.00 0.00 C ATOM 545 CG PRO A 222 -5.838 3.285 4.598 1.00 0.00 C ATOM 546 CD PRO A 222 -7.185 2.612 4.340 1.00 0.00 C ATOM 0 HA PRO A 222 -7.573 5.612 3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.059 4.230 2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -5.405 5.357 4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.016 2.586 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.768 3.640 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.053 1.668 3.811 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.691 2.383 5.278 1.00 0.00 H new ATOM 554 N GLU A 223 -7.298 5.820 0.966 1.00 0.00 N ATOM 555 CA GLU A 223 -7.217 6.054 -0.460 1.00 0.00 C ATOM 556 C GLU A 223 -5.801 5.708 -0.905 1.00 0.00 C ATOM 557 O GLU A 223 -5.624 5.029 -1.913 1.00 0.00 O ATOM 558 CB GLU A 223 -7.527 7.524 -0.790 1.00 0.00 C ATOM 559 CG GLU A 223 -8.858 8.045 -0.228 1.00 0.00 C ATOM 560 CD GLU A 223 -8.861 8.383 1.270 1.00 0.00 C ATOM 561 OE1 GLU A 223 -7.784 8.391 1.911 1.00 0.00 O ATOM 562 OE2 GLU A 223 -9.968 8.615 1.803 1.00 0.00 O ATOM 0 H GLU A 223 -7.442 6.675 1.503 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.948 5.436 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.719 8.146 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.535 7.644 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -9.141 8.939 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.628 7.296 -0.414 1.00 0.00 H new ATOM 569 N HIS A 224 -4.806 6.159 -0.140 1.00 0.00 N ATOM 570 CA HIS A 224 -3.394 5.918 -0.373 1.00 0.00 C ATOM 571 C HIS A 224 -2.893 4.912 0.655 1.00 0.00 C ATOM 572 O HIS A 224 -2.846 5.193 1.855 1.00 0.00 O ATOM 573 CB HIS A 224 -2.634 7.244 -0.393 1.00 0.00 C ATOM 574 CG HIS A 224 -3.073 8.079 -1.568 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.994 9.102 -1.539 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.752 7.839 -2.878 1.00 0.00 C ATOM 577 CE1 HIS A 224 -4.216 9.473 -2.810 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.480 8.740 -3.660 1.00 0.00 N ATOM 0 H HIS A 224 -4.976 6.725 0.691 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.219 5.474 -1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.812 7.787 0.535 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.562 7.056 -0.452 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -2.063 7.091 -3.240 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -4.896 10.257 -3.109 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.457 8.824 -4.676 1.00 0.00 H new ATOM 586 N ILE A 225 -2.526 3.725 0.181 1.00 0.00 N ATOM 587 CA ILE A 225 -1.964 2.651 0.989 1.00 0.00 C ATOM 588 C ILE A 225 -0.493 2.455 0.616 1.00 0.00 C ATOM 589 O ILE A 225 -0.127 2.722 -0.528 1.00 0.00 O ATOM 590 CB ILE A 225 -2.773 1.355 0.802 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.789 0.858 -0.664 1.00 0.00 C ATOM 592 CG2 ILE A 225 -4.207 1.580 1.316 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.261 -0.592 -0.807 1.00 0.00 C ATOM 0 H ILE A 225 -2.615 3.478 -0.805 1.00 0.00 H new ATOM 0 HA ILE A 225 -2.021 2.918 2.044 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.284 0.571 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.440 1.504 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.787 0.949 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.787 0.666 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -4.177 1.845 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.673 2.388 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.248 -0.877 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.596 -1.248 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.275 -0.685 -0.418 1.00 0.00 H new ATOM 605 N PRO A 226 0.362 1.980 1.529 1.00 0.00 N ATOM 606 CA PRO A 226 1.725 1.642 1.174 1.00 0.00 C ATOM 607 C PRO A 226 1.677 0.408 0.269 1.00 0.00 C ATOM 608 O PRO A 226 0.921 -0.526 0.547 1.00 0.00 O ATOM 609 CB PRO A 226 2.435 1.408 2.505 1.00 0.00 C ATOM 610 CG PRO A 226 1.333 1.025 3.495 1.00 0.00 C ATOM 611 CD PRO A 226 0.038 1.548 2.877 1.00 0.00 C ATOM 0 HA PRO A 226 2.262 2.410 0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.178 0.615 2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 226 2.962 2.305 2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.292 -0.055 3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 226 1.510 1.471 4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.725 0.770 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -0.363 2.375 3.462 1.00 0.00 H new ATOM 619 N ASP A 227 2.467 0.410 -0.803 1.00 0.00 N ATOM 620 CA ASP A 227 2.510 -0.629 -1.818 1.00 0.00 C ATOM 621 C ASP A 227 2.724 -1.986 -1.148 1.00 0.00 C ATOM 622 O ASP A 227 3.767 -2.181 -0.513 1.00 0.00 O ATOM 623 CB ASP A 227 3.625 -0.320 -2.821 1.00 0.00 C ATOM 624 CG ASP A 227 3.621 -1.258 -4.026 1.00 0.00 C ATOM 625 OD1 ASP A 227 3.280 -2.447 -3.876 1.00 0.00 O ATOM 626 OD2 ASP A 227 3.997 -0.776 -5.123 1.00 0.00 O ATOM 0 H ASP A 227 3.121 1.170 -0.992 1.00 0.00 H new ATOM 0 HA ASP A 227 1.565 -0.662 -2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.520 0.708 -3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.589 -0.389 -2.317 1.00 0.00 H new ATOM 631 N PRO A 228 1.742 -2.903 -1.200 1.00 0.00 N ATOM 632 CA PRO A 228 1.850 -4.182 -0.527 1.00 0.00 C ATOM 633 C PRO A 228 2.678 -5.189 -1.327 1.00 0.00 C ATOM 634 O PRO A 228 3.113 -6.198 -0.761 1.00 0.00 O ATOM 635 CB PRO A 228 0.405 -4.657 -0.363 1.00 0.00 C ATOM 636 CG PRO A 228 -0.285 -4.091 -1.607 1.00 0.00 C ATOM 637 CD PRO A 228 0.447 -2.772 -1.850 1.00 0.00 C ATOM 0 HA PRO A 228 2.368 -4.088 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.339 -5.744 -0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -0.043 -4.278 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.193 -4.765 -2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.350 -3.934 -1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.564 -2.582 -2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -0.113 -1.933 -1.437 1.00 0.00 H new ATOM 645 N ASP A 229 2.875 -4.939 -2.620 1.00 0.00 N ATOM 646 CA ASP A 229 3.567 -5.832 -3.544 1.00 0.00 C ATOM 647 C ASP A 229 5.069 -5.596 -3.450 1.00 0.00 C ATOM 648 O ASP A 229 5.850 -6.553 -3.446 1.00 0.00 O ATOM 649 CB ASP A 229 3.066 -5.568 -4.968 1.00 0.00 C ATOM 650 CG ASP A 229 3.559 -6.605 -5.970 1.00 0.00 C ATOM 651 OD1 ASP A 229 4.684 -6.466 -6.493 1.00 0.00 O ATOM 652 OD2 ASP A 229 2.763 -7.509 -6.323 1.00 0.00 O ATOM 0 H ASP A 229 2.547 -4.082 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 229 3.362 -6.871 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 229 1.976 -5.558 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 229 3.394 -4.578 -5.286 1.00 0.00 H new ATOM 657 N ALA A 230 5.477 -4.329 -3.317 1.00 0.00 N ATOM 658 CA ALA A 230 6.870 -3.979 -3.105 1.00 0.00 C ATOM 659 C ALA A 230 7.233 -4.329 -1.659 1.00 0.00 C ATOM 660 O ALA A 230 6.465 -4.020 -0.745 1.00 0.00 O ATOM 661 CB ALA A 230 7.079 -2.497 -3.418 1.00 0.00 C ATOM 0 H ALA A 230 4.848 -3.527 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 230 7.527 -4.539 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.125 -2.235 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 230 6.811 -2.303 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.450 -1.894 -2.762 1.00 0.00 H new ATOM 667 N LYS A 231 8.380 -4.968 -1.419 1.00 0.00 N ATOM 668 CA LYS A 231 8.702 -5.557 -0.111 1.00 0.00 C ATOM 669 C LYS A 231 10.139 -5.315 0.346 1.00 0.00 C ATOM 670 O LYS A 231 10.701 -6.134 1.066 1.00 0.00 O ATOM 671 CB LYS A 231 8.345 -7.066 -0.172 1.00 0.00 C ATOM 672 CG LYS A 231 6.894 -7.363 0.218 1.00 0.00 C ATOM 673 CD LYS A 231 6.732 -7.360 1.745 1.00 0.00 C ATOM 674 CE LYS A 231 6.917 -8.753 2.357 1.00 0.00 C ATOM 675 NZ LYS A 231 6.761 -8.720 3.825 1.00 0.00 N ATOM 0 H LYS A 231 9.110 -5.093 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 231 8.106 -5.056 0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.525 -7.434 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 231 9.012 -7.617 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 231 6.233 -6.618 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 231 6.595 -8.332 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 231 7.458 -6.675 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 231 5.742 -6.982 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 231 6.189 -9.441 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 231 7.905 -9.136 2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 6.892 -9.677 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 7.472 -8.082 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 5.809 -8.378 4.065 1.00 0.00 H new ATOM 689 N LYS A 232 10.707 -4.161 0.004 1.00 0.00 N ATOM 690 CA LYS A 232 12.118 -3.829 0.039 1.00 0.00 C ATOM 691 C LYS A 232 12.890 -4.809 -0.851 1.00 0.00 C ATOM 692 O LYS A 232 12.839 -6.024 -0.630 1.00 0.00 O ATOM 693 CB LYS A 232 12.664 -3.730 1.465 1.00 0.00 C ATOM 694 CG LYS A 232 14.086 -3.140 1.428 1.00 0.00 C ATOM 695 CD LYS A 232 14.695 -2.792 2.794 1.00 0.00 C ATOM 696 CE LYS A 232 15.401 -4.000 3.417 1.00 0.00 C ATOM 697 NZ LYS A 232 16.640 -3.636 4.138 1.00 0.00 N ATOM 0 H LYS A 232 10.145 -3.378 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 232 12.258 -2.828 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.013 -3.101 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 232 12.679 -4.716 1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 232 14.743 -3.852 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.070 -2.238 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 232 15.405 -1.973 2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 232 13.911 -2.442 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 232 14.719 -4.497 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 232 15.641 -4.718 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 17.127 -4.500 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 17.264 -3.097 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 16.401 -3.055 4.967 1.00 0.00 H new ATOM 711 N PRO A 233 13.559 -4.310 -1.898 1.00 0.00 N ATOM 712 CA PRO A 233 14.314 -5.171 -2.784 1.00 0.00 C ATOM 713 C PRO A 233 15.391 -5.922 -1.994 1.00 0.00 C ATOM 714 O PRO A 233 15.965 -5.396 -1.042 1.00 0.00 O ATOM 715 CB PRO A 233 14.880 -4.266 -3.886 1.00 0.00 C ATOM 716 CG PRO A 233 14.592 -2.828 -3.457 1.00 0.00 C ATOM 717 CD PRO A 233 13.610 -2.917 -2.306 1.00 0.00 C ATOM 0 HA PRO A 233 13.699 -5.947 -3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 233 15.951 -4.427 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.413 -4.485 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.508 -2.323 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.173 -2.252 -4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 233 13.928 -2.284 -1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.624 -2.569 -2.613 1.00 0.00 H new ATOM 725 N GLU A 234 15.720 -7.138 -2.431 1.00 0.00 N ATOM 726 CA GLU A 234 16.931 -7.843 -2.005 1.00 0.00 C ATOM 727 C GLU A 234 18.170 -7.030 -2.403 1.00 0.00 C ATOM 728 O GLU A 234 19.187 -7.054 -1.717 1.00 0.00 O ATOM 729 CB GLU A 234 16.917 -9.234 -2.661 1.00 0.00 C ATOM 730 CG GLU A 234 18.098 -10.128 -2.266 1.00 0.00 C ATOM 731 CD GLU A 234 17.743 -11.600 -2.479 1.00 0.00 C ATOM 732 OE1 GLU A 234 17.642 -12.054 -3.639 1.00 0.00 O ATOM 733 OE2 GLU A 234 17.448 -12.268 -1.456 1.00 0.00 O ATOM 0 H GLU A 234 15.151 -7.665 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 234 16.963 -7.961 -0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 234 15.989 -9.739 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 234 16.915 -9.112 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 234 18.974 -9.868 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 234 18.359 -9.957 -1.222 1.00 0.00 H new ATOM 740 N ASP A 235 18.024 -6.275 -3.493 1.00 0.00 N ATOM 741 CA ASP A 235 18.956 -5.343 -4.114 1.00 0.00 C ATOM 742 C ASP A 235 18.983 -3.992 -3.372 1.00 0.00 C ATOM 743 O ASP A 235 19.709 -3.088 -3.776 1.00 0.00 O ATOM 744 CB ASP A 235 18.470 -5.213 -5.571 1.00 0.00 C ATOM 745 CG ASP A 235 19.275 -4.277 -6.471 1.00 0.00 C ATOM 746 OD1 ASP A 235 20.380 -4.683 -6.885 1.00 0.00 O ATOM 747 OD2 ASP A 235 18.694 -3.233 -6.858 1.00 0.00 O ATOM 0 H ASP A 235 17.150 -6.309 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 235 19.986 -5.696 -4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 235 18.470 -6.205 -6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 235 17.436 -4.869 -5.558 1.00 0.00 H new ATOM 752 N TRP A 236 18.194 -3.810 -2.298 1.00 0.00 N ATOM 753 CA TRP A 236 18.268 -2.595 -1.490 1.00 0.00 C ATOM 754 C TRP A 236 19.478 -2.654 -0.567 1.00 0.00 C ATOM 755 O TRP A 236 19.886 -3.738 -0.138 1.00 0.00 O ATOM 756 CB TRP A 236 17.026 -2.395 -0.606 1.00 0.00 C ATOM 757 CG TRP A 236 16.944 -1.035 0.020 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.307 -0.708 1.282 1.00 0.00 C ATOM 759 CD2 TRP A 236 16.573 0.217 -0.625 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.228 0.664 1.434 1.00 0.00 N ATOM 761 CE2 TRP A 236 16.738 1.279 0.306 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.123 0.558 -1.914 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.431 2.609 -0.011 1.00 0.00 C ATOM 764 CZ3 TRP A 236 15.809 1.889 -2.251 1.00 0.00 C ATOM 765 CH2 TRP A 236 15.954 2.914 -1.296 1.00 0.00 C ATOM 0 H TRP A 236 17.504 -4.489 -1.977 1.00 0.00 H new ATOM 0 HA TRP A 236 18.340 -1.766 -2.194 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.132 -2.563 -1.207 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.027 -3.148 0.182 1.00 0.00 H new ATOM 0 HD1 TRP A 236 17.610 -1.407 2.048 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.501 1.161 2.282 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.016 -0.216 -2.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.560 3.390 0.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.456 2.124 -3.244 1.00 0.00 H new ATOM 0 HH2 TRP A 236 15.699 3.932 -1.551 1.00 0.00 H new ATOM 776 N ASP A 237 19.938 -1.495 -0.099 1.00 0.00 N ATOM 777 CA ASP A 237 20.934 -1.408 0.952 1.00 0.00 C ATOM 778 C ASP A 237 20.718 -0.175 1.821 1.00 0.00 C ATOM 779 O ASP A 237 20.727 0.968 1.356 1.00 0.00 O ATOM 780 CB ASP A 237 22.316 -1.408 0.324 1.00 0.00 C ATOM 781 CG ASP A 237 23.424 -1.461 1.394 1.00 0.00 C ATOM 782 OD1 ASP A 237 23.103 -1.729 2.583 1.00 0.00 O ATOM 783 OD2 ASP A 237 24.600 -1.274 1.029 1.00 0.00 O ATOM 0 H ASP A 237 19.624 -0.588 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 237 20.839 -2.273 1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.413 -2.264 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.440 -0.513 -0.285 1.00 0.00 H new ATOM 788 N GLU A 238 20.499 -0.428 3.107 1.00 0.00 N ATOM 789 CA GLU A 238 20.287 0.600 4.110 1.00 0.00 C ATOM 790 C GLU A 238 21.558 1.384 4.426 1.00 0.00 C ATOM 791 O GLU A 238 21.461 2.509 4.910 1.00 0.00 O ATOM 792 CB GLU A 238 19.734 -0.044 5.382 1.00 0.00 C ATOM 793 CG GLU A 238 18.283 -0.508 5.199 1.00 0.00 C ATOM 794 CD GLU A 238 17.716 -1.112 6.484 1.00 0.00 C ATOM 795 OE1 GLU A 238 17.803 -0.465 7.553 1.00 0.00 O ATOM 796 OE2 GLU A 238 17.206 -2.256 6.409 1.00 0.00 O ATOM 0 H GLU A 238 20.464 -1.375 3.485 1.00 0.00 H new ATOM 0 HA GLU A 238 19.570 1.315 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 238 20.356 -0.895 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 238 19.787 0.670 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 238 17.667 0.337 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 238 18.235 -1.246 4.398 1.00 0.00 H new ATOM 803 N GLU A 239 22.740 0.833 4.138 1.00 0.00 N ATOM 804 CA GLU A 239 23.993 1.558 4.332 1.00 0.00 C ATOM 805 C GLU A 239 24.360 2.367 3.076 1.00 0.00 C ATOM 806 O GLU A 239 25.358 3.090 3.080 1.00 0.00 O ATOM 807 CB GLU A 239 25.106 0.597 4.791 1.00 0.00 C ATOM 808 CG GLU A 239 24.757 -0.099 6.129 1.00 0.00 C ATOM 809 CD GLU A 239 25.900 -0.105 7.148 1.00 0.00 C ATOM 810 OE1 GLU A 239 26.254 0.998 7.628 1.00 0.00 O ATOM 811 OE2 GLU A 239 26.349 -1.212 7.534 1.00 0.00 O ATOM 0 H GLU A 239 22.853 -0.112 3.770 1.00 0.00 H new ATOM 0 HA GLU A 239 23.866 2.288 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 239 25.273 -0.158 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.039 1.150 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 239 23.894 0.399 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 239 24.462 -1.128 5.925 1.00 0.00 H new ATOM 818 N MET A 240 23.548 2.282 2.016 1.00 0.00 N ATOM 819 CA MET A 240 23.785 2.924 0.732 1.00 0.00 C ATOM 820 C MET A 240 22.983 4.211 0.631 1.00 0.00 C ATOM 821 O MET A 240 23.562 5.276 0.412 1.00 0.00 O ATOM 822 CB MET A 240 23.426 1.938 -0.381 1.00 0.00 C ATOM 823 CG MET A 240 23.972 2.352 -1.749 1.00 0.00 C ATOM 824 SD MET A 240 23.510 1.224 -3.092 1.00 0.00 S ATOM 825 CE MET A 240 24.664 1.777 -4.371 1.00 0.00 C ATOM 0 H MET A 240 22.681 1.745 2.036 1.00 0.00 H new ATOM 0 HA MET A 240 24.836 3.195 0.632 1.00 0.00 H new ATOM 0 HB2 MET A 240 23.815 0.953 -0.124 1.00 0.00 H new ATOM 0 HB3 MET A 240 22.342 1.847 -0.442 1.00 0.00 H new ATOM 0 HG2 MET A 240 23.611 3.353 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 240 25.059 2.411 -1.694 1.00 0.00 H new ATOM 0 HE1 MET A 240 24.517 1.185 -5.274 1.00 0.00 H new ATOM 0 HE2 MET A 240 24.484 2.829 -4.593 1.00 0.00 H new ATOM 0 HE3 MET A 240 25.687 1.651 -4.017 1.00 0.00 H new ATOM 835 N ASP A 241 21.658 4.119 0.789 1.00 0.00 N ATOM 836 CA ASP A 241 20.786 5.296 0.815 1.00 0.00 C ATOM 837 C ASP A 241 20.291 5.537 2.235 1.00 0.00 C ATOM 838 O ASP A 241 20.300 6.669 2.728 1.00 0.00 O ATOM 839 CB ASP A 241 19.590 5.152 -0.149 1.00 0.00 C ATOM 840 CG ASP A 241 19.027 6.509 -0.611 1.00 0.00 C ATOM 841 OD1 ASP A 241 19.676 7.568 -0.427 1.00 0.00 O ATOM 842 OD2 ASP A 241 17.935 6.534 -1.226 1.00 0.00 O ATOM 0 H ASP A 241 21.164 3.234 0.902 1.00 0.00 H new ATOM 0 HA ASP A 241 21.371 6.152 0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 241 19.900 4.577 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.800 4.585 0.343 1.00 0.00 H new ATOM 847 N GLY A 242 19.895 4.458 2.910 1.00 0.00 N ATOM 848 CA GLY A 242 19.066 4.545 4.109 1.00 0.00 C ATOM 849 C GLY A 242 17.870 3.607 4.013 1.00 0.00 C ATOM 850 O GLY A 242 17.825 2.729 3.156 1.00 0.00 O ATOM 0 H GLY A 242 20.139 3.505 2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 242 19.661 4.293 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 242 18.720 5.570 4.243 1.00 0.00 H new ATOM 854 N GLU A 243 16.917 3.736 4.931 1.00 0.00 N ATOM 855 CA GLU A 243 15.781 2.839 5.054 1.00 0.00 C ATOM 856 C GLU A 243 14.806 3.021 3.897 1.00 0.00 C ATOM 857 O GLU A 243 14.310 4.120 3.657 1.00 0.00 O ATOM 858 CB GLU A 243 15.112 3.116 6.390 1.00 0.00 C ATOM 859 CG GLU A 243 13.942 2.185 6.716 1.00 0.00 C ATOM 860 CD GLU A 243 13.145 2.693 7.918 1.00 0.00 C ATOM 861 OE1 GLU A 243 13.587 2.487 9.072 1.00 0.00 O ATOM 862 OE2 GLU A 243 12.092 3.346 7.715 1.00 0.00 O ATOM 0 H GLU A 243 16.916 4.485 5.624 1.00 0.00 H new ATOM 0 HA GLU A 243 16.117 1.803 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 243 15.858 3.033 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 243 14.754 4.146 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 243 13.286 2.105 5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 243 14.319 1.183 6.924 1.00 0.00 H new ATOM 869 N TRP A 244 14.489 1.925 3.218 1.00 0.00 N ATOM 870 CA TRP A 244 13.459 1.883 2.196 1.00 0.00 C ATOM 871 C TRP A 244 12.089 2.243 2.790 1.00 0.00 C ATOM 872 O TRP A 244 11.778 1.865 3.922 1.00 0.00 O ATOM 873 CB TRP A 244 13.443 0.461 1.638 1.00 0.00 C ATOM 874 CG TRP A 244 12.490 0.222 0.522 1.00 0.00 C ATOM 875 CD1 TRP A 244 12.674 0.606 -0.757 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.187 -0.425 0.570 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.591 0.213 -1.511 1.00 0.00 N ATOM 878 CE2 TRP A 244 10.638 -0.415 -0.744 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.412 -1.015 1.590 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.385 -0.965 -1.033 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.168 -1.602 1.304 1.00 0.00 C ATOM 882 CH2 TRP A 244 8.656 -1.576 -0.003 1.00 0.00 C ATOM 0 H TRP A 244 14.950 1.027 3.367 1.00 0.00 H new ATOM 0 HA TRP A 244 13.668 2.607 1.409 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.447 0.213 1.294 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.205 -0.226 2.450 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.536 1.138 -1.132 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.506 0.369 -2.515 1.00 0.00 H new ATOM 0 HE3 TRP A 244 10.780 -1.016 2.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 8.985 -0.920 -2.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 8.603 -2.075 2.093 1.00 0.00 H new ATOM 0 HH2 TRP A 244 7.698 -2.028 -0.216 1.00 0.00 H new ATOM 893 N GLU A 245 11.239 2.900 2.009 1.00 0.00 N ATOM 894 CA GLU A 245 9.800 3.025 2.228 1.00 0.00 C ATOM 895 C GLU A 245 9.136 2.692 0.887 1.00 0.00 C ATOM 896 O GLU A 245 9.576 3.209 -0.150 1.00 0.00 O ATOM 897 CB GLU A 245 9.397 4.451 2.671 1.00 0.00 C ATOM 898 CG GLU A 245 9.258 4.651 4.194 1.00 0.00 C ATOM 899 CD GLU A 245 7.803 4.740 4.689 1.00 0.00 C ATOM 900 OE1 GLU A 245 7.158 5.811 4.605 1.00 0.00 O ATOM 901 OE2 GLU A 245 7.265 3.730 5.198 1.00 0.00 O ATOM 0 H GLU A 245 11.548 3.383 1.166 1.00 0.00 H new ATOM 0 HA GLU A 245 9.485 2.354 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 245 10.140 5.155 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 245 8.448 4.706 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 245 9.754 3.825 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 245 9.783 5.563 4.479 1.00 0.00 H new ATOM 908 N PRO A 246 8.070 1.875 0.886 1.00 0.00 N ATOM 909 CA PRO A 246 7.255 1.679 -0.298 1.00 0.00 C ATOM 910 C PRO A 246 6.600 3.004 -0.694 1.00 0.00 C ATOM 911 O PRO A 246 6.376 3.861 0.168 1.00 0.00 O ATOM 912 CB PRO A 246 6.182 0.647 0.063 1.00 0.00 C ATOM 913 CG PRO A 246 6.305 0.417 1.570 1.00 0.00 C ATOM 914 CD PRO A 246 7.458 1.282 2.059 1.00 0.00 C ATOM 0 HA PRO A 246 7.856 1.332 -1.139 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.188 1.012 -0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.334 -0.282 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 246 5.379 0.686 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 246 6.493 -0.635 1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.099 2.055 2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.182 0.683 2.611 1.00 0.00 H new ATOM 922 N PRO A 247 6.226 3.178 -1.968 1.00 0.00 N ATOM 923 CA PRO A 247 5.376 4.286 -2.364 1.00 0.00 C ATOM 924 C PRO A 247 3.990 4.126 -1.746 1.00 0.00 C ATOM 925 O PRO A 247 3.552 3.000 -1.490 1.00 0.00 O ATOM 926 CB PRO A 247 5.334 4.235 -3.887 1.00 0.00 C ATOM 927 CG PRO A 247 5.621 2.776 -4.236 1.00 0.00 C ATOM 928 CD PRO A 247 6.475 2.271 -3.076 1.00 0.00 C ATOM 0 HA PRO A 247 5.751 5.250 -2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.362 4.549 -4.267 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.077 4.900 -4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 247 4.700 2.201 -4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.149 2.691 -5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.207 1.248 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.532 2.264 -3.344 1.00 0.00 H new ATOM 936 N VAL A 248 3.286 5.241 -1.552 1.00 0.00 N ATOM 937 CA VAL A 248 1.883 5.206 -1.182 1.00 0.00 C ATOM 938 C VAL A 248 1.093 5.248 -2.486 1.00 0.00 C ATOM 939 O VAL A 248 1.053 6.271 -3.174 1.00 0.00 O ATOM 940 CB VAL A 248 1.467 6.325 -0.211 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.528 5.737 0.845 1.00 0.00 C ATOM 942 CG2 VAL A 248 2.602 7.027 0.535 1.00 0.00 C ATOM 0 H VAL A 248 3.672 6.180 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 248 1.674 4.295 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 248 1.004 7.081 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.226 6.521 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.355 5.324 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.044 4.947 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.188 7.795 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.150 6.299 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.279 7.489 -0.184 1.00 0.00 H new ATOM 952 N ILE A 249 0.520 4.114 -2.852 1.00 0.00 N ATOM 953 CA ILE A 249 -0.201 3.913 -4.093 1.00 0.00 C ATOM 954 C ILE A 249 -1.685 4.043 -3.802 1.00 0.00 C ATOM 955 O ILE A 249 -2.129 3.896 -2.660 1.00 0.00 O ATOM 956 CB ILE A 249 0.178 2.546 -4.701 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.357 1.353 -3.872 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.712 2.505 -4.836 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.180 -0.011 -4.548 1.00 0.00 C ATOM 0 H ILE A 249 0.547 3.277 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 249 0.066 4.664 -4.836 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.292 2.443 -5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.152 1.337 -2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.416 1.511 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 249 2.014 1.549 -5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 249 2.042 3.315 -5.487 1.00 0.00 H new ATOM 0 HG23 ILE A 249 2.167 2.622 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -0.581 -0.792 -3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -0.713 -0.018 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.880 -0.195 -4.725 1.00 0.00 H new ATOM 971 N GLN A 250 -2.469 4.284 -4.843 1.00 0.00 N ATOM 972 CA GLN A 250 -3.907 4.239 -4.720 1.00 0.00 C ATOM 973 C GLN A 250 -4.301 2.802 -4.383 1.00 0.00 C ATOM 974 O GLN A 250 -3.890 1.858 -5.056 1.00 0.00 O ATOM 975 CB GLN A 250 -4.562 4.723 -6.016 1.00 0.00 C ATOM 976 CG GLN A 250 -6.065 5.001 -5.866 1.00 0.00 C ATOM 977 CD GLN A 250 -6.365 6.416 -5.370 1.00 0.00 C ATOM 978 OE1 GLN A 250 -6.590 7.338 -6.149 1.00 0.00 O ATOM 979 NE2 GLN A 250 -6.408 6.635 -4.069 1.00 0.00 N ATOM 0 H GLN A 250 -2.129 4.512 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.253 4.901 -3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.062 5.632 -6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.413 3.973 -6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -6.555 4.848 -6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.495 4.280 -5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.222 5.873 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -6.627 7.566 -3.716 1.00 0.00 H new ATOM 988 N ASN A 251 -5.109 2.659 -3.339 1.00 0.00 N ATOM 989 CA ASN A 251 -5.752 1.422 -2.936 1.00 0.00 C ATOM 990 C ASN A 251 -6.485 0.846 -4.144 1.00 0.00 C ATOM 991 O ASN A 251 -7.372 1.539 -4.651 1.00 0.00 O ATOM 992 CB ASN A 251 -6.733 1.742 -1.802 1.00 0.00 C ATOM 993 CG ASN A 251 -7.080 0.533 -0.961 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.141 -0.591 -1.437 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.299 0.734 0.321 1.00 0.00 N ATOM 0 H ASN A 251 -5.342 3.440 -2.725 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.026 0.689 -2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.301 2.511 -1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.647 2.157 -2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -7.523 -0.053 0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -7.245 1.677 0.706 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.144 -0.355 -4.646 1.00 0.00 N ATOM 1003 CA PRO A 252 -6.657 -0.863 -5.919 1.00 0.00 C ATOM 1004 C PRO A 252 -8.075 -1.434 -5.751 1.00 0.00 C ATOM 1005 O PRO A 252 -8.407 -2.496 -6.275 1.00 0.00 O ATOM 1006 CB PRO A 252 -5.620 -1.923 -6.321 1.00 0.00 C ATOM 1007 CG PRO A 252 -5.233 -2.520 -4.969 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.157 -1.272 -4.097 1.00 0.00 C ATOM 0 HA PRO A 252 -6.768 -0.098 -6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -6.041 -2.672 -6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -4.764 -1.483 -6.832 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -5.976 -3.230 -4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -4.281 -3.049 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -5.376 -1.507 -3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.159 -0.835 -4.122 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.922 -0.716 -5.019 1.00 0.00 N ATOM 1017 CA GLU A 253 -10.309 -1.021 -4.729 1.00 0.00 C ATOM 1018 C GLU A 253 -10.994 0.253 -4.229 1.00 0.00 C ATOM 1019 O GLU A 253 -12.015 0.598 -4.816 1.00 0.00 O ATOM 1020 CB GLU A 253 -10.490 -2.264 -3.836 1.00 0.00 C ATOM 1021 CG GLU A 253 -9.648 -2.208 -2.573 1.00 0.00 C ATOM 1022 CD GLU A 253 -9.919 -3.398 -1.657 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -10.850 -3.358 -0.823 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -9.200 -4.420 -1.783 1.00 0.00 O ATOM 0 H GLU A 253 -8.629 0.158 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 253 -10.817 -1.327 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -11.541 -2.360 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -10.226 -3.156 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -8.592 -2.189 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -9.858 -1.282 -2.037 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.423 0.952 -3.222 1.00 0.00 N ATOM 1032 CA TYR A 254 -10.975 2.099 -2.479 1.00 0.00 C ATOM 1033 C TYR A 254 -12.507 2.114 -2.515 1.00 0.00 C ATOM 1034 O TYR A 254 -13.123 2.746 -3.377 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.365 3.450 -2.904 1.00 0.00 C ATOM 1036 CG TYR A 254 -10.940 4.689 -2.215 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -11.428 4.662 -0.885 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -11.010 5.892 -2.945 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -12.082 5.785 -0.337 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -11.650 7.021 -2.403 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.219 6.958 -1.113 1.00 0.00 C ATOM 1042 OH TYR A 254 -12.914 8.016 -0.617 1.00 0.00 O ATOM 0 H TYR A 254 -9.492 0.707 -2.884 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.678 1.960 -1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.292 3.418 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -10.495 3.563 -3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -11.298 3.773 -0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -10.568 5.948 -3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -12.475 5.749 0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -11.706 7.936 -2.974 1.00 0.00 H new ATOM 0 HH TYR A 254 -12.914 8.744 -1.273 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.120 1.432 -1.540 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.569 1.277 -1.404 1.00 0.00 C ATOM 1054 C LYS A 255 -15.309 2.601 -1.482 1.00 0.00 C ATOM 1055 O LYS A 255 -16.467 2.608 -1.910 1.00 0.00 O ATOM 1056 CB LYS A 255 -14.911 0.594 -0.078 1.00 0.00 C ATOM 1057 CG LYS A 255 -14.263 -0.786 0.107 1.00 0.00 C ATOM 1058 CD LYS A 255 -14.490 -1.250 1.548 1.00 0.00 C ATOM 1059 CE LYS A 255 -13.522 -2.386 1.880 1.00 0.00 C ATOM 1060 NZ LYS A 255 -13.221 -2.521 3.324 1.00 0.00 N ATOM 0 H LYS A 255 -12.601 0.958 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.893 0.660 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -14.600 1.242 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -15.993 0.487 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -14.695 -1.502 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -13.196 -0.734 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -14.340 -0.418 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -15.519 -1.587 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -13.942 -3.324 1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -12.590 -2.224 1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -12.426 -3.179 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -12.967 -1.591 3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -14.058 -2.888 3.820 1.00 0.00 H new ATOM 1074 N GLY A 256 -14.656 3.693 -1.086 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.273 4.988 -1.024 1.00 0.00 C ATOM 1076 C GLY A 256 -16.410 4.875 -0.043 1.00 0.00 C ATOM 1077 O GLY A 256 -16.240 4.415 1.094 1.00 0.00 O ATOM 0 H GLY A 256 -13.677 3.688 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -14.557 5.744 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.637 5.292 -2.006 1.00 0.00 H new ATOM 1081 N GLU A 257 -17.579 5.278 -0.507 1.00 0.00 N ATOM 1082 CA GLU A 257 -18.678 5.534 0.381 1.00 0.00 C ATOM 1083 C GLU A 257 -19.269 4.199 0.828 1.00 0.00 C ATOM 1084 O GLU A 257 -19.646 3.368 -0.002 1.00 0.00 O ATOM 1085 CB GLU A 257 -19.750 6.376 -0.338 1.00 0.00 C ATOM 1086 CG GLU A 257 -19.614 7.890 -0.157 1.00 0.00 C ATOM 1087 CD GLU A 257 -18.177 8.398 -0.239 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -17.553 8.354 -1.321 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -17.689 8.871 0.814 1.00 0.00 O ATOM 0 H GLU A 257 -17.783 5.432 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 257 -18.329 6.090 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -19.715 6.148 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -20.732 6.069 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -20.210 8.392 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -20.033 8.169 0.810 1.00 0.00 H new ATOM 1096 N TRP A 258 -19.375 3.992 2.138 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.137 2.882 2.699 1.00 0.00 C ATOM 1098 C TRP A 258 -21.626 3.052 2.439 1.00 0.00 C ATOM 1099 O TRP A 258 -22.130 4.159 2.207 1.00 0.00 O ATOM 1100 CB TRP A 258 -19.831 2.771 4.193 1.00 0.00 C ATOM 1101 CG TRP A 258 -20.761 1.955 5.024 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -20.634 0.670 5.420 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.021 2.420 5.562 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -21.738 0.328 6.181 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -22.637 1.366 6.278 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -22.714 3.635 5.457 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -23.886 1.529 6.886 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -23.978 3.792 6.031 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -24.552 2.757 6.785 1.00 0.00 C ATOM 0 H TRP A 258 -18.935 4.589 2.839 1.00 0.00 H new ATOM 0 HA TRP A 258 -19.840 1.954 2.210 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -18.829 2.356 4.302 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -19.805 3.779 4.607 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -19.807 0.017 5.182 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -21.870 -0.584 6.618 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -22.264 4.460 4.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -24.335 0.712 7.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -24.518 4.717 5.893 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -25.499 2.906 7.283 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.339 1.926 2.520 1.00 0.00 N ATOM 1121 CA LYS A 259 -23.780 1.845 2.431 1.00 0.00 C ATOM 1122 C LYS A 259 -24.244 0.700 3.330 1.00 0.00 C ATOM 1123 O LYS A 259 -23.536 -0.306 3.413 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.208 1.590 0.975 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.561 2.543 -0.047 1.00 0.00 C ATOM 1126 CD LYS A 259 -24.092 2.383 -1.486 1.00 0.00 C ATOM 1127 CE LYS A 259 -23.586 1.082 -2.127 1.00 0.00 C ATOM 1128 NZ LYS A 259 -24.052 0.886 -3.521 1.00 0.00 N ATOM 0 H LYS A 259 -21.901 1.015 2.655 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.233 2.782 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -23.957 0.564 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.292 1.681 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -23.726 3.571 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.484 2.378 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -25.182 2.386 -1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -23.777 3.234 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -22.496 1.080 -2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -23.914 0.237 -1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -23.674 -0.009 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -25.091 0.856 -3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -23.718 1.673 -4.113 1.00 0.00 H new ATOM 1142 N PRO A 260 -25.423 0.798 3.962 1.00 0.00 N ATOM 1143 CA PRO A 260 -25.979 -0.254 4.792 1.00 0.00 C ATOM 1144 C PRO A 260 -26.661 -1.297 3.903 1.00 0.00 C ATOM 1145 O PRO A 260 -27.891 -1.282 3.792 1.00 0.00 O ATOM 1146 CB PRO A 260 -26.971 0.453 5.723 1.00 0.00 C ATOM 1147 CG PRO A 260 -27.415 1.688 4.947 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.325 1.930 3.902 1.00 0.00 C ATOM 0 HA PRO A 260 -25.227 -0.790 5.371 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -27.818 -0.190 5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -26.502 0.726 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.383 1.526 4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -27.523 2.548 5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -26.759 2.025 2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -25.793 2.859 4.108 1.00 0.00 H new ATOM 1156 N ARG A 261 -25.882 -2.142 3.218 1.00 0.00 N ATOM 1157 CA ARG A 261 -26.304 -3.252 2.369 1.00 0.00 C ATOM 1158 C ARG A 261 -25.054 -3.777 1.697 1.00 0.00 C ATOM 1159 O ARG A 261 -24.643 -4.910 2.024 1.00 0.00 O ATOM 1160 CB ARG A 261 -27.360 -2.810 1.339 1.00 0.00 C ATOM 1161 CG ARG A 261 -28.750 -3.358 1.701 1.00 0.00 C ATOM 1162 CD ARG A 261 -29.867 -2.536 1.048 1.00 0.00 C ATOM 1163 NE ARG A 261 -30.687 -3.327 0.122 1.00 0.00 N ATOM 1164 CZ ARG A 261 -31.715 -4.111 0.457 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -32.102 -4.240 1.720 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -32.369 -4.775 -0.484 1.00 0.00 N ATOM 0 H ARG A 261 -24.866 -2.058 3.248 1.00 0.00 H new ATOM 0 HA ARG A 261 -26.782 -4.032 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -27.395 -1.721 1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -27.074 -3.161 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -28.827 -4.397 1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -28.875 -3.348 2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -30.506 -2.117 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -29.427 -1.696 0.510 1.00 0.00 H new ATOM 0 HE ARG A 261 -30.450 -3.273 -0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -31.611 -3.735 2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -32.890 -4.844 1.953 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -32.087 -4.687 -1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -33.155 -5.375 -0.232 1.00 0.00 H new