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+ -116:sc= 0.629 (180deg=-0.533!) USER MOD Single : A 214 SER OG : rot 180:sc= 0 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= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ -140:sc= -0.285 (180deg=-1.95!) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 250 GLN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 251 ASN : amide:sc= -4.99! C(o=-5!,f=-14!) USER MOD Single : A 254 TYR OH : rot -150:sc= 1.25 USER MOD Single : A 255 LYS NZ :NH3+ -138:sc= 1 (180deg=-0.0217) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -16.758 -18.280 1.326 1.00 0.00 N ATOM 124 CA ASP A 195 -16.048 -17.228 2.030 1.00 0.00 C ATOM 125 C ASP A 195 -16.417 -15.885 1.397 1.00 0.00 C ATOM 126 O ASP A 195 -15.717 -15.355 0.530 1.00 0.00 O ATOM 127 CB ASP A 195 -14.532 -17.471 1.993 1.00 0.00 C ATOM 128 CG ASP A 195 -13.973 -17.937 3.333 1.00 0.00 C ATOM 129 OD1 ASP A 195 -14.297 -19.059 3.779 1.00 0.00 O ATOM 130 OD2 ASP A 195 -13.194 -17.158 3.933 1.00 0.00 O ATOM 0 HA ASP A 195 -16.340 -17.222 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -14.307 -18.218 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -14.029 -16.551 1.695 1.00 0.00 H new ATOM 135 N ALA A 196 -17.528 -15.333 1.871 1.00 0.00 N ATOM 136 CA ALA A 196 -18.021 -13.982 1.628 1.00 0.00 C ATOM 137 C ALA A 196 -18.504 -13.707 0.196 1.00 0.00 C ATOM 138 O ALA A 196 -18.703 -12.539 -0.156 1.00 0.00 O ATOM 139 CB ALA A 196 -17.002 -12.934 2.110 1.00 0.00 C ATOM 0 H ALA A 196 -18.155 -15.858 2.481 1.00 0.00 H new ATOM 0 HA ALA A 196 -18.928 -13.894 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -17.391 -11.934 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -16.830 -13.058 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -16.062 -13.067 1.574 1.00 0.00 H new ATOM 145 N ALA A 197 -18.701 -14.742 -0.626 1.00 0.00 N ATOM 146 CA ALA A 197 -18.976 -14.602 -2.053 1.00 0.00 C ATOM 147 C ALA A 197 -20.137 -15.493 -2.533 1.00 0.00 C ATOM 148 O ALA A 197 -20.069 -16.003 -3.655 1.00 0.00 O ATOM 149 CB ALA A 197 -17.669 -14.869 -2.818 1.00 0.00 C ATOM 0 H ALA A 197 -18.673 -15.712 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 197 -19.317 -13.586 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -17.848 -14.771 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -16.912 -14.148 -2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -17.319 -15.878 -2.600 1.00 0.00 H new ATOM 155 N LYS A 198 -21.182 -15.696 -1.711 1.00 0.00 N ATOM 156 CA LYS A 198 -22.250 -16.689 -1.939 1.00 0.00 C ATOM 157 C LYS A 198 -23.570 -16.082 -2.472 1.00 0.00 C ATOM 158 O LYS A 198 -24.484 -15.828 -1.680 1.00 0.00 O ATOM 159 CB LYS A 198 -22.449 -17.523 -0.651 1.00 0.00 C ATOM 160 CG LYS A 198 -23.054 -16.777 0.560 1.00 0.00 C ATOM 161 CD LYS A 198 -22.318 -17.058 1.885 1.00 0.00 C ATOM 162 CE LYS A 198 -23.038 -16.429 3.093 1.00 0.00 C ATOM 163 NZ LYS A 198 -23.659 -17.438 3.980 1.00 0.00 N ATOM 0 H LYS A 198 -21.311 -15.163 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 198 -21.927 -17.348 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -23.093 -18.370 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -21.483 -17.930 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -23.035 -15.705 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -24.100 -17.063 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -22.237 -18.135 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -21.302 -16.667 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -22.325 -15.837 3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -23.807 -15.744 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -24.692 -17.314 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -23.423 -18.392 3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -23.299 -17.318 4.948 1.00 0.00 H new ATOM 177 N PRO A 199 -23.757 -15.858 -3.788 1.00 0.00 N ATOM 178 CA PRO A 199 -24.917 -15.146 -4.335 1.00 0.00 C ATOM 179 C PRO A 199 -26.195 -16.005 -4.396 1.00 0.00 C ATOM 180 O PRO A 199 -26.899 -16.014 -5.410 1.00 0.00 O ATOM 181 CB PRO A 199 -24.458 -14.644 -5.708 1.00 0.00 C ATOM 182 CG PRO A 199 -23.563 -15.789 -6.155 1.00 0.00 C ATOM 183 CD PRO A 199 -22.811 -16.096 -4.865 1.00 0.00 C ATOM 0 HA PRO A 199 -25.218 -14.323 -3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -25.294 -14.485 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -23.917 -13.700 -5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -24.136 -16.645 -6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -22.892 -15.496 -6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -22.458 -17.127 -4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -21.933 -15.458 -4.763 1.00 0.00 H new ATOM 191 N GLU A 200 -26.502 -16.746 -3.336 1.00 0.00 N ATOM 192 CA GLU A 200 -27.668 -17.621 -3.222 1.00 0.00 C ATOM 193 C GLU A 200 -28.178 -17.734 -1.791 1.00 0.00 C ATOM 194 O GLU A 200 -29.343 -18.063 -1.600 1.00 0.00 O ATOM 195 CB GLU A 200 -27.316 -19.009 -3.759 1.00 0.00 C ATOM 196 CG GLU A 200 -26.233 -19.736 -2.942 1.00 0.00 C ATOM 197 CD GLU A 200 -25.749 -21.018 -3.615 1.00 0.00 C ATOM 198 OE1 GLU A 200 -25.799 -21.109 -4.866 1.00 0.00 O ATOM 199 OE2 GLU A 200 -25.224 -21.892 -2.894 1.00 0.00 O ATOM 0 H GLU A 200 -25.922 -16.755 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 200 -28.470 -17.177 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -28.218 -19.621 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -26.977 -18.914 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -25.386 -19.067 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -26.628 -19.976 -1.955 1.00 0.00 H new ATOM 206 N ASP A 201 -27.339 -17.431 -0.795 1.00 0.00 N ATOM 207 CA ASP A 201 -27.710 -17.525 0.627 1.00 0.00 C ATOM 208 C ASP A 201 -27.376 -16.254 1.411 1.00 0.00 C ATOM 209 O ASP A 201 -27.952 -16.015 2.478 1.00 0.00 O ATOM 210 CB ASP A 201 -27.137 -18.812 1.250 1.00 0.00 C ATOM 211 CG ASP A 201 -26.042 -18.638 2.301 1.00 0.00 C ATOM 212 OD1 ASP A 201 -26.285 -18.118 3.411 1.00 0.00 O ATOM 213 OD2 ASP A 201 -24.892 -19.055 2.041 1.00 0.00 O ATOM 0 H ASP A 201 -26.382 -17.113 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 201 -28.796 -17.601 0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -27.959 -19.365 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -26.741 -19.432 0.446 1.00 0.00 H new ATOM 218 N TRP A 202 -26.513 -15.384 0.866 1.00 0.00 N ATOM 219 CA TRP A 202 -26.282 -14.079 1.471 1.00 0.00 C ATOM 220 C TRP A 202 -27.544 -13.209 1.481 1.00 0.00 C ATOM 221 O TRP A 202 -27.669 -12.359 2.355 1.00 0.00 O ATOM 222 CB TRP A 202 -25.122 -13.336 0.801 1.00 0.00 C ATOM 223 CG TRP A 202 -25.376 -12.741 -0.550 1.00 0.00 C ATOM 224 CD1 TRP A 202 -26.122 -13.286 -1.537 1.00 0.00 C ATOM 225 CD2 TRP A 202 -24.898 -11.467 -1.078 1.00 0.00 C ATOM 226 NE1 TRP A 202 -26.190 -12.417 -2.595 1.00 0.00 N ATOM 227 CE2 TRP A 202 -25.427 -11.295 -2.390 1.00 0.00 C ATOM 228 CE3 TRP A 202 -24.069 -10.438 -0.584 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -25.156 -10.165 -3.171 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -23.800 -9.291 -1.355 1.00 0.00 C ATOM 231 CH2 TRP A 202 -24.346 -9.149 -2.642 1.00 0.00 C ATOM 0 H TRP A 202 -25.974 -15.563 0.019 1.00 0.00 H new ATOM 0 HA TRP A 202 -26.007 -14.271 2.508 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -24.805 -12.535 1.468 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -24.284 -14.028 0.713 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -26.592 -14.257 -1.498 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -26.743 -12.585 -3.436 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -23.634 -10.531 0.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -25.565 -10.077 -4.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -23.168 -8.513 -0.953 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -24.143 -8.261 -3.222 1.00 0.00 H new ATOM 242 N ASP A 203 -28.462 -13.408 0.529 1.00 0.00 N ATOM 243 CA ASP A 203 -29.660 -12.606 0.291 1.00 0.00 C ATOM 244 C ASP A 203 -29.346 -11.106 0.232 1.00 0.00 C ATOM 245 O ASP A 203 -29.957 -10.299 0.933 1.00 0.00 O ATOM 246 CB ASP A 203 -30.729 -12.980 1.321 1.00 0.00 C ATOM 247 CG ASP A 203 -32.125 -12.500 0.935 1.00 0.00 C ATOM 248 OD1 ASP A 203 -32.562 -12.713 -0.218 1.00 0.00 O ATOM 249 OD2 ASP A 203 -32.862 -12.107 1.873 1.00 0.00 O ATOM 0 H ASP A 203 -28.381 -14.179 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 203 -30.064 -12.835 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -30.744 -14.063 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -30.459 -12.554 2.287 1.00 0.00 H new ATOM 254 N GLU A 204 -28.331 -10.726 -0.562 1.00 0.00 N ATOM 255 CA GLU A 204 -27.828 -9.344 -0.667 1.00 0.00 C ATOM 256 C GLU A 204 -27.376 -8.798 0.698 1.00 0.00 C ATOM 257 O GLU A 204 -27.283 -7.594 0.929 1.00 0.00 O ATOM 258 CB GLU A 204 -28.825 -8.502 -1.495 1.00 0.00 C ATOM 259 CG GLU A 204 -28.412 -8.442 -2.977 1.00 0.00 C ATOM 260 CD GLU A 204 -29.599 -8.247 -3.928 1.00 0.00 C ATOM 261 OE1 GLU A 204 -30.330 -7.229 -3.825 1.00 0.00 O ATOM 262 OE2 GLU A 204 -29.807 -9.124 -4.800 1.00 0.00 O ATOM 0 H GLU A 204 -27.828 -11.381 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 204 -26.899 -9.294 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -29.824 -8.931 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -28.876 -7.492 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -27.704 -7.625 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -27.892 -9.363 -3.240 1.00 0.00 H new ATOM 269 N ARG A 205 -27.010 -9.719 1.598 1.00 0.00 N ATOM 270 CA ARG A 205 -26.523 -9.510 2.957 1.00 0.00 C ATOM 271 C ARG A 205 -27.597 -8.930 3.884 1.00 0.00 C ATOM 272 O ARG A 205 -27.292 -8.511 5.003 1.00 0.00 O ATOM 273 CB ARG A 205 -25.205 -8.728 2.905 1.00 0.00 C ATOM 274 CG ARG A 205 -24.308 -8.988 4.114 1.00 0.00 C ATOM 275 CD ARG A 205 -22.980 -9.651 3.715 1.00 0.00 C ATOM 276 NE ARG A 205 -21.961 -9.489 4.765 1.00 0.00 N ATOM 277 CZ ARG A 205 -22.105 -9.881 6.035 1.00 0.00 C ATOM 278 NH1 ARG A 205 -23.024 -10.785 6.363 1.00 0.00 N ATOM 279 NH2 ARG A 205 -21.340 -9.363 6.982 1.00 0.00 N ATOM 0 H ARG A 205 -27.053 -10.712 1.369 1.00 0.00 H new ATOM 0 HA ARG A 205 -26.297 -10.470 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -24.666 -8.995 1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -25.424 -7.662 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -24.104 -8.046 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -24.833 -9.627 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -23.144 -10.712 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -22.618 -9.213 2.785 1.00 0.00 H new ATOM 0 HE ARG A 205 -21.080 -9.045 4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -23.626 -11.185 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -23.127 -11.078 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -20.638 -8.662 6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -21.452 -9.664 7.950 1.00 0.00 H new ATOM 293 N ALA A 206 -28.854 -8.954 3.434 1.00 0.00 N ATOM 294 CA ALA A 206 -30.024 -8.372 4.071 1.00 0.00 C ATOM 295 C ALA A 206 -29.860 -6.860 4.287 1.00 0.00 C ATOM 296 O ALA A 206 -30.210 -6.337 5.354 1.00 0.00 O ATOM 297 CB ALA A 206 -30.410 -9.161 5.331 1.00 0.00 C ATOM 0 H ALA A 206 -29.091 -9.413 2.555 1.00 0.00 H new ATOM 0 HA ALA A 206 -30.876 -8.463 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -31.288 -8.707 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -30.635 -10.192 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -29.581 -9.145 6.039 1.00 0.00 H new ATOM 408 N SER A 214 -24.948 3.445 7.824 1.00 0.00 N ATOM 409 CA SER A 214 -24.117 4.504 7.312 1.00 0.00 C ATOM 410 C SER A 214 -22.696 4.151 7.700 1.00 0.00 C ATOM 411 O SER A 214 -22.275 4.434 8.824 1.00 0.00 O ATOM 412 CB SER A 214 -24.596 5.855 7.857 1.00 0.00 C ATOM 413 OG SER A 214 -24.372 6.867 6.903 1.00 0.00 O ATOM 0 HA SER A 214 -24.172 4.602 6.228 1.00 0.00 H new ATOM 0 HB2 SER A 214 -25.657 5.802 8.101 1.00 0.00 H new ATOM 0 HB3 SER A 214 -24.068 6.092 8.781 1.00 0.00 H new ATOM 0 HG SER A 214 -24.682 7.726 7.258 1.00 0.00 H new ATOM 419 N LYS A 215 -21.998 3.531 6.746 1.00 0.00 N ATOM 420 CA LYS A 215 -20.659 2.983 6.848 1.00 0.00 C ATOM 421 C LYS A 215 -20.577 1.844 7.860 1.00 0.00 C ATOM 422 O LYS A 215 -20.494 2.115 9.061 1.00 0.00 O ATOM 423 CB LYS A 215 -19.653 4.095 7.130 1.00 0.00 C ATOM 424 CG LYS A 215 -19.075 4.596 5.816 1.00 0.00 C ATOM 425 CD LYS A 215 -18.092 5.745 6.052 1.00 0.00 C ATOM 426 CE LYS A 215 -17.667 6.346 4.712 1.00 0.00 C ATOM 427 NZ LYS A 215 -16.737 7.475 4.887 1.00 0.00 N ATOM 0 H LYS A 215 -22.391 3.393 5.815 1.00 0.00 H new ATOM 0 HA LYS A 215 -20.399 2.538 5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -20.138 4.913 7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -18.855 3.724 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -18.568 3.779 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -19.882 4.931 5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -18.556 6.511 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -17.217 5.382 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -17.193 5.576 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -18.550 6.684 4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -16.473 7.855 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -17.198 8.221 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -15.883 7.148 5.382 1.00 0.00 H new ATOM 441 N PRO A 216 -20.550 0.584 7.398 1.00 0.00 N ATOM 442 CA PRO A 216 -20.260 -0.518 8.285 1.00 0.00 C ATOM 443 C PRO A 216 -18.758 -0.530 8.590 1.00 0.00 C ATOM 444 O PRO A 216 -17.925 -0.007 7.840 1.00 0.00 O ATOM 445 CB PRO A 216 -20.685 -1.762 7.507 1.00 0.00 C ATOM 446 CG PRO A 216 -20.432 -1.383 6.049 1.00 0.00 C ATOM 447 CD PRO A 216 -20.612 0.140 6.015 1.00 0.00 C ATOM 0 HA PRO A 216 -20.778 -0.457 9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -20.103 -2.636 7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -21.733 -2.004 7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -19.430 -1.672 5.731 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -21.135 -1.881 5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -19.831 0.612 5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -21.566 0.410 5.561 1.00 0.00 H new ATOM 455 N GLU A 217 -18.396 -1.260 9.634 1.00 0.00 N ATOM 456 CA GLU A 217 -17.060 -1.305 10.220 1.00 0.00 C ATOM 457 C GLU A 217 -16.035 -2.087 9.399 1.00 0.00 C ATOM 458 O GLU A 217 -14.841 -2.081 9.709 1.00 0.00 O ATOM 459 CB GLU A 217 -17.140 -1.867 11.649 1.00 0.00 C ATOM 460 CG GLU A 217 -17.683 -3.306 11.776 1.00 0.00 C ATOM 461 CD GLU A 217 -19.118 -3.484 11.254 1.00 0.00 C ATOM 462 OE1 GLU A 217 -19.982 -2.646 11.593 1.00 0.00 O ATOM 463 OE2 GLU A 217 -19.362 -4.361 10.387 1.00 0.00 O ATOM 0 H GLU A 217 -19.056 -1.867 10.121 1.00 0.00 H new ATOM 0 HA GLU A 217 -16.699 -0.276 10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -16.143 -1.835 12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -17.771 -1.207 12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -17.023 -3.981 11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -17.649 -3.604 12.824 1.00 0.00 H new ATOM 470 N ASP A 218 -16.469 -2.725 8.322 1.00 0.00 N ATOM 471 CA ASP A 218 -15.566 -3.378 7.375 1.00 0.00 C ATOM 472 C ASP A 218 -15.149 -2.403 6.269 1.00 0.00 C ATOM 473 O ASP A 218 -14.012 -2.465 5.798 1.00 0.00 O ATOM 474 CB ASP A 218 -16.192 -4.647 6.793 1.00 0.00 C ATOM 475 CG ASP A 218 -15.131 -5.476 6.065 1.00 0.00 C ATOM 476 OD1 ASP A 218 -14.325 -6.174 6.714 1.00 0.00 O ATOM 477 OD2 ASP A 218 -15.090 -5.481 4.815 1.00 0.00 O ATOM 0 H ASP A 218 -17.456 -2.807 8.077 1.00 0.00 H new ATOM 0 HA ASP A 218 -14.669 -3.679 7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -16.641 -5.238 7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -16.993 -4.382 6.103 1.00 0.00 H new ATOM 482 N TRP A 219 -16.020 -1.442 5.922 1.00 0.00 N ATOM 483 CA TRP A 219 -15.853 -0.530 4.787 1.00 0.00 C ATOM 484 C TRP A 219 -14.649 0.381 4.976 1.00 0.00 C ATOM 485 O TRP A 219 -14.029 0.794 3.999 1.00 0.00 O ATOM 486 CB TRP A 219 -17.118 0.339 4.640 1.00 0.00 C ATOM 487 CG TRP A 219 -17.322 1.077 3.348 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.605 2.127 2.881 1.00 0.00 C ATOM 489 CD2 TRP A 219 -18.335 0.819 2.332 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.115 2.544 1.668 1.00 0.00 N ATOM 491 CE2 TRP A 219 -18.124 1.712 1.243 1.00 0.00 C ATOM 492 CE3 TRP A 219 -19.409 -0.088 2.217 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.871 1.642 0.061 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -20.205 -0.124 1.058 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.919 0.714 -0.032 1.00 0.00 C ATOM 0 H TRP A 219 -16.883 -1.276 6.440 1.00 0.00 H new ATOM 0 HA TRP A 219 -15.694 -1.132 3.892 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -17.984 -0.304 4.798 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -17.114 1.073 5.446 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -15.759 2.572 3.384 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -16.787 3.362 1.154 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -19.623 -0.765 3.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -18.643 2.294 -0.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -21.044 -0.802 1.006 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -20.503 0.644 -0.938 1.00 0.00 H new ATOM 506 N ASP A 220 -14.358 0.745 6.227 1.00 0.00 N ATOM 507 CA ASP A 220 -13.525 1.899 6.549 1.00 0.00 C ATOM 508 C ASP A 220 -12.032 1.573 6.415 1.00 0.00 C ATOM 509 O ASP A 220 -11.290 1.409 7.393 1.00 0.00 O ATOM 510 CB ASP A 220 -13.924 2.441 7.928 1.00 0.00 C ATOM 511 CG ASP A 220 -13.739 3.951 7.947 1.00 0.00 C ATOM 512 OD1 ASP A 220 -14.716 4.639 7.570 1.00 0.00 O ATOM 513 OD2 ASP A 220 -12.635 4.434 8.256 1.00 0.00 O ATOM 0 H ASP A 220 -14.697 0.243 7.047 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.699 2.695 5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -14.962 2.187 8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -13.314 1.978 8.704 1.00 0.00 H new ATOM 518 N LYS A 221 -11.610 1.345 5.173 1.00 0.00 N ATOM 519 CA LYS A 221 -10.238 1.020 4.828 1.00 0.00 C ATOM 520 C LYS A 221 -9.374 2.269 4.985 1.00 0.00 C ATOM 521 O LYS A 221 -9.859 3.373 4.744 1.00 0.00 O ATOM 522 CB LYS A 221 -10.159 0.479 3.394 1.00 0.00 C ATOM 523 CG LYS A 221 -10.933 -0.829 3.172 1.00 0.00 C ATOM 524 CD LYS A 221 -10.434 -2.020 4.004 1.00 0.00 C ATOM 525 CE LYS A 221 -11.340 -3.218 3.698 1.00 0.00 C ATOM 526 NZ LYS A 221 -10.804 -4.498 4.200 1.00 0.00 N ATOM 0 H LYS A 221 -12.230 1.383 4.364 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.869 0.243 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.543 1.236 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.112 0.317 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -11.984 -0.657 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -10.878 -1.093 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.398 -2.252 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -10.462 -1.782 5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -12.321 -3.045 4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -11.484 -3.290 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -11.462 -5.267 3.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -9.880 -4.684 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -10.692 -4.446 5.233 1.00 0.00 H new ATOM 540 N PRO A 222 -8.086 2.101 5.321 1.00 0.00 N ATOM 541 CA PRO A 222 -7.144 3.195 5.257 1.00 0.00 C ATOM 542 C PRO A 222 -7.019 3.679 3.813 1.00 0.00 C ATOM 543 O PRO A 222 -7.251 2.936 2.851 1.00 0.00 O ATOM 544 CB PRO A 222 -5.841 2.670 5.865 1.00 0.00 C ATOM 545 CG PRO A 222 -5.939 1.149 5.740 1.00 0.00 C ATOM 546 CD PRO A 222 -7.426 0.844 5.615 1.00 0.00 C ATOM 0 HA PRO A 222 -7.459 4.073 5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -4.972 3.056 5.332 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -5.738 2.976 6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.391 0.791 4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.509 0.655 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.607 0.117 4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.811 0.411 6.538 1.00 0.00 H new ATOM 554 N GLU A 223 -6.653 4.950 3.710 1.00 0.00 N ATOM 555 CA GLU A 223 -6.500 5.718 2.493 1.00 0.00 C ATOM 556 C GLU A 223 -5.201 5.273 1.824 1.00 0.00 C ATOM 557 O GLU A 223 -5.204 4.460 0.898 1.00 0.00 O ATOM 558 CB GLU A 223 -6.445 7.209 2.885 1.00 0.00 C ATOM 559 CG GLU A 223 -7.777 7.829 3.294 1.00 0.00 C ATOM 560 CD GLU A 223 -8.574 8.378 2.123 1.00 0.00 C ATOM 561 OE1 GLU A 223 -8.196 8.178 0.944 1.00 0.00 O ATOM 562 OE2 GLU A 223 -9.600 9.032 2.413 1.00 0.00 O ATOM 0 H GLU A 223 -6.441 5.506 4.538 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.326 5.565 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -5.742 7.324 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -6.044 7.774 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -8.375 7.078 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -7.591 8.633 4.006 1.00 0.00 H new ATOM 569 N HIS A 224 -4.089 5.803 2.327 1.00 0.00 N ATOM 570 CA HIS A 224 -2.749 5.499 1.876 1.00 0.00 C ATOM 571 C HIS A 224 -2.276 4.334 2.728 1.00 0.00 C ATOM 572 O HIS A 224 -2.392 4.401 3.955 1.00 0.00 O ATOM 573 CB HIS A 224 -1.850 6.736 2.028 1.00 0.00 C ATOM 574 CG HIS A 224 -2.291 7.900 1.178 1.00 0.00 C ATOM 575 ND1 HIS A 224 -2.584 9.178 1.608 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.436 7.871 -0.183 1.00 0.00 C ATOM 577 CE1 HIS A 224 -2.910 9.899 0.521 1.00 0.00 C ATOM 578 NE2 HIS A 224 -2.877 9.136 -0.590 1.00 0.00 N ATOM 0 H HIS A 224 -4.106 6.481 3.089 1.00 0.00 H new ATOM 0 HA HIS A 224 -2.716 5.229 0.820 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -1.839 7.042 3.074 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -0.827 6.468 1.763 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -2.245 7.025 -0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -3.164 10.949 0.536 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.124 9.423 -1.537 1.00 0.00 H new ATOM 586 N ILE A 225 -1.732 3.290 2.109 1.00 0.00 N ATOM 587 CA ILE A 225 -1.154 2.161 2.823 1.00 0.00 C ATOM 588 C ILE A 225 0.307 1.965 2.405 1.00 0.00 C ATOM 589 O ILE A 225 0.636 2.178 1.237 1.00 0.00 O ATOM 590 CB ILE A 225 -1.988 0.886 2.631 1.00 0.00 C ATOM 591 CG1 ILE A 225 -1.980 0.391 1.171 1.00 0.00 C ATOM 592 CG2 ILE A 225 -3.442 1.108 3.094 1.00 0.00 C ATOM 593 CD1 ILE A 225 -2.394 -1.077 1.042 1.00 0.00 C ATOM 0 H ILE A 225 -1.681 3.205 1.094 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.170 2.380 3.891 1.00 0.00 H new ATOM 0 HB ILE A 225 -1.523 0.116 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -2.656 1.008 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -0.982 0.521 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.014 0.192 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.450 1.377 4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -3.891 1.912 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -2.370 -1.371 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -1.703 -1.701 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -3.404 -1.206 1.432 1.00 0.00 H new ATOM 605 N PRO A 226 1.188 1.555 3.326 1.00 0.00 N ATOM 606 CA PRO A 226 2.587 1.316 3.030 1.00 0.00 C ATOM 607 C PRO A 226 2.686 0.001 2.261 1.00 0.00 C ATOM 608 O PRO A 226 2.276 -1.038 2.788 1.00 0.00 O ATOM 609 CB PRO A 226 3.279 1.277 4.391 1.00 0.00 C ATOM 610 CG PRO A 226 2.190 0.793 5.351 1.00 0.00 C ATOM 611 CD PRO A 226 0.871 1.172 4.690 1.00 0.00 C ATOM 0 HA PRO A 226 3.058 2.076 2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 226 4.134 0.600 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.653 2.260 4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 226 2.255 -0.284 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 226 2.290 1.265 6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 226 0.174 0.334 4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 226 0.392 1.994 5.222 1.00 0.00 H new ATOM 619 N ASP A 227 3.189 0.062 1.024 1.00 0.00 N ATOM 620 CA ASP A 227 3.123 -0.992 0.021 1.00 0.00 C ATOM 621 C ASP A 227 3.534 -2.336 0.624 1.00 0.00 C ATOM 622 O ASP A 227 4.701 -2.483 0.983 1.00 0.00 O ATOM 623 CB ASP A 227 4.021 -0.631 -1.171 1.00 0.00 C ATOM 624 CG ASP A 227 3.923 -1.648 -2.306 1.00 0.00 C ATOM 625 OD1 ASP A 227 3.061 -2.554 -2.243 1.00 0.00 O ATOM 626 OD2 ASP A 227 4.669 -1.492 -3.302 1.00 0.00 O ATOM 0 H ASP A 227 3.676 0.891 0.684 1.00 0.00 H new ATOM 0 HA ASP A 227 2.095 -1.083 -0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.744 0.354 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 227 5.056 -0.565 -0.835 1.00 0.00 H new ATOM 631 N PRO A 228 2.605 -3.288 0.820 1.00 0.00 N ATOM 632 CA PRO A 228 2.916 -4.591 1.382 1.00 0.00 C ATOM 633 C PRO A 228 3.474 -5.550 0.327 1.00 0.00 C ATOM 634 O PRO A 228 3.975 -6.616 0.696 1.00 0.00 O ATOM 635 CB PRO A 228 1.584 -5.102 1.935 1.00 0.00 C ATOM 636 CG PRO A 228 0.568 -4.516 0.958 1.00 0.00 C ATOM 637 CD PRO A 228 1.181 -3.177 0.553 1.00 0.00 C ATOM 0 HA PRO A 228 3.688 -4.523 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 228 1.545 -6.191 1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 228 1.410 -4.758 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 228 0.422 -5.166 0.095 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -0.407 -4.384 1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.997 -2.967 -0.501 1.00 0.00 H new ATOM 0 HD3 PRO A 228 0.740 -2.359 1.122 1.00 0.00 H new ATOM 645 N ASP A 229 3.380 -5.203 -0.964 1.00 0.00 N ATOM 646 CA ASP A 229 3.980 -5.997 -2.032 1.00 0.00 C ATOM 647 C ASP A 229 5.494 -5.910 -1.904 1.00 0.00 C ATOM 648 O ASP A 229 6.174 -6.933 -2.011 1.00 0.00 O ATOM 649 CB ASP A 229 3.537 -5.495 -3.416 1.00 0.00 C ATOM 650 CG ASP A 229 3.804 -6.484 -4.553 1.00 0.00 C ATOM 651 OD1 ASP A 229 4.975 -6.821 -4.846 1.00 0.00 O ATOM 652 OD2 ASP A 229 2.817 -6.956 -5.159 1.00 0.00 O ATOM 0 H ASP A 229 2.889 -4.370 -1.290 1.00 0.00 H new ATOM 0 HA ASP A 229 3.650 -7.032 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.471 -5.272 -3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 229 4.052 -4.560 -3.634 1.00 0.00 H new ATOM 657 N ALA A 230 6.010 -4.706 -1.622 1.00 0.00 N ATOM 658 CA ALA A 230 7.433 -4.427 -1.557 1.00 0.00 C ATOM 659 C ALA A 230 7.906 -4.441 -0.101 1.00 0.00 C ATOM 660 O ALA A 230 7.192 -3.969 0.782 1.00 0.00 O ATOM 661 CB ALA A 230 7.660 -3.065 -2.220 1.00 0.00 C ATOM 0 H ALA A 230 5.430 -3.889 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 230 8.012 -5.188 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.721 -2.819 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.325 -3.104 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 230 7.096 -2.301 -1.685 1.00 0.00 H new ATOM 667 N LYS A 231 9.114 -4.941 0.177 1.00 0.00 N ATOM 668 CA LYS A 231 9.661 -5.046 1.540 1.00 0.00 C ATOM 669 C LYS A 231 11.179 -4.860 1.585 1.00 0.00 C ATOM 670 O LYS A 231 11.843 -5.436 2.449 1.00 0.00 O ATOM 671 CB LYS A 231 9.220 -6.378 2.174 1.00 0.00 C ATOM 672 CG LYS A 231 7.783 -6.301 2.711 1.00 0.00 C ATOM 673 CD LYS A 231 7.460 -7.538 3.537 1.00 0.00 C ATOM 674 CE LYS A 231 7.212 -8.707 2.579 1.00 0.00 C ATOM 675 NZ LYS A 231 7.191 -10.006 3.262 1.00 0.00 N ATOM 0 H LYS A 231 9.748 -5.288 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 231 9.253 -4.226 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 231 9.290 -7.175 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 231 9.899 -6.637 2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 231 7.663 -5.406 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 231 7.082 -6.216 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 231 8.284 -7.769 4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 231 6.580 -7.362 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 231 6.262 -8.556 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 231 7.989 -8.716 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 7.020 -10.761 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 8.106 -10.167 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 6.433 -10.012 3.974 1.00 0.00 H new ATOM 689 N LYS A 232 11.704 -3.998 0.714 1.00 0.00 N ATOM 690 CA LYS A 232 13.096 -3.794 0.342 1.00 0.00 C ATOM 691 C LYS A 232 13.565 -4.996 -0.493 1.00 0.00 C ATOM 692 O LYS A 232 13.323 -6.141 -0.105 1.00 0.00 O ATOM 693 CB LYS A 232 13.969 -3.494 1.564 1.00 0.00 C ATOM 694 CG LYS A 232 15.421 -3.132 1.230 1.00 0.00 C ATOM 695 CD LYS A 232 16.202 -2.506 2.395 1.00 0.00 C ATOM 696 CE LYS A 232 16.464 -3.385 3.618 1.00 0.00 C ATOM 697 NZ LYS A 232 15.249 -3.684 4.398 1.00 0.00 N ATOM 0 H LYS A 232 11.096 -3.360 0.200 1.00 0.00 H new ATOM 0 HA LYS A 232 13.195 -2.906 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 232 13.521 -2.672 2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 232 13.966 -4.364 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.941 -4.032 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 232 15.426 -2.437 0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 232 17.164 -2.166 2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 232 15.660 -1.620 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 232 16.917 -4.321 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 232 17.188 -2.889 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 15.470 -3.644 5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 14.513 -2.984 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 14.906 -4.636 4.156 1.00 0.00 H new ATOM 711 N PRO A 233 14.163 -4.770 -1.672 1.00 0.00 N ATOM 712 CA PRO A 233 14.823 -5.812 -2.453 1.00 0.00 C ATOM 713 C PRO A 233 16.065 -6.301 -1.707 1.00 0.00 C ATOM 714 O PRO A 233 16.688 -5.528 -0.978 1.00 0.00 O ATOM 715 CB PRO A 233 15.209 -5.163 -3.788 1.00 0.00 C ATOM 716 CG PRO A 233 14.976 -3.662 -3.620 1.00 0.00 C ATOM 717 CD PRO A 233 14.254 -3.472 -2.305 1.00 0.00 C ATOM 0 HA PRO A 233 14.177 -6.675 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 233 16.251 -5.369 -4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.604 -5.561 -4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.923 -3.122 -3.622 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.383 -3.269 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.794 -2.771 -1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 233 13.261 -3.054 -2.469 1.00 0.00 H new ATOM 725 N GLU A 234 16.512 -7.540 -1.924 1.00 0.00 N ATOM 726 CA GLU A 234 17.794 -8.007 -1.428 1.00 0.00 C ATOM 727 C GLU A 234 18.957 -7.470 -2.270 1.00 0.00 C ATOM 728 O GLU A 234 20.126 -7.692 -1.954 1.00 0.00 O ATOM 729 CB GLU A 234 17.787 -9.533 -1.382 1.00 0.00 C ATOM 730 CG GLU A 234 17.882 -10.291 -2.714 1.00 0.00 C ATOM 731 CD GLU A 234 16.506 -10.588 -3.291 1.00 0.00 C ATOM 732 OE1 GLU A 234 15.843 -9.639 -3.763 1.00 0.00 O ATOM 733 OE2 GLU A 234 16.095 -11.777 -3.260 1.00 0.00 O ATOM 0 H GLU A 234 15.990 -8.242 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 234 17.945 -7.623 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 234 18.619 -9.853 -0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 234 16.871 -9.849 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 234 18.457 -9.701 -3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 234 18.423 -11.225 -2.563 1.00 0.00 H new ATOM 740 N ASP A 235 18.636 -6.794 -3.368 1.00 0.00 N ATOM 741 CA ASP A 235 19.542 -6.053 -4.230 1.00 0.00 C ATOM 742 C ASP A 235 19.582 -4.575 -3.827 1.00 0.00 C ATOM 743 O ASP A 235 20.216 -3.776 -4.519 1.00 0.00 O ATOM 744 CB ASP A 235 19.035 -6.157 -5.675 1.00 0.00 C ATOM 745 CG ASP A 235 19.127 -7.539 -6.305 1.00 0.00 C ATOM 746 OD1 ASP A 235 19.823 -8.441 -5.789 1.00 0.00 O ATOM 747 OD2 ASP A 235 18.414 -7.764 -7.308 1.00 0.00 O ATOM 0 H ASP A 235 17.672 -6.748 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 235 20.544 -6.471 -4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 235 17.994 -5.834 -5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 235 19.601 -5.458 -6.291 1.00 0.00 H new ATOM 752 N TRP A 236 18.866 -4.166 -2.768 1.00 0.00 N ATOM 753 CA TRP A 236 18.953 -2.788 -2.307 1.00 0.00 C ATOM 754 C TRP A 236 20.361 -2.528 -1.762 1.00 0.00 C ATOM 755 O TRP A 236 21.107 -3.456 -1.434 1.00 0.00 O ATOM 756 CB TRP A 236 17.896 -2.469 -1.246 1.00 0.00 C ATOM 757 CG TRP A 236 17.729 -1.010 -0.921 1.00 0.00 C ATOM 758 CD1 TRP A 236 18.246 -0.352 0.146 1.00 0.00 C ATOM 759 CD2 TRP A 236 17.031 0.004 -1.699 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.879 0.982 0.104 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.088 1.242 -0.997 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.361 -0.009 -2.939 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.429 2.387 -1.467 1.00 0.00 C ATOM 764 CZ3 TRP A 236 15.741 1.150 -3.448 1.00 0.00 C ATOM 765 CH2 TRP A 236 15.758 2.343 -2.701 1.00 0.00 C ATOM 0 H TRP A 236 18.236 -4.761 -2.230 1.00 0.00 H new ATOM 0 HA TRP A 236 18.757 -2.130 -3.154 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.937 -2.861 -1.584 1.00 0.00 H new ATOM 0 HB3 TRP A 236 18.153 -3.001 -0.330 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.855 -0.803 0.916 1.00 0.00 H new ATOM 0 HE1 TRP A 236 18.156 1.680 0.794 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.322 -0.925 -3.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.437 3.296 -0.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.253 1.123 -4.411 1.00 0.00 H new ATOM 0 HH2 TRP A 236 15.256 3.223 -3.076 1.00 0.00 H new ATOM 776 N ASP A 237 20.693 -1.252 -1.615 1.00 0.00 N ATOM 777 CA ASP A 237 21.945 -0.762 -1.068 1.00 0.00 C ATOM 778 C ASP A 237 21.617 0.585 -0.426 1.00 0.00 C ATOM 779 O ASP A 237 21.247 1.536 -1.127 1.00 0.00 O ATOM 780 CB ASP A 237 22.996 -0.664 -2.182 1.00 0.00 C ATOM 781 CG ASP A 237 24.361 -0.176 -1.689 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.390 0.560 -0.678 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.356 -0.524 -2.358 1.00 0.00 O ATOM 0 H ASP A 237 20.064 -0.497 -1.888 1.00 0.00 H new ATOM 0 HA ASP A 237 22.375 -1.428 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 237 23.115 -1.643 -2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.633 0.014 -2.955 1.00 0.00 H new ATOM 788 N GLU A 238 21.630 0.625 0.906 1.00 0.00 N ATOM 789 CA GLU A 238 21.317 1.806 1.699 1.00 0.00 C ATOM 790 C GLU A 238 22.426 2.859 1.682 1.00 0.00 C ATOM 791 O GLU A 238 22.164 4.006 2.038 1.00 0.00 O ATOM 792 CB GLU A 238 21.027 1.412 3.167 1.00 0.00 C ATOM 793 CG GLU A 238 19.553 1.497 3.566 1.00 0.00 C ATOM 794 CD GLU A 238 18.663 0.248 3.459 1.00 0.00 C ATOM 795 OE1 GLU A 238 19.187 -0.891 3.389 1.00 0.00 O ATOM 796 OE2 GLU A 238 17.419 0.421 3.478 1.00 0.00 O ATOM 0 H GLU A 238 21.866 -0.188 1.476 1.00 0.00 H new ATOM 0 HA GLU A 238 20.434 2.248 1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 238 21.377 0.393 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 238 21.607 2.059 3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 238 19.515 1.837 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 238 19.095 2.277 2.957 1.00 0.00 H new ATOM 803 N GLU A 239 23.640 2.508 1.277 1.00 0.00 N ATOM 804 CA GLU A 239 24.711 3.487 1.066 1.00 0.00 C ATOM 805 C GLU A 239 24.606 4.097 -0.343 1.00 0.00 C ATOM 806 O GLU A 239 25.167 5.166 -0.590 1.00 0.00 O ATOM 807 CB GLU A 239 26.105 2.884 1.354 1.00 0.00 C ATOM 808 CG GLU A 239 26.295 2.575 2.855 1.00 0.00 C ATOM 809 CD GLU A 239 27.759 2.323 3.266 1.00 0.00 C ATOM 810 OE1 GLU A 239 28.547 3.299 3.264 1.00 0.00 O ATOM 811 OE2 GLU A 239 28.075 1.180 3.674 1.00 0.00 O ATOM 0 H GLU A 239 23.914 1.544 1.085 1.00 0.00 H new ATOM 0 HA GLU A 239 24.585 4.298 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 239 26.232 1.969 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.877 3.579 1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 239 25.903 3.408 3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 239 25.701 1.698 3.112 1.00 0.00 H new ATOM 818 N MET A 240 23.841 3.470 -1.244 1.00 0.00 N ATOM 819 CA MET A 240 23.653 3.906 -2.625 1.00 0.00 C ATOM 820 C MET A 240 22.431 4.818 -2.745 1.00 0.00 C ATOM 821 O MET A 240 22.531 5.910 -3.303 1.00 0.00 O ATOM 822 CB MET A 240 23.525 2.663 -3.514 1.00 0.00 C ATOM 823 CG MET A 240 23.301 2.946 -5.002 1.00 0.00 C ATOM 824 SD MET A 240 24.690 3.698 -5.894 1.00 0.00 S ATOM 825 CE MET A 240 24.060 3.515 -7.582 1.00 0.00 C ATOM 0 H MET A 240 23.322 2.620 -1.022 1.00 0.00 H new ATOM 0 HA MET A 240 24.512 4.491 -2.953 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.430 2.064 -3.407 1.00 0.00 H new ATOM 0 HB3 MET A 240 22.696 2.057 -3.147 1.00 0.00 H new ATOM 0 HG2 MET A 240 23.046 2.008 -5.494 1.00 0.00 H new ATOM 0 HG3 MET A 240 22.436 3.602 -5.099 1.00 0.00 H new ATOM 0 HE1 MET A 240 24.783 3.925 -8.287 1.00 0.00 H new ATOM 0 HE2 MET A 240 23.901 2.459 -7.798 1.00 0.00 H new ATOM 0 HE3 MET A 240 23.116 4.051 -7.678 1.00 0.00 H new ATOM 835 N ASP A 241 21.268 4.376 -2.248 1.00 0.00 N ATOM 836 CA ASP A 241 19.988 5.080 -2.438 1.00 0.00 C ATOM 837 C ASP A 241 19.423 5.607 -1.114 1.00 0.00 C ATOM 838 O ASP A 241 18.392 6.286 -1.115 1.00 0.00 O ATOM 839 CB ASP A 241 18.957 4.178 -3.148 1.00 0.00 C ATOM 840 CG ASP A 241 18.540 4.680 -4.533 1.00 0.00 C ATOM 841 OD1 ASP A 241 19.392 4.707 -5.454 1.00 0.00 O ATOM 842 OD2 ASP A 241 17.345 4.981 -4.759 1.00 0.00 O ATOM 0 H ASP A 241 21.186 3.519 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 241 20.189 5.941 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 241 19.373 3.175 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.070 4.094 -2.521 1.00 0.00 H new ATOM 847 N GLY A 242 20.076 5.319 0.017 1.00 0.00 N ATOM 848 CA GLY A 242 19.552 5.594 1.344 1.00 0.00 C ATOM 849 C GLY A 242 18.468 4.600 1.724 1.00 0.00 C ATOM 850 O GLY A 242 18.245 3.600 1.044 1.00 0.00 O ATOM 0 H GLY A 242 20.997 4.882 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.361 5.550 2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.148 6.606 1.376 1.00 0.00 H new ATOM 854 N GLU A 243 17.865 4.829 2.888 1.00 0.00 N ATOM 855 CA GLU A 243 16.936 3.907 3.518 1.00 0.00 C ATOM 856 C GLU A 243 15.752 3.649 2.601 1.00 0.00 C ATOM 857 O GLU A 243 15.008 4.568 2.232 1.00 0.00 O ATOM 858 CB GLU A 243 16.542 4.423 4.895 1.00 0.00 C ATOM 859 CG GLU A 243 15.742 3.378 5.686 1.00 0.00 C ATOM 860 CD GLU A 243 15.041 3.935 6.930 1.00 0.00 C ATOM 861 OE1 GLU A 243 15.610 3.874 8.046 1.00 0.00 O ATOM 862 OE2 GLU A 243 13.846 4.298 6.839 1.00 0.00 O ATOM 0 H GLU A 243 18.015 5.681 3.428 1.00 0.00 H new ATOM 0 HA GLU A 243 17.415 2.941 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 243 17.439 4.693 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 243 15.948 5.331 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 243 14.994 2.935 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 243 16.414 2.576 5.990 1.00 0.00 H new ATOM 869 N TRP A 244 15.586 2.378 2.239 1.00 0.00 N ATOM 870 CA TRP A 244 14.417 1.935 1.517 1.00 0.00 C ATOM 871 C TRP A 244 13.192 2.270 2.354 1.00 0.00 C ATOM 872 O TRP A 244 13.109 1.900 3.527 1.00 0.00 O ATOM 873 CB TRP A 244 14.461 0.432 1.269 1.00 0.00 C ATOM 874 CG TRP A 244 13.333 -0.062 0.438 1.00 0.00 C ATOM 875 CD1 TRP A 244 13.295 -0.052 -0.908 1.00 0.00 C ATOM 876 CD2 TRP A 244 12.047 -0.576 0.881 1.00 0.00 C ATOM 877 NE1 TRP A 244 12.075 -0.528 -1.335 1.00 0.00 N ATOM 878 CE2 TRP A 244 11.238 -0.794 -0.270 1.00 0.00 C ATOM 879 CE3 TRP A 244 11.482 -0.860 2.142 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.904 -1.203 -0.158 1.00 0.00 C ATOM 881 CZ3 TRP A 244 10.175 -1.364 2.254 1.00 0.00 C ATOM 882 CH2 TRP A 244 9.387 -1.518 1.104 1.00 0.00 C ATOM 0 H TRP A 244 16.259 1.638 2.441 1.00 0.00 H new ATOM 0 HA TRP A 244 14.381 2.435 0.549 1.00 0.00 H new ATOM 0 HB2 TRP A 244 15.401 0.179 0.779 1.00 0.00 H new ATOM 0 HB3 TRP A 244 14.451 -0.087 2.227 1.00 0.00 H new ATOM 0 HD1 TRP A 244 14.096 0.278 -1.552 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.822 -0.666 -2.313 1.00 0.00 H new ATOM 0 HE3 TRP A 244 12.063 -0.687 3.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.280 -1.275 -1.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.779 -1.632 3.222 1.00 0.00 H new ATOM 0 HH2 TRP A 244 8.374 -1.882 1.193 1.00 0.00 H new ATOM 893 N GLU A 245 12.225 2.924 1.734 1.00 0.00 N ATOM 894 CA GLU A 245 10.867 3.018 2.222 1.00 0.00 C ATOM 895 C GLU A 245 10.000 2.393 1.142 1.00 0.00 C ATOM 896 O GLU A 245 10.307 2.536 -0.045 1.00 0.00 O ATOM 897 CB GLU A 245 10.475 4.486 2.408 1.00 0.00 C ATOM 898 CG GLU A 245 11.141 5.151 3.615 1.00 0.00 C ATOM 899 CD GLU A 245 10.881 6.654 3.560 1.00 0.00 C ATOM 900 OE1 GLU A 245 9.702 7.068 3.696 1.00 0.00 O ATOM 901 OE2 GLU A 245 11.835 7.411 3.262 1.00 0.00 O ATOM 0 H GLU A 245 12.371 3.417 0.853 1.00 0.00 H new ATOM 0 HA GLU A 245 10.750 2.517 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 245 10.738 5.040 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 245 9.393 4.553 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 245 10.745 4.734 4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 245 12.213 4.954 3.610 1.00 0.00 H new ATOM 908 N PRO A 246 8.891 1.748 1.513 1.00 0.00 N ATOM 909 CA PRO A 246 7.846 1.479 0.558 1.00 0.00 C ATOM 910 C PRO A 246 7.237 2.819 0.122 1.00 0.00 C ATOM 911 O PRO A 246 7.187 3.770 0.918 1.00 0.00 O ATOM 912 CB PRO A 246 6.825 0.599 1.285 1.00 0.00 C ATOM 913 CG PRO A 246 7.230 0.605 2.765 1.00 0.00 C ATOM 914 CD PRO A 246 8.464 1.482 2.867 1.00 0.00 C ATOM 0 HA PRO A 246 8.201 0.970 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.815 0.988 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.830 -0.415 0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 246 6.424 0.995 3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.442 -0.406 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 246 8.238 2.410 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 246 9.251 0.981 3.431 1.00 0.00 H new ATOM 922 N PRO A 247 6.669 2.889 -1.089 1.00 0.00 N ATOM 923 CA PRO A 247 5.718 3.931 -1.431 1.00 0.00 C ATOM 924 C PRO A 247 4.450 3.771 -0.589 1.00 0.00 C ATOM 925 O PRO A 247 4.309 2.823 0.197 1.00 0.00 O ATOM 926 CB PRO A 247 5.454 3.774 -2.928 1.00 0.00 C ATOM 927 CG PRO A 247 5.775 2.312 -3.219 1.00 0.00 C ATOM 928 CD PRO A 247 6.783 1.905 -2.148 1.00 0.00 C ATOM 0 HA PRO A 247 6.093 4.933 -1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.419 4.010 -3.176 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.083 4.443 -3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 247 4.878 1.694 -3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.192 2.191 -4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.570 0.904 -1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.795 1.885 -2.553 1.00 0.00 H new ATOM 936 N VAL A 248 3.508 4.695 -0.756 1.00 0.00 N ATOM 937 CA VAL A 248 2.244 4.651 -0.050 1.00 0.00 C ATOM 938 C VAL A 248 1.160 4.709 -1.103 1.00 0.00 C ATOM 939 O VAL A 248 0.978 5.741 -1.742 1.00 0.00 O ATOM 940 CB VAL A 248 2.099 5.762 0.998 1.00 0.00 C ATOM 941 CG1 VAL A 248 1.424 5.187 2.238 1.00 0.00 C ATOM 942 CG2 VAL A 248 3.404 6.421 1.440 1.00 0.00 C ATOM 0 H VAL A 248 3.605 5.492 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 248 2.173 3.731 0.531 1.00 0.00 H new ATOM 0 HB VAL A 248 1.511 6.540 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 248 1.316 5.969 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 248 0.440 4.802 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 248 2.033 4.378 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 248 3.190 7.191 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 248 4.061 5.669 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.893 6.873 0.578 1.00 0.00 H new ATOM 952 N ILE A 249 0.502 3.585 -1.329 1.00 0.00 N ATOM 953 CA ILE A 249 -0.422 3.414 -2.436 1.00 0.00 C ATOM 954 C ILE A 249 -1.837 3.638 -1.922 1.00 0.00 C ATOM 955 O ILE A 249 -2.078 3.561 -0.711 1.00 0.00 O ATOM 956 CB ILE A 249 -0.199 2.022 -3.062 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.612 0.891 -2.100 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.286 1.905 -3.468 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.764 -0.479 -2.757 1.00 0.00 C ATOM 0 H ILE A 249 0.596 2.756 -0.742 1.00 0.00 H new ATOM 0 HA ILE A 249 -0.252 4.142 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.831 1.915 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.131 0.818 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.557 1.160 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.465 0.926 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.528 2.683 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 249 1.915 2.023 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -1.056 -1.212 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -1.529 -0.428 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.185 -0.776 -3.204 1.00 0.00 H new ATOM 971 N GLN A 250 -2.786 3.861 -2.826 1.00 0.00 N ATOM 972 CA GLN A 250 -4.189 3.930 -2.459 1.00 0.00 C ATOM 973 C GLN A 250 -4.751 2.512 -2.490 1.00 0.00 C ATOM 974 O GLN A 250 -5.406 2.109 -3.446 1.00 0.00 O ATOM 975 CB GLN A 250 -4.951 4.918 -3.350 1.00 0.00 C ATOM 976 CG GLN A 250 -6.428 5.045 -2.932 1.00 0.00 C ATOM 977 CD GLN A 250 -6.711 6.224 -2.014 1.00 0.00 C ATOM 978 OE1 GLN A 250 -6.778 7.362 -2.478 1.00 0.00 O ATOM 979 NE2 GLN A 250 -6.910 5.985 -0.731 1.00 0.00 N ATOM 0 H GLN A 250 -2.604 3.997 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.308 4.323 -1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.473 5.896 -3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.894 4.590 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -7.042 5.139 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.734 4.126 -2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.848 5.031 -0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -7.126 6.754 -0.096 1.00 0.00 H new ATOM 988 N ASN A 251 -4.486 1.851 -1.365 1.00 0.00 N ATOM 989 CA ASN A 251 -5.036 0.663 -0.739 1.00 0.00 C ATOM 990 C ASN A 251 -5.353 -0.483 -1.742 1.00 0.00 C ATOM 991 O ASN A 251 -4.856 -0.488 -2.868 1.00 0.00 O ATOM 992 CB ASN A 251 -6.140 1.153 0.209 1.00 0.00 C ATOM 993 CG ASN A 251 -7.471 0.994 -0.381 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.595 1.033 -1.590 1.00 0.00 O ATOM 995 ND2 ASN A 251 -8.446 0.743 0.475 1.00 0.00 N ATOM 0 H ASN A 251 -3.741 2.213 -0.770 1.00 0.00 H new ATOM 0 HA ASN A 251 -4.310 0.128 -0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.088 0.598 1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -5.972 2.202 0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -9.390 0.563 0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -8.254 0.729 1.477 1.00 0.00 H new ATOM 1002 N PRO A 252 -5.989 -1.590 -1.324 1.00 0.00 N ATOM 1003 CA PRO A 252 -6.516 -2.580 -2.256 1.00 0.00 C ATOM 1004 C PRO A 252 -7.748 -2.056 -2.996 1.00 0.00 C ATOM 1005 O PRO A 252 -7.812 -2.148 -4.224 1.00 0.00 O ATOM 1006 CB PRO A 252 -6.819 -3.831 -1.431 1.00 0.00 C ATOM 1007 CG PRO A 252 -6.886 -3.340 0.011 1.00 0.00 C ATOM 1008 CD PRO A 252 -6.079 -2.042 0.045 1.00 0.00 C ATOM 0 HA PRO A 252 -5.793 -2.809 -3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -7.760 -4.288 -1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -6.042 -4.585 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -7.918 -3.168 0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -6.469 -4.078 0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -6.568 -1.295 0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -5.088 -2.210 0.466 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.767 -1.583 -2.275 1.00 0.00 N ATOM 1017 CA GLU A 253 -10.060 -1.219 -2.854 1.00 0.00 C ATOM 1018 C GLU A 253 -10.769 -0.157 -2.001 1.00 0.00 C ATOM 1019 O GLU A 253 -11.834 -0.354 -1.432 1.00 0.00 O ATOM 1020 CB GLU A 253 -10.896 -2.486 -3.077 1.00 0.00 C ATOM 1021 CG GLU A 253 -11.027 -3.276 -1.782 1.00 0.00 C ATOM 1022 CD GLU A 253 -11.891 -4.513 -1.965 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -13.075 -4.394 -2.353 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -11.350 -5.633 -1.778 1.00 0.00 O ATOM 0 H GLU A 253 -8.717 -1.441 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 253 -9.912 -0.755 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -11.885 -2.215 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -10.429 -3.106 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -10.037 -3.571 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -11.460 -2.640 -1.010 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.163 1.014 -1.904 1.00 0.00 N ATOM 1032 CA TYR A 254 -10.660 2.200 -1.222 1.00 0.00 C ATOM 1033 C TYR A 254 -12.011 2.534 -1.849 1.00 0.00 C ATOM 1034 O TYR A 254 -12.074 2.991 -2.994 1.00 0.00 O ATOM 1035 CB TYR A 254 -9.625 3.345 -1.294 1.00 0.00 C ATOM 1036 CG TYR A 254 -10.125 4.587 -0.611 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -10.896 5.509 -1.335 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -9.848 4.793 0.752 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -11.412 6.644 -0.697 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -10.344 5.937 1.398 1.00 0.00 C ATOM 1041 CZ TYR A 254 -11.143 6.856 0.671 1.00 0.00 C ATOM 1042 OH TYR A 254 -11.660 7.963 1.262 1.00 0.00 O ATOM 0 H TYR A 254 -9.249 1.173 -2.328 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.805 2.033 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -8.693 3.024 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -9.400 3.568 -2.337 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -11.092 5.343 -2.384 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -9.256 4.075 1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -12.012 7.352 -1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -10.119 6.115 2.439 1.00 0.00 H new ATOM 0 HH TYR A 254 -11.064 8.258 1.982 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.099 2.178 -1.159 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.446 2.167 -1.719 1.00 0.00 C ATOM 1054 C LYS A 255 -14.954 3.605 -1.724 1.00 0.00 C ATOM 1055 O LYS A 255 -15.715 3.993 -0.835 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.377 1.207 -0.963 1.00 0.00 C ATOM 1057 CG LYS A 255 -14.956 -0.263 -1.006 1.00 0.00 C ATOM 1058 CD LYS A 255 -16.033 -1.160 -0.386 1.00 0.00 C ATOM 1059 CE LYS A 255 -15.457 -2.495 0.096 1.00 0.00 C ATOM 1060 NZ LYS A 255 -15.256 -3.507 -0.963 1.00 0.00 N ATOM 0 H LYS A 255 -13.064 1.886 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.428 1.786 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.434 1.524 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.381 1.295 -1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -14.777 -0.564 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -14.016 -0.392 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -16.499 -0.642 0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -16.817 -1.347 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -14.501 -2.306 0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -16.124 -2.910 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -15.560 -4.439 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -15.817 -3.250 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -14.249 -3.546 -1.220 1.00 0.00 H new ATOM 1074 N GLY A 256 -14.463 4.376 -2.697 1.00 0.00 N ATOM 1075 CA GLY A 256 -14.558 5.816 -2.792 1.00 0.00 C ATOM 1076 C GLY A 256 -15.999 6.260 -2.693 1.00 0.00 C ATOM 1077 O GLY A 256 -16.735 6.140 -3.672 1.00 0.00 O ATOM 0 H GLY A 256 -13.957 3.974 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -13.974 6.278 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -14.132 6.153 -3.737 1.00 0.00 H new ATOM 1081 N GLU A 257 -16.343 6.838 -1.549 1.00 0.00 N ATOM 1082 CA GLU A 257 -17.627 7.208 -1.022 1.00 0.00 C ATOM 1083 C GLU A 257 -18.491 5.968 -0.743 1.00 0.00 C ATOM 1084 O GLU A 257 -18.833 5.183 -1.634 1.00 0.00 O ATOM 1085 CB GLU A 257 -18.217 8.259 -1.949 1.00 0.00 C ATOM 1086 CG GLU A 257 -19.540 8.813 -1.499 1.00 0.00 C ATOM 1087 CD GLU A 257 -20.311 9.555 -2.599 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -19.739 9.898 -3.657 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -21.517 9.854 -2.416 1.00 0.00 O ATOM 0 H GLU A 257 -15.612 7.088 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 257 -17.557 7.670 -0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -17.507 9.080 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -18.338 7.824 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -20.157 7.996 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -19.373 9.494 -0.664 1.00 0.00 H new ATOM 1096 N TRP A 258 -18.828 5.785 0.537 1.00 0.00 N ATOM 1097 CA TRP A 258 -19.866 4.872 0.992 1.00 0.00 C ATOM 1098 C TRP A 258 -21.201 5.329 0.446 1.00 0.00 C ATOM 1099 O TRP A 258 -21.476 6.526 0.340 1.00 0.00 O ATOM 1100 CB TRP A 258 -19.934 4.799 2.521 1.00 0.00 C ATOM 1101 CG TRP A 258 -21.175 4.143 3.069 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.326 2.838 3.387 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.498 4.739 3.246 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.631 2.608 3.778 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -23.416 3.725 3.638 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -23.034 6.019 3.014 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.789 3.965 3.800 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -24.412 6.265 3.136 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -25.291 5.251 3.551 1.00 0.00 C ATOM 0 H TRP A 258 -18.371 6.283 1.301 1.00 0.00 H new ATOM 0 HA TRP A 258 -19.624 3.874 0.625 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.062 4.254 2.884 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -19.868 5.810 2.922 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.547 2.091 3.342 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -22.971 1.713 4.130 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -22.374 6.828 2.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -25.450 3.170 4.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -24.800 7.247 2.908 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -26.343 5.459 3.677 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.063 4.359 0.153 1.00 0.00 N ATOM 1121 CA LYS A 259 -23.395 4.604 -0.346 1.00 0.00 C ATOM 1122 C LYS A 259 -24.300 3.488 0.165 1.00 0.00 C ATOM 1123 O LYS A 259 -23.803 2.385 0.410 1.00 0.00 O ATOM 1124 CB LYS A 259 -23.381 4.651 -1.888 1.00 0.00 C ATOM 1125 CG LYS A 259 -22.212 5.465 -2.481 1.00 0.00 C ATOM 1126 CD LYS A 259 -22.271 5.658 -3.992 1.00 0.00 C ATOM 1127 CE LYS A 259 -23.519 6.443 -4.400 1.00 0.00 C ATOM 1128 NZ LYS A 259 -23.322 7.141 -5.681 1.00 0.00 N ATOM 0 H LYS A 259 -21.843 3.369 0.260 1.00 0.00 H new ATOM 0 HA LYS A 259 -23.769 5.566 0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -23.332 3.632 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -24.321 5.078 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -22.191 6.445 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -21.276 4.967 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -21.379 6.186 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -22.272 4.686 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -24.367 5.763 -4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -23.764 7.168 -3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -24.187 7.663 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -22.528 7.807 -5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -23.112 6.446 -6.426 1.00 0.00 H new ATOM 1142 N PRO A 260 -25.608 3.731 0.285 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.579 2.716 0.658 1.00 0.00 C ATOM 1144 C PRO A 260 -26.947 1.893 -0.589 1.00 0.00 C ATOM 1145 O PRO A 260 -28.043 2.048 -1.137 1.00 0.00 O ATOM 1146 CB PRO A 260 -27.742 3.527 1.236 1.00 0.00 C ATOM 1147 CG PRO A 260 -27.722 4.829 0.436 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.248 5.027 0.106 1.00 0.00 C ATOM 0 HA PRO A 260 -26.230 1.984 1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.690 3.002 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.608 3.712 2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.328 4.754 -0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -28.118 5.662 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -26.124 5.383 -0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -25.801 5.775 0.761 1.00 0.00 H new ATOM 1156 N ARG A 261 -26.009 1.103 -1.127 1.00 0.00 N ATOM 1157 CA ARG A 261 -26.179 0.277 -2.323 1.00 0.00 C ATOM 1158 C ARG A 261 -24.896 -0.480 -2.592 1.00 0.00 C ATOM 1159 O ARG A 261 -24.945 -1.513 -3.298 1.00 0.00 O ATOM 1160 CB ARG A 261 -26.528 1.152 -3.539 1.00 0.00 C ATOM 1161 CG ARG A 261 -27.852 0.740 -4.192 1.00 0.00 C ATOM 1162 CD ARG A 261 -28.214 1.846 -5.181 1.00 0.00 C ATOM 1163 NE ARG A 261 -29.340 1.506 -6.057 1.00 0.00 N ATOM 1164 CZ ARG A 261 -29.710 2.201 -7.138 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -29.032 3.284 -7.499 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -30.752 1.811 -7.859 1.00 0.00 N ATOM 0 H ARG A 261 -25.076 1.021 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 261 -26.996 -0.425 -2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -26.588 2.195 -3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -25.726 1.084 -4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -27.751 -0.218 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -28.633 0.620 -3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -28.457 2.752 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -27.342 2.072 -5.795 1.00 0.00 H new ATOM 0 HE ARG A 261 -29.883 0.675 -5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -28.227 3.588 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -29.316 3.812 -8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -31.275 0.978 -7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -31.031 2.344 -8.683 1.00 0.00 H new