USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=8 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 SER OG : rot 12:sc= 1.04 USER MOD Single : A 215 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.509) USER MOD Single : A 221 LYS NZ :NH3+ 140:sc= 1.27 (180deg=0.00143) USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 231 LYS NZ :NH3+ -162:sc= -0.169 (180deg=-0.563) USER MOD Single : A 232 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.276) USER MOD Single : A 240 MET CE :methyl 153:sc= 0 (180deg=-0.879) USER MOD Single : A 250 GLN : amide:sc= 0.294 X(o=0.29,f=0) USER MOD Single : A 251 ASN : amide:sc= 0.451 X(o=0.45,f=0) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 259 LYS NZ :NH3+ -160:sc= 0.869 (180deg=0.507) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -6.287 3.556 19.599 1.00 0.00 N ATOM 124 CA ASP A 195 -5.615 4.468 18.663 1.00 0.00 C ATOM 125 C ASP A 195 -5.545 3.811 17.285 1.00 0.00 C ATOM 126 O ASP A 195 -6.396 4.064 16.436 1.00 0.00 O ATOM 127 CB ASP A 195 -4.261 4.979 19.207 1.00 0.00 C ATOM 128 CG ASP A 195 -3.279 5.500 18.139 1.00 0.00 C ATOM 129 OD1 ASP A 195 -3.652 6.343 17.287 1.00 0.00 O ATOM 130 OD2 ASP A 195 -2.093 5.100 18.198 1.00 0.00 O ATOM 0 HA ASP A 195 -6.203 5.379 18.553 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -4.453 5.779 19.922 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -3.780 4.170 19.756 1.00 0.00 H new ATOM 135 N ALA A 196 -4.592 2.911 17.078 1.00 0.00 N ATOM 136 CA ALA A 196 -4.395 2.183 15.828 1.00 0.00 C ATOM 137 C ALA A 196 -3.813 0.780 16.025 1.00 0.00 C ATOM 138 O ALA A 196 -3.435 0.126 15.054 1.00 0.00 O ATOM 139 CB ALA A 196 -3.504 3.017 14.898 1.00 0.00 C ATOM 0 H ALA A 196 -3.913 2.659 17.797 1.00 0.00 H new ATOM 0 HA ALA A 196 -5.376 2.033 15.378 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -3.352 2.480 13.962 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -3.986 3.973 14.694 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -2.540 3.191 15.377 1.00 0.00 H new ATOM 145 N ALA A 197 -3.730 0.297 17.263 1.00 0.00 N ATOM 146 CA ALA A 197 -2.964 -0.899 17.629 1.00 0.00 C ATOM 147 C ALA A 197 -3.861 -2.063 18.068 1.00 0.00 C ATOM 148 O ALA A 197 -3.415 -2.930 18.819 1.00 0.00 O ATOM 149 CB ALA A 197 -1.940 -0.523 18.705 1.00 0.00 C ATOM 0 H ALA A 197 -4.201 0.732 18.057 1.00 0.00 H new ATOM 0 HA ALA A 197 -2.439 -1.260 16.745 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -1.365 -1.406 18.984 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -1.267 0.240 18.315 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -2.459 -0.136 19.582 1.00 0.00 H new ATOM 155 N LYS A 198 -5.123 -2.069 17.607 1.00 0.00 N ATOM 156 CA LYS A 198 -6.205 -2.926 18.104 1.00 0.00 C ATOM 157 C LYS A 198 -5.739 -4.378 18.323 1.00 0.00 C ATOM 158 O LYS A 198 -5.569 -5.085 17.326 1.00 0.00 O ATOM 159 CB LYS A 198 -7.478 -2.840 17.232 1.00 0.00 C ATOM 160 CG LYS A 198 -7.348 -3.125 15.722 1.00 0.00 C ATOM 161 CD LYS A 198 -8.417 -2.435 14.841 1.00 0.00 C ATOM 162 CE LYS A 198 -7.894 -1.657 13.619 1.00 0.00 C ATOM 163 NZ LYS A 198 -7.554 -2.520 12.465 1.00 0.00 N ATOM 0 H LYS A 198 -5.425 -1.454 16.851 1.00 0.00 H new ATOM 0 HA LYS A 198 -6.483 -2.536 19.083 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -8.209 -3.538 17.641 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -7.893 -1.839 17.347 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -6.361 -2.805 15.389 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -7.405 -4.202 15.563 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -9.114 -3.196 14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -8.985 -1.747 15.467 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -8.648 -0.933 13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -7.010 -1.091 13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -7.210 -1.931 11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -6.813 -3.195 12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -8.401 -3.042 12.160 1.00 0.00 H new ATOM 177 N PRO A 199 -5.570 -4.856 19.571 1.00 0.00 N ATOM 178 CA PRO A 199 -4.925 -6.134 19.875 1.00 0.00 C ATOM 179 C PRO A 199 -5.898 -7.327 19.781 1.00 0.00 C ATOM 180 O PRO A 199 -5.890 -8.222 20.627 1.00 0.00 O ATOM 181 CB PRO A 199 -4.367 -5.928 21.289 1.00 0.00 C ATOM 182 CG PRO A 199 -5.405 -5.030 21.942 1.00 0.00 C ATOM 183 CD PRO A 199 -5.781 -4.104 20.797 1.00 0.00 C ATOM 0 HA PRO A 199 -4.147 -6.391 19.157 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -4.259 -6.873 21.821 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -3.383 -5.459 21.270 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -6.262 -5.595 22.309 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -4.996 -4.484 22.792 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -6.820 -3.784 20.882 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -5.168 -3.203 20.810 1.00 0.00 H new ATOM 191 N GLU A 200 -6.722 -7.346 18.737 1.00 0.00 N ATOM 192 CA GLU A 200 -7.585 -8.434 18.268 1.00 0.00 C ATOM 193 C GLU A 200 -8.202 -8.011 16.917 1.00 0.00 C ATOM 194 O GLU A 200 -9.248 -8.497 16.511 1.00 0.00 O ATOM 195 CB GLU A 200 -8.643 -8.812 19.329 1.00 0.00 C ATOM 196 CG GLU A 200 -9.579 -9.971 18.923 1.00 0.00 C ATOM 197 CD GLU A 200 -9.792 -11.028 20.010 1.00 0.00 C ATOM 198 OE1 GLU A 200 -8.845 -11.809 20.242 1.00 0.00 O ATOM 199 OE2 GLU A 200 -10.914 -11.146 20.572 1.00 0.00 O ATOM 0 H GLU A 200 -6.813 -6.524 18.140 1.00 0.00 H new ATOM 0 HA GLU A 200 -7.002 -9.342 18.113 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -8.131 -9.083 20.252 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -9.249 -7.933 19.547 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -10.547 -9.557 18.642 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -9.171 -10.457 18.037 1.00 0.00 H new ATOM 206 N ASP A 201 -7.589 -7.055 16.210 1.00 0.00 N ATOM 207 CA ASP A 201 -7.992 -6.568 14.884 1.00 0.00 C ATOM 208 C ASP A 201 -9.402 -5.943 14.886 1.00 0.00 C ATOM 209 O ASP A 201 -10.001 -5.718 13.837 1.00 0.00 O ATOM 210 CB ASP A 201 -7.813 -7.672 13.846 1.00 0.00 C ATOM 211 CG ASP A 201 -6.457 -8.381 13.869 1.00 0.00 C ATOM 212 OD1 ASP A 201 -5.408 -7.700 13.890 1.00 0.00 O ATOM 213 OD2 ASP A 201 -6.452 -9.638 13.812 1.00 0.00 O ATOM 0 H ASP A 201 -6.760 -6.577 16.562 1.00 0.00 H new ATOM 0 HA ASP A 201 -7.332 -5.748 14.602 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -8.596 -8.416 13.993 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -7.963 -7.243 12.855 1.00 0.00 H new ATOM 218 N TRP A 202 -9.920 -5.608 16.070 1.00 0.00 N ATOM 219 CA TRP A 202 -11.349 -5.522 16.341 1.00 0.00 C ATOM 220 C TRP A 202 -11.964 -4.132 16.320 1.00 0.00 C ATOM 221 O TRP A 202 -13.187 -4.031 16.364 1.00 0.00 O ATOM 222 CB TRP A 202 -11.574 -6.184 17.699 1.00 0.00 C ATOM 223 CG TRP A 202 -10.955 -5.669 18.966 1.00 0.00 C ATOM 224 CD1 TRP A 202 -10.169 -4.585 19.123 1.00 0.00 C ATOM 225 CD2 TRP A 202 -11.017 -6.296 20.280 1.00 0.00 C ATOM 226 NE1 TRP A 202 -9.656 -4.558 20.400 1.00 0.00 N ATOM 227 CE2 TRP A 202 -10.125 -5.611 21.152 1.00 0.00 C ATOM 228 CE3 TRP A 202 -11.677 -7.429 20.798 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -9.869 -6.053 22.456 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -11.486 -7.832 22.131 1.00 0.00 C ATOM 231 CH2 TRP A 202 -10.574 -7.157 22.960 1.00 0.00 C ATOM 0 H TRP A 202 -9.342 -5.385 16.881 1.00 0.00 H new ATOM 0 HA TRP A 202 -11.860 -6.025 15.520 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -12.651 -6.198 17.863 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -11.254 -7.221 17.596 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -9.971 -3.847 18.360 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -9.010 -3.848 20.745 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -12.340 -7.996 20.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -9.136 -5.549 23.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -12.046 -8.669 22.522 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -10.417 -7.485 23.977 1.00 0.00 H new ATOM 242 N ASP A 203 -11.144 -3.080 16.328 1.00 0.00 N ATOM 243 CA ASP A 203 -11.539 -1.698 16.615 1.00 0.00 C ATOM 244 C ASP A 203 -12.536 -1.603 17.781 1.00 0.00 C ATOM 245 O ASP A 203 -13.642 -1.095 17.654 1.00 0.00 O ATOM 246 CB ASP A 203 -11.905 -0.912 15.342 1.00 0.00 C ATOM 247 CG ASP A 203 -13.084 -1.442 14.510 1.00 0.00 C ATOM 248 OD1 ASP A 203 -12.837 -2.258 13.585 1.00 0.00 O ATOM 249 OD2 ASP A 203 -14.204 -0.917 14.674 1.00 0.00 O ATOM 0 H ASP A 203 -10.148 -3.170 16.127 1.00 0.00 H new ATOM 0 HA ASP A 203 -10.662 -1.171 16.990 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -12.128 0.115 15.630 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -11.025 -0.878 14.700 1.00 0.00 H new ATOM 254 N GLU A 204 -12.117 -2.108 18.954 1.00 0.00 N ATOM 255 CA GLU A 204 -12.912 -2.141 20.195 1.00 0.00 C ATOM 256 C GLU A 204 -14.244 -2.879 19.991 1.00 0.00 C ATOM 257 O GLU A 204 -15.258 -2.586 20.619 1.00 0.00 O ATOM 258 CB GLU A 204 -13.013 -0.707 20.764 1.00 0.00 C ATOM 259 CG GLU A 204 -12.577 -0.598 22.237 1.00 0.00 C ATOM 260 CD GLU A 204 -13.655 -0.968 23.273 1.00 0.00 C ATOM 261 OE1 GLU A 204 -13.810 -2.148 23.670 1.00 0.00 O ATOM 262 OE2 GLU A 204 -14.306 -0.043 23.818 1.00 0.00 O ATOM 0 H GLU A 204 -11.189 -2.516 19.069 1.00 0.00 H new ATOM 0 HA GLU A 204 -12.415 -2.735 20.962 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -12.396 -0.041 20.161 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -14.042 -0.360 20.671 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -11.712 -1.243 22.391 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -12.250 0.424 22.427 1.00 0.00 H new ATOM 269 N ARG A 205 -14.195 -3.876 19.101 1.00 0.00 N ATOM 270 CA ARG A 205 -15.275 -4.695 18.594 1.00 0.00 C ATOM 271 C ARG A 205 -16.347 -3.885 17.853 1.00 0.00 C ATOM 272 O ARG A 205 -17.488 -4.347 17.786 1.00 0.00 O ATOM 273 CB ARG A 205 -15.800 -5.621 19.704 1.00 0.00 C ATOM 274 CG ARG A 205 -16.252 -6.944 19.068 1.00 0.00 C ATOM 275 CD ARG A 205 -15.117 -7.981 18.964 1.00 0.00 C ATOM 276 NE ARG A 205 -14.924 -8.501 17.597 1.00 0.00 N ATOM 277 CZ ARG A 205 -15.847 -9.014 16.778 1.00 0.00 C ATOM 278 NH1 ARG A 205 -17.085 -9.251 17.199 1.00 0.00 N ATOM 279 NH2 ARG A 205 -15.536 -9.278 15.519 1.00 0.00 N ATOM 0 H ARG A 205 -13.305 -4.147 18.683 1.00 0.00 H new ATOM 0 HA ARG A 205 -14.885 -5.347 17.812 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -15.021 -5.804 20.444 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -16.632 -5.150 20.227 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -17.067 -7.364 19.657 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -16.648 -6.745 18.072 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -14.187 -7.527 19.307 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -15.332 -8.813 19.635 1.00 0.00 H new ATOM 0 HE ARG A 205 -13.972 -8.465 17.233 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -17.345 -9.041 18.163 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -17.775 -9.643 16.558 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -14.594 -9.090 15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -16.238 -9.670 14.892 1.00 0.00 H new ATOM 293 N ALA A 206 -15.987 -2.742 17.255 1.00 0.00 N ATOM 294 CA ALA A 206 -16.880 -1.845 16.519 1.00 0.00 C ATOM 295 C ALA A 206 -18.142 -1.560 17.342 1.00 0.00 C ATOM 296 O ALA A 206 -19.254 -2.015 17.037 1.00 0.00 O ATOM 297 CB ALA A 206 -17.177 -2.400 15.116 1.00 0.00 C ATOM 0 H ALA A 206 -15.024 -2.405 17.273 1.00 0.00 H new ATOM 0 HA ALA A 206 -16.385 -0.886 16.364 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -17.842 -1.717 14.588 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -16.245 -2.501 14.560 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -17.655 -3.376 15.204 1.00 0.00 H new ATOM 408 N SER A 214 -23.606 0.794 10.094 1.00 0.00 N ATOM 409 CA SER A 214 -23.522 1.532 8.838 1.00 0.00 C ATOM 410 C SER A 214 -22.059 1.950 8.662 1.00 0.00 C ATOM 411 O SER A 214 -21.689 3.062 9.032 1.00 0.00 O ATOM 412 CB SER A 214 -24.485 2.738 8.879 1.00 0.00 C ATOM 413 OG SER A 214 -25.050 3.081 7.619 1.00 0.00 O ATOM 0 HA SER A 214 -23.825 0.926 7.984 1.00 0.00 H new ATOM 0 HB2 SER A 214 -25.292 2.520 9.578 1.00 0.00 H new ATOM 0 HB3 SER A 214 -23.949 3.602 9.271 1.00 0.00 H new ATOM 0 HG SER A 214 -24.875 2.363 6.975 1.00 0.00 H new ATOM 419 N LYS A 215 -21.228 1.043 8.132 1.00 0.00 N ATOM 420 CA LYS A 215 -19.775 1.175 7.986 1.00 0.00 C ATOM 421 C LYS A 215 -19.062 1.243 9.347 1.00 0.00 C ATOM 422 O LYS A 215 -19.255 2.203 10.094 1.00 0.00 O ATOM 423 CB LYS A 215 -19.420 2.338 7.034 1.00 0.00 C ATOM 424 CG LYS A 215 -18.079 3.015 7.308 1.00 0.00 C ATOM 425 CD LYS A 215 -17.847 4.161 6.315 1.00 0.00 C ATOM 426 CE LYS A 215 -17.066 3.706 5.069 1.00 0.00 C ATOM 427 NZ LYS A 215 -16.629 4.860 4.250 1.00 0.00 N ATOM 0 H LYS A 215 -21.571 0.151 7.775 1.00 0.00 H new ATOM 0 HA LYS A 215 -19.394 0.269 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -19.417 1.961 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -20.207 3.089 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -18.060 3.399 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -17.273 2.286 7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -18.808 4.573 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -17.300 4.963 6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -16.196 3.126 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -17.692 3.047 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -15.880 4.557 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -17.437 5.226 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -16.263 5.609 4.872 1.00 0.00 H new ATOM 441 N PRO A 216 -18.222 0.259 9.702 1.00 0.00 N ATOM 442 CA PRO A 216 -17.269 0.411 10.782 1.00 0.00 C ATOM 443 C PRO A 216 -16.014 1.108 10.261 1.00 0.00 C ATOM 444 O PRO A 216 -15.822 1.268 9.055 1.00 0.00 O ATOM 445 CB PRO A 216 -16.951 -1.013 11.203 1.00 0.00 C ATOM 446 CG PRO A 216 -16.905 -1.718 9.859 1.00 0.00 C ATOM 447 CD PRO A 216 -17.953 -0.987 9.011 1.00 0.00 C ATOM 0 HA PRO A 216 -17.650 1.010 11.609 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -16.003 -1.082 11.736 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -17.716 -1.428 11.859 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -15.914 -1.653 9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -17.142 -2.777 9.957 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -17.581 -0.803 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -18.860 -1.583 8.912 1.00 0.00 H new ATOM 455 N GLU A 217 -15.102 1.400 11.169 1.00 0.00 N ATOM 456 CA GLU A 217 -13.861 2.120 10.911 1.00 0.00 C ATOM 457 C GLU A 217 -12.815 1.217 10.256 1.00 0.00 C ATOM 458 O GLU A 217 -11.782 1.682 9.782 1.00 0.00 O ATOM 459 CB GLU A 217 -13.410 2.765 12.230 1.00 0.00 C ATOM 460 CG GLU A 217 -12.358 3.867 12.053 1.00 0.00 C ATOM 461 CD GLU A 217 -12.253 4.704 13.324 1.00 0.00 C ATOM 462 OE1 GLU A 217 -11.722 4.189 14.330 1.00 0.00 O ATOM 463 OE2 GLU A 217 -12.777 5.846 13.348 1.00 0.00 O ATOM 0 H GLU A 217 -15.206 1.133 12.148 1.00 0.00 H new ATOM 0 HA GLU A 217 -14.012 2.917 10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -14.280 3.184 12.735 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -13.006 1.991 12.882 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -11.390 3.422 11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -12.626 4.504 11.210 1.00 0.00 H new ATOM 470 N ASP A 218 -13.128 -0.076 10.122 1.00 0.00 N ATOM 471 CA ASP A 218 -12.403 -0.953 9.204 1.00 0.00 C ATOM 472 C ASP A 218 -12.678 -0.553 7.757 1.00 0.00 C ATOM 473 O ASP A 218 -11.740 -0.388 6.978 1.00 0.00 O ATOM 474 CB ASP A 218 -12.760 -2.436 9.380 1.00 0.00 C ATOM 475 CG ASP A 218 -12.079 -3.235 8.265 1.00 0.00 C ATOM 476 OD1 ASP A 218 -10.845 -3.423 8.346 1.00 0.00 O ATOM 477 OD2 ASP A 218 -12.778 -3.583 7.278 1.00 0.00 O ATOM 0 H ASP A 218 -13.878 -0.536 10.638 1.00 0.00 H new ATOM 0 HA ASP A 218 -11.346 -0.832 9.443 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -12.431 -2.792 10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -13.841 -2.573 9.339 1.00 0.00 H new ATOM 482 N TRP A 219 -13.952 -0.415 7.374 1.00 0.00 N ATOM 483 CA TRP A 219 -14.311 -0.260 5.973 1.00 0.00 C ATOM 484 C TRP A 219 -13.751 1.051 5.434 1.00 0.00 C ATOM 485 O TRP A 219 -13.392 1.119 4.256 1.00 0.00 O ATOM 486 CB TRP A 219 -15.836 -0.328 5.827 1.00 0.00 C ATOM 487 CG TRP A 219 -16.385 -0.276 4.433 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.318 0.779 3.588 1.00 0.00 C ATOM 489 CD2 TRP A 219 -17.065 -1.330 3.688 1.00 0.00 C ATOM 490 NE1 TRP A 219 -16.941 0.474 2.401 1.00 0.00 N ATOM 491 CE2 TRP A 219 -17.390 -0.823 2.397 1.00 0.00 C ATOM 492 CE3 TRP A 219 -17.419 -2.670 3.958 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.014 -1.601 1.418 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -18.068 -3.458 2.988 1.00 0.00 C ATOM 495 CH2 TRP A 219 -18.349 -2.925 1.717 1.00 0.00 C ATOM 0 H TRP A 219 -14.744 -0.408 8.017 1.00 0.00 H new ATOM 0 HA TRP A 219 -13.877 -1.069 5.386 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -16.181 -1.251 6.294 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -16.269 0.497 6.393 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -15.844 1.723 3.813 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.055 1.126 1.625 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -17.189 -3.097 4.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -18.234 -1.186 0.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -18.351 -4.474 3.221 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -18.826 -3.541 0.969 1.00 0.00 H new ATOM 506 N ASP A 220 -13.682 2.083 6.279 1.00 0.00 N ATOM 507 CA ASP A 220 -13.033 3.343 5.944 1.00 0.00 C ATOM 508 C ASP A 220 -11.511 3.148 5.947 1.00 0.00 C ATOM 509 O ASP A 220 -10.796 3.476 6.896 1.00 0.00 O ATOM 510 CB ASP A 220 -13.543 4.492 6.840 1.00 0.00 C ATOM 511 CG ASP A 220 -13.971 5.679 5.982 1.00 0.00 C ATOM 512 OD1 ASP A 220 -13.275 6.017 4.998 1.00 0.00 O ATOM 513 OD2 ASP A 220 -15.114 6.157 6.141 1.00 0.00 O ATOM 0 H ASP A 220 -14.078 2.063 7.219 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.302 3.651 4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -14.384 4.148 7.442 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -12.759 4.798 7.532 1.00 0.00 H new ATOM 518 N LYS A 221 -11.012 2.495 4.894 1.00 0.00 N ATOM 519 CA LYS A 221 -9.585 2.357 4.635 1.00 0.00 C ATOM 520 C LYS A 221 -9.073 3.701 4.116 1.00 0.00 C ATOM 521 O LYS A 221 -9.797 4.382 3.387 1.00 0.00 O ATOM 522 CB LYS A 221 -9.323 1.264 3.587 1.00 0.00 C ATOM 523 CG LYS A 221 -9.734 -0.153 4.025 1.00 0.00 C ATOM 524 CD LYS A 221 -8.833 -0.776 5.104 1.00 0.00 C ATOM 525 CE LYS A 221 -9.475 -2.077 5.620 1.00 0.00 C ATOM 526 NZ LYS A 221 -8.727 -2.716 6.724 1.00 0.00 N ATOM 0 H LYS A 221 -11.598 2.044 4.192 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.070 2.072 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -9.860 1.518 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -8.261 1.261 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -10.757 -0.121 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -9.734 -0.804 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -7.845 -0.984 4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -8.695 -0.075 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -10.489 -1.862 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -9.558 -2.783 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -9.397 -3.085 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -8.154 -3.498 6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -8.104 -2.015 7.173 1.00 0.00 H new ATOM 540 N PRO A 222 -7.813 4.061 4.389 1.00 0.00 N ATOM 541 CA PRO A 222 -7.264 5.320 3.920 1.00 0.00 C ATOM 542 C PRO A 222 -7.133 5.305 2.395 1.00 0.00 C ATOM 543 O PRO A 222 -7.041 4.245 1.755 1.00 0.00 O ATOM 544 CB PRO A 222 -5.924 5.480 4.644 1.00 0.00 C ATOM 545 CG PRO A 222 -5.512 4.058 5.016 1.00 0.00 C ATOM 546 CD PRO A 222 -6.825 3.281 5.108 1.00 0.00 C ATOM 0 HA PRO A 222 -7.906 6.172 4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.181 5.952 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -6.025 6.108 5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -4.850 3.629 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -4.973 4.038 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -6.720 2.288 4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.122 3.141 6.147 1.00 0.00 H new ATOM 554 N GLU A 223 -7.094 6.503 1.812 1.00 0.00 N ATOM 555 CA GLU A 223 -6.993 6.693 0.377 1.00 0.00 C ATOM 556 C GLU A 223 -5.614 6.256 -0.082 1.00 0.00 C ATOM 557 O GLU A 223 -5.520 5.532 -1.065 1.00 0.00 O ATOM 558 CB GLU A 223 -7.232 8.150 -0.061 1.00 0.00 C ATOM 559 CG GLU A 223 -8.404 8.852 0.637 1.00 0.00 C ATOM 560 CD GLU A 223 -8.043 9.458 2.000 1.00 0.00 C ATOM 561 OE1 GLU A 223 -6.949 9.183 2.547 1.00 0.00 O ATOM 562 OE2 GLU A 223 -8.848 10.275 2.500 1.00 0.00 O ATOM 0 H GLU A 223 -7.133 7.377 2.336 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.776 6.090 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.323 8.723 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.407 8.166 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -8.781 9.642 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.215 8.137 0.772 1.00 0.00 H new ATOM 569 N HIS A 224 -4.568 6.709 0.611 1.00 0.00 N ATOM 570 CA HIS A 224 -3.173 6.378 0.345 1.00 0.00 C ATOM 571 C HIS A 224 -2.775 5.226 1.270 1.00 0.00 C ATOM 572 O HIS A 224 -2.823 5.389 2.493 1.00 0.00 O ATOM 573 CB HIS A 224 -2.296 7.627 0.505 1.00 0.00 C ATOM 574 CG HIS A 224 -2.648 8.710 -0.482 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.556 9.724 -0.282 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.140 8.846 -1.748 1.00 0.00 C ATOM 577 CE1 HIS A 224 -3.591 10.456 -1.401 1.00 0.00 C ATOM 578 NE2 HIS A 224 -2.740 9.974 -2.326 1.00 0.00 N ATOM 0 H HIS A 224 -4.677 7.341 1.404 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.029 6.046 -0.683 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.403 8.015 1.518 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.249 7.351 0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -1.410 8.201 -2.215 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -4.221 11.322 -1.544 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -2.567 10.352 -3.257 1.00 0.00 H new ATOM 586 N ILE A 225 -2.401 4.083 0.689 1.00 0.00 N ATOM 587 CA ILE A 225 -1.918 2.876 1.364 1.00 0.00 C ATOM 588 C ILE A 225 -0.498 2.551 0.879 1.00 0.00 C ATOM 589 O ILE A 225 -0.144 2.955 -0.231 1.00 0.00 O ATOM 590 CB ILE A 225 -2.878 1.693 1.112 1.00 0.00 C ATOM 591 CG1 ILE A 225 -3.066 1.382 -0.395 1.00 0.00 C ATOM 592 CG2 ILE A 225 -4.208 1.953 1.836 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.702 0.011 -0.656 1.00 0.00 C ATOM 0 H ILE A 225 -2.429 3.969 -0.324 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.888 3.052 2.439 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.429 0.790 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.689 2.155 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -2.097 1.426 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.887 1.119 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -4.026 2.053 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.655 2.872 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.805 -0.144 -1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -3.068 -0.770 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.685 -0.029 -0.187 1.00 0.00 H new ATOM 605 N PRO A 226 0.332 1.835 1.658 1.00 0.00 N ATOM 606 CA PRO A 226 1.669 1.478 1.201 1.00 0.00 C ATOM 607 C PRO A 226 1.529 0.430 0.091 1.00 0.00 C ATOM 608 O PRO A 226 0.654 -0.434 0.201 1.00 0.00 O ATOM 609 CB PRO A 226 2.384 0.949 2.448 1.00 0.00 C ATOM 610 CG PRO A 226 1.260 0.363 3.300 1.00 0.00 C ATOM 611 CD PRO A 226 0.029 1.196 2.933 1.00 0.00 C ATOM 0 HA PRO A 226 2.240 2.304 0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.126 0.193 2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 226 2.910 1.746 2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.105 -0.693 3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 226 1.487 0.438 4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.857 0.566 2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -0.180 1.941 3.701 1.00 0.00 H new ATOM 619 N ASP A 227 2.352 0.490 -0.963 1.00 0.00 N ATOM 620 CA ASP A 227 2.376 -0.460 -2.064 1.00 0.00 C ATOM 621 C ASP A 227 2.382 -1.930 -1.604 1.00 0.00 C ATOM 622 O ASP A 227 3.436 -2.438 -1.221 1.00 0.00 O ATOM 623 CB ASP A 227 3.534 -0.135 -3.024 1.00 0.00 C ATOM 624 CG ASP A 227 4.983 -0.255 -2.576 1.00 0.00 C ATOM 625 OD1 ASP A 227 5.282 -0.238 -1.363 1.00 0.00 O ATOM 626 OD2 ASP A 227 5.828 -0.253 -3.508 1.00 0.00 O ATOM 0 H ASP A 227 3.043 1.233 -1.069 1.00 0.00 H new ATOM 0 HA ASP A 227 1.440 -0.346 -2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.416 -0.778 -3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 227 3.389 0.891 -3.363 1.00 0.00 H new ATOM 631 N PRO A 228 1.245 -2.658 -1.643 1.00 0.00 N ATOM 632 CA PRO A 228 1.213 -4.049 -1.188 1.00 0.00 C ATOM 633 C PRO A 228 2.096 -4.956 -2.055 1.00 0.00 C ATOM 634 O PRO A 228 2.520 -6.027 -1.613 1.00 0.00 O ATOM 635 CB PRO A 228 -0.253 -4.498 -1.224 1.00 0.00 C ATOM 636 CG PRO A 228 -1.041 -3.357 -1.870 1.00 0.00 C ATOM 637 CD PRO A 228 -0.034 -2.261 -2.218 1.00 0.00 C ATOM 0 HA PRO A 228 1.616 -4.123 -0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 228 -0.363 -5.419 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -0.621 -4.703 -0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -1.559 -3.704 -2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.802 -2.979 -1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.049 -2.143 -3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -0.356 -1.300 -1.816 1.00 0.00 H new ATOM 645 N ASP A 229 2.396 -4.532 -3.285 1.00 0.00 N ATOM 646 CA ASP A 229 3.215 -5.284 -4.222 1.00 0.00 C ATOM 647 C ASP A 229 4.637 -5.424 -3.688 1.00 0.00 C ATOM 648 O ASP A 229 5.189 -6.527 -3.708 1.00 0.00 O ATOM 649 CB ASP A 229 3.220 -4.613 -5.608 1.00 0.00 C ATOM 650 CG ASP A 229 2.274 -5.340 -6.561 1.00 0.00 C ATOM 651 OD1 ASP A 229 2.450 -6.560 -6.791 1.00 0.00 O ATOM 652 OD2 ASP A 229 1.287 -4.725 -7.014 1.00 0.00 O ATOM 0 H ASP A 229 2.068 -3.641 -3.658 1.00 0.00 H new ATOM 0 HA ASP A 229 2.785 -6.280 -4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.919 -3.570 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 229 4.231 -4.618 -6.016 1.00 0.00 H new ATOM 657 N ALA A 230 5.222 -4.334 -3.182 1.00 0.00 N ATOM 658 CA ALA A 230 6.625 -4.270 -2.808 1.00 0.00 C ATOM 659 C ALA A 230 6.841 -4.695 -1.365 1.00 0.00 C ATOM 660 O ALA A 230 5.926 -4.595 -0.551 1.00 0.00 O ATOM 661 CB ALA A 230 7.108 -2.836 -3.024 1.00 0.00 C ATOM 0 H ALA A 230 4.720 -3.461 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 230 7.196 -4.961 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.160 -2.761 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 230 6.986 -2.565 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.523 -2.158 -2.404 1.00 0.00 H new ATOM 667 N LYS A 231 8.060 -5.153 -1.055 1.00 0.00 N ATOM 668 CA LYS A 231 8.461 -5.527 0.299 1.00 0.00 C ATOM 669 C LYS A 231 9.959 -5.375 0.579 1.00 0.00 C ATOM 670 O LYS A 231 10.544 -6.163 1.325 1.00 0.00 O ATOM 671 CB LYS A 231 7.870 -6.912 0.661 1.00 0.00 C ATOM 672 CG LYS A 231 6.909 -6.666 1.822 1.00 0.00 C ATOM 673 CD LYS A 231 6.320 -7.909 2.498 1.00 0.00 C ATOM 674 CE LYS A 231 5.102 -8.536 1.816 1.00 0.00 C ATOM 675 NZ LYS A 231 4.055 -7.548 1.491 1.00 0.00 N ATOM 0 H LYS A 231 8.800 -5.274 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 231 8.027 -4.801 0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 231 7.350 -7.349 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 231 8.657 -7.610 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 231 7.431 -6.081 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 231 6.085 -6.053 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 231 7.102 -8.665 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 231 6.043 -7.645 3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 231 5.421 -9.035 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 231 4.682 -9.303 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 3.154 -8.040 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 3.944 -6.886 2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 4.328 -7.021 0.637 1.00 0.00 H new ATOM 689 N LYS A 232 10.574 -4.341 -0.009 1.00 0.00 N ATOM 690 CA LYS A 232 11.987 -4.033 -0.029 1.00 0.00 C ATOM 691 C LYS A 232 12.715 -5.093 -0.848 1.00 0.00 C ATOM 692 O LYS A 232 12.575 -6.289 -0.572 1.00 0.00 O ATOM 693 CB LYS A 232 12.574 -3.854 1.367 1.00 0.00 C ATOM 694 CG LYS A 232 14.018 -3.351 1.266 1.00 0.00 C ATOM 695 CD LYS A 232 14.599 -2.903 2.601 1.00 0.00 C ATOM 696 CE LYS A 232 14.903 -4.062 3.547 1.00 0.00 C ATOM 697 NZ LYS A 232 13.783 -4.445 4.426 1.00 0.00 N ATOM 0 H LYS A 232 10.037 -3.644 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 232 12.127 -3.065 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 232 11.972 -3.145 1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 232 12.547 -4.801 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 232 14.643 -4.144 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.056 -2.518 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 232 15.515 -2.341 2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 232 13.898 -2.223 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 232 15.197 -4.929 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 232 15.759 -3.794 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 14.157 -4.857 5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 13.215 -3.603 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 13.186 -5.146 3.942 1.00 0.00 H new ATOM 711 N PRO A 233 13.450 -4.687 -1.890 1.00 0.00 N ATOM 712 CA PRO A 233 14.235 -5.635 -2.651 1.00 0.00 C ATOM 713 C PRO A 233 15.260 -6.287 -1.724 1.00 0.00 C ATOM 714 O PRO A 233 15.854 -5.626 -0.877 1.00 0.00 O ATOM 715 CB PRO A 233 14.873 -4.845 -3.798 1.00 0.00 C ATOM 716 CG PRO A 233 14.631 -3.370 -3.476 1.00 0.00 C ATOM 717 CD PRO A 233 13.615 -3.320 -2.353 1.00 0.00 C ATOM 0 HA PRO A 233 13.641 -6.447 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 233 15.939 -5.058 -3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.425 -5.115 -4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.560 -2.884 -3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.261 -2.840 -4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 233 13.960 -2.675 -1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.667 -2.912 -2.704 1.00 0.00 H new ATOM 725 N GLU A 234 15.545 -7.570 -1.936 1.00 0.00 N ATOM 726 CA GLU A 234 16.717 -8.209 -1.336 1.00 0.00 C ATOM 727 C GLU A 234 18.005 -7.571 -1.894 1.00 0.00 C ATOM 728 O GLU A 234 19.070 -7.618 -1.288 1.00 0.00 O ATOM 729 CB GLU A 234 16.641 -9.721 -1.612 1.00 0.00 C ATOM 730 CG GLU A 234 17.409 -10.503 -0.543 1.00 0.00 C ATOM 731 CD GLU A 234 17.245 -12.014 -0.702 1.00 0.00 C ATOM 732 OE1 GLU A 234 16.213 -12.556 -0.248 1.00 0.00 O ATOM 733 OE2 GLU A 234 18.178 -12.679 -1.204 1.00 0.00 O ATOM 0 H GLU A 234 14.981 -8.189 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 234 16.734 -8.059 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 234 15.599 -10.042 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.055 -9.938 -2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 234 18.467 -10.247 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 234 17.059 -10.203 0.445 1.00 0.00 H new ATOM 740 N ASP A 235 17.848 -6.908 -3.033 1.00 0.00 N ATOM 741 CA ASP A 235 18.750 -6.126 -3.854 1.00 0.00 C ATOM 742 C ASP A 235 18.699 -4.638 -3.439 1.00 0.00 C ATOM 743 O ASP A 235 19.104 -3.771 -4.210 1.00 0.00 O ATOM 744 CB ASP A 235 18.217 -6.386 -5.275 1.00 0.00 C ATOM 745 CG ASP A 235 18.987 -5.795 -6.450 1.00 0.00 C ATOM 746 OD1 ASP A 235 20.177 -6.149 -6.633 1.00 0.00 O ATOM 747 OD2 ASP A 235 18.319 -5.172 -7.312 1.00 0.00 O ATOM 0 H ASP A 235 16.925 -6.914 -3.468 1.00 0.00 H new ATOM 0 HA ASP A 235 19.803 -6.393 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 235 18.165 -7.465 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 235 17.195 -6.009 -5.322 1.00 0.00 H new ATOM 752 N TRP A 236 18.134 -4.304 -2.264 1.00 0.00 N ATOM 753 CA TRP A 236 18.335 -3.010 -1.607 1.00 0.00 C ATOM 754 C TRP A 236 19.600 -3.045 -0.757 1.00 0.00 C ATOM 755 O TRP A 236 20.036 -4.114 -0.322 1.00 0.00 O ATOM 756 CB TRP A 236 17.153 -2.633 -0.687 1.00 0.00 C ATOM 757 CG TRP A 236 17.154 -1.206 -0.218 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.534 -0.756 1.003 1.00 0.00 C ATOM 759 CD2 TRP A 236 16.904 -0.013 -1.012 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.531 0.631 1.008 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.188 1.138 -0.224 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.532 0.201 -2.351 1.00 0.00 C ATOM 763 CZ2 TRP A 236 17.152 2.435 -0.754 1.00 0.00 C ATOM 764 CZ3 TRP A 236 16.480 1.498 -2.897 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.834 2.612 -2.111 1.00 0.00 C ATOM 0 H TRP A 236 17.522 -4.933 -1.744 1.00 0.00 H new ATOM 0 HA TRP A 236 18.417 -2.266 -2.399 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.221 -2.826 -1.218 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.165 -3.288 0.184 1.00 0.00 H new ATOM 0 HD1 TRP A 236 17.798 -1.381 1.843 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.755 1.203 1.822 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.281 -0.646 -2.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 17.366 3.288 -0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 16.168 1.639 -3.921 1.00 0.00 H new ATOM 0 HH2 TRP A 236 16.861 3.598 -2.550 1.00 0.00 H new ATOM 776 N ASP A 237 20.110 -1.864 -0.425 1.00 0.00 N ATOM 777 CA ASP A 237 21.106 -1.656 0.598 1.00 0.00 C ATOM 778 C ASP A 237 20.890 -0.294 1.234 1.00 0.00 C ATOM 779 O ASP A 237 20.824 0.729 0.543 1.00 0.00 O ATOM 780 CB ASP A 237 22.482 -1.734 -0.036 1.00 0.00 C ATOM 781 CG ASP A 237 23.605 -1.708 1.013 1.00 0.00 C ATOM 782 OD1 ASP A 237 23.308 -1.486 2.218 1.00 0.00 O ATOM 783 OD2 ASP A 237 24.760 -1.937 0.613 1.00 0.00 O ATOM 0 H ASP A 237 19.825 -0.999 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 237 21.025 -2.421 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.558 -2.648 -0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.611 -0.899 -0.725 1.00 0.00 H new ATOM 788 N GLU A 238 20.718 -0.300 2.550 1.00 0.00 N ATOM 789 CA GLU A 238 20.418 0.870 3.350 1.00 0.00 C ATOM 790 C GLU A 238 21.633 1.486 4.029 1.00 0.00 C ATOM 791 O GLU A 238 21.575 2.653 4.429 1.00 0.00 O ATOM 792 CB GLU A 238 19.304 0.529 4.347 1.00 0.00 C ATOM 793 CG GLU A 238 19.595 -0.626 5.325 1.00 0.00 C ATOM 794 CD GLU A 238 20.058 -0.222 6.723 1.00 0.00 C ATOM 795 OE1 GLU A 238 19.231 0.359 7.466 1.00 0.00 O ATOM 796 OE2 GLU A 238 21.177 -0.610 7.123 1.00 0.00 O ATOM 0 H GLU A 238 20.787 -1.153 3.105 1.00 0.00 H new ATOM 0 HA GLU A 238 20.070 1.649 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 238 19.080 1.423 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 238 18.404 0.282 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 238 18.692 -1.228 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 238 20.358 -1.266 4.882 1.00 0.00 H new ATOM 803 N GLU A 239 22.753 0.769 4.090 1.00 0.00 N ATOM 804 CA GLU A 239 24.013 1.419 4.427 1.00 0.00 C ATOM 805 C GLU A 239 24.579 2.111 3.185 1.00 0.00 C ATOM 806 O GLU A 239 25.310 3.096 3.317 1.00 0.00 O ATOM 807 CB GLU A 239 24.993 0.443 5.106 1.00 0.00 C ATOM 808 CG GLU A 239 24.389 -0.066 6.431 1.00 0.00 C ATOM 809 CD GLU A 239 25.417 -0.578 7.436 1.00 0.00 C ATOM 810 OE1 GLU A 239 26.070 0.301 8.046 1.00 0.00 O ATOM 811 OE2 GLU A 239 25.493 -1.806 7.683 1.00 0.00 O ATOM 0 H GLU A 239 22.814 -0.234 3.916 1.00 0.00 H new ATOM 0 HA GLU A 239 23.838 2.195 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 239 25.201 -0.397 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 239 25.943 0.941 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 239 23.820 0.742 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 239 23.684 -0.867 6.211 1.00 0.00 H new ATOM 818 N MET A 240 24.161 1.674 1.991 1.00 0.00 N ATOM 819 CA MET A 240 24.407 2.384 0.751 1.00 0.00 C ATOM 820 C MET A 240 23.502 3.605 0.650 1.00 0.00 C ATOM 821 O MET A 240 23.992 4.733 0.700 1.00 0.00 O ATOM 822 CB MET A 240 24.259 1.448 -0.456 1.00 0.00 C ATOM 823 CG MET A 240 24.674 2.160 -1.756 1.00 0.00 C ATOM 824 SD MET A 240 25.219 1.120 -3.150 1.00 0.00 S ATOM 825 CE MET A 240 23.794 0.014 -3.334 1.00 0.00 C ATOM 0 H MET A 240 23.638 0.807 1.868 1.00 0.00 H new ATOM 0 HA MET A 240 25.437 2.741 0.748 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.874 0.560 -0.310 1.00 0.00 H new ATOM 0 HB3 MET A 240 23.226 1.110 -0.535 1.00 0.00 H new ATOM 0 HG2 MET A 240 23.830 2.760 -2.095 1.00 0.00 H new ATOM 0 HG3 MET A 240 25.482 2.852 -1.517 1.00 0.00 H new ATOM 0 HE1 MET A 240 23.733 -0.332 -4.366 1.00 0.00 H new ATOM 0 HE2 MET A 240 23.911 -0.843 -2.671 1.00 0.00 H new ATOM 0 HE3 MET A 240 22.881 0.551 -3.076 1.00 0.00 H new ATOM 835 N ASP A 241 22.196 3.396 0.460 1.00 0.00 N ATOM 836 CA ASP A 241 21.327 4.462 -0.064 1.00 0.00 C ATOM 837 C ASP A 241 20.390 5.043 1.001 1.00 0.00 C ATOM 838 O ASP A 241 19.662 6.004 0.733 1.00 0.00 O ATOM 839 CB ASP A 241 20.539 3.978 -1.299 1.00 0.00 C ATOM 840 CG ASP A 241 20.332 5.103 -2.314 1.00 0.00 C ATOM 841 OD1 ASP A 241 21.271 5.892 -2.544 1.00 0.00 O ATOM 842 OD2 ASP A 241 19.245 5.239 -2.918 1.00 0.00 O ATOM 0 H ASP A 241 21.720 2.515 0.656 1.00 0.00 H new ATOM 0 HA ASP A 241 21.983 5.276 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 241 21.074 3.155 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 241 19.571 3.590 -0.984 1.00 0.00 H new ATOM 847 N GLY A 242 20.434 4.502 2.221 1.00 0.00 N ATOM 848 CA GLY A 242 19.497 4.839 3.302 1.00 0.00 C ATOM 849 C GLY A 242 18.345 3.838 3.345 1.00 0.00 C ATOM 850 O GLY A 242 18.239 2.998 2.453 1.00 0.00 O ATOM 0 H GLY A 242 21.130 3.808 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.021 4.840 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.106 5.845 3.152 1.00 0.00 H new ATOM 854 N GLU A 243 17.494 3.897 4.372 1.00 0.00 N ATOM 855 CA GLU A 243 16.373 3.000 4.542 1.00 0.00 C ATOM 856 C GLU A 243 15.492 3.095 3.295 1.00 0.00 C ATOM 857 O GLU A 243 15.258 4.173 2.739 1.00 0.00 O ATOM 858 CB GLU A 243 15.637 3.308 5.855 1.00 0.00 C ATOM 859 CG GLU A 243 14.716 2.128 6.236 1.00 0.00 C ATOM 860 CD GLU A 243 13.299 2.469 6.725 1.00 0.00 C ATOM 861 OE1 GLU A 243 12.736 3.514 6.336 1.00 0.00 O ATOM 862 OE2 GLU A 243 12.657 1.627 7.413 1.00 0.00 O ATOM 0 H GLU A 243 17.576 4.588 5.118 1.00 0.00 H new ATOM 0 HA GLU A 243 16.701 1.965 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 243 16.359 3.488 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 243 15.048 4.219 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 243 14.625 1.477 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 243 15.212 1.551 7.016 1.00 0.00 H new ATOM 869 N TRP A 244 15.095 1.931 2.792 1.00 0.00 N ATOM 870 CA TRP A 244 14.120 1.845 1.739 1.00 0.00 C ATOM 871 C TRP A 244 12.807 2.396 2.278 1.00 0.00 C ATOM 872 O TRP A 244 12.317 1.948 3.321 1.00 0.00 O ATOM 873 CB TRP A 244 13.948 0.399 1.311 1.00 0.00 C ATOM 874 CG TRP A 244 12.949 0.160 0.233 1.00 0.00 C ATOM 875 CD1 TRP A 244 13.116 0.401 -1.082 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.614 -0.386 0.378 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.971 0.051 -1.766 1.00 0.00 N ATOM 878 CE2 TRP A 244 11.015 -0.477 -0.912 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.859 -0.813 1.487 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.725 -1.010 -1.075 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.592 -1.388 1.317 1.00 0.00 C ATOM 882 CH2 TRP A 244 9.036 -1.523 0.035 1.00 0.00 C ATOM 0 H TRP A 244 15.447 1.028 3.110 1.00 0.00 H new ATOM 0 HA TRP A 244 14.441 2.419 0.870 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.914 0.021 0.976 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.661 -0.188 2.184 1.00 0.00 H new ATOM 0 HD1 TRP A 244 14.010 0.806 -1.532 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.844 0.166 -2.771 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.262 -0.696 2.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.265 -1.025 -2.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.039 -1.730 2.179 1.00 0.00 H new ATOM 0 HH2 TRP A 244 8.085 -2.018 -0.096 1.00 0.00 H new ATOM 893 N GLU A 245 12.224 3.333 1.544 1.00 0.00 N ATOM 894 CA GLU A 245 10.913 3.876 1.860 1.00 0.00 C ATOM 895 C GLU A 245 9.964 3.515 0.723 1.00 0.00 C ATOM 896 O GLU A 245 10.189 3.937 -0.415 1.00 0.00 O ATOM 897 CB GLU A 245 10.941 5.387 2.079 1.00 0.00 C ATOM 898 CG GLU A 245 11.594 5.769 3.412 1.00 0.00 C ATOM 899 CD GLU A 245 11.139 7.153 3.878 1.00 0.00 C ATOM 900 OE1 GLU A 245 10.001 7.265 4.401 1.00 0.00 O ATOM 901 OE2 GLU A 245 11.899 8.131 3.711 1.00 0.00 O ATOM 0 H GLU A 245 12.649 3.738 0.710 1.00 0.00 H new ATOM 0 HA GLU A 245 10.572 3.441 2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 245 11.485 5.860 1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 245 9.923 5.775 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 245 11.341 5.027 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 245 12.679 5.758 3.304 1.00 0.00 H new ATOM 908 N PRO A 246 8.927 2.717 0.989 1.00 0.00 N ATOM 909 CA PRO A 246 7.970 2.333 -0.024 1.00 0.00 C ATOM 910 C PRO A 246 7.119 3.537 -0.447 1.00 0.00 C ATOM 911 O PRO A 246 6.789 4.389 0.387 1.00 0.00 O ATOM 912 CB PRO A 246 7.119 1.237 0.602 1.00 0.00 C ATOM 913 CG PRO A 246 7.402 1.267 2.102 1.00 0.00 C ATOM 914 CD PRO A 246 8.647 2.119 2.275 1.00 0.00 C ATOM 0 HA PRO A 246 8.459 1.975 -0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 246 6.061 1.408 0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 246 7.369 0.264 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 246 6.560 1.690 2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.561 0.261 2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 246 8.487 2.887 3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 246 9.488 1.511 2.610 1.00 0.00 H new ATOM 922 N PRO A 247 6.672 3.589 -1.711 1.00 0.00 N ATOM 923 CA PRO A 247 5.686 4.561 -2.156 1.00 0.00 C ATOM 924 C PRO A 247 4.319 4.280 -1.506 1.00 0.00 C ATOM 925 O PRO A 247 4.005 3.146 -1.119 1.00 0.00 O ATOM 926 CB PRO A 247 5.658 4.398 -3.680 1.00 0.00 C ATOM 927 CG PRO A 247 5.952 2.912 -3.876 1.00 0.00 C ATOM 928 CD PRO A 247 6.861 2.551 -2.706 1.00 0.00 C ATOM 0 HA PRO A 247 5.930 5.585 -1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.690 4.676 -4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.406 5.024 -4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.036 2.321 -3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.441 2.726 -4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.604 1.572 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.903 2.501 -3.023 1.00 0.00 H new ATOM 936 N VAL A 248 3.483 5.314 -1.420 1.00 0.00 N ATOM 937 CA VAL A 248 2.122 5.245 -0.921 1.00 0.00 C ATOM 938 C VAL A 248 1.212 5.497 -2.116 1.00 0.00 C ATOM 939 O VAL A 248 1.206 6.598 -2.674 1.00 0.00 O ATOM 940 CB VAL A 248 1.844 6.254 0.208 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.747 5.701 1.116 1.00 0.00 C ATOM 942 CG2 VAL A 248 3.023 6.633 1.106 1.00 0.00 C ATOM 0 H VAL A 248 3.751 6.255 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 248 1.942 4.266 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 248 1.568 7.165 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.546 6.412 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.161 5.543 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.073 4.753 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.692 7.349 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.406 5.740 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.812 7.080 0.501 1.00 0.00 H new ATOM 952 N ILE A 249 0.489 4.470 -2.541 1.00 0.00 N ATOM 953 CA ILE A 249 -0.341 4.486 -3.736 1.00 0.00 C ATOM 954 C ILE A 249 -1.788 4.738 -3.319 1.00 0.00 C ATOM 955 O ILE A 249 -2.139 4.516 -2.158 1.00 0.00 O ATOM 956 CB ILE A 249 -0.140 3.171 -4.514 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.729 1.944 -3.778 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.371 3.002 -4.795 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.745 0.670 -4.627 1.00 0.00 C ATOM 0 H ILE A 249 0.464 3.577 -2.049 1.00 0.00 H new ATOM 0 HA ILE A 249 -0.057 5.291 -4.414 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.689 3.229 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -0.149 1.761 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.747 2.174 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.537 2.076 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.728 3.845 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 249 1.915 2.965 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -1.171 -0.149 -4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -1.349 0.835 -5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.273 0.415 -4.920 1.00 0.00 H new ATOM 971 N GLN A 250 -2.638 5.189 -4.243 1.00 0.00 N ATOM 972 CA GLN A 250 -4.036 5.430 -3.923 1.00 0.00 C ATOM 973 C GLN A 250 -4.775 4.102 -4.110 1.00 0.00 C ATOM 974 O GLN A 250 -4.706 3.504 -5.182 1.00 0.00 O ATOM 975 CB GLN A 250 -4.597 6.606 -4.742 1.00 0.00 C ATOM 976 CG GLN A 250 -5.684 7.422 -4.006 1.00 0.00 C ATOM 977 CD GLN A 250 -7.101 6.854 -4.113 1.00 0.00 C ATOM 978 OE1 GLN A 250 -7.921 7.303 -4.909 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.465 5.910 -3.266 1.00 0.00 N ATOM 0 H GLN A 250 -2.381 5.392 -5.209 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.171 5.748 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -3.777 7.272 -5.011 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -5.014 6.221 -5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -5.415 7.490 -2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -5.685 8.438 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.789 5.532 -2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.422 5.558 -3.275 1.00 0.00 H new ATOM 988 N ASN A 251 -5.428 3.627 -3.048 1.00 0.00 N ATOM 989 CA ASN A 251 -6.214 2.401 -2.941 1.00 0.00 C ATOM 990 C ASN A 251 -6.949 2.125 -4.260 1.00 0.00 C ATOM 991 O ASN A 251 -7.825 2.922 -4.613 1.00 0.00 O ATOM 992 CB ASN A 251 -7.232 2.545 -1.792 1.00 0.00 C ATOM 993 CG ASN A 251 -7.284 1.371 -0.845 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.566 0.255 -1.262 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.142 1.590 0.452 1.00 0.00 N ATOM 0 H ASN A 251 -5.418 4.137 -2.165 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.547 1.565 -2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.992 3.443 -1.223 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -8.224 2.694 -2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -7.268 0.825 1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -6.907 2.524 0.789 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.623 1.063 -5.014 1.00 0.00 N ATOM 1003 CA PRO A 252 -7.282 0.776 -6.284 1.00 0.00 C ATOM 1004 C PRO A 252 -8.758 0.420 -6.081 1.00 0.00 C ATOM 1005 O PRO A 252 -9.578 0.639 -6.969 1.00 0.00 O ATOM 1006 CB PRO A 252 -6.499 -0.372 -6.922 1.00 0.00 C ATOM 1007 CG PRO A 252 -5.857 -1.058 -5.725 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.605 0.071 -4.737 1.00 0.00 C ATOM 0 HA PRO A 252 -7.282 1.650 -6.935 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -7.152 -1.049 -7.472 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -5.752 -0.008 -7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -6.514 -1.818 -5.302 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -4.929 -1.558 -6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -5.673 -0.285 -3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.606 0.488 -4.864 1.00 0.00 H new ATOM 1016 N GLU A 253 -9.103 -0.099 -4.901 1.00 0.00 N ATOM 1017 CA GLU A 253 -10.435 -0.581 -4.557 1.00 0.00 C ATOM 1018 C GLU A 253 -10.903 0.039 -3.231 1.00 0.00 C ATOM 1019 O GLU A 253 -11.538 -0.628 -2.419 1.00 0.00 O ATOM 1020 CB GLU A 253 -10.547 -2.114 -4.702 1.00 0.00 C ATOM 1021 CG GLU A 253 -9.638 -2.834 -3.709 1.00 0.00 C ATOM 1022 CD GLU A 253 -9.800 -4.352 -3.719 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -10.936 -4.838 -3.557 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -8.792 -5.085 -3.901 1.00 0.00 O ATOM 0 H GLU A 253 -8.437 -0.197 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 253 -11.167 -0.228 -5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -11.580 -2.422 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -10.282 -2.405 -5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -8.601 -2.587 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -9.844 -2.462 -2.705 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.554 1.308 -2.967 1.00 0.00 N ATOM 1032 CA TYR A 254 -11.232 2.162 -1.981 1.00 0.00 C ATOM 1033 C TYR A 254 -12.735 1.861 -2.054 1.00 0.00 C ATOM 1034 O TYR A 254 -13.356 2.070 -3.099 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.940 3.659 -2.242 1.00 0.00 C ATOM 1036 CG TYR A 254 -11.459 4.602 -1.165 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -12.779 5.088 -1.232 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -10.617 5.026 -0.115 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -13.257 6.016 -0.285 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -11.069 5.992 0.804 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.378 6.515 0.701 1.00 0.00 C ATOM 1042 OH TYR A 254 -12.817 7.461 1.571 1.00 0.00 O ATOM 0 H TYR A 254 -9.781 1.776 -3.440 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.860 1.947 -0.979 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.863 3.795 -2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -11.382 3.941 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -13.434 4.745 -2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -9.626 4.609 -0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -14.286 6.342 -0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -10.413 6.335 1.591 1.00 0.00 H new ATOM 0 HH TYR A 254 -12.094 7.699 2.188 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.300 1.270 -1.006 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.630 0.672 -0.974 1.00 0.00 C ATOM 1054 C LYS A 255 -15.755 1.715 -0.944 1.00 0.00 C ATOM 1055 O LYS A 255 -16.738 1.488 -0.237 1.00 0.00 O ATOM 1056 CB LYS A 255 -14.751 -0.306 0.195 1.00 0.00 C ATOM 1057 CG LYS A 255 -13.712 -1.412 0.217 1.00 0.00 C ATOM 1058 CD LYS A 255 -13.974 -2.337 1.399 1.00 0.00 C ATOM 1059 CE LYS A 255 -12.841 -3.352 1.478 1.00 0.00 C ATOM 1060 NZ LYS A 255 -12.780 -4.068 2.765 1.00 0.00 N ATOM 0 H LYS A 255 -12.818 1.191 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.752 0.121 -1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -14.682 0.255 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -15.742 -0.760 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -13.748 -1.977 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -12.712 -0.984 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -14.033 -1.763 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -14.930 -2.845 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -12.957 -4.078 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -11.893 -2.840 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -11.988 -4.742 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -12.639 -3.385 3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -13.670 -4.584 2.918 1.00 0.00 H new ATOM 1074 N GLY A 256 -15.626 2.807 -1.707 1.00 0.00 N ATOM 1075 CA GLY A 256 -16.163 4.140 -1.462 1.00 0.00 C ATOM 1076 C GLY A 256 -17.382 4.155 -0.566 1.00 0.00 C ATOM 1077 O GLY A 256 -17.263 4.269 0.664 1.00 0.00 O ATOM 0 H GLY A 256 -15.100 2.772 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -15.386 4.757 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -16.420 4.598 -2.417 1.00 0.00 H new ATOM 1081 N GLU A 257 -18.556 4.024 -1.175 1.00 0.00 N ATOM 1082 CA GLU A 257 -19.761 3.964 -0.398 1.00 0.00 C ATOM 1083 C GLU A 257 -19.996 2.527 0.035 1.00 0.00 C ATOM 1084 O GLU A 257 -20.330 1.658 -0.784 1.00 0.00 O ATOM 1085 CB GLU A 257 -20.965 4.543 -1.146 1.00 0.00 C ATOM 1086 CG GLU A 257 -21.049 6.056 -0.894 1.00 0.00 C ATOM 1087 CD GLU A 257 -20.041 6.835 -1.736 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -20.350 7.006 -2.939 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -18.979 7.247 -1.205 1.00 0.00 O ATOM 0 H GLU A 257 -18.685 3.960 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 257 -19.641 4.589 0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -20.871 4.347 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -21.882 4.057 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -22.056 6.405 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -20.871 6.258 0.162 1.00 0.00 H new ATOM 1096 N TRP A 258 -19.854 2.309 1.342 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.362 1.138 2.037 1.00 0.00 C ATOM 1098 C TRP A 258 -21.847 0.965 1.743 1.00 0.00 C ATOM 1099 O TRP A 258 -22.566 1.925 1.427 1.00 0.00 O ATOM 1100 CB TRP A 258 -20.107 1.319 3.544 1.00 0.00 C ATOM 1101 CG TRP A 258 -20.888 0.439 4.469 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -20.472 -0.694 5.079 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.280 0.601 4.855 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -21.509 -1.213 5.830 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -22.669 -0.506 5.655 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -23.277 1.536 4.531 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -23.975 -0.677 6.124 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -24.597 1.360 4.962 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -24.946 0.277 5.790 1.00 0.00 C ATOM 0 H TRP A 258 -19.369 2.962 1.958 1.00 0.00 H new ATOM 0 HA TRP A 258 -19.851 0.238 1.695 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.046 1.153 3.732 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -20.318 2.357 3.802 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -19.485 -1.125 4.993 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -21.421 -2.025 6.441 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -23.021 2.403 3.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -24.232 -1.531 6.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -25.357 2.064 4.655 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -25.954 0.182 6.165 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.309 -0.280 1.872 1.00 0.00 N ATOM 1121 CA LYS A 259 -23.712 -0.623 1.757 1.00 0.00 C ATOM 1122 C LYS A 259 -23.975 -1.840 2.632 1.00 0.00 C ATOM 1123 O LYS A 259 -23.048 -2.641 2.805 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.095 -0.920 0.291 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.316 -0.140 -0.771 1.00 0.00 C ATOM 1126 CD LYS A 259 -23.732 -0.547 -2.183 1.00 0.00 C ATOM 1127 CE LYS A 259 -22.559 -0.308 -3.131 1.00 0.00 C ATOM 1128 NZ LYS A 259 -22.061 1.083 -3.057 1.00 0.00 N ATOM 0 H LYS A 259 -21.706 -1.081 2.061 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.322 0.218 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -23.956 -1.985 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.157 -0.710 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -23.484 0.928 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.248 -0.314 -0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -24.025 -1.597 -2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -24.599 0.031 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -21.750 -0.996 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -22.868 -0.529 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -21.520 1.304 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -22.866 1.736 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -21.446 1.188 -2.225 1.00 0.00 H new ATOM 1142 N PRO A 260 -25.201 -2.025 3.139 1.00 0.00 N ATOM 1143 CA PRO A 260 -25.554 -3.146 3.992 1.00 0.00 C ATOM 1144 C PRO A 260 -25.657 -4.434 3.170 1.00 0.00 C ATOM 1145 O PRO A 260 -26.759 -4.884 2.834 1.00 0.00 O ATOM 1146 CB PRO A 260 -26.864 -2.729 4.659 1.00 0.00 C ATOM 1147 CG PRO A 260 -27.528 -1.857 3.602 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.347 -1.145 2.957 1.00 0.00 C ATOM 0 HA PRO A 260 -24.803 -3.371 4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -27.479 -3.592 4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -26.688 -2.179 5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.085 -2.453 2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -28.232 -1.152 4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -26.533 -0.960 1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -26.173 -0.176 3.424 1.00 0.00 H new ATOM 1156 N ARG A 261 -24.500 -5.053 2.906 1.00 0.00 N ATOM 1157 CA ARG A 261 -24.313 -6.206 2.048 1.00 0.00 C ATOM 1158 C ARG A 261 -24.752 -5.892 0.612 1.00 0.00 C ATOM 1159 O ARG A 261 -24.770 -6.804 -0.245 1.00 0.00 O ATOM 1160 CB ARG A 261 -24.911 -7.414 2.793 1.00 0.00 C ATOM 1161 CG ARG A 261 -24.910 -8.700 1.985 1.00 0.00 C ATOM 1162 CD ARG A 261 -26.273 -8.953 1.322 1.00 0.00 C ATOM 1163 NE ARG A 261 -26.908 -10.120 1.946 1.00 0.00 N ATOM 1164 CZ ARG A 261 -27.447 -11.130 1.276 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -28.067 -10.905 0.130 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -27.339 -12.357 1.781 1.00 0.00 N ATOM 0 H ARG A 261 -23.622 -4.735 3.316 1.00 0.00 H new ATOM 0 HA ARG A 261 -23.275 -6.485 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -24.349 -7.575 3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -25.935 -7.179 3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -24.136 -8.648 1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -24.660 -9.538 2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -26.911 -8.076 1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -26.144 -9.123 0.253 1.00 0.00 H new ATOM 0 HE ARG A 261 -26.937 -10.157 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -28.130 -9.956 -0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -28.482 -11.681 -0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -26.850 -12.504 2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -27.745 -13.150 1.285 1.00 0.00 H new