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+ -153:sc= 0.268 (180deg=-0.948) USER MOD Single : A 214 SER OG : rot 51:sc= 0.607 USER MOD Single : A 215 LYS NZ :NH3+ 160:sc= 0.668 (180deg=0.0575) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 HIS : no HD1:sc= -0.0531 X(o=-0.053,f=-0.00025) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 250 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.37) USER MOD Single : A 251 ASN : amide:sc= 0.792 K(o=0.79,f=-7.8!) USER MOD Single : A 254 TYR OH : rot 59:sc= 1.2 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 259 LYS NZ :NH3+ -157:sc= 1.3 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -8.097 25.179 10.499 1.00 0.00 N ATOM 124 CA ASP A 195 -7.606 23.911 11.006 1.00 0.00 C ATOM 125 C ASP A 195 -8.535 23.479 12.130 1.00 0.00 C ATOM 126 O ASP A 195 -8.332 23.777 13.306 1.00 0.00 O ATOM 127 CB ASP A 195 -6.156 23.993 11.494 1.00 0.00 C ATOM 128 CG ASP A 195 -5.134 24.009 10.357 1.00 0.00 C ATOM 129 OD1 ASP A 195 -5.238 24.881 9.458 1.00 0.00 O ATOM 130 OD2 ASP A 195 -4.176 23.206 10.386 1.00 0.00 O ATOM 0 HA ASP A 195 -7.603 23.178 10.199 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -6.033 24.893 12.096 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -5.951 23.144 12.145 1.00 0.00 H new ATOM 135 N ALA A 196 -9.590 22.791 11.721 1.00 0.00 N ATOM 136 CA ALA A 196 -10.602 22.150 12.536 1.00 0.00 C ATOM 137 C ALA A 196 -11.383 23.086 13.468 1.00 0.00 C ATOM 138 O ALA A 196 -11.987 22.597 14.429 1.00 0.00 O ATOM 139 CB ALA A 196 -9.994 20.946 13.264 1.00 0.00 C ATOM 0 H ALA A 196 -9.772 22.658 10.726 1.00 0.00 H new ATOM 0 HA ALA A 196 -11.374 21.799 11.851 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -10.758 20.467 13.876 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -9.614 20.232 12.533 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -9.176 21.281 13.902 1.00 0.00 H new ATOM 145 N ALA A 197 -11.448 24.395 13.201 1.00 0.00 N ATOM 146 CA ALA A 197 -12.212 25.335 14.021 1.00 0.00 C ATOM 147 C ALA A 197 -12.977 26.352 13.153 1.00 0.00 C ATOM 148 O ALA A 197 -12.772 27.561 13.294 1.00 0.00 O ATOM 149 CB ALA A 197 -11.260 25.965 15.048 1.00 0.00 C ATOM 0 H ALA A 197 -10.972 24.830 12.411 1.00 0.00 H new ATOM 0 HA ALA A 197 -12.995 24.816 14.573 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -11.811 26.670 15.670 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -10.833 25.183 15.676 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -10.459 26.490 14.527 1.00 0.00 H new ATOM 155 N LYS A 198 -13.889 25.872 12.292 1.00 0.00 N ATOM 156 CA LYS A 198 -14.599 26.662 11.270 1.00 0.00 C ATOM 157 C LYS A 198 -16.110 26.759 11.511 1.00 0.00 C ATOM 158 O LYS A 198 -16.878 26.044 10.867 1.00 0.00 O ATOM 159 CB LYS A 198 -14.226 26.155 9.853 1.00 0.00 C ATOM 160 CG LYS A 198 -14.564 24.684 9.534 1.00 0.00 C ATOM 161 CD LYS A 198 -13.808 24.210 8.285 1.00 0.00 C ATOM 162 CE LYS A 198 -13.998 22.704 8.060 1.00 0.00 C ATOM 163 NZ LYS A 198 -15.261 22.380 7.368 1.00 0.00 N ATOM 0 H LYS A 198 -14.162 24.889 12.287 1.00 0.00 H new ATOM 0 HA LYS A 198 -14.259 27.694 11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -14.730 26.787 9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -13.155 26.297 9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -14.303 24.054 10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -15.637 24.579 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -14.162 24.758 7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -12.747 24.433 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -13.161 22.321 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -13.976 22.193 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -15.566 21.421 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -15.994 23.065 7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -15.115 22.425 6.339 1.00 0.00 H new ATOM 177 N PRO A 199 -16.562 27.617 12.444 1.00 0.00 N ATOM 178 CA PRO A 199 -17.974 27.837 12.715 1.00 0.00 C ATOM 179 C PRO A 199 -18.631 28.648 11.586 1.00 0.00 C ATOM 180 O PRO A 199 -18.924 29.843 11.713 1.00 0.00 O ATOM 181 CB PRO A 199 -18.014 28.511 14.083 1.00 0.00 C ATOM 182 CG PRO A 199 -16.711 29.292 14.143 1.00 0.00 C ATOM 183 CD PRO A 199 -15.749 28.448 13.318 1.00 0.00 C ATOM 0 HA PRO A 199 -18.556 26.916 12.742 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -18.878 29.168 14.180 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -18.078 27.779 14.888 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -16.824 30.293 13.727 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -16.362 29.411 15.169 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -15.080 29.082 12.736 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -15.123 27.833 13.964 1.00 0.00 H new ATOM 191 N GLU A 200 -18.836 27.972 10.462 1.00 0.00 N ATOM 192 CA GLU A 200 -19.540 28.420 9.277 1.00 0.00 C ATOM 193 C GLU A 200 -20.005 27.161 8.549 1.00 0.00 C ATOM 194 O GLU A 200 -21.199 27.006 8.300 1.00 0.00 O ATOM 195 CB GLU A 200 -18.600 29.280 8.411 1.00 0.00 C ATOM 196 CG GLU A 200 -19.334 30.040 7.301 1.00 0.00 C ATOM 197 CD GLU A 200 -18.418 31.072 6.627 1.00 0.00 C ATOM 198 OE1 GLU A 200 -18.092 32.098 7.268 1.00 0.00 O ATOM 199 OE2 GLU A 200 -17.997 30.835 5.469 1.00 0.00 O ATOM 0 H GLU A 200 -18.484 27.021 10.352 1.00 0.00 H new ATOM 0 HA GLU A 200 -20.400 29.045 9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -18.079 29.994 9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -17.840 28.639 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -19.700 29.334 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -20.206 30.543 7.718 1.00 0.00 H new ATOM 206 N ASP A 201 -19.079 26.226 8.295 1.00 0.00 N ATOM 207 CA ASP A 201 -19.256 25.076 7.397 1.00 0.00 C ATOM 208 C ASP A 201 -18.498 23.851 7.941 1.00 0.00 C ATOM 209 O ASP A 201 -17.986 23.025 7.183 1.00 0.00 O ATOM 210 CB ASP A 201 -18.778 25.432 5.969 1.00 0.00 C ATOM 211 CG ASP A 201 -19.738 26.283 5.135 1.00 0.00 C ATOM 212 OD1 ASP A 201 -20.974 26.094 5.182 1.00 0.00 O ATOM 213 OD2 ASP A 201 -19.225 27.106 4.349 1.00 0.00 O ATOM 0 H ASP A 201 -18.154 26.250 8.724 1.00 0.00 H new ATOM 0 HA ASP A 201 -20.316 24.826 7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -17.828 25.961 6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -18.584 24.505 5.430 1.00 0.00 H new ATOM 218 N TRP A 202 -18.319 23.725 9.260 1.00 0.00 N ATOM 219 CA TRP A 202 -17.880 22.449 9.836 1.00 0.00 C ATOM 220 C TRP A 202 -19.063 21.503 9.971 1.00 0.00 C ATOM 221 O TRP A 202 -18.935 20.324 9.654 1.00 0.00 O ATOM 222 CB TRP A 202 -17.095 22.587 11.151 1.00 0.00 C ATOM 223 CG TRP A 202 -17.750 23.132 12.381 1.00 0.00 C ATOM 224 CD1 TRP A 202 -18.587 24.187 12.446 1.00 0.00 C ATOM 225 CD2 TRP A 202 -17.576 22.690 13.761 1.00 0.00 C ATOM 226 NE1 TRP A 202 -18.926 24.429 13.752 1.00 0.00 N ATOM 227 CE2 TRP A 202 -18.369 23.513 14.610 1.00 0.00 C ATOM 228 CE3 TRP A 202 -16.837 21.662 14.386 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -18.452 23.303 15.993 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -16.936 21.419 15.769 1.00 0.00 C ATOM 231 CH2 TRP A 202 -17.744 22.240 16.576 1.00 0.00 C ATOM 0 H TRP A 202 -18.467 24.473 9.937 1.00 0.00 H new ATOM 0 HA TRP A 202 -17.161 22.021 9.137 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -16.715 21.597 11.403 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -16.230 23.217 10.943 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -18.937 24.756 11.597 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -19.523 25.200 14.052 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -16.180 21.047 13.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -19.057 23.955 16.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -16.390 20.599 16.212 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -17.819 22.054 17.637 1.00 0.00 H new ATOM 242 N ASP A 203 -20.210 22.015 10.399 1.00 0.00 N ATOM 243 CA ASP A 203 -21.390 21.302 10.860 1.00 0.00 C ATOM 244 C ASP A 203 -20.956 20.235 11.849 1.00 0.00 C ATOM 245 O ASP A 203 -20.972 19.037 11.576 1.00 0.00 O ATOM 246 CB ASP A 203 -22.227 20.769 9.700 1.00 0.00 C ATOM 247 CG ASP A 203 -22.804 21.855 8.801 1.00 0.00 C ATOM 248 OD1 ASP A 203 -23.007 22.998 9.269 1.00 0.00 O ATOM 249 OD2 ASP A 203 -23.043 21.558 7.608 1.00 0.00 O ATOM 0 H ASP A 203 -20.348 23.025 10.435 1.00 0.00 H new ATOM 0 HA ASP A 203 -22.060 21.987 11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -21.611 20.102 9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -23.045 20.171 10.101 1.00 0.00 H new ATOM 254 N GLU A 204 -20.411 20.716 12.964 1.00 0.00 N ATOM 255 CA GLU A 204 -19.717 19.966 14.007 1.00 0.00 C ATOM 256 C GLU A 204 -18.605 19.024 13.514 1.00 0.00 C ATOM 257 O GLU A 204 -18.117 18.159 14.246 1.00 0.00 O ATOM 258 CB GLU A 204 -20.703 19.342 14.996 1.00 0.00 C ATOM 259 CG GLU A 204 -20.130 19.547 16.407 1.00 0.00 C ATOM 260 CD GLU A 204 -20.947 18.955 17.545 1.00 0.00 C ATOM 261 OE1 GLU A 204 -22.157 18.665 17.385 1.00 0.00 O ATOM 262 OE2 GLU A 204 -20.363 18.859 18.651 1.00 0.00 O ATOM 0 H GLU A 204 -20.446 21.713 13.177 1.00 0.00 H new ATOM 0 HA GLU A 204 -19.141 20.701 14.570 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -21.683 19.810 14.908 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -20.837 18.281 14.787 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -19.130 19.114 16.439 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -20.020 20.617 16.582 1.00 0.00 H new ATOM 269 N ARG A 205 -18.156 19.254 12.279 1.00 0.00 N ATOM 270 CA ARG A 205 -17.135 18.579 11.497 1.00 0.00 C ATOM 271 C ARG A 205 -17.710 17.378 10.740 1.00 0.00 C ATOM 272 O ARG A 205 -16.982 16.436 10.417 1.00 0.00 O ATOM 273 CB ARG A 205 -15.905 18.256 12.346 1.00 0.00 C ATOM 274 CG ARG A 205 -14.654 18.228 11.471 1.00 0.00 C ATOM 275 CD ARG A 205 -13.752 19.453 11.663 1.00 0.00 C ATOM 276 NE ARG A 205 -12.478 19.232 10.972 1.00 0.00 N ATOM 277 CZ ARG A 205 -11.517 18.382 11.351 1.00 0.00 C ATOM 278 NH1 ARG A 205 -11.544 17.781 12.537 1.00 0.00 N ATOM 279 NH2 ARG A 205 -10.534 18.141 10.497 1.00 0.00 N ATOM 0 H ARG A 205 -18.558 20.021 11.739 1.00 0.00 H new ATOM 0 HA ARG A 205 -16.782 19.263 10.725 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -15.791 19.002 13.133 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -16.036 17.292 12.837 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -14.083 17.327 11.694 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -14.952 18.166 10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -14.242 20.344 11.270 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -13.577 19.627 12.725 1.00 0.00 H new ATOM 0 HE ARG A 205 -12.309 19.776 10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -12.311 17.964 13.184 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -10.798 17.137 12.800 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -10.527 18.598 9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -9.784 17.499 10.751 1.00 0.00 H new ATOM 293 N ALA A 206 -19.006 17.411 10.431 1.00 0.00 N ATOM 294 CA ALA A 206 -19.759 16.350 9.779 1.00 0.00 C ATOM 295 C ALA A 206 -19.578 15.038 10.547 1.00 0.00 C ATOM 296 O ALA A 206 -19.142 14.026 9.989 1.00 0.00 O ATOM 297 CB ALA A 206 -19.370 16.261 8.292 1.00 0.00 C ATOM 0 H ALA A 206 -19.586 18.223 10.642 1.00 0.00 H new ATOM 0 HA ALA A 206 -20.826 16.573 9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -19.939 15.464 7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -19.590 17.209 7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -18.305 16.047 8.207 1.00 0.00 H new ATOM 408 N SER A 214 -23.729 4.272 10.591 1.00 0.00 N ATOM 409 CA SER A 214 -23.079 4.919 9.478 1.00 0.00 C ATOM 410 C SER A 214 -21.632 4.455 9.578 1.00 0.00 C ATOM 411 O SER A 214 -20.889 4.929 10.438 1.00 0.00 O ATOM 412 CB SER A 214 -23.279 6.434 9.565 1.00 0.00 C ATOM 413 OG SER A 214 -22.784 7.113 8.425 1.00 0.00 O ATOM 0 HA SER A 214 -23.483 4.660 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 214 -24.341 6.651 9.680 1.00 0.00 H new ATOM 0 HB3 SER A 214 -22.778 6.813 10.456 1.00 0.00 H new ATOM 0 HG SER A 214 -23.138 6.692 7.614 1.00 0.00 H new ATOM 419 N LYS A 215 -21.276 3.465 8.755 1.00 0.00 N ATOM 420 CA LYS A 215 -19.943 2.887 8.588 1.00 0.00 C ATOM 421 C LYS A 215 -19.623 1.826 9.647 1.00 0.00 C ATOM 422 O LYS A 215 -19.435 2.161 10.819 1.00 0.00 O ATOM 423 CB LYS A 215 -18.861 3.975 8.506 1.00 0.00 C ATOM 424 CG LYS A 215 -17.965 3.754 7.291 1.00 0.00 C ATOM 425 CD LYS A 215 -17.098 4.995 7.108 1.00 0.00 C ATOM 426 CE LYS A 215 -16.477 5.131 5.718 1.00 0.00 C ATOM 427 NZ LYS A 215 -15.871 6.473 5.605 1.00 0.00 N ATOM 0 H LYS A 215 -21.960 3.016 8.146 1.00 0.00 H new ATOM 0 HA LYS A 215 -19.945 2.364 7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -19.330 4.957 8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -18.259 3.965 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -17.341 2.872 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -18.568 3.577 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -17.703 5.879 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -16.299 4.978 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -15.722 4.360 5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -17.236 4.992 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -15.171 6.474 4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -16.612 7.172 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -15.403 6.719 6.500 1.00 0.00 H new ATOM 441 N PRO A 216 -19.573 0.535 9.272 1.00 0.00 N ATOM 442 CA PRO A 216 -19.072 -0.481 10.173 1.00 0.00 C ATOM 443 C PRO A 216 -17.556 -0.398 10.295 1.00 0.00 C ATOM 444 O PRO A 216 -16.874 0.126 9.414 1.00 0.00 O ATOM 445 CB PRO A 216 -19.491 -1.813 9.566 1.00 0.00 C ATOM 446 CG PRO A 216 -19.696 -1.544 8.077 1.00 0.00 C ATOM 447 CD PRO A 216 -19.885 -0.029 7.969 1.00 0.00 C ATOM 0 HA PRO A 216 -19.472 -0.354 11.179 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -18.726 -2.573 9.725 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -20.407 -2.182 10.027 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -18.837 -1.877 7.494 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -20.566 -2.078 7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -19.231 0.387 7.203 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -20.908 0.212 7.680 1.00 0.00 H new ATOM 455 N GLU A 217 -17.029 -1.050 11.327 1.00 0.00 N ATOM 456 CA GLU A 217 -15.648 -0.920 11.784 1.00 0.00 C ATOM 457 C GLU A 217 -14.648 -1.684 10.899 1.00 0.00 C ATOM 458 O GLU A 217 -13.465 -1.786 11.215 1.00 0.00 O ATOM 459 CB GLU A 217 -15.600 -1.403 13.243 1.00 0.00 C ATOM 460 CG GLU A 217 -14.485 -0.775 14.091 1.00 0.00 C ATOM 461 CD GLU A 217 -14.796 0.655 14.536 1.00 0.00 C ATOM 462 OE1 GLU A 217 -15.147 1.507 13.695 1.00 0.00 O ATOM 463 OE2 GLU A 217 -14.597 0.949 15.739 1.00 0.00 O ATOM 0 H GLU A 217 -17.571 -1.707 11.889 1.00 0.00 H new ATOM 0 HA GLU A 217 -15.341 0.124 11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -16.560 -1.189 13.714 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -15.476 -2.486 13.249 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -14.316 -1.394 14.972 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -13.558 -0.776 13.518 1.00 0.00 H new ATOM 470 N ASP A 218 -15.098 -2.236 9.774 1.00 0.00 N ATOM 471 CA ASP A 218 -14.243 -2.891 8.783 1.00 0.00 C ATOM 472 C ASP A 218 -14.209 -2.113 7.471 1.00 0.00 C ATOM 473 O ASP A 218 -13.548 -2.549 6.522 1.00 0.00 O ATOM 474 CB ASP A 218 -14.715 -4.333 8.549 1.00 0.00 C ATOM 475 CG ASP A 218 -14.042 -5.297 9.518 1.00 0.00 C ATOM 476 OD1 ASP A 218 -14.569 -5.498 10.643 1.00 0.00 O ATOM 477 OD2 ASP A 218 -12.980 -5.848 9.154 1.00 0.00 O ATOM 0 H ASP A 218 -16.086 -2.241 9.520 1.00 0.00 H new ATOM 0 HA ASP A 218 -13.226 -2.912 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -15.797 -4.388 8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -14.493 -4.629 7.524 1.00 0.00 H new ATOM 482 N TRP A 219 -14.950 -1.004 7.379 1.00 0.00 N ATOM 483 CA TRP A 219 -15.227 -0.356 6.111 1.00 0.00 C ATOM 484 C TRP A 219 -14.345 0.855 5.834 1.00 0.00 C ATOM 485 O TRP A 219 -14.090 1.142 4.660 1.00 0.00 O ATOM 486 CB TRP A 219 -16.698 0.050 6.120 1.00 0.00 C ATOM 487 CG TRP A 219 -17.239 0.554 4.827 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.967 1.754 4.266 1.00 0.00 C ATOM 489 CD2 TRP A 219 -18.104 -0.143 3.888 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.593 1.839 3.045 1.00 0.00 N ATOM 491 CE2 TRP A 219 -18.324 0.715 2.776 1.00 0.00 C ATOM 492 CE3 TRP A 219 -18.704 -1.419 3.846 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -19.123 0.360 1.693 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -19.484 -1.805 2.741 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.706 -0.914 1.677 1.00 0.00 C ATOM 0 H TRP A 219 -15.369 -0.538 8.184 1.00 0.00 H new ATOM 0 HA TRP A 219 -15.004 -1.061 5.310 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -17.291 -0.811 6.430 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -16.838 0.822 6.876 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -16.354 2.525 4.708 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.521 2.640 2.418 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -18.563 -2.105 4.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -19.290 1.053 0.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -19.916 -2.794 2.710 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -20.327 -1.212 0.845 1.00 0.00 H new ATOM 506 N ASP A 220 -13.939 1.615 6.855 1.00 0.00 N ATOM 507 CA ASP A 220 -13.277 2.896 6.634 1.00 0.00 C ATOM 508 C ASP A 220 -11.811 2.639 6.296 1.00 0.00 C ATOM 509 O ASP A 220 -10.957 2.527 7.183 1.00 0.00 O ATOM 510 CB ASP A 220 -13.476 3.896 7.792 1.00 0.00 C ATOM 511 CG ASP A 220 -13.403 5.339 7.280 1.00 0.00 C ATOM 512 OD1 ASP A 220 -12.820 5.557 6.196 1.00 0.00 O ATOM 513 OD2 ASP A 220 -14.084 6.240 7.823 1.00 0.00 O ATOM 0 H ASP A 220 -14.058 1.364 7.836 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.748 3.393 5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -14.441 3.722 8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -12.712 3.736 8.553 1.00 0.00 H new ATOM 518 N LYS A 221 -11.543 2.391 5.014 1.00 0.00 N ATOM 519 CA LYS A 221 -10.242 1.967 4.518 1.00 0.00 C ATOM 520 C LYS A 221 -9.378 3.168 4.169 1.00 0.00 C ATOM 521 O LYS A 221 -9.908 4.180 3.713 1.00 0.00 O ATOM 522 CB LYS A 221 -10.394 1.058 3.280 1.00 0.00 C ATOM 523 CG LYS A 221 -10.953 -0.335 3.602 1.00 0.00 C ATOM 524 CD LYS A 221 -9.987 -1.130 4.486 1.00 0.00 C ATOM 525 CE LYS A 221 -10.614 -2.441 4.939 1.00 0.00 C ATOM 526 NZ LYS A 221 -10.004 -2.901 6.199 1.00 0.00 N ATOM 0 H LYS A 221 -12.243 2.483 4.278 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.755 1.401 5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -11.051 1.546 2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.422 0.948 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -11.914 -0.236 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -11.134 -0.880 2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.069 -1.333 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -9.712 -0.535 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -11.687 -2.309 5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -10.482 -3.199 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -10.445 -3.796 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -8.984 -3.047 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -10.152 -2.185 6.938 1.00 0.00 H new ATOM 540 N PRO A 222 -8.053 3.042 4.335 1.00 0.00 N ATOM 541 CA PRO A 222 -7.138 4.096 3.973 1.00 0.00 C ATOM 542 C PRO A 222 -7.077 4.223 2.450 1.00 0.00 C ATOM 543 O PRO A 222 -6.955 3.234 1.722 1.00 0.00 O ATOM 544 CB PRO A 222 -5.806 3.710 4.615 1.00 0.00 C ATOM 545 CG PRO A 222 -5.845 2.184 4.614 1.00 0.00 C ATOM 546 CD PRO A 222 -7.323 1.892 4.862 1.00 0.00 C ATOM 0 HA PRO A 222 -7.441 5.081 4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -4.959 4.091 4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -5.716 4.109 5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.503 1.770 3.666 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.211 1.761 5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.629 0.973 4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.521 1.757 5.925 1.00 0.00 H new ATOM 554 N GLU A 223 -7.152 5.468 1.995 1.00 0.00 N ATOM 555 CA GLU A 223 -6.956 5.932 0.628 1.00 0.00 C ATOM 556 C GLU A 223 -5.575 5.499 0.113 1.00 0.00 C ATOM 557 O GLU A 223 -5.441 4.878 -0.945 1.00 0.00 O ATOM 558 CB GLU A 223 -7.047 7.475 0.658 1.00 0.00 C ATOM 559 CG GLU A 223 -8.454 8.033 0.936 1.00 0.00 C ATOM 560 CD GLU A 223 -8.925 7.942 2.395 1.00 0.00 C ATOM 561 OE1 GLU A 223 -8.072 7.881 3.315 1.00 0.00 O ATOM 562 OE2 GLU A 223 -10.163 7.950 2.622 1.00 0.00 O ATOM 0 H GLU A 223 -7.369 6.241 2.624 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.709 5.508 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.365 7.850 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -6.700 7.864 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -8.478 9.079 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.168 7.500 0.308 1.00 0.00 H new ATOM 569 N HIS A 224 -4.542 5.849 0.883 1.00 0.00 N ATOM 570 CA HIS A 224 -3.148 5.522 0.645 1.00 0.00 C ATOM 571 C HIS A 224 -2.894 4.139 1.237 1.00 0.00 C ATOM 572 O HIS A 224 -3.102 3.954 2.439 1.00 0.00 O ATOM 573 CB HIS A 224 -2.269 6.639 1.275 1.00 0.00 C ATOM 574 CG HIS A 224 -2.495 7.963 0.595 1.00 0.00 C ATOM 575 ND1 HIS A 224 -2.536 9.195 1.207 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.684 8.154 -0.748 1.00 0.00 C ATOM 577 CE1 HIS A 224 -2.724 10.111 0.245 1.00 0.00 C ATOM 578 NE2 HIS A 224 -2.822 9.526 -0.959 1.00 0.00 N ATOM 0 H HIS A 224 -4.670 6.398 1.733 1.00 0.00 H new ATOM 0 HA HIS A 224 -2.895 5.481 -0.414 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.498 6.729 2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.217 6.363 1.198 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -2.720 7.384 -1.504 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -2.788 11.175 0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -2.969 9.993 -1.854 1.00 0.00 H new ATOM 586 N ILE A 225 -2.424 3.188 0.421 1.00 0.00 N ATOM 587 CA ILE A 225 -1.830 1.943 0.902 1.00 0.00 C ATOM 588 C ILE A 225 -0.393 1.800 0.373 1.00 0.00 C ATOM 589 O ILE A 225 -0.151 2.040 -0.814 1.00 0.00 O ATOM 590 CB ILE A 225 -2.708 0.734 0.541 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.854 0.522 -0.987 1.00 0.00 C ATOM 592 CG2 ILE A 225 -4.066 0.870 1.257 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.528 -0.811 -1.323 1.00 0.00 C ATOM 0 H ILE A 225 -2.447 3.265 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.778 1.976 1.990 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.212 -0.171 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.437 1.339 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.869 0.557 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.696 0.017 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.908 0.901 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.556 1.789 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.609 -0.915 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.932 -1.631 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.524 -0.837 -0.881 1.00 0.00 H new ATOM 605 N PRO A 226 0.583 1.419 1.212 1.00 0.00 N ATOM 606 CA PRO A 226 1.944 1.226 0.751 1.00 0.00 C ATOM 607 C PRO A 226 1.981 -0.008 -0.155 1.00 0.00 C ATOM 608 O PRO A 226 1.385 -1.044 0.169 1.00 0.00 O ATOM 609 CB PRO A 226 2.806 1.142 2.004 1.00 0.00 C ATOM 610 CG PRO A 226 1.848 0.713 3.116 1.00 0.00 C ATOM 611 CD PRO A 226 0.442 1.028 2.604 1.00 0.00 C ATOM 0 HA PRO A 226 2.333 2.039 0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.614 0.421 1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.268 2.103 2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.955 -0.349 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 226 2.057 1.252 4.040 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.208 0.158 2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -0.012 1.829 3.187 1.00 0.00 H new ATOM 619 N ASP A 227 2.624 0.142 -1.311 1.00 0.00 N ATOM 620 CA ASP A 227 2.643 -0.754 -2.456 1.00 0.00 C ATOM 621 C ASP A 227 2.722 -2.251 -2.105 1.00 0.00 C ATOM 622 O ASP A 227 3.797 -2.779 -1.835 1.00 0.00 O ATOM 623 CB ASP A 227 3.740 -0.300 -3.432 1.00 0.00 C ATOM 624 CG ASP A 227 5.195 -0.414 -3.043 1.00 0.00 C ATOM 625 OD1 ASP A 227 5.544 -0.598 -1.856 1.00 0.00 O ATOM 626 OD2 ASP A 227 5.980 -0.242 -4.005 1.00 0.00 O ATOM 0 H ASP A 227 3.195 0.970 -1.481 1.00 0.00 H new ATOM 0 HA ASP A 227 1.673 -0.676 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.606 -0.865 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 227 3.549 0.747 -3.669 1.00 0.00 H new ATOM 631 N PRO A 228 1.608 -3.009 -2.137 1.00 0.00 N ATOM 632 CA PRO A 228 1.648 -4.445 -1.864 1.00 0.00 C ATOM 633 C PRO A 228 2.333 -5.249 -2.975 1.00 0.00 C ATOM 634 O PRO A 228 2.375 -6.482 -2.923 1.00 0.00 O ATOM 635 CB PRO A 228 0.194 -4.877 -1.686 1.00 0.00 C ATOM 636 CG PRO A 228 -0.619 -3.834 -2.447 1.00 0.00 C ATOM 637 CD PRO A 228 0.263 -2.586 -2.496 1.00 0.00 C ATOM 0 HA PRO A 228 2.245 -4.641 -0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.027 -5.877 -2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -0.084 -4.904 -0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.863 -4.182 -3.451 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.563 -3.628 -1.943 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.250 -2.142 -3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -0.102 -1.827 -1.804 1.00 0.00 H new ATOM 645 N ASP A 229 2.822 -4.599 -4.027 1.00 0.00 N ATOM 646 CA ASP A 229 3.715 -5.223 -4.983 1.00 0.00 C ATOM 647 C ASP A 229 5.099 -5.320 -4.337 1.00 0.00 C ATOM 648 O ASP A 229 5.599 -6.416 -4.072 1.00 0.00 O ATOM 649 CB ASP A 229 3.738 -4.407 -6.282 1.00 0.00 C ATOM 650 CG ASP A 229 4.600 -5.005 -7.398 1.00 0.00 C ATOM 651 OD1 ASP A 229 5.347 -5.982 -7.185 1.00 0.00 O ATOM 652 OD2 ASP A 229 4.533 -4.441 -8.516 1.00 0.00 O ATOM 0 H ASP A 229 2.607 -3.624 -4.236 1.00 0.00 H new ATOM 0 HA ASP A 229 3.377 -6.226 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.716 -4.302 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 229 4.101 -3.404 -6.059 1.00 0.00 H new ATOM 657 N ALA A 230 5.700 -4.176 -4.004 1.00 0.00 N ATOM 658 CA ALA A 230 7.081 -4.087 -3.563 1.00 0.00 C ATOM 659 C ALA A 230 7.226 -4.488 -2.110 1.00 0.00 C ATOM 660 O ALA A 230 6.270 -4.419 -1.330 1.00 0.00 O ATOM 661 CB ALA A 230 7.575 -2.655 -3.755 1.00 0.00 C ATOM 0 H ALA A 230 5.227 -3.273 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 230 7.679 -4.776 -4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.611 -2.580 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.509 -2.385 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.958 -1.975 -3.167 1.00 0.00 H new ATOM 667 N LYS A 231 8.433 -4.911 -1.737 1.00 0.00 N ATOM 668 CA LYS A 231 8.702 -5.396 -0.394 1.00 0.00 C ATOM 669 C LYS A 231 10.187 -5.383 -0.039 1.00 0.00 C ATOM 670 O LYS A 231 10.658 -6.308 0.626 1.00 0.00 O ATOM 671 CB LYS A 231 8.040 -6.782 -0.208 1.00 0.00 C ATOM 672 CG LYS A 231 7.007 -6.781 0.918 1.00 0.00 C ATOM 673 CD LYS A 231 7.591 -6.631 2.332 1.00 0.00 C ATOM 674 CE LYS A 231 7.896 -5.174 2.675 1.00 0.00 C ATOM 675 NZ LYS A 231 8.389 -4.990 4.049 1.00 0.00 N ATOM 0 H LYS A 231 9.243 -4.925 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 231 8.253 -4.705 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 231 7.560 -7.081 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 231 8.809 -7.524 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 231 6.302 -5.968 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 231 6.440 -7.711 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 231 6.887 -7.035 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 231 8.504 -7.221 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 231 8.639 -4.791 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 231 6.993 -4.579 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 8.577 -3.981 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 7.672 -5.327 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 9.267 -5.532 4.178 1.00 0.00 H new ATOM 689 N LYS A 232 10.901 -4.319 -0.421 1.00 0.00 N ATOM 690 CA LYS A 232 12.347 -4.170 -0.345 1.00 0.00 C ATOM 691 C LYS A 232 13.021 -5.156 -1.311 1.00 0.00 C ATOM 692 O LYS A 232 12.821 -6.370 -1.201 1.00 0.00 O ATOM 693 CB LYS A 232 12.871 -4.214 1.103 1.00 0.00 C ATOM 694 CG LYS A 232 14.407 -4.124 1.182 1.00 0.00 C ATOM 695 CD LYS A 232 14.950 -3.303 2.367 1.00 0.00 C ATOM 696 CE LYS A 232 15.573 -4.180 3.457 1.00 0.00 C ATOM 697 NZ LYS A 232 16.993 -3.876 3.710 1.00 0.00 N ATOM 0 H LYS A 232 10.452 -3.492 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 232 12.624 -3.170 -0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.433 -3.391 1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 232 12.540 -5.138 1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 232 14.813 -5.134 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.779 -3.686 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 232 15.697 -2.597 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 232 14.140 -2.715 2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 232 15.011 -4.052 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 232 15.479 -5.227 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 17.355 -4.503 4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 17.540 -4.024 2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 17.087 -2.886 4.014 1.00 0.00 H new ATOM 711 N PRO A 233 13.797 -4.662 -2.289 1.00 0.00 N ATOM 712 CA PRO A 233 14.642 -5.511 -3.093 1.00 0.00 C ATOM 713 C PRO A 233 15.597 -6.281 -2.180 1.00 0.00 C ATOM 714 O PRO A 233 16.026 -5.807 -1.123 1.00 0.00 O ATOM 715 CB PRO A 233 15.384 -4.590 -4.068 1.00 0.00 C ATOM 716 CG PRO A 233 15.039 -3.148 -3.693 1.00 0.00 C ATOM 717 CD PRO A 233 14.056 -3.263 -2.546 1.00 0.00 C ATOM 0 HA PRO A 233 14.076 -6.254 -3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 233 16.460 -4.755 -4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 233 15.087 -4.800 -5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.929 -2.594 -3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.600 -2.616 -4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.460 -2.785 -1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 233 13.128 -2.747 -2.792 1.00 0.00 H new ATOM 725 N GLU A 234 15.986 -7.472 -2.617 1.00 0.00 N ATOM 726 CA GLU A 234 17.088 -8.228 -2.034 1.00 0.00 C ATOM 727 C GLU A 234 18.417 -7.491 -2.273 1.00 0.00 C ATOM 728 O GLU A 234 19.380 -7.699 -1.534 1.00 0.00 O ATOM 729 CB GLU A 234 17.024 -9.648 -2.610 1.00 0.00 C ATOM 730 CG GLU A 234 17.841 -10.690 -1.829 1.00 0.00 C ATOM 731 CD GLU A 234 17.118 -12.044 -1.764 1.00 0.00 C ATOM 732 OE1 GLU A 234 16.540 -12.486 -2.788 1.00 0.00 O ATOM 733 OE2 GLU A 234 17.020 -12.621 -0.660 1.00 0.00 O ATOM 0 H GLU A 234 15.537 -7.948 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 234 17.011 -8.312 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 234 15.983 -9.968 -2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.379 -9.625 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 234 18.814 -10.819 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 234 18.024 -10.326 -0.818 1.00 0.00 H new ATOM 740 N ASP A 235 18.415 -6.561 -3.234 1.00 0.00 N ATOM 741 CA ASP A 235 19.514 -5.745 -3.718 1.00 0.00 C ATOM 742 C ASP A 235 19.380 -4.259 -3.326 1.00 0.00 C ATOM 743 O ASP A 235 20.003 -3.388 -3.932 1.00 0.00 O ATOM 744 CB ASP A 235 19.653 -6.010 -5.233 1.00 0.00 C ATOM 745 CG ASP A 235 18.998 -5.002 -6.177 1.00 0.00 C ATOM 746 OD1 ASP A 235 17.778 -4.732 -6.076 1.00 0.00 O ATOM 747 OD2 ASP A 235 19.663 -4.590 -7.144 1.00 0.00 O ATOM 0 H ASP A 235 17.554 -6.346 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 235 20.447 -6.029 -3.231 1.00 0.00 H new ATOM 0 HB2 ASP A 235 20.715 -6.058 -5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 235 19.234 -6.994 -5.445 1.00 0.00 H new ATOM 752 N TRP A 236 18.578 -3.942 -2.297 1.00 0.00 N ATOM 753 CA TRP A 236 18.689 -2.651 -1.609 1.00 0.00 C ATOM 754 C TRP A 236 19.940 -2.653 -0.735 1.00 0.00 C ATOM 755 O TRP A 236 20.323 -3.707 -0.216 1.00 0.00 O ATOM 756 CB TRP A 236 17.475 -2.396 -0.709 1.00 0.00 C ATOM 757 CG TRP A 236 17.412 -1.034 -0.080 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.675 -0.713 1.212 1.00 0.00 C ATOM 759 CD2 TRP A 236 17.035 0.217 -0.728 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.513 0.650 1.386 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.071 1.263 0.236 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.621 0.554 -2.031 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.699 2.578 -0.073 1.00 0.00 C ATOM 764 CZ3 TRP A 236 16.265 1.876 -2.361 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.301 2.888 -1.384 1.00 0.00 C ATOM 0 H TRP A 236 17.853 -4.557 -1.928 1.00 0.00 H new ATOM 0 HA TRP A 236 18.742 -1.868 -2.366 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.570 -2.548 -1.297 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.469 -3.144 0.084 1.00 0.00 H new ATOM 0 HD1 TRP A 236 17.965 -1.411 1.983 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.699 1.141 2.261 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.576 -0.214 -2.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.718 3.344 0.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.963 2.115 -3.370 1.00 0.00 H new ATOM 0 HH2 TRP A 236 16.024 3.900 -1.641 1.00 0.00 H new ATOM 776 N ASP A 237 20.485 -1.472 -0.454 1.00 0.00 N ATOM 777 CA ASP A 237 21.611 -1.297 0.452 1.00 0.00 C ATOM 778 C ASP A 237 21.342 -0.115 1.383 1.00 0.00 C ATOM 779 O ASP A 237 21.351 1.049 0.977 1.00 0.00 O ATOM 780 CB ASP A 237 22.900 -1.135 -0.346 1.00 0.00 C ATOM 781 CG ASP A 237 24.140 -1.091 0.564 1.00 0.00 C ATOM 782 OD1 ASP A 237 23.989 -0.844 1.787 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.242 -1.320 0.022 1.00 0.00 O ATOM 0 H ASP A 237 20.149 -0.597 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 237 21.732 -2.182 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.996 -1.961 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.849 -0.219 -0.934 1.00 0.00 H new ATOM 788 N GLU A 238 21.054 -0.427 2.646 1.00 0.00 N ATOM 789 CA GLU A 238 20.649 0.532 3.667 1.00 0.00 C ATOM 790 C GLU A 238 21.824 1.335 4.244 1.00 0.00 C ATOM 791 O GLU A 238 21.629 2.228 5.074 1.00 0.00 O ATOM 792 CB GLU A 238 19.887 -0.251 4.750 1.00 0.00 C ATOM 793 CG GLU A 238 19.053 0.562 5.754 1.00 0.00 C ATOM 794 CD GLU A 238 19.434 0.269 7.213 1.00 0.00 C ATOM 795 OE1 GLU A 238 19.162 -0.856 7.700 1.00 0.00 O ATOM 796 OE2 GLU A 238 19.977 1.164 7.895 1.00 0.00 O ATOM 0 H GLU A 238 21.098 -1.384 2.995 1.00 0.00 H new ATOM 0 HA GLU A 238 20.005 1.289 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 238 19.221 -0.955 4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 238 20.611 -0.840 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 238 19.186 1.625 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 238 17.996 0.340 5.607 1.00 0.00 H new ATOM 803 N GLU A 239 23.045 1.044 3.807 1.00 0.00 N ATOM 804 CA GLU A 239 24.264 1.739 4.211 1.00 0.00 C ATOM 805 C GLU A 239 24.923 2.414 2.993 1.00 0.00 C ATOM 806 O GLU A 239 25.942 3.096 3.135 1.00 0.00 O ATOM 807 CB GLU A 239 25.144 0.771 5.032 1.00 0.00 C ATOM 808 CG GLU A 239 24.403 0.412 6.342 1.00 0.00 C ATOM 809 CD GLU A 239 25.103 -0.594 7.258 1.00 0.00 C ATOM 810 OE1 GLU A 239 24.923 -1.817 7.047 1.00 0.00 O ATOM 811 OE2 GLU A 239 25.680 -0.184 8.299 1.00 0.00 O ATOM 0 H GLU A 239 23.220 0.293 3.139 1.00 0.00 H new ATOM 0 HA GLU A 239 24.060 2.573 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 239 25.351 -0.131 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.105 1.233 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 239 24.237 1.331 6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 239 23.421 0.015 6.083 1.00 0.00 H new ATOM 818 N MET A 240 24.271 2.318 1.825 1.00 0.00 N ATOM 819 CA MET A 240 24.594 3.049 0.606 1.00 0.00 C ATOM 820 C MET A 240 23.514 4.096 0.363 1.00 0.00 C ATOM 821 O MET A 240 23.787 5.296 0.310 1.00 0.00 O ATOM 822 CB MET A 240 24.656 2.077 -0.583 1.00 0.00 C ATOM 823 CG MET A 240 25.098 2.745 -1.891 1.00 0.00 C ATOM 824 SD MET A 240 26.760 3.472 -1.904 1.00 0.00 S ATOM 825 CE MET A 240 26.671 4.334 -3.493 1.00 0.00 C ATOM 0 H MET A 240 23.469 1.699 1.706 1.00 0.00 H new ATOM 0 HA MET A 240 25.564 3.536 0.711 1.00 0.00 H new ATOM 0 HB2 MET A 240 25.346 1.267 -0.346 1.00 0.00 H new ATOM 0 HB3 MET A 240 23.674 1.627 -0.727 1.00 0.00 H new ATOM 0 HG2 MET A 240 25.043 2.004 -2.689 1.00 0.00 H new ATOM 0 HG3 MET A 240 24.380 3.529 -2.134 1.00 0.00 H new ATOM 0 HE1 MET A 240 27.613 4.849 -3.681 1.00 0.00 H new ATOM 0 HE2 MET A 240 26.487 3.612 -4.289 1.00 0.00 H new ATOM 0 HE3 MET A 240 25.859 5.061 -3.468 1.00 0.00 H new ATOM 835 N ASP A 241 22.278 3.637 0.162 1.00 0.00 N ATOM 836 CA ASP A 241 21.130 4.481 -0.125 1.00 0.00 C ATOM 837 C ASP A 241 20.637 5.084 1.186 1.00 0.00 C ATOM 838 O ASP A 241 20.459 6.302 1.272 1.00 0.00 O ATOM 839 CB ASP A 241 20.022 3.665 -0.817 1.00 0.00 C ATOM 840 CG ASP A 241 19.666 4.213 -2.198 1.00 0.00 C ATOM 841 OD1 ASP A 241 19.397 5.425 -2.338 1.00 0.00 O ATOM 842 OD2 ASP A 241 19.621 3.425 -3.175 1.00 0.00 O ATOM 0 H ASP A 241 22.048 2.644 0.196 1.00 0.00 H new ATOM 0 HA ASP A 241 21.414 5.283 -0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.345 2.629 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 241 19.131 3.664 -0.190 1.00 0.00 H new ATOM 847 N GLY A 242 20.475 4.244 2.214 1.00 0.00 N ATOM 848 CA GLY A 242 19.848 4.579 3.491 1.00 0.00 C ATOM 849 C GLY A 242 18.568 3.764 3.696 1.00 0.00 C ATOM 850 O GLY A 242 18.312 2.813 2.957 1.00 0.00 O ATOM 0 H GLY A 242 20.790 3.275 2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.544 4.383 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.616 5.644 3.520 1.00 0.00 H new ATOM 854 N GLU A 243 17.770 4.075 4.720 1.00 0.00 N ATOM 855 CA GLU A 243 16.493 3.396 4.936 1.00 0.00 C ATOM 856 C GLU A 243 15.586 3.608 3.716 1.00 0.00 C ATOM 857 O GLU A 243 15.487 4.710 3.175 1.00 0.00 O ATOM 858 CB GLU A 243 15.833 3.826 6.263 1.00 0.00 C ATOM 859 CG GLU A 243 14.344 3.423 6.321 1.00 0.00 C ATOM 860 CD GLU A 243 13.728 3.353 7.718 1.00 0.00 C ATOM 861 OE1 GLU A 243 13.758 2.250 8.324 1.00 0.00 O ATOM 862 OE2 GLU A 243 13.123 4.344 8.181 1.00 0.00 O ATOM 0 H GLU A 243 17.987 4.793 5.412 1.00 0.00 H new ATOM 0 HA GLU A 243 16.670 2.325 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 243 16.365 3.370 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 243 15.922 4.906 6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 243 13.771 4.135 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 243 14.232 2.448 5.846 1.00 0.00 H new ATOM 869 N TRP A 244 14.935 2.528 3.286 1.00 0.00 N ATOM 870 CA TRP A 244 13.902 2.534 2.265 1.00 0.00 C ATOM 871 C TRP A 244 12.582 3.041 2.833 1.00 0.00 C ATOM 872 O TRP A 244 12.233 2.758 3.982 1.00 0.00 O ATOM 873 CB TRP A 244 13.708 1.090 1.810 1.00 0.00 C ATOM 874 CG TRP A 244 12.759 0.820 0.677 1.00 0.00 C ATOM 875 CD1 TRP A 244 12.967 1.153 -0.619 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.560 -0.018 0.684 1.00 0.00 C ATOM 877 NE1 TRP A 244 12.030 0.515 -1.408 1.00 0.00 N ATOM 878 CE2 TRP A 244 11.093 -0.153 -0.655 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.834 -0.703 1.681 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.941 -0.884 -0.982 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.689 -1.458 1.361 1.00 0.00 C ATOM 882 CH2 TRP A 244 9.249 -1.557 0.031 1.00 0.00 C ATOM 0 H TRP A 244 15.123 1.596 3.655 1.00 0.00 H new ATOM 0 HA TRP A 244 14.200 3.186 1.444 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.684 0.697 1.526 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.370 0.513 2.671 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.743 1.813 -0.979 1.00 0.00 H new ATOM 0 HE1 TRP A 244 12.033 0.537 -2.428 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.162 -0.647 2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.592 -0.927 -2.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.145 -1.965 2.144 1.00 0.00 H new ATOM 0 HH2 TRP A 244 8.379 -2.151 -0.209 1.00 0.00 H new ATOM 893 N GLU A 245 11.780 3.651 1.971 1.00 0.00 N ATOM 894 CA GLU A 245 10.354 3.837 2.168 1.00 0.00 C ATOM 895 C GLU A 245 9.704 3.259 0.921 1.00 0.00 C ATOM 896 O GLU A 245 10.091 3.650 -0.186 1.00 0.00 O ATOM 897 CB GLU A 245 9.988 5.322 2.276 1.00 0.00 C ATOM 898 CG GLU A 245 9.928 5.835 3.715 1.00 0.00 C ATOM 899 CD GLU A 245 9.756 7.354 3.734 1.00 0.00 C ATOM 900 OE1 GLU A 245 8.794 7.895 3.138 1.00 0.00 O ATOM 901 OE2 GLU A 245 10.658 8.050 4.255 1.00 0.00 O ATOM 0 H GLU A 245 12.116 4.041 1.090 1.00 0.00 H new ATOM 0 HA GLU A 245 10.025 3.358 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 245 10.719 5.909 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 245 9.021 5.485 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 245 9.099 5.362 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 245 10.840 5.560 4.244 1.00 0.00 H new ATOM 908 N PRO A 246 8.716 2.369 1.059 1.00 0.00 N ATOM 909 CA PRO A 246 7.874 2.012 -0.058 1.00 0.00 C ATOM 910 C PRO A 246 7.060 3.243 -0.460 1.00 0.00 C ATOM 911 O PRO A 246 6.664 4.032 0.411 1.00 0.00 O ATOM 912 CB PRO A 246 6.962 0.897 0.442 1.00 0.00 C ATOM 913 CG PRO A 246 7.106 0.868 1.964 1.00 0.00 C ATOM 914 CD PRO A 246 8.158 1.907 2.311 1.00 0.00 C ATOM 0 HA PRO A 246 8.441 1.679 -0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.927 1.083 0.154 1.00 0.00 H new ATOM 0 HB3 PRO A 246 7.246 -0.061 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 246 6.157 1.098 2.449 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.408 -0.121 2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.716 2.734 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.933 1.476 2.944 1.00 0.00 H new ATOM 922 N PRO A 247 6.738 3.410 -1.748 1.00 0.00 N ATOM 923 CA PRO A 247 5.734 4.375 -2.134 1.00 0.00 C ATOM 924 C PRO A 247 4.365 3.877 -1.693 1.00 0.00 C ATOM 925 O PRO A 247 4.160 2.683 -1.450 1.00 0.00 O ATOM 926 CB PRO A 247 5.831 4.428 -3.649 1.00 0.00 C ATOM 927 CG PRO A 247 6.190 2.992 -4.040 1.00 0.00 C ATOM 928 CD PRO A 247 6.991 2.480 -2.839 1.00 0.00 C ATOM 0 HA PRO A 247 5.878 5.357 -1.683 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.890 4.742 -4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.593 5.135 -3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.299 2.389 -4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.779 2.962 -4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.682 1.471 -2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 247 8.055 2.436 -3.072 1.00 0.00 H new ATOM 936 N VAL A 248 3.385 4.769 -1.673 1.00 0.00 N ATOM 937 CA VAL A 248 2.013 4.373 -1.607 1.00 0.00 C ATOM 938 C VAL A 248 1.368 4.624 -2.959 1.00 0.00 C ATOM 939 O VAL A 248 1.631 5.615 -3.647 1.00 0.00 O ATOM 940 CB VAL A 248 1.365 5.030 -0.388 1.00 0.00 C ATOM 941 CG1 VAL A 248 1.913 6.388 0.066 1.00 0.00 C ATOM 942 CG2 VAL A 248 -0.130 5.093 -0.526 1.00 0.00 C ATOM 0 H VAL A 248 3.532 5.778 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 248 1.877 3.305 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 248 1.655 4.354 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 248 1.358 6.731 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 248 2.968 6.287 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.804 7.113 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 248 -0.557 5.566 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 248 -0.390 5.675 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 248 -0.529 4.084 -0.626 1.00 0.00 H new ATOM 952 N ILE A 249 0.464 3.719 -3.307 1.00 0.00 N ATOM 953 CA ILE A 249 -0.356 3.748 -4.496 1.00 0.00 C ATOM 954 C ILE A 249 -1.809 3.863 -4.029 1.00 0.00 C ATOM 955 O ILE A 249 -2.121 3.597 -2.863 1.00 0.00 O ATOM 956 CB ILE A 249 -0.031 2.508 -5.357 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.625 1.202 -4.781 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.505 2.385 -5.499 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.582 0.040 -5.785 1.00 0.00 C ATOM 0 H ILE A 249 0.277 2.900 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 249 -0.161 4.601 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.494 2.649 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -0.074 0.922 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.657 1.379 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.746 1.512 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.899 3.281 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 249 1.954 2.276 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -1.011 -0.852 -5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -1.156 0.305 -6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.452 -0.159 -6.067 1.00 0.00 H new ATOM 971 N GLN A 250 -2.700 4.311 -4.904 1.00 0.00 N ATOM 972 CA GLN A 250 -4.092 4.471 -4.541 1.00 0.00 C ATOM 973 C GLN A 250 -4.677 3.077 -4.327 1.00 0.00 C ATOM 974 O GLN A 250 -4.611 2.238 -5.225 1.00 0.00 O ATOM 975 CB GLN A 250 -4.800 5.294 -5.634 1.00 0.00 C ATOM 976 CG GLN A 250 -6.116 5.930 -5.168 1.00 0.00 C ATOM 977 CD GLN A 250 -7.225 4.905 -4.983 1.00 0.00 C ATOM 978 OE1 GLN A 250 -7.777 4.392 -5.954 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.559 4.548 -3.759 1.00 0.00 N ATOM 0 H GLN A 250 -2.479 4.568 -5.866 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.227 5.025 -3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -4.128 6.080 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -5.001 4.649 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -5.949 6.454 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.433 6.676 -5.896 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -7.096 4.978 -2.958 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.280 3.842 -3.613 1.00 0.00 H new ATOM 988 N ASN A 251 -5.214 2.836 -3.130 1.00 0.00 N ATOM 989 CA ASN A 251 -5.911 1.619 -2.732 1.00 0.00 C ATOM 990 C ASN A 251 -6.896 1.165 -3.818 1.00 0.00 C ATOM 991 O ASN A 251 -7.933 1.812 -3.985 1.00 0.00 O ATOM 992 CB ASN A 251 -6.603 1.879 -1.390 1.00 0.00 C ATOM 993 CG ASN A 251 -7.362 0.677 -0.838 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.667 -0.286 -1.537 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.705 0.716 0.435 1.00 0.00 N ATOM 0 H ASN A 251 -5.171 3.521 -2.376 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.201 0.801 -2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -5.854 2.188 -0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.297 2.711 -1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -8.228 -0.057 0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -7.448 1.520 1.008 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.592 0.092 -4.570 1.00 0.00 N ATOM 1003 CA PRO A 252 -7.371 -0.290 -5.736 1.00 0.00 C ATOM 1004 C PRO A 252 -8.729 -0.873 -5.340 1.00 0.00 C ATOM 1005 O PRO A 252 -9.641 -0.908 -6.163 1.00 0.00 O ATOM 1006 CB PRO A 252 -6.516 -1.326 -6.466 1.00 0.00 C ATOM 1007 CG PRO A 252 -5.729 -1.990 -5.344 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.487 -0.834 -4.380 1.00 0.00 C ATOM 0 HA PRO A 252 -7.595 0.570 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -7.131 -2.046 -7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -5.856 -0.859 -7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -6.292 -2.797 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -4.794 -2.421 -5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -5.449 -1.188 -3.350 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.533 -0.349 -4.586 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.879 -1.342 -4.095 1.00 0.00 N ATOM 1017 CA GLU A 253 -10.133 -1.826 -3.557 1.00 0.00 C ATOM 1018 C GLU A 253 -10.982 -0.612 -3.185 1.00 0.00 C ATOM 1019 O GLU A 253 -12.010 -0.397 -3.828 1.00 0.00 O ATOM 1020 CB GLU A 253 -9.866 -2.774 -2.368 1.00 0.00 C ATOM 1021 CG GLU A 253 -10.605 -4.107 -2.528 1.00 0.00 C ATOM 1022 CD GLU A 253 -9.922 -5.230 -1.741 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -9.923 -5.195 -0.488 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -9.305 -6.127 -2.371 1.00 0.00 O ATOM 0 H GLU A 253 -8.109 -1.392 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 253 -10.685 -2.414 -4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -8.795 -2.960 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -10.180 -2.293 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -11.634 -3.996 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -10.647 -4.376 -3.584 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.532 0.137 -2.165 1.00 0.00 N ATOM 1032 CA TYR A 254 -11.113 1.322 -1.528 1.00 0.00 C ATOM 1033 C TYR A 254 -12.625 1.400 -1.720 1.00 0.00 C ATOM 1034 O TYR A 254 -13.102 1.936 -2.720 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.397 2.608 -1.984 1.00 0.00 C ATOM 1036 CG TYR A 254 -10.825 3.914 -1.323 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -11.250 3.970 0.023 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -10.745 5.110 -2.063 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -11.644 5.193 0.596 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -11.100 6.338 -1.483 1.00 0.00 C ATOM 1041 CZ TYR A 254 -11.538 6.390 -0.147 1.00 0.00 C ATOM 1042 OH TYR A 254 -11.811 7.596 0.426 1.00 0.00 O ATOM 0 H TYR A 254 -9.648 -0.106 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.951 1.225 -0.455 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.328 2.478 -1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -10.539 2.711 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -11.273 3.068 0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -10.407 5.082 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -12.028 5.217 1.605 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -11.037 7.246 -2.064 1.00 0.00 H new ATOM 0 HH TYR A 254 -11.220 7.734 1.196 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.385 0.880 -0.734 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.850 0.885 -0.784 1.00 0.00 C ATOM 1054 C LYS A 255 -15.378 2.307 -1.017 1.00 0.00 C ATOM 1055 O LYS A 255 -16.420 2.480 -1.655 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.475 0.265 0.473 1.00 0.00 C ATOM 1057 CG LYS A 255 -15.045 -1.189 0.719 1.00 0.00 C ATOM 1058 CD LYS A 255 -15.720 -1.695 1.997 1.00 0.00 C ATOM 1059 CE LYS A 255 -15.128 -3.007 2.519 1.00 0.00 C ATOM 1060 NZ LYS A 255 -15.625 -4.213 1.823 1.00 0.00 N ATOM 0 H LYS A 255 -13.000 0.451 0.107 1.00 0.00 H new ATOM 0 HA LYS A 255 -15.148 0.261 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.202 0.868 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.561 0.305 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -15.326 -1.814 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -13.961 -1.251 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -15.633 -0.933 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -16.784 -1.836 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -14.043 -2.967 2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -15.351 -3.096 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -15.179 -5.059 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -16.657 -4.278 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -15.389 -4.152 0.812 1.00 0.00 H new ATOM 1074 N GLY A 256 -14.612 3.317 -0.595 1.00 0.00 N ATOM 1075 CA GLY A 256 -14.619 4.637 -1.192 1.00 0.00 C ATOM 1076 C GLY A 256 -15.597 5.496 -0.437 1.00 0.00 C ATOM 1077 O GLY A 256 -15.199 6.371 0.334 1.00 0.00 O ATOM 0 H GLY A 256 -13.961 3.229 0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -13.622 5.075 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -14.901 4.576 -2.243 1.00 0.00 H new ATOM 1081 N GLU A 257 -16.879 5.238 -0.647 1.00 0.00 N ATOM 1082 CA GLU A 257 -17.975 5.774 0.103 1.00 0.00 C ATOM 1083 C GLU A 257 -18.491 4.695 1.064 1.00 0.00 C ATOM 1084 O GLU A 257 -18.136 3.524 0.930 1.00 0.00 O ATOM 1085 CB GLU A 257 -19.047 6.184 -0.920 1.00 0.00 C ATOM 1086 CG GLU A 257 -19.696 5.018 -1.709 1.00 0.00 C ATOM 1087 CD GLU A 257 -19.673 5.148 -3.240 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -18.688 5.643 -3.836 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -20.660 4.716 -3.889 1.00 0.00 O ATOM 0 H GLU A 257 -17.186 4.612 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 257 -17.689 6.638 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -19.834 6.729 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -18.599 6.877 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -19.189 4.093 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -20.733 4.920 -1.388 1.00 0.00 H new ATOM 1096 N TRP A 258 -19.388 5.048 1.983 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.276 4.118 2.675 1.00 0.00 C ATOM 1098 C TRP A 258 -21.715 4.520 2.398 1.00 0.00 C ATOM 1099 O TRP A 258 -22.008 5.680 2.081 1.00 0.00 O ATOM 1100 CB TRP A 258 -19.978 4.089 4.177 1.00 0.00 C ATOM 1101 CG TRP A 258 -21.032 3.426 5.017 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.117 2.118 5.358 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.269 4.036 5.487 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.291 1.905 6.064 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -23.074 3.031 6.086 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -22.829 5.321 5.359 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.369 3.286 6.548 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -24.135 5.588 5.800 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -24.900 4.576 6.403 1.00 0.00 C ATOM 0 H TRP A 258 -19.520 6.017 2.274 1.00 0.00 H new ATOM 0 HA TRP A 258 -20.111 3.107 2.303 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.031 3.574 4.335 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -19.846 5.113 4.527 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.386 1.360 5.118 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -22.541 1.023 6.511 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -22.245 6.114 4.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -24.951 2.502 7.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -24.553 6.576 5.675 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -25.898 4.791 6.755 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.620 3.544 2.485 1.00 0.00 N ATOM 1121 CA LYS A 259 -24.049 3.718 2.315 1.00 0.00 C ATOM 1122 C LYS A 259 -24.750 2.656 3.170 1.00 0.00 C ATOM 1123 O LYS A 259 -24.169 1.591 3.377 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.407 3.520 0.836 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.625 4.408 -0.142 1.00 0.00 C ATOM 1126 CD LYS A 259 -23.915 4.104 -1.608 1.00 0.00 C ATOM 1127 CE LYS A 259 -23.165 2.852 -2.077 1.00 0.00 C ATOM 1128 NZ LYS A 259 -22.772 2.975 -3.494 1.00 0.00 N ATOM 0 H LYS A 259 -22.360 2.578 2.683 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.362 4.716 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -24.236 2.476 0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.472 3.712 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -23.864 5.452 0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.558 4.284 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -24.987 3.962 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -23.624 4.956 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -22.278 2.702 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -23.797 1.974 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -22.631 2.027 -3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -23.521 3.468 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -21.887 3.516 -3.563 1.00 0.00 H new ATOM 1142 N PRO A 260 -25.998 2.884 3.606 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.777 1.942 4.410 1.00 0.00 C ATOM 1144 C PRO A 260 -27.407 0.873 3.507 1.00 0.00 C ATOM 1145 O PRO A 260 -28.628 0.708 3.477 1.00 0.00 O ATOM 1146 CB PRO A 260 -27.822 2.819 5.110 1.00 0.00 C ATOM 1147 CG PRO A 260 -28.082 3.927 4.093 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.745 4.109 3.382 1.00 0.00 C ATOM 0 HA PRO A 260 -26.181 1.389 5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.730 2.260 5.338 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.448 3.217 6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.870 3.648 3.393 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -28.401 4.848 4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -26.892 4.286 2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -26.208 4.971 3.778 1.00 0.00 H new ATOM 1156 N ARG A 261 -26.601 0.251 2.649 1.00 0.00 N ATOM 1157 CA ARG A 261 -27.010 -0.623 1.578 1.00 0.00 C ATOM 1158 C ARG A 261 -25.726 -1.228 1.048 1.00 0.00 C ATOM 1159 O ARG A 261 -25.128 -2.023 1.800 1.00 0.00 O ATOM 1160 CB ARG A 261 -27.823 0.155 0.532 1.00 0.00 C ATOM 1161 CG ARG A 261 -27.315 1.567 0.190 1.00 0.00 C ATOM 1162 CD ARG A 261 -27.819 2.076 -1.162 1.00 0.00 C ATOM 1163 NE ARG A 261 -27.212 1.299 -2.250 1.00 0.00 N ATOM 1164 CZ ARG A 261 -27.228 1.556 -3.557 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -27.722 2.690 -4.043 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -26.683 0.659 -4.366 1.00 0.00 N ATOM 0 H ARG A 261 -25.588 0.357 2.695 1.00 0.00 H new ATOM 0 HA ARG A 261 -27.682 -1.419 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -27.850 -0.431 -0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -28.850 0.237 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -27.629 2.259 0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -26.225 1.563 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -28.905 1.995 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -27.573 3.132 -1.277 1.00 0.00 H new ATOM 0 HE ARG A 261 -26.714 0.454 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -28.103 3.393 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -27.720 2.857 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -26.271 -0.191 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -26.675 0.819 -5.373 1.00 0.00 H new