USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=7 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+ 167:sc= 1.05 (180deg=0.914) USER MOD Single : A 214 SER OG : rot 29:sc= 0.285 USER MOD Single : A 215 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.21) USER MOD Single : A 221 LYS NZ :NH3+ 146:sc= 1.19 (180deg=0.517) USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ -140:sc= -0.0953 (180deg=-1.52!) USER MOD Single : A 240 MET CE :methyl -161:sc= -0.0602 (180deg=-0.493) USER MOD Single : A 250 GLN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 251 ASN : amide:sc= 0.978 K(o=0.98,f=-1.1) USER MOD Single : A 254 TYR OH : rot -89:sc= 0.0671 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -18.813 -9.582 25.584 1.00 0.00 N ATOM 124 CA ASP A 195 -17.550 -8.877 25.681 1.00 0.00 C ATOM 125 C ASP A 195 -17.126 -8.457 24.281 1.00 0.00 C ATOM 126 O ASP A 195 -16.577 -9.227 23.492 1.00 0.00 O ATOM 127 CB ASP A 195 -16.453 -9.629 26.463 1.00 0.00 C ATOM 128 CG ASP A 195 -15.553 -10.599 25.676 1.00 0.00 C ATOM 129 OD1 ASP A 195 -16.031 -11.630 25.160 1.00 0.00 O ATOM 130 OD2 ASP A 195 -14.327 -10.352 25.557 1.00 0.00 O ATOM 0 HA ASP A 195 -17.701 -7.988 26.293 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -15.812 -8.887 26.939 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -16.936 -10.192 27.262 1.00 0.00 H new ATOM 135 N ALA A 196 -17.419 -7.197 23.988 1.00 0.00 N ATOM 136 CA ALA A 196 -17.129 -6.495 22.744 1.00 0.00 C ATOM 137 C ALA A 196 -17.648 -7.249 21.513 1.00 0.00 C ATOM 138 O ALA A 196 -16.900 -7.980 20.857 1.00 0.00 O ATOM 139 CB ALA A 196 -15.644 -6.123 22.640 1.00 0.00 C ATOM 0 H ALA A 196 -17.899 -6.597 24.659 1.00 0.00 H new ATOM 0 HA ALA A 196 -17.682 -5.556 22.766 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -15.465 -5.601 21.700 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -15.372 -5.474 23.473 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -15.039 -7.029 22.673 1.00 0.00 H new ATOM 145 N ALA A 197 -18.924 -7.003 21.204 1.00 0.00 N ATOM 146 CA ALA A 197 -19.727 -7.487 20.087 1.00 0.00 C ATOM 147 C ALA A 197 -20.386 -8.810 20.455 1.00 0.00 C ATOM 148 O ALA A 197 -19.714 -9.830 20.605 1.00 0.00 O ATOM 149 CB ALA A 197 -18.955 -7.595 18.771 1.00 0.00 C ATOM 0 H ALA A 197 -19.478 -6.390 21.801 1.00 0.00 H new ATOM 0 HA ALA A 197 -20.496 -6.737 19.905 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -19.619 -7.962 17.988 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -18.573 -6.613 18.492 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -18.122 -8.287 18.894 1.00 0.00 H new ATOM 155 N LYS A 198 -21.712 -8.795 20.625 1.00 0.00 N ATOM 156 CA LYS A 198 -22.473 -9.975 20.995 1.00 0.00 C ATOM 157 C LYS A 198 -22.201 -11.154 20.061 1.00 0.00 C ATOM 158 O LYS A 198 -21.968 -10.961 18.868 1.00 0.00 O ATOM 159 CB LYS A 198 -23.970 -9.654 21.105 1.00 0.00 C ATOM 160 CG LYS A 198 -24.790 -9.531 19.808 1.00 0.00 C ATOM 161 CD LYS A 198 -25.273 -8.092 19.576 1.00 0.00 C ATOM 162 CE LYS A 198 -24.477 -7.257 18.563 1.00 0.00 C ATOM 163 NZ LYS A 198 -24.771 -7.685 17.177 1.00 0.00 N ATOM 0 H LYS A 198 -22.282 -7.957 20.508 1.00 0.00 H new ATOM 0 HA LYS A 198 -22.133 -10.286 21.983 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -24.431 -10.429 21.717 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -24.069 -8.716 21.651 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -24.183 -9.852 18.962 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -25.649 -10.200 19.856 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -26.311 -8.130 19.246 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -25.261 -7.570 20.533 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -24.724 -6.202 18.682 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -23.410 -7.359 18.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -24.402 -6.978 16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -24.318 -8.603 16.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -25.800 -7.775 17.052 1.00 0.00 H new ATOM 177 N PRO A 199 -22.338 -12.383 20.573 1.00 0.00 N ATOM 178 CA PRO A 199 -22.122 -13.599 19.809 1.00 0.00 C ATOM 179 C PRO A 199 -23.339 -13.960 18.946 1.00 0.00 C ATOM 180 O PRO A 199 -23.727 -15.128 18.866 1.00 0.00 O ATOM 181 CB PRO A 199 -21.751 -14.624 20.881 1.00 0.00 C ATOM 182 CG PRO A 199 -22.502 -14.175 22.131 1.00 0.00 C ATOM 183 CD PRO A 199 -22.501 -12.662 21.987 1.00 0.00 C ATOM 0 HA PRO A 199 -21.334 -13.522 19.060 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -22.045 -15.631 20.584 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -20.675 -14.644 21.053 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -23.514 -14.579 22.164 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -22.000 -14.496 23.044 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -23.432 -12.236 22.362 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -21.691 -12.218 22.566 1.00 0.00 H new ATOM 191 N GLU A 200 -23.919 -12.957 18.273 1.00 0.00 N ATOM 192 CA GLU A 200 -25.085 -13.027 17.387 1.00 0.00 C ATOM 193 C GLU A 200 -26.351 -13.562 18.072 1.00 0.00 C ATOM 194 O GLU A 200 -27.376 -13.805 17.446 1.00 0.00 O ATOM 195 CB GLU A 200 -24.657 -13.759 16.099 1.00 0.00 C ATOM 196 CG GLU A 200 -25.722 -13.820 15.005 1.00 0.00 C ATOM 197 CD GLU A 200 -25.120 -14.241 13.657 1.00 0.00 C ATOM 198 OE1 GLU A 200 -24.286 -15.174 13.629 1.00 0.00 O ATOM 199 OE2 GLU A 200 -25.456 -13.614 12.632 1.00 0.00 O ATOM 0 H GLU A 200 -23.557 -12.006 18.340 1.00 0.00 H new ATOM 0 HA GLU A 200 -25.407 -12.023 17.109 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -23.772 -13.266 15.696 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -24.365 -14.777 16.358 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -26.501 -14.526 15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -26.197 -12.844 14.904 1.00 0.00 H new ATOM 206 N ASP A 201 -26.305 -13.716 19.389 1.00 0.00 N ATOM 207 CA ASP A 201 -27.069 -14.759 20.063 1.00 0.00 C ATOM 208 C ASP A 201 -28.378 -14.226 20.612 1.00 0.00 C ATOM 209 O ASP A 201 -29.433 -14.855 20.562 1.00 0.00 O ATOM 210 CB ASP A 201 -26.162 -15.265 21.189 1.00 0.00 C ATOM 211 CG ASP A 201 -26.658 -16.540 21.883 1.00 0.00 C ATOM 212 OD1 ASP A 201 -27.640 -16.502 22.653 1.00 0.00 O ATOM 213 OD2 ASP A 201 -26.046 -17.616 21.642 1.00 0.00 O ATOM 0 H ASP A 201 -25.747 -13.132 20.012 1.00 0.00 H new ATOM 0 HA ASP A 201 -27.343 -15.558 19.374 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -25.168 -15.452 20.782 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -26.058 -14.478 21.935 1.00 0.00 H new ATOM 218 N TRP A 202 -28.284 -13.004 21.110 1.00 0.00 N ATOM 219 CA TRP A 202 -29.357 -12.229 21.683 1.00 0.00 C ATOM 220 C TRP A 202 -29.670 -11.001 20.834 1.00 0.00 C ATOM 221 O TRP A 202 -30.566 -10.243 21.196 1.00 0.00 O ATOM 222 CB TRP A 202 -28.979 -11.883 23.122 1.00 0.00 C ATOM 223 CG TRP A 202 -27.543 -11.864 23.501 1.00 0.00 C ATOM 224 CD1 TRP A 202 -26.767 -10.806 23.260 1.00 0.00 C ATOM 225 CD2 TRP A 202 -26.706 -12.837 24.195 1.00 0.00 C ATOM 226 NE1 TRP A 202 -25.533 -11.002 23.822 1.00 0.00 N ATOM 227 CE2 TRP A 202 -25.412 -12.263 24.364 1.00 0.00 C ATOM 228 CE3 TRP A 202 -26.893 -14.144 24.683 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -24.355 -12.963 24.966 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -25.849 -14.849 25.304 1.00 0.00 C ATOM 231 CH2 TRP A 202 -24.584 -14.261 25.447 1.00 0.00 C ATOM 0 H TRP A 202 -27.397 -12.501 21.123 1.00 0.00 H new ATOM 0 HA TRP A 202 -30.280 -12.809 21.697 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -29.392 -10.899 23.344 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -29.483 -12.595 23.776 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -27.066 -9.928 22.706 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -24.794 -10.300 23.837 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -27.859 -14.614 24.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -23.379 -12.509 25.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -26.021 -15.849 25.673 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -23.786 -14.807 25.927 1.00 0.00 H new ATOM 242 N ASP A 203 -28.880 -10.776 19.783 1.00 0.00 N ATOM 243 CA ASP A 203 -28.700 -9.526 19.049 1.00 0.00 C ATOM 244 C ASP A 203 -28.963 -8.297 19.915 1.00 0.00 C ATOM 245 O ASP A 203 -29.928 -7.559 19.756 1.00 0.00 O ATOM 246 CB ASP A 203 -29.414 -9.434 17.699 1.00 0.00 C ATOM 247 CG ASP A 203 -28.802 -8.289 16.863 1.00 0.00 C ATOM 248 OD1 ASP A 203 -27.628 -7.895 17.105 1.00 0.00 O ATOM 249 OD2 ASP A 203 -29.483 -7.768 15.951 1.00 0.00 O ATOM 0 H ASP A 203 -28.305 -11.523 19.394 1.00 0.00 H new ATOM 0 HA ASP A 203 -27.642 -9.539 18.789 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -29.321 -10.378 17.163 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -30.479 -9.257 17.851 1.00 0.00 H new ATOM 254 N GLU A 204 -28.087 -8.094 20.897 1.00 0.00 N ATOM 255 CA GLU A 204 -28.102 -6.912 21.751 1.00 0.00 C ATOM 256 C GLU A 204 -29.308 -6.886 22.696 1.00 0.00 C ATOM 257 O GLU A 204 -29.692 -5.858 23.258 1.00 0.00 O ATOM 258 CB GLU A 204 -27.890 -5.640 20.905 1.00 0.00 C ATOM 259 CG GLU A 204 -26.612 -4.857 21.252 1.00 0.00 C ATOM 260 CD GLU A 204 -26.271 -4.840 22.748 1.00 0.00 C ATOM 261 OE1 GLU A 204 -26.872 -4.076 23.537 1.00 0.00 O ATOM 262 OE2 GLU A 204 -25.421 -5.657 23.159 1.00 0.00 O ATOM 0 H GLU A 204 -27.341 -8.752 21.123 1.00 0.00 H new ATOM 0 HA GLU A 204 -27.255 -6.953 22.436 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -27.857 -5.919 19.852 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -28.751 -4.984 21.034 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -25.774 -5.290 20.705 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -26.723 -3.830 20.904 1.00 0.00 H new ATOM 269 N ARG A 205 -29.871 -8.075 22.924 1.00 0.00 N ATOM 270 CA ARG A 205 -30.995 -8.369 23.783 1.00 0.00 C ATOM 271 C ARG A 205 -32.225 -7.566 23.360 1.00 0.00 C ATOM 272 O ARG A 205 -33.083 -7.243 24.186 1.00 0.00 O ATOM 273 CB ARG A 205 -30.508 -8.180 25.224 1.00 0.00 C ATOM 274 CG ARG A 205 -30.700 -9.439 26.059 1.00 0.00 C ATOM 275 CD ARG A 205 -32.168 -9.757 26.331 1.00 0.00 C ATOM 276 NE ARG A 205 -32.279 -10.760 27.403 1.00 0.00 N ATOM 277 CZ ARG A 205 -33.267 -10.847 28.298 1.00 0.00 C ATOM 278 NH1 ARG A 205 -34.365 -10.103 28.160 1.00 0.00 N ATOM 279 NH2 ARG A 205 -33.162 -11.683 29.322 1.00 0.00 N ATOM 0 H ARG A 205 -29.516 -8.917 22.471 1.00 0.00 H new ATOM 0 HA ARG A 205 -31.346 -9.398 23.700 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -29.453 -7.906 25.217 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -31.049 -7.353 25.684 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -30.241 -10.283 25.544 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -30.178 -9.322 27.008 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -32.698 -8.848 26.616 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -32.641 -10.130 25.423 1.00 0.00 H new ATOM 0 HE ARG A 205 -31.533 -11.452 27.468 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -34.453 -9.465 27.369 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -35.117 -10.172 28.845 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -32.327 -12.259 29.426 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -33.916 -11.750 30.005 1.00 0.00 H new ATOM 293 N ALA A 206 -32.263 -7.208 22.081 1.00 0.00 N ATOM 294 CA ALA A 206 -33.230 -6.368 21.401 1.00 0.00 C ATOM 295 C ALA A 206 -33.192 -6.798 19.928 1.00 0.00 C ATOM 296 O ALA A 206 -32.752 -7.908 19.628 1.00 0.00 O ATOM 297 CB ALA A 206 -32.847 -4.891 21.611 1.00 0.00 C ATOM 0 H ALA A 206 -31.544 -7.534 21.435 1.00 0.00 H new ATOM 0 HA ALA A 206 -34.245 -6.475 21.784 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -33.569 -4.252 21.103 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -32.848 -4.663 22.677 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -31.853 -4.711 21.202 1.00 0.00 H new ATOM 408 N SER A 214 -23.585 1.408 10.480 1.00 0.00 N ATOM 409 CA SER A 214 -23.288 2.754 10.036 1.00 0.00 C ATOM 410 C SER A 214 -21.774 2.898 10.005 1.00 0.00 C ATOM 411 O SER A 214 -21.185 3.462 10.930 1.00 0.00 O ATOM 412 CB SER A 214 -23.996 3.799 10.910 1.00 0.00 C ATOM 413 OG SER A 214 -25.357 3.416 11.123 1.00 0.00 O ATOM 0 HA SER A 214 -23.674 2.935 9.033 1.00 0.00 H new ATOM 0 HB2 SER A 214 -23.482 3.894 11.867 1.00 0.00 H new ATOM 0 HB3 SER A 214 -23.955 4.776 10.428 1.00 0.00 H new ATOM 0 HG SER A 214 -25.431 2.439 11.093 1.00 0.00 H new ATOM 419 N LYS A 215 -21.181 2.355 8.939 1.00 0.00 N ATOM 420 CA LYS A 215 -19.751 2.221 8.690 1.00 0.00 C ATOM 421 C LYS A 215 -19.132 1.155 9.600 1.00 0.00 C ATOM 422 O LYS A 215 -18.916 1.433 10.777 1.00 0.00 O ATOM 423 CB LYS A 215 -19.035 3.580 8.765 1.00 0.00 C ATOM 424 CG LYS A 215 -18.451 3.905 7.394 1.00 0.00 C ATOM 425 CD LYS A 215 -17.651 5.206 7.313 1.00 0.00 C ATOM 426 CE LYS A 215 -17.149 5.393 5.863 1.00 0.00 C ATOM 427 NZ LYS A 215 -16.268 6.562 5.664 1.00 0.00 N ATOM 0 H LYS A 215 -21.733 1.970 8.172 1.00 0.00 H new ATOM 0 HA LYS A 215 -19.611 1.869 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -19.734 4.358 9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -18.244 3.549 9.514 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -17.805 3.082 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -19.267 3.955 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -18.273 6.051 7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -16.808 5.174 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -16.612 4.494 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -18.011 5.488 5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -16.355 6.900 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -16.546 7.321 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -15.282 6.289 5.849 1.00 0.00 H new ATOM 441 N PRO A 216 -18.884 -0.062 9.086 1.00 0.00 N ATOM 442 CA PRO A 216 -18.243 -1.116 9.856 1.00 0.00 C ATOM 443 C PRO A 216 -16.741 -0.849 10.000 1.00 0.00 C ATOM 444 O PRO A 216 -16.175 0.026 9.340 1.00 0.00 O ATOM 445 CB PRO A 216 -18.519 -2.406 9.080 1.00 0.00 C ATOM 446 CG PRO A 216 -18.617 -1.937 7.633 1.00 0.00 C ATOM 447 CD PRO A 216 -19.222 -0.537 7.751 1.00 0.00 C ATOM 0 HA PRO A 216 -18.630 -1.177 10.873 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -17.718 -3.133 9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -19.441 -2.884 9.410 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -17.639 -1.912 7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -19.248 -2.598 7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -18.818 0.128 6.987 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -20.302 -0.566 7.610 1.00 0.00 H new ATOM 455 N GLU A 217 -16.084 -1.668 10.817 1.00 0.00 N ATOM 456 CA GLU A 217 -14.707 -1.538 11.279 1.00 0.00 C ATOM 457 C GLU A 217 -13.643 -1.844 10.215 1.00 0.00 C ATOM 458 O GLU A 217 -12.448 -1.800 10.512 1.00 0.00 O ATOM 459 CB GLU A 217 -14.508 -2.356 12.575 1.00 0.00 C ATOM 460 CG GLU A 217 -15.039 -3.793 12.455 1.00 0.00 C ATOM 461 CD GLU A 217 -14.545 -4.710 13.575 1.00 0.00 C ATOM 462 OE1 GLU A 217 -15.242 -4.820 14.613 1.00 0.00 O ATOM 463 OE2 GLU A 217 -13.557 -5.449 13.357 1.00 0.00 O ATOM 0 H GLU A 217 -16.533 -2.499 11.200 1.00 0.00 H new ATOM 0 HA GLU A 217 -14.549 -0.482 11.500 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -13.447 -2.384 12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -15.014 -1.853 13.399 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -16.129 -3.773 12.464 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -14.735 -4.207 11.494 1.00 0.00 H new ATOM 470 N ASP A 218 -14.035 -2.109 8.967 1.00 0.00 N ATOM 471 CA ASP A 218 -13.091 -2.259 7.850 1.00 0.00 C ATOM 472 C ASP A 218 -13.485 -1.525 6.570 1.00 0.00 C ATOM 473 O ASP A 218 -12.822 -1.694 5.542 1.00 0.00 O ATOM 474 CB ASP A 218 -12.795 -3.734 7.555 1.00 0.00 C ATOM 475 CG ASP A 218 -11.379 -3.915 6.990 1.00 0.00 C ATOM 476 OD1 ASP A 218 -10.392 -3.709 7.727 1.00 0.00 O ATOM 477 OD2 ASP A 218 -11.219 -4.369 5.836 1.00 0.00 O ATOM 0 H ASP A 218 -15.012 -2.226 8.699 1.00 0.00 H new ATOM 0 HA ASP A 218 -12.181 -1.771 8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -12.902 -4.319 8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -13.525 -4.119 6.843 1.00 0.00 H new ATOM 482 N TRP A 219 -14.562 -0.730 6.572 1.00 0.00 N ATOM 483 CA TRP A 219 -14.950 -0.015 5.363 1.00 0.00 C ATOM 484 C TRP A 219 -14.008 1.156 5.071 1.00 0.00 C ATOM 485 O TRP A 219 -13.547 1.294 3.938 1.00 0.00 O ATOM 486 CB TRP A 219 -16.403 0.457 5.450 1.00 0.00 C ATOM 487 CG TRP A 219 -16.939 1.011 4.167 1.00 0.00 C ATOM 488 CD1 TRP A 219 -16.556 2.175 3.600 1.00 0.00 C ATOM 489 CD2 TRP A 219 -17.936 0.443 3.265 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.218 2.359 2.407 1.00 0.00 N ATOM 491 CE2 TRP A 219 -18.116 1.343 2.174 1.00 0.00 C ATOM 492 CE3 TRP A 219 -18.734 -0.723 3.268 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -19.062 1.117 1.166 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -19.687 -0.959 2.258 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.866 -0.030 1.219 1.00 0.00 C ATOM 0 H TRP A 219 -15.164 -0.571 7.380 1.00 0.00 H new ATOM 0 HA TRP A 219 -14.869 -0.713 4.530 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -17.028 -0.379 5.762 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -16.481 1.220 6.224 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -15.836 2.861 4.021 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.063 3.146 1.777 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -18.611 -1.447 4.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -19.171 1.821 0.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -20.283 -1.859 2.282 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -20.620 -0.199 0.464 1.00 0.00 H new ATOM 506 N ASP A 220 -13.782 2.034 6.045 1.00 0.00 N ATOM 507 CA ASP A 220 -13.070 3.300 5.929 1.00 0.00 C ATOM 508 C ASP A 220 -11.578 3.000 5.854 1.00 0.00 C ATOM 509 O ASP A 220 -10.898 2.808 6.867 1.00 0.00 O ATOM 510 CB ASP A 220 -13.422 4.221 7.106 1.00 0.00 C ATOM 511 CG ASP A 220 -12.866 5.632 6.906 1.00 0.00 C ATOM 512 OD1 ASP A 220 -11.658 5.878 7.126 1.00 0.00 O ATOM 513 OD2 ASP A 220 -13.651 6.521 6.511 1.00 0.00 O ATOM 0 H ASP A 220 -14.113 1.868 6.995 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.367 3.829 5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -14.505 4.269 7.219 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -13.024 3.800 8.029 1.00 0.00 H new ATOM 518 N LYS A 221 -11.089 2.873 4.626 1.00 0.00 N ATOM 519 CA LYS A 221 -9.684 2.646 4.313 1.00 0.00 C ATOM 520 C LYS A 221 -9.117 3.878 3.625 1.00 0.00 C ATOM 521 O LYS A 221 -9.830 4.478 2.821 1.00 0.00 O ATOM 522 CB LYS A 221 -9.527 1.439 3.381 1.00 0.00 C ATOM 523 CG LYS A 221 -9.903 0.104 4.021 1.00 0.00 C ATOM 524 CD LYS A 221 -8.974 -0.258 5.177 1.00 0.00 C ATOM 525 CE LYS A 221 -9.335 -1.651 5.675 1.00 0.00 C ATOM 526 NZ LYS A 221 -8.413 -2.127 6.718 1.00 0.00 N ATOM 0 H LYS A 221 -11.678 2.927 3.795 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.147 2.450 5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -10.146 1.593 2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -8.493 1.388 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -10.930 0.152 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -9.867 -0.682 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -7.935 -0.231 4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -9.073 0.469 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -10.352 -1.642 6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -9.324 -2.348 4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -8.934 -2.714 7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -7.657 -2.692 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -7.995 -1.312 7.211 1.00 0.00 H new ATOM 540 N PRO A 222 -7.836 4.198 3.858 1.00 0.00 N ATOM 541 CA PRO A 222 -7.231 5.371 3.271 1.00 0.00 C ATOM 542 C PRO A 222 -7.009 5.169 1.773 1.00 0.00 C ATOM 543 O PRO A 222 -6.874 4.052 1.264 1.00 0.00 O ATOM 544 CB PRO A 222 -5.931 5.596 4.042 1.00 0.00 C ATOM 545 CG PRO A 222 -5.559 4.207 4.552 1.00 0.00 C ATOM 546 CD PRO A 222 -6.903 3.504 4.732 1.00 0.00 C ATOM 0 HA PRO A 222 -7.869 6.252 3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.152 6.007 3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -6.071 6.299 4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -4.925 3.678 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.009 4.261 5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -6.831 2.449 4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.232 3.550 5.770 1.00 0.00 H new ATOM 554 N GLU A 223 -6.951 6.296 1.080 1.00 0.00 N ATOM 555 CA GLU A 223 -6.871 6.440 -0.356 1.00 0.00 C ATOM 556 C GLU A 223 -5.512 5.947 -0.866 1.00 0.00 C ATOM 557 O GLU A 223 -5.453 5.263 -1.893 1.00 0.00 O ATOM 558 CB GLU A 223 -7.091 7.914 -0.745 1.00 0.00 C ATOM 559 CG GLU A 223 -8.261 8.665 -0.086 1.00 0.00 C ATOM 560 CD GLU A 223 -7.909 9.399 1.217 1.00 0.00 C ATOM 561 OE1 GLU A 223 -7.415 8.756 2.166 1.00 0.00 O ATOM 562 OE2 GLU A 223 -8.038 10.637 1.328 1.00 0.00 O ATOM 0 H GLU A 223 -6.960 7.202 1.549 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.650 5.834 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.174 8.460 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.231 7.958 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -8.655 9.390 -0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.060 7.953 0.120 1.00 0.00 H new ATOM 569 N HIS A 224 -4.435 6.303 -0.156 1.00 0.00 N ATOM 570 CA HIS A 224 -3.052 5.885 -0.431 1.00 0.00 C ATOM 571 C HIS A 224 -2.618 4.853 0.615 1.00 0.00 C ATOM 572 O HIS A 224 -2.699 5.115 1.820 1.00 0.00 O ATOM 573 CB HIS A 224 -2.091 7.092 -0.498 1.00 0.00 C ATOM 574 CG HIS A 224 -2.599 8.178 -1.412 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.425 9.222 -1.060 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.368 8.264 -2.755 1.00 0.00 C ATOM 577 CE1 HIS A 224 -3.689 9.927 -2.172 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.100 9.357 -3.241 1.00 0.00 N ATOM 0 H HIS A 224 -4.504 6.914 0.658 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.011 5.418 -1.415 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -1.952 7.499 0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.113 6.756 -0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -1.736 7.609 -3.337 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -4.289 10.824 -2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.172 9.660 -4.212 1.00 0.00 H new ATOM 586 N ILE A 225 -2.143 3.691 0.156 1.00 0.00 N ATOM 587 CA ILE A 225 -1.638 2.590 0.977 1.00 0.00 C ATOM 588 C ILE A 225 -0.264 2.123 0.451 1.00 0.00 C ATOM 589 O ILE A 225 -0.012 2.256 -0.744 1.00 0.00 O ATOM 590 CB ILE A 225 -2.671 1.442 0.999 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.976 0.875 -0.410 1.00 0.00 C ATOM 592 CG2 ILE A 225 -3.974 1.915 1.668 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.775 -0.433 -0.370 1.00 0.00 C ATOM 0 H ILE A 225 -2.099 3.485 -0.842 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.495 2.929 2.003 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.228 0.632 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.533 1.617 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -2.038 0.705 -0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.695 1.098 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.765 2.227 2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.386 2.755 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.957 -0.780 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -3.209 -1.189 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.728 -0.262 0.131 1.00 0.00 H new ATOM 605 N PRO A 226 0.644 1.590 1.285 1.00 0.00 N ATOM 606 CA PRO A 226 2.009 1.265 0.870 1.00 0.00 C ATOM 607 C PRO A 226 2.056 -0.089 0.148 1.00 0.00 C ATOM 608 O PRO A 226 1.648 -1.084 0.756 1.00 0.00 O ATOM 609 CB PRO A 226 2.814 1.247 2.168 1.00 0.00 C ATOM 610 CG PRO A 226 1.801 0.807 3.224 1.00 0.00 C ATOM 611 CD PRO A 226 0.454 1.318 2.703 1.00 0.00 C ATOM 0 HA PRO A 226 2.412 1.986 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.654 0.555 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.227 2.230 2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.796 -0.277 3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 226 2.036 1.232 4.200 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.329 0.576 2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 226 0.147 2.219 3.235 1.00 0.00 H new ATOM 619 N ASP A 227 2.545 -0.148 -1.100 1.00 0.00 N ATOM 620 CA ASP A 227 2.478 -1.291 -2.025 1.00 0.00 C ATOM 621 C ASP A 227 2.702 -2.601 -1.285 1.00 0.00 C ATOM 622 O ASP A 227 3.816 -2.829 -0.801 1.00 0.00 O ATOM 623 CB ASP A 227 3.490 -1.176 -3.178 1.00 0.00 C ATOM 624 CG ASP A 227 3.524 -2.419 -4.090 1.00 0.00 C ATOM 625 OD1 ASP A 227 2.550 -3.204 -4.115 1.00 0.00 O ATOM 626 OD2 ASP A 227 4.525 -2.594 -4.823 1.00 0.00 O ATOM 0 H ASP A 227 3.027 0.649 -1.516 1.00 0.00 H new ATOM 0 HA ASP A 227 1.477 -1.279 -2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.246 -0.300 -3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.485 -1.011 -2.763 1.00 0.00 H new ATOM 631 N PRO A 228 1.666 -3.436 -1.110 1.00 0.00 N ATOM 632 CA PRO A 228 1.768 -4.573 -0.222 1.00 0.00 C ATOM 633 C PRO A 228 2.632 -5.676 -0.834 1.00 0.00 C ATOM 634 O PRO A 228 2.999 -6.602 -0.107 1.00 0.00 O ATOM 635 CB PRO A 228 0.328 -5.025 0.002 1.00 0.00 C ATOM 636 CG PRO A 228 -0.356 -4.682 -1.316 1.00 0.00 C ATOM 637 CD PRO A 228 0.361 -3.406 -1.761 1.00 0.00 C ATOM 0 HA PRO A 228 2.256 -4.322 0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.270 -6.092 0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -0.131 -4.503 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.245 -5.482 -2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.425 -4.518 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.466 -3.374 -2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -0.201 -2.519 -1.469 1.00 0.00 H new ATOM 645 N ASP A 229 2.984 -5.595 -2.125 1.00 0.00 N ATOM 646 CA ASP A 229 3.923 -6.558 -2.714 1.00 0.00 C ATOM 647 C ASP A 229 5.376 -6.111 -2.529 1.00 0.00 C ATOM 648 O ASP A 229 6.314 -6.909 -2.616 1.00 0.00 O ATOM 649 CB ASP A 229 3.624 -6.770 -4.198 1.00 0.00 C ATOM 650 CG ASP A 229 4.498 -7.880 -4.786 1.00 0.00 C ATOM 651 OD1 ASP A 229 4.683 -8.955 -4.169 1.00 0.00 O ATOM 652 OD2 ASP A 229 4.955 -7.712 -5.942 1.00 0.00 O ATOM 0 H ASP A 229 2.639 -4.885 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 229 3.790 -7.504 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.572 -7.025 -4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 229 3.796 -5.841 -4.742 1.00 0.00 H new ATOM 657 N ALA A 230 5.578 -4.824 -2.238 1.00 0.00 N ATOM 658 CA ALA A 230 6.879 -4.274 -1.941 1.00 0.00 C ATOM 659 C ALA A 230 7.261 -4.687 -0.524 1.00 0.00 C ATOM 660 O ALA A 230 6.528 -4.431 0.437 1.00 0.00 O ATOM 661 CB ALA A 230 6.870 -2.759 -2.129 1.00 0.00 C ATOM 0 H ALA A 230 4.826 -4.136 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 230 7.630 -4.663 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 230 7.858 -2.358 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 230 6.611 -2.522 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.135 -2.314 -1.459 1.00 0.00 H new ATOM 667 N LYS A 231 8.416 -5.336 -0.375 1.00 0.00 N ATOM 668 CA LYS A 231 8.872 -5.882 0.905 1.00 0.00 C ATOM 669 C LYS A 231 10.379 -5.725 1.083 1.00 0.00 C ATOM 670 O LYS A 231 11.009 -6.520 1.778 1.00 0.00 O ATOM 671 CB LYS A 231 8.294 -7.299 1.080 1.00 0.00 C ATOM 672 CG LYS A 231 8.780 -8.309 0.029 1.00 0.00 C ATOM 673 CD LYS A 231 9.754 -9.307 0.651 1.00 0.00 C ATOM 674 CE LYS A 231 9.005 -10.436 1.367 1.00 0.00 C ATOM 675 NZ LYS A 231 9.927 -11.486 1.839 1.00 0.00 N ATOM 0 H LYS A 231 9.066 -5.499 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 231 8.480 -5.304 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.558 -7.667 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.206 -7.244 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 231 7.927 -8.840 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 231 9.266 -7.782 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 231 10.395 -9.726 -0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 231 10.405 -8.792 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 231 8.454 -10.028 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 231 8.271 -10.873 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 9.386 -12.233 2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 10.435 -11.893 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 10.612 -11.073 2.504 1.00 0.00 H new ATOM 689 N LYS A 232 10.924 -4.624 0.559 1.00 0.00 N ATOM 690 CA LYS A 232 12.314 -4.269 0.347 1.00 0.00 C ATOM 691 C LYS A 232 12.882 -5.060 -0.842 1.00 0.00 C ATOM 692 O LYS A 232 12.558 -6.238 -0.979 1.00 0.00 O ATOM 693 CB LYS A 232 13.143 -4.403 1.615 1.00 0.00 C ATOM 694 CG LYS A 232 14.506 -3.721 1.484 1.00 0.00 C ATOM 695 CD LYS A 232 15.290 -3.664 2.795 1.00 0.00 C ATOM 696 CE LYS A 232 15.933 -5.011 3.104 1.00 0.00 C ATOM 697 NZ LYS A 232 15.019 -5.976 3.737 1.00 0.00 N ATOM 0 H LYS A 232 10.316 -3.871 0.236 1.00 0.00 H new ATOM 0 HA LYS A 232 12.369 -3.211 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.598 -3.966 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 232 13.287 -5.459 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.098 -4.252 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.361 -2.707 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 232 16.060 -2.895 2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 232 14.624 -3.379 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 232 16.316 -5.441 2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 232 16.789 -4.852 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 15.526 -6.500 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 14.216 -5.468 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 14.668 -6.643 3.021 1.00 0.00 H new ATOM 711 N PRO A 233 13.643 -4.404 -1.738 1.00 0.00 N ATOM 712 CA PRO A 233 14.375 -5.000 -2.848 1.00 0.00 C ATOM 713 C PRO A 233 15.237 -6.222 -2.545 1.00 0.00 C ATOM 714 O PRO A 233 15.389 -6.673 -1.413 1.00 0.00 O ATOM 715 CB PRO A 233 15.294 -3.896 -3.364 1.00 0.00 C ATOM 716 CG PRO A 233 14.541 -2.627 -3.065 1.00 0.00 C ATOM 717 CD PRO A 233 13.724 -2.956 -1.830 1.00 0.00 C ATOM 0 HA PRO A 233 13.627 -5.373 -3.548 1.00 0.00 H new ATOM 0 HB2 PRO A 233 16.261 -3.914 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 233 15.487 -4.004 -4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.221 -1.795 -2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 233 13.902 -2.338 -3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.192 -2.540 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.728 -2.519 -1.901 1.00 0.00 H new ATOM 725 N GLU A 234 15.890 -6.657 -3.625 1.00 0.00 N ATOM 726 CA GLU A 234 16.777 -7.800 -3.761 1.00 0.00 C ATOM 727 C GLU A 234 17.876 -7.864 -2.702 1.00 0.00 C ATOM 728 O GLU A 234 18.277 -8.961 -2.317 1.00 0.00 O ATOM 729 CB GLU A 234 17.295 -7.774 -5.206 1.00 0.00 C ATOM 730 CG GLU A 234 18.125 -8.975 -5.669 1.00 0.00 C ATOM 731 CD GLU A 234 18.130 -9.045 -7.199 1.00 0.00 C ATOM 732 OE1 GLU A 234 18.569 -8.077 -7.857 1.00 0.00 O ATOM 733 OE2 GLU A 234 17.598 -10.045 -7.739 1.00 0.00 O ATOM 0 H GLU A 234 15.797 -6.163 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 234 16.234 -8.726 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 234 16.437 -7.678 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.899 -6.876 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 234 19.146 -8.888 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 234 17.712 -9.895 -5.255 1.00 0.00 H new ATOM 740 N ASP A 235 18.297 -6.718 -2.171 1.00 0.00 N ATOM 741 CA ASP A 235 18.560 -6.597 -0.731 1.00 0.00 C ATOM 742 C ASP A 235 18.398 -5.153 -0.224 1.00 0.00 C ATOM 743 O ASP A 235 18.451 -4.925 0.988 1.00 0.00 O ATOM 744 CB ASP A 235 19.943 -7.158 -0.347 1.00 0.00 C ATOM 745 CG ASP A 235 19.955 -7.758 1.061 1.00 0.00 C ATOM 746 OD1 ASP A 235 19.040 -8.537 1.442 1.00 0.00 O ATOM 747 OD2 ASP A 235 20.942 -7.588 1.809 1.00 0.00 O ATOM 0 H ASP A 235 18.463 -5.866 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 235 17.803 -7.204 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 235 20.236 -7.922 -1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 235 20.685 -6.362 -0.407 1.00 0.00 H new ATOM 752 N TRP A 236 18.153 -4.193 -1.136 1.00 0.00 N ATOM 753 CA TRP A 236 18.325 -2.744 -0.975 1.00 0.00 C ATOM 754 C TRP A 236 19.759 -2.379 -0.530 1.00 0.00 C ATOM 755 O TRP A 236 20.641 -3.235 -0.516 1.00 0.00 O ATOM 756 CB TRP A 236 17.162 -2.211 -0.132 1.00 0.00 C ATOM 757 CG TRP A 236 17.175 -0.814 0.399 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.677 -0.421 1.594 1.00 0.00 C ATOM 759 CD2 TRP A 236 16.626 0.385 -0.216 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.386 0.916 1.785 1.00 0.00 N ATOM 761 CE2 TRP A 236 16.684 1.442 0.729 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.077 0.687 -1.476 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.122 2.698 0.479 1.00 0.00 C ATOM 764 CZ3 TRP A 236 15.532 1.953 -1.754 1.00 0.00 C ATOM 765 CH2 TRP A 236 15.533 2.953 -0.768 1.00 0.00 C ATOM 0 H TRP A 236 17.807 -4.429 -2.066 1.00 0.00 H new ATOM 0 HA TRP A 236 18.257 -2.217 -1.927 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.258 -2.317 -0.732 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.056 -2.877 0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.217 -1.051 2.285 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.660 1.448 2.611 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.074 -0.070 -2.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.141 3.465 1.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.112 2.157 -2.728 1.00 0.00 H new ATOM 0 HH2 TRP A 236 15.082 3.914 -0.969 1.00 0.00 H new ATOM 776 N ASP A 237 20.015 -1.094 -0.277 1.00 0.00 N ATOM 777 CA ASP A 237 21.299 -0.524 0.112 1.00 0.00 C ATOM 778 C ASP A 237 21.007 0.563 1.144 1.00 0.00 C ATOM 779 O ASP A 237 20.519 1.642 0.797 1.00 0.00 O ATOM 780 CB ASP A 237 22.025 0.057 -1.110 1.00 0.00 C ATOM 781 CG ASP A 237 23.438 0.554 -0.775 1.00 0.00 C ATOM 782 OD1 ASP A 237 23.689 0.917 0.397 1.00 0.00 O ATOM 783 OD2 ASP A 237 24.254 0.592 -1.725 1.00 0.00 O ATOM 0 H ASP A 237 19.286 -0.384 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 237 21.953 -1.287 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.086 -0.704 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 237 21.440 0.882 -1.517 1.00 0.00 H new ATOM 788 N GLU A 238 21.202 0.252 2.427 1.00 0.00 N ATOM 789 CA GLU A 238 20.875 1.194 3.492 1.00 0.00 C ATOM 790 C GLU A 238 21.930 2.299 3.626 1.00 0.00 C ATOM 791 O GLU A 238 21.638 3.354 4.191 1.00 0.00 O ATOM 792 CB GLU A 238 20.671 0.433 4.819 1.00 0.00 C ATOM 793 CG GLU A 238 19.942 1.289 5.871 1.00 0.00 C ATOM 794 CD GLU A 238 19.799 0.672 7.263 1.00 0.00 C ATOM 795 OE1 GLU A 238 20.657 -0.109 7.725 1.00 0.00 O ATOM 796 OE2 GLU A 238 18.818 1.039 7.957 1.00 0.00 O ATOM 0 H GLU A 238 21.582 -0.638 2.749 1.00 0.00 H new ATOM 0 HA GLU A 238 19.942 1.694 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 238 20.098 -0.475 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 238 21.640 0.124 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 238 20.472 2.236 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 238 18.945 1.519 5.494 1.00 0.00 H new ATOM 803 N GLU A 239 23.134 2.106 3.089 1.00 0.00 N ATOM 804 CA GLU A 239 24.133 3.180 3.083 1.00 0.00 C ATOM 805 C GLU A 239 23.848 4.169 1.942 1.00 0.00 C ATOM 806 O GLU A 239 24.311 5.310 1.988 1.00 0.00 O ATOM 807 CB GLU A 239 25.575 2.633 3.028 1.00 0.00 C ATOM 808 CG GLU A 239 25.973 1.898 4.324 1.00 0.00 C ATOM 809 CD GLU A 239 27.487 1.952 4.605 1.00 0.00 C ATOM 810 OE1 GLU A 239 28.251 1.207 3.948 1.00 0.00 O ATOM 811 OE2 GLU A 239 27.881 2.729 5.508 1.00 0.00 O ATOM 0 H GLU A 239 23.440 1.233 2.659 1.00 0.00 H new ATOM 0 HA GLU A 239 24.050 3.720 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 239 25.671 1.951 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.267 3.457 2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 239 25.437 2.339 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 239 25.658 0.857 4.256 1.00 0.00 H new ATOM 818 N MET A 240 23.053 3.768 0.943 1.00 0.00 N ATOM 819 CA MET A 240 22.786 4.587 -0.232 1.00 0.00 C ATOM 820 C MET A 240 21.683 5.604 0.016 1.00 0.00 C ATOM 821 O MET A 240 21.800 6.749 -0.424 1.00 0.00 O ATOM 822 CB MET A 240 22.453 3.680 -1.420 1.00 0.00 C ATOM 823 CG MET A 240 22.145 4.478 -2.697 1.00 0.00 C ATOM 824 SD MET A 240 22.248 3.567 -4.269 1.00 0.00 S ATOM 825 CE MET A 240 24.027 3.211 -4.290 1.00 0.00 C ATOM 0 H MET A 240 22.579 2.865 0.932 1.00 0.00 H new ATOM 0 HA MET A 240 23.684 5.161 -0.461 1.00 0.00 H new ATOM 0 HB2 MET A 240 23.291 3.009 -1.607 1.00 0.00 H new ATOM 0 HB3 MET A 240 21.595 3.056 -1.169 1.00 0.00 H new ATOM 0 HG2 MET A 240 21.140 4.891 -2.607 1.00 0.00 H new ATOM 0 HG3 MET A 240 22.833 5.322 -2.746 1.00 0.00 H new ATOM 0 HE1 MET A 240 24.337 2.965 -5.306 1.00 0.00 H new ATOM 0 HE2 MET A 240 24.577 4.086 -3.944 1.00 0.00 H new ATOM 0 HE3 MET A 240 24.237 2.367 -3.633 1.00 0.00 H new ATOM 835 N ASP A 241 20.598 5.181 0.662 1.00 0.00 N ATOM 836 CA ASP A 241 19.380 5.986 0.786 1.00 0.00 C ATOM 837 C ASP A 241 18.862 5.989 2.231 1.00 0.00 C ATOM 838 O ASP A 241 17.900 6.688 2.566 1.00 0.00 O ATOM 839 CB ASP A 241 18.333 5.439 -0.204 1.00 0.00 C ATOM 840 CG ASP A 241 17.271 6.447 -0.675 1.00 0.00 C ATOM 841 OD1 ASP A 241 17.259 7.622 -0.237 1.00 0.00 O ATOM 842 OD2 ASP A 241 16.400 6.061 -1.487 1.00 0.00 O ATOM 0 H ASP A 241 20.537 4.269 1.116 1.00 0.00 H new ATOM 0 HA ASP A 241 19.594 7.026 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 241 18.855 5.053 -1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 241 17.825 4.595 0.262 1.00 0.00 H new ATOM 847 N GLY A 242 19.494 5.228 3.130 1.00 0.00 N ATOM 848 CA GLY A 242 18.945 4.951 4.445 1.00 0.00 C ATOM 849 C GLY A 242 17.958 3.798 4.352 1.00 0.00 C ATOM 850 O GLY A 242 17.943 3.061 3.372 1.00 0.00 O ATOM 0 H GLY A 242 20.399 4.791 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 242 19.747 4.702 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 242 18.448 5.838 4.837 1.00 0.00 H new ATOM 854 N GLU A 243 17.162 3.587 5.394 1.00 0.00 N ATOM 855 CA GLU A 243 16.180 2.519 5.449 1.00 0.00 C ATOM 856 C GLU A 243 15.194 2.636 4.280 1.00 0.00 C ATOM 857 O GLU A 243 14.821 3.733 3.853 1.00 0.00 O ATOM 858 CB GLU A 243 15.460 2.565 6.803 1.00 0.00 C ATOM 859 CG GLU A 243 14.313 1.538 6.840 1.00 0.00 C ATOM 860 CD GLU A 243 13.827 1.089 8.221 1.00 0.00 C ATOM 861 OE1 GLU A 243 14.652 0.993 9.161 1.00 0.00 O ATOM 862 OE2 GLU A 243 12.669 0.604 8.311 1.00 0.00 O ATOM 0 H GLU A 243 17.184 4.164 6.235 1.00 0.00 H new ATOM 0 HA GLU A 243 16.679 1.555 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 243 16.168 2.357 7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 243 15.065 3.566 6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 243 13.464 1.959 6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 243 14.632 0.653 6.289 1.00 0.00 H new ATOM 869 N TRP A 244 14.754 1.480 3.796 1.00 0.00 N ATOM 870 CA TRP A 244 13.802 1.342 2.718 1.00 0.00 C ATOM 871 C TRP A 244 12.415 1.854 3.109 1.00 0.00 C ATOM 872 O TRP A 244 11.844 1.469 4.140 1.00 0.00 O ATOM 873 CB TRP A 244 13.733 -0.132 2.333 1.00 0.00 C ATOM 874 CG TRP A 244 12.754 -0.419 1.251 1.00 0.00 C ATOM 875 CD1 TRP A 244 12.903 -0.081 -0.046 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.429 -1.009 1.366 1.00 0.00 C ATOM 877 NE1 TRP A 244 11.778 -0.444 -0.749 1.00 0.00 N ATOM 878 CE2 TRP A 244 10.824 -0.988 0.079 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.669 -1.538 2.429 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.525 -1.455 -0.136 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.364 -2.019 2.218 1.00 0.00 C ATOM 882 CH2 TRP A 244 8.791 -1.977 0.939 1.00 0.00 C ATOM 0 H TRP A 244 15.068 0.582 4.164 1.00 0.00 H new ATOM 0 HA TRP A 244 14.133 1.946 1.873 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.722 -0.462 2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.470 -0.717 3.214 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.773 0.401 -0.468 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.666 -0.325 -1.756 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.095 -1.575 3.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.089 -1.414 -1.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 8.800 -2.423 3.046 1.00 0.00 H new ATOM 0 HH2 TRP A 244 7.788 -2.345 0.782 1.00 0.00 H new ATOM 893 N GLU A 245 11.840 2.645 2.211 1.00 0.00 N ATOM 894 CA GLU A 245 10.431 3.005 2.173 1.00 0.00 C ATOM 895 C GLU A 245 9.752 2.271 1.010 1.00 0.00 C ATOM 896 O GLU A 245 10.232 2.378 -0.128 1.00 0.00 O ATOM 897 CB GLU A 245 10.250 4.505 1.902 1.00 0.00 C ATOM 898 CG GLU A 245 10.343 5.417 3.126 1.00 0.00 C ATOM 899 CD GLU A 245 9.792 6.817 2.819 1.00 0.00 C ATOM 900 OE1 GLU A 245 8.839 6.959 2.010 1.00 0.00 O ATOM 901 OE2 GLU A 245 10.264 7.809 3.415 1.00 0.00 O ATOM 0 H GLU A 245 12.372 3.073 1.453 1.00 0.00 H new ATOM 0 HA GLU A 245 9.998 2.738 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 245 11.004 4.818 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 245 9.278 4.656 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 245 9.786 4.977 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 245 11.382 5.495 3.447 1.00 0.00 H new ATOM 908 N PRO A 246 8.573 1.661 1.234 1.00 0.00 N ATOM 909 CA PRO A 246 7.662 1.301 0.155 1.00 0.00 C ATOM 910 C PRO A 246 7.137 2.539 -0.589 1.00 0.00 C ATOM 911 O PRO A 246 7.084 3.632 -0.006 1.00 0.00 O ATOM 912 CB PRO A 246 6.485 0.553 0.798 1.00 0.00 C ATOM 913 CG PRO A 246 6.792 0.504 2.297 1.00 0.00 C ATOM 914 CD PRO A 246 7.913 1.509 2.519 1.00 0.00 C ATOM 0 HA PRO A 246 8.186 0.687 -0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.543 1.068 0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.388 -0.451 0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 246 5.912 0.762 2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.097 -0.497 2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.519 2.462 2.871 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.611 1.154 3.277 1.00 0.00 H new ATOM 922 N PRO A 247 6.690 2.387 -1.846 1.00 0.00 N ATOM 923 CA PRO A 247 5.874 3.389 -2.516 1.00 0.00 C ATOM 924 C PRO A 247 4.436 3.320 -2.016 1.00 0.00 C ATOM 925 O PRO A 247 3.963 2.243 -1.650 1.00 0.00 O ATOM 926 CB PRO A 247 5.962 3.032 -3.996 1.00 0.00 C ATOM 927 CG PRO A 247 6.152 1.516 -4.010 1.00 0.00 C ATOM 928 CD PRO A 247 6.856 1.210 -2.687 1.00 0.00 C ATOM 0 HA PRO A 247 6.216 4.406 -2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 247 5.058 3.324 -4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.796 3.542 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.197 0.996 -4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.752 1.198 -4.863 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.423 0.330 -2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.912 0.996 -2.850 1.00 0.00 H new ATOM 936 N VAL A 248 3.708 4.438 -2.060 1.00 0.00 N ATOM 937 CA VAL A 248 2.304 4.485 -1.705 1.00 0.00 C ATOM 938 C VAL A 248 1.527 4.465 -3.019 1.00 0.00 C ATOM 939 O VAL A 248 1.850 5.213 -3.948 1.00 0.00 O ATOM 940 CB VAL A 248 1.984 5.708 -0.820 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.877 5.333 0.166 1.00 0.00 C ATOM 942 CG2 VAL A 248 3.147 6.222 0.036 1.00 0.00 C ATOM 0 H VAL A 248 4.088 5.340 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 248 2.015 3.629 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 248 1.713 6.494 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.644 6.192 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.015 5.035 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.211 4.505 0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.817 7.082 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.479 5.432 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.972 6.518 -0.612 1.00 0.00 H new ATOM 952 N ILE A 249 0.545 3.578 -3.115 1.00 0.00 N ATOM 953 CA ILE A 249 -0.262 3.301 -4.292 1.00 0.00 C ATOM 954 C ILE A 249 -1.719 3.611 -3.952 1.00 0.00 C ATOM 955 O ILE A 249 -2.070 3.739 -2.774 1.00 0.00 O ATOM 956 CB ILE A 249 -0.037 1.845 -4.768 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.595 0.806 -3.769 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.466 1.600 -5.016 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.557 -0.620 -4.312 1.00 0.00 C ATOM 0 H ILE A 249 0.275 2.997 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 249 0.031 3.934 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.587 1.716 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -0.019 0.853 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.623 1.067 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 249 1.617 0.574 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 249 1.825 2.288 -5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 249 2.019 1.765 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -0.961 -1.304 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -1.155 -0.679 -5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.473 -0.896 -4.537 1.00 0.00 H new ATOM 971 N GLN A 250 -2.575 3.746 -4.964 1.00 0.00 N ATOM 972 CA GLN A 250 -4.002 3.929 -4.737 1.00 0.00 C ATOM 973 C GLN A 250 -4.553 2.598 -4.213 1.00 0.00 C ATOM 974 O GLN A 250 -4.245 1.540 -4.761 1.00 0.00 O ATOM 975 CB GLN A 250 -4.673 4.396 -6.054 1.00 0.00 C ATOM 976 CG GLN A 250 -5.920 5.288 -5.885 1.00 0.00 C ATOM 977 CD GLN A 250 -7.239 4.552 -5.678 1.00 0.00 C ATOM 978 OE1 GLN A 250 -7.986 4.284 -6.617 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.581 4.238 -4.442 1.00 0.00 N ATOM 0 H GLN A 250 -2.303 3.732 -5.947 1.00 0.00 H new ATOM 0 HA GLN A 250 -4.211 4.701 -3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -3.936 4.941 -6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.954 3.515 -6.630 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -5.758 5.950 -5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -6.013 5.921 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.957 4.463 -3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.469 3.770 -4.262 1.00 0.00 H new ATOM 988 N ASN A 251 -5.368 2.653 -3.154 1.00 0.00 N ATOM 989 CA ASN A 251 -6.116 1.503 -2.645 1.00 0.00 C ATOM 990 C ASN A 251 -6.822 0.786 -3.797 1.00 0.00 C ATOM 991 O ASN A 251 -7.673 1.417 -4.434 1.00 0.00 O ATOM 992 CB ASN A 251 -7.204 1.920 -1.635 1.00 0.00 C ATOM 993 CG ASN A 251 -7.353 0.894 -0.524 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.529 -0.297 -0.770 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.278 1.313 0.720 1.00 0.00 N ATOM 0 H ASN A 251 -5.527 3.508 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.392 0.854 -2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.951 2.889 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -8.156 2.039 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -7.366 0.648 1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -7.132 2.303 0.917 1.00 0.00 H new ATOM 1002 N PRO A 252 -6.558 -0.500 -4.059 1.00 0.00 N ATOM 1003 CA PRO A 252 -7.184 -1.181 -5.179 1.00 0.00 C ATOM 1004 C PRO A 252 -8.705 -1.223 -5.017 1.00 0.00 C ATOM 1005 O PRO A 252 -9.415 -1.327 -6.016 1.00 0.00 O ATOM 1006 CB PRO A 252 -6.537 -2.566 -5.226 1.00 0.00 C ATOM 1007 CG PRO A 252 -6.024 -2.786 -3.809 1.00 0.00 C ATOM 1008 CD PRO A 252 -5.642 -1.379 -3.363 1.00 0.00 C ATOM 0 HA PRO A 252 -7.028 -0.662 -6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -7.257 -3.333 -5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -5.726 -2.602 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -6.789 -3.220 -3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -5.169 -3.462 -3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -5.735 -1.269 -2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -4.607 -1.152 -3.619 1.00 0.00 H new ATOM 1016 N GLU A 253 -9.222 -1.098 -3.784 1.00 0.00 N ATOM 1017 CA GLU A 253 -10.631 -0.855 -3.525 1.00 0.00 C ATOM 1018 C GLU A 253 -10.810 0.184 -2.429 1.00 0.00 C ATOM 1019 O GLU A 253 -11.267 -0.102 -1.319 1.00 0.00 O ATOM 1020 CB GLU A 253 -11.393 -2.152 -3.253 1.00 0.00 C ATOM 1021 CG GLU A 253 -11.641 -2.846 -4.583 1.00 0.00 C ATOM 1022 CD GLU A 253 -12.573 -4.043 -4.424 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -13.810 -3.881 -4.453 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -12.061 -5.175 -4.225 1.00 0.00 O ATOM 0 H GLU A 253 -8.658 -1.165 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 253 -11.075 -0.438 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -10.819 -2.798 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -12.338 -1.940 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -12.074 -2.138 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -10.692 -3.176 -5.005 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.508 1.428 -2.789 1.00 0.00 N ATOM 1032 CA TYR A 254 -11.090 2.579 -2.104 1.00 0.00 C ATOM 1033 C TYR A 254 -12.558 2.704 -2.518 1.00 0.00 C ATOM 1034 O TYR A 254 -12.860 3.193 -3.611 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.329 3.897 -2.337 1.00 0.00 C ATOM 1036 CG TYR A 254 -10.858 5.064 -1.515 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -11.136 4.897 -0.143 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -11.054 6.329 -2.103 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -11.638 5.961 0.620 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -11.521 7.410 -1.330 1.00 0.00 C ATOM 1041 CZ TYR A 254 -11.821 7.231 0.040 1.00 0.00 C ATOM 1042 OH TYR A 254 -12.292 8.251 0.809 1.00 0.00 O ATOM 0 H TYR A 254 -9.867 1.665 -3.547 1.00 0.00 H new ATOM 0 HA TYR A 254 -11.010 2.399 -1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.276 3.745 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -10.383 4.155 -3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -10.961 3.940 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -10.845 6.471 -3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -11.886 5.805 1.660 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -11.651 8.380 -1.786 1.00 0.00 H new ATOM 0 HH TYR A 254 -13.272 8.258 0.779 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.475 2.240 -1.665 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.915 2.303 -1.926 1.00 0.00 C ATOM 1054 C LYS A 255 -15.433 3.743 -1.923 1.00 0.00 C ATOM 1055 O LYS A 255 -16.526 3.987 -2.426 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.680 1.425 -0.927 1.00 0.00 C ATOM 1057 CG LYS A 255 -15.390 -0.069 -1.132 1.00 0.00 C ATOM 1058 CD LYS A 255 -16.094 -0.884 -0.044 1.00 0.00 C ATOM 1059 CE LYS A 255 -15.141 -1.302 1.079 1.00 0.00 C ATOM 1060 NZ LYS A 255 -14.255 -2.421 0.692 1.00 0.00 N ATOM 0 H LYS A 255 -13.239 1.809 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 255 -15.091 1.911 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.408 1.711 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.750 1.604 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -15.734 -0.385 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -14.316 -0.249 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -16.910 -0.296 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -16.538 -1.774 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -14.532 -0.446 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -15.723 -1.591 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -13.632 -2.662 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -14.831 -3.249 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -13.678 -2.140 -0.126 1.00 0.00 H new ATOM 1074 N GLY A 256 -14.653 4.708 -1.436 1.00 0.00 N ATOM 1075 CA GLY A 256 -14.926 6.122 -1.607 1.00 0.00 C ATOM 1076 C GLY A 256 -15.777 6.668 -0.474 1.00 0.00 C ATOM 1077 O GLY A 256 -15.360 7.602 0.204 1.00 0.00 O ATOM 0 H GLY A 256 -13.803 4.519 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -13.986 6.672 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.437 6.282 -2.556 1.00 0.00 H new ATOM 1081 N GLU A 257 -16.972 6.118 -0.273 1.00 0.00 N ATOM 1082 CA GLU A 257 -17.858 6.428 0.831 1.00 0.00 C ATOM 1083 C GLU A 257 -18.674 5.171 1.155 1.00 0.00 C ATOM 1084 O GLU A 257 -18.858 4.307 0.291 1.00 0.00 O ATOM 1085 CB GLU A 257 -18.742 7.574 0.343 1.00 0.00 C ATOM 1086 CG GLU A 257 -19.890 7.977 1.245 1.00 0.00 C ATOM 1087 CD GLU A 257 -19.493 8.408 2.667 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -18.885 7.626 3.434 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -19.861 9.535 3.067 1.00 0.00 O ATOM 0 H GLU A 257 -17.359 5.416 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 257 -17.336 6.724 1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -18.110 8.448 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -19.153 7.298 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -20.430 8.798 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -20.584 7.139 1.318 1.00 0.00 H new ATOM 1096 N TRP A 258 -19.181 5.073 2.381 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.166 4.100 2.830 1.00 0.00 C ATOM 1098 C TRP A 258 -21.566 4.686 2.783 1.00 0.00 C ATOM 1099 O TRP A 258 -21.762 5.890 2.977 1.00 0.00 O ATOM 1100 CB TRP A 258 -19.846 3.739 4.273 1.00 0.00 C ATOM 1101 CG TRP A 258 -20.908 2.990 5.006 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.024 1.653 5.134 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -22.079 3.564 5.652 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.187 1.381 5.823 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -22.920 2.510 6.088 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -22.550 4.876 5.826 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.179 2.739 6.657 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -23.813 5.120 6.381 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -24.623 4.061 6.821 1.00 0.00 C ATOM 0 H TRP A 258 -18.898 5.707 3.128 1.00 0.00 H new ATOM 0 HA TRP A 258 -20.129 3.227 2.179 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -18.934 3.143 4.285 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -19.633 4.658 4.819 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.325 0.920 4.760 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -22.471 0.443 6.105 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -21.930 5.708 5.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -24.800 1.911 6.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -24.168 6.136 6.472 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -25.579 4.261 7.282 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.550 3.805 2.590 1.00 0.00 N ATOM 1121 CA LYS A 259 -23.953 4.154 2.577 1.00 0.00 C ATOM 1122 C LYS A 259 -24.749 2.968 3.104 1.00 0.00 C ATOM 1123 O LYS A 259 -24.336 1.825 2.853 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.417 4.510 1.150 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.362 5.251 0.315 1.00 0.00 C ATOM 1126 CD LYS A 259 -23.885 5.823 -0.991 1.00 0.00 C ATOM 1127 CE LYS A 259 -24.752 7.054 -0.721 1.00 0.00 C ATOM 1128 NZ LYS A 259 -24.416 8.145 -1.648 1.00 0.00 N ATOM 0 H LYS A 259 -22.379 2.811 2.436 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.115 5.028 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -24.697 3.593 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.313 5.127 1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -22.947 6.063 0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.543 4.566 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -23.050 6.092 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -24.467 5.068 -1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -25.805 6.793 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -24.608 7.387 0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -25.017 8.970 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -23.417 8.407 -1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -24.577 7.831 -2.626 1.00 0.00 H new ATOM 1142 N PRO A 260 -25.891 3.211 3.766 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.778 2.155 4.188 1.00 0.00 C ATOM 1144 C PRO A 260 -27.569 1.684 2.968 1.00 0.00 C ATOM 1145 O PRO A 260 -28.605 2.267 2.642 1.00 0.00 O ATOM 1146 CB PRO A 260 -27.650 2.764 5.283 1.00 0.00 C ATOM 1147 CG PRO A 260 -27.726 4.248 4.928 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.476 4.509 4.079 1.00 0.00 C ATOM 0 HA PRO A 260 -26.272 1.276 4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.640 2.309 5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.212 2.614 6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.636 4.477 4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -27.734 4.870 5.823 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -26.736 5.045 3.166 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -25.765 5.131 4.622 1.00 0.00 H new ATOM 1156 N ARG A 261 -27.061 0.645 2.306 1.00 0.00 N ATOM 1157 CA ARG A 261 -27.754 -0.123 1.273 1.00 0.00 C ATOM 1158 C ARG A 261 -28.298 0.806 0.192 1.00 0.00 C ATOM 1159 O ARG A 261 -27.461 1.359 -0.562 1.00 0.00 O ATOM 1160 CB ARG A 261 -28.803 -1.024 1.966 1.00 0.00 C ATOM 1161 CG ARG A 261 -29.413 -2.091 1.047 1.00 0.00 C ATOM 1162 CD ARG A 261 -30.597 -2.786 1.732 1.00 0.00 C ATOM 1163 NE ARG A 261 -31.402 -3.547 0.762 1.00 0.00 N ATOM 1164 CZ ARG A 261 -32.434 -4.349 1.047 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -32.869 -4.507 2.292 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -33.041 -4.987 0.054 1.00 0.00 N ATOM 0 H ARG A 261 -26.117 0.302 2.482 1.00 0.00 H new ATOM 0 HA ARG A 261 -27.078 -0.788 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -28.337 -1.517 2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -29.603 -0.397 2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -29.745 -1.630 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -28.654 -2.829 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -30.229 -3.457 2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -31.223 -2.042 2.224 1.00 0.00 H new ATOM 0 HE ARG A 261 -31.148 -3.454 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -32.414 -4.011 3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -33.658 -5.125 2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -32.719 -4.861 -0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -33.830 -5.603 0.250 1.00 0.00 H new