USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 444 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 198 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 SER OG : rot 42:sc= 0.202 USER MOD Single : A 215 LYS NZ :NH3+ 153:sc= 0.0199 (180deg=0) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ -148:sc= -0.0365 (180deg=-0.986) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 250 GLN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 251 ASN : amide:sc= 0.449 K(o=0.45,f=-10!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 173:sc= 0.923 (180deg=0.889) USER MOD Single : A 259 LYS NZ :NH3+ -167:sc= 1.18 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -23.330 17.647 7.873 1.00 0.00 N ATOM 124 CA ASP A 195 -24.221 17.691 6.727 1.00 0.00 C ATOM 125 C ASP A 195 -24.377 19.121 6.217 1.00 0.00 C ATOM 126 O ASP A 195 -23.711 19.496 5.251 1.00 0.00 O ATOM 127 CB ASP A 195 -25.528 16.964 7.042 1.00 0.00 C ATOM 128 CG ASP A 195 -26.596 17.175 5.974 1.00 0.00 C ATOM 129 OD1 ASP A 195 -26.254 17.359 4.783 1.00 0.00 O ATOM 130 OD2 ASP A 195 -27.776 17.120 6.382 1.00 0.00 O ATOM 0 HA ASP A 195 -23.786 17.145 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -25.329 15.897 7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -25.908 17.311 8.003 1.00 0.00 H new ATOM 135 N ALA A 196 -25.127 19.957 6.928 1.00 0.00 N ATOM 136 CA ALA A 196 -25.556 21.276 6.451 1.00 0.00 C ATOM 137 C ALA A 196 -25.122 22.464 7.311 1.00 0.00 C ATOM 138 O ALA A 196 -25.390 23.602 6.933 1.00 0.00 O ATOM 139 CB ALA A 196 -27.078 21.260 6.291 1.00 0.00 C ATOM 0 H ALA A 196 -25.461 19.738 7.866 1.00 0.00 H new ATOM 0 HA ALA A 196 -25.048 21.438 5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -27.417 22.233 5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -27.360 20.493 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -27.543 21.042 7.253 1.00 0.00 H new ATOM 145 N ALA A 197 -24.337 22.214 8.356 1.00 0.00 N ATOM 146 CA ALA A 197 -24.132 23.054 9.540 1.00 0.00 C ATOM 147 C ALA A 197 -25.391 23.036 10.404 1.00 0.00 C ATOM 148 O ALA A 197 -26.464 23.484 10.003 1.00 0.00 O ATOM 149 CB ALA A 197 -23.665 24.483 9.240 1.00 0.00 C ATOM 0 H ALA A 197 -23.786 21.357 8.404 1.00 0.00 H new ATOM 0 HA ALA A 197 -23.300 22.616 10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -23.540 25.029 10.175 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -22.714 24.451 8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -24.409 24.987 8.622 1.00 0.00 H new ATOM 155 N LYS A 198 -25.249 22.464 11.594 1.00 0.00 N ATOM 156 CA LYS A 198 -26.341 22.061 12.467 1.00 0.00 C ATOM 157 C LYS A 198 -27.026 23.249 13.172 1.00 0.00 C ATOM 158 O LYS A 198 -26.351 23.967 13.915 1.00 0.00 O ATOM 159 CB LYS A 198 -25.790 21.041 13.463 1.00 0.00 C ATOM 160 CG LYS A 198 -24.605 21.541 14.309 1.00 0.00 C ATOM 161 CD LYS A 198 -23.334 20.693 14.292 1.00 0.00 C ATOM 162 CE LYS A 198 -22.254 21.160 13.315 1.00 0.00 C ATOM 163 NZ LYS A 198 -21.390 22.243 13.827 1.00 0.00 N ATOM 0 H LYS A 198 -24.332 22.261 11.992 1.00 0.00 H new ATOM 0 HA LYS A 198 -27.130 21.611 11.865 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -26.594 20.737 14.133 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -25.478 20.151 12.916 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -24.347 22.545 13.971 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -24.940 21.629 15.343 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -22.912 20.680 15.297 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -23.605 19.666 14.046 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -21.628 20.308 13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -22.735 21.499 12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -20.688 22.498 13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -21.973 23.074 14.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -20.900 21.920 14.686 1.00 0.00 H new ATOM 177 N PRO A 199 -28.340 23.455 13.010 1.00 0.00 N ATOM 178 CA PRO A 199 -29.078 24.557 13.618 1.00 0.00 C ATOM 179 C PRO A 199 -29.350 24.316 15.120 1.00 0.00 C ATOM 180 O PRO A 199 -30.496 24.090 15.498 1.00 0.00 O ATOM 181 CB PRO A 199 -30.362 24.649 12.775 1.00 0.00 C ATOM 182 CG PRO A 199 -30.621 23.196 12.379 1.00 0.00 C ATOM 183 CD PRO A 199 -29.211 22.668 12.154 1.00 0.00 C ATOM 0 HA PRO A 199 -28.522 25.495 13.610 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -31.191 25.065 13.347 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -30.226 25.287 11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -31.141 22.647 13.164 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -31.232 23.122 11.479 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -29.148 21.609 12.404 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -28.921 22.767 11.108 1.00 0.00 H new ATOM 191 N GLU A 200 -28.318 24.434 15.968 1.00 0.00 N ATOM 192 CA GLU A 200 -28.257 24.404 17.452 1.00 0.00 C ATOM 193 C GLU A 200 -26.916 23.823 17.938 1.00 0.00 C ATOM 194 O GLU A 200 -26.680 23.727 19.141 1.00 0.00 O ATOM 195 CB GLU A 200 -29.497 23.746 18.113 1.00 0.00 C ATOM 196 CG GLU A 200 -29.461 23.518 19.637 1.00 0.00 C ATOM 197 CD GLU A 200 -30.851 23.415 20.272 1.00 0.00 C ATOM 198 OE1 GLU A 200 -31.484 24.488 20.412 1.00 0.00 O ATOM 199 OE2 GLU A 200 -31.247 22.300 20.698 1.00 0.00 O ATOM 0 H GLU A 200 -27.381 24.571 15.588 1.00 0.00 H new ATOM 0 HA GLU A 200 -28.297 25.439 17.793 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -30.365 24.365 17.887 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -29.660 22.781 17.633 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -28.906 22.604 19.847 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -28.916 24.337 20.106 1.00 0.00 H new ATOM 206 N ASP A 201 -25.996 23.476 17.030 1.00 0.00 N ATOM 207 CA ASP A 201 -24.638 23.006 17.358 1.00 0.00 C ATOM 208 C ASP A 201 -24.646 21.533 17.809 1.00 0.00 C ATOM 209 O ASP A 201 -23.608 20.988 18.175 1.00 0.00 O ATOM 210 CB ASP A 201 -23.874 23.970 18.308 1.00 0.00 C ATOM 211 CG ASP A 201 -22.661 24.605 17.621 1.00 0.00 C ATOM 212 OD1 ASP A 201 -22.848 25.255 16.568 1.00 0.00 O ATOM 213 OD2 ASP A 201 -21.512 24.449 18.098 1.00 0.00 O ATOM 0 H ASP A 201 -26.175 23.514 16.026 1.00 0.00 H new ATOM 0 HA ASP A 201 -24.052 23.029 16.439 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -24.550 24.754 18.650 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -23.546 23.424 19.192 1.00 0.00 H new ATOM 218 N TRP A 202 -25.800 20.856 17.710 1.00 0.00 N ATOM 219 CA TRP A 202 -26.029 19.473 18.111 1.00 0.00 C ATOM 220 C TRP A 202 -25.157 18.408 17.419 1.00 0.00 C ATOM 221 O TRP A 202 -24.693 17.488 18.085 1.00 0.00 O ATOM 222 CB TRP A 202 -27.533 19.149 18.059 1.00 0.00 C ATOM 223 CG TRP A 202 -28.368 19.468 16.850 1.00 0.00 C ATOM 224 CD1 TRP A 202 -28.106 19.162 15.559 1.00 0.00 C ATOM 225 CD2 TRP A 202 -29.711 20.045 16.831 1.00 0.00 C ATOM 226 NE1 TRP A 202 -29.147 19.580 14.760 1.00 0.00 N ATOM 227 CE2 TRP A 202 -30.190 20.089 15.492 1.00 0.00 C ATOM 228 CE3 TRP A 202 -30.580 20.520 17.828 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -31.460 20.585 15.157 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -31.857 21.029 17.513 1.00 0.00 C ATOM 231 CH2 TRP A 202 -32.299 21.069 16.177 1.00 0.00 C ATOM 0 H TRP A 202 -26.640 21.289 17.326 1.00 0.00 H new ATOM 0 HA TRP A 202 -25.683 19.409 19.143 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -27.632 18.078 18.238 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -27.995 19.657 18.905 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -27.214 18.664 15.207 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -29.143 19.518 13.742 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -30.262 20.495 18.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -31.789 20.595 14.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -32.500 21.390 18.302 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -33.274 21.468 15.937 1.00 0.00 H new ATOM 242 N ASP A 203 -24.980 18.476 16.099 1.00 0.00 N ATOM 243 CA ASP A 203 -24.497 17.405 15.215 1.00 0.00 C ATOM 244 C ASP A 203 -25.199 16.084 15.524 1.00 0.00 C ATOM 245 O ASP A 203 -24.672 15.210 16.216 1.00 0.00 O ATOM 246 CB ASP A 203 -22.960 17.305 15.188 1.00 0.00 C ATOM 247 CG ASP A 203 -22.484 17.046 13.759 1.00 0.00 C ATOM 248 OD1 ASP A 203 -22.876 16.008 13.174 1.00 0.00 O ATOM 249 OD2 ASP A 203 -21.815 17.957 13.213 1.00 0.00 O ATOM 0 H ASP A 203 -25.182 19.332 15.583 1.00 0.00 H new ATOM 0 HA ASP A 203 -24.770 17.667 14.193 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -22.520 18.227 15.566 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -22.627 16.500 15.844 1.00 0.00 H new ATOM 254 N GLU A 204 -26.465 15.990 15.101 1.00 0.00 N ATOM 255 CA GLU A 204 -27.398 14.893 15.378 1.00 0.00 C ATOM 256 C GLU A 204 -27.647 14.706 16.884 1.00 0.00 C ATOM 257 O GLU A 204 -28.368 13.798 17.286 1.00 0.00 O ATOM 258 CB GLU A 204 -26.894 13.630 14.656 1.00 0.00 C ATOM 259 CG GLU A 204 -27.437 13.447 13.231 1.00 0.00 C ATOM 260 CD GLU A 204 -28.558 12.405 13.042 1.00 0.00 C ATOM 261 OE1 GLU A 204 -28.476 11.285 13.593 1.00 0.00 O ATOM 262 OE2 GLU A 204 -29.420 12.629 12.161 1.00 0.00 O ATOM 0 H GLU A 204 -26.889 16.717 14.525 1.00 0.00 H new ATOM 0 HA GLU A 204 -28.385 15.132 14.982 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -25.805 13.662 14.614 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -27.165 12.756 15.249 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -27.807 14.411 12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -26.605 13.172 12.583 1.00 0.00 H new ATOM 269 N ARG A 205 -27.119 15.604 17.727 1.00 0.00 N ATOM 270 CA ARG A 205 -27.150 15.581 19.189 1.00 0.00 C ATOM 271 C ARG A 205 -26.447 14.346 19.739 1.00 0.00 C ATOM 272 O ARG A 205 -26.756 13.870 20.823 1.00 0.00 O ATOM 273 CB ARG A 205 -28.592 15.766 19.651 1.00 0.00 C ATOM 274 CG ARG A 205 -28.734 16.620 20.911 1.00 0.00 C ATOM 275 CD ARG A 205 -30.204 17.023 20.993 1.00 0.00 C ATOM 276 NE ARG A 205 -30.422 18.086 21.987 1.00 0.00 N ATOM 277 CZ ARG A 205 -30.901 19.311 21.746 1.00 0.00 C ATOM 278 NH1 ARG A 205 -31.616 19.579 20.662 1.00 0.00 N ATOM 279 NH2 ARG A 205 -30.643 20.312 22.576 1.00 0.00 N ATOM 0 H ARG A 205 -26.624 16.424 17.375 1.00 0.00 H new ATOM 0 HA ARG A 205 -26.579 16.412 19.603 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -29.165 16.226 18.846 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -29.032 14.786 19.836 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -28.435 16.059 21.796 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -28.092 17.499 20.859 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -30.543 17.364 20.015 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -30.806 16.152 21.253 1.00 0.00 H new ATOM 0 HE ARG A 205 -30.184 17.867 22.954 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -31.813 18.841 19.986 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -31.969 20.523 20.504 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -30.074 20.151 23.407 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -31.013 21.243 22.383 1.00 0.00 H new ATOM 293 N ALA A 206 -25.475 13.880 18.962 1.00 0.00 N ATOM 294 CA ALA A 206 -24.778 12.605 19.002 1.00 0.00 C ATOM 295 C ALA A 206 -25.705 11.444 18.637 1.00 0.00 C ATOM 296 O ALA A 206 -26.898 11.443 18.943 1.00 0.00 O ATOM 297 CB ALA A 206 -24.052 12.387 20.336 1.00 0.00 C ATOM 0 H ALA A 206 -25.117 14.457 18.201 1.00 0.00 H new ATOM 0 HA ALA A 206 -24.002 12.635 18.237 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -23.545 11.422 20.321 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -23.319 13.180 20.485 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -24.776 12.404 21.151 1.00 0.00 H new ATOM 408 N SER A 214 -24.684 2.950 9.495 1.00 0.00 N ATOM 409 CA SER A 214 -24.050 3.858 8.581 1.00 0.00 C ATOM 410 C SER A 214 -22.542 3.701 8.735 1.00 0.00 C ATOM 411 O SER A 214 -21.918 4.385 9.545 1.00 0.00 O ATOM 412 CB SER A 214 -24.595 5.260 8.816 1.00 0.00 C ATOM 413 OG SER A 214 -24.404 5.770 10.125 1.00 0.00 O ATOM 0 HA SER A 214 -24.273 3.641 7.536 1.00 0.00 H new ATOM 0 HB2 SER A 214 -24.123 5.940 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 214 -25.663 5.259 8.596 1.00 0.00 H new ATOM 0 HG SER A 214 -23.503 5.542 10.437 1.00 0.00 H new ATOM 419 N LYS A 215 -21.977 2.790 7.937 1.00 0.00 N ATOM 420 CA LYS A 215 -20.551 2.499 7.818 1.00 0.00 C ATOM 421 C LYS A 215 -19.957 1.846 9.074 1.00 0.00 C ATOM 422 O LYS A 215 -19.877 2.494 10.123 1.00 0.00 O ATOM 423 CB LYS A 215 -19.767 3.748 7.378 1.00 0.00 C ATOM 424 CG LYS A 215 -19.685 3.849 5.857 1.00 0.00 C ATOM 425 CD LYS A 215 -18.862 5.056 5.376 1.00 0.00 C ATOM 426 CE LYS A 215 -18.819 5.130 3.842 1.00 0.00 C ATOM 427 NZ LYS A 215 -17.982 6.242 3.343 1.00 0.00 N ATOM 0 H LYS A 215 -22.539 2.203 7.321 1.00 0.00 H new ATOM 0 HA LYS A 215 -20.448 1.750 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -20.248 4.641 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -18.761 3.714 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -19.243 2.935 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -20.693 3.918 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -19.294 5.974 5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -17.847 4.985 5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -18.436 4.189 3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -19.833 5.246 3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -17.613 6.003 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -18.555 7.107 3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -17.188 6.399 3.996 1.00 0.00 H new ATOM 441 N PRO A 216 -19.470 0.591 8.976 1.00 0.00 N ATOM 442 CA PRO A 216 -18.564 0.060 9.974 1.00 0.00 C ATOM 443 C PRO A 216 -17.274 0.872 9.990 1.00 0.00 C ATOM 444 O PRO A 216 -16.922 1.580 9.040 1.00 0.00 O ATOM 445 CB PRO A 216 -18.298 -1.408 9.630 1.00 0.00 C ATOM 446 CG PRO A 216 -18.796 -1.581 8.201 1.00 0.00 C ATOM 447 CD PRO A 216 -19.650 -0.350 7.884 1.00 0.00 C ATOM 0 HA PRO A 216 -19.000 0.126 10.971 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -17.237 -1.645 9.708 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -18.824 -2.074 10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -17.960 -1.662 7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -19.382 -2.495 8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -19.345 0.096 6.937 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -20.700 -0.626 7.783 1.00 0.00 H new ATOM 455 N GLU A 217 -16.499 0.700 11.052 1.00 0.00 N ATOM 456 CA GLU A 217 -15.314 1.515 11.281 1.00 0.00 C ATOM 457 C GLU A 217 -14.120 1.029 10.462 1.00 0.00 C ATOM 458 O GLU A 217 -13.111 1.720 10.349 1.00 0.00 O ATOM 459 CB GLU A 217 -15.024 1.520 12.784 1.00 0.00 C ATOM 460 CG GLU A 217 -14.286 2.798 13.200 1.00 0.00 C ATOM 461 CD GLU A 217 -14.722 3.265 14.584 1.00 0.00 C ATOM 462 OE1 GLU A 217 -15.932 3.503 14.774 1.00 0.00 O ATOM 463 OE2 GLU A 217 -13.868 3.414 15.487 1.00 0.00 O ATOM 0 H GLU A 217 -16.671 -0.001 11.773 1.00 0.00 H new ATOM 0 HA GLU A 217 -15.498 2.535 10.945 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -15.959 1.440 13.338 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -14.423 0.648 13.044 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -13.211 2.617 13.197 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -14.479 3.585 12.471 1.00 0.00 H new ATOM 470 N ASP A 218 -14.305 -0.102 9.788 1.00 0.00 N ATOM 471 CA ASP A 218 -13.394 -0.720 8.834 1.00 0.00 C ATOM 472 C ASP A 218 -13.971 -0.615 7.419 1.00 0.00 C ATOM 473 O ASP A 218 -13.603 -1.374 6.514 1.00 0.00 O ATOM 474 CB ASP A 218 -13.065 -2.151 9.273 1.00 0.00 C ATOM 475 CG ASP A 218 -12.091 -2.132 10.446 1.00 0.00 C ATOM 476 OD1 ASP A 218 -10.925 -1.731 10.229 1.00 0.00 O ATOM 477 OD2 ASP A 218 -12.482 -2.532 11.566 1.00 0.00 O ATOM 0 H ASP A 218 -15.158 -0.649 9.904 1.00 0.00 H new ATOM 0 HA ASP A 218 -12.443 -0.188 8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -13.980 -2.671 9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -12.631 -2.704 8.440 1.00 0.00 H new ATOM 482 N TRP A 219 -14.924 0.304 7.216 1.00 0.00 N ATOM 483 CA TRP A 219 -15.319 0.743 5.890 1.00 0.00 C ATOM 484 C TRP A 219 -14.533 1.970 5.460 1.00 0.00 C ATOM 485 O TRP A 219 -14.135 2.071 4.295 1.00 0.00 O ATOM 486 CB TRP A 219 -16.805 1.069 5.828 1.00 0.00 C ATOM 487 CG TRP A 219 -17.255 1.142 4.410 1.00 0.00 C ATOM 488 CD1 TRP A 219 -17.060 2.174 3.560 1.00 0.00 C ATOM 489 CD2 TRP A 219 -17.756 0.051 3.601 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.432 1.793 2.288 1.00 0.00 N ATOM 491 CE2 TRP A 219 -17.836 0.481 2.252 1.00 0.00 C ATOM 492 CE3 TRP A 219 -18.086 -1.284 3.871 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -18.220 -0.378 1.218 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -18.475 -2.160 2.842 1.00 0.00 C ATOM 495 CH2 TRP A 219 -18.528 -1.714 1.515 1.00 0.00 C ATOM 0 H TRP A 219 -15.437 0.758 7.972 1.00 0.00 H new ATOM 0 HA TRP A 219 -15.105 -0.083 5.212 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -17.375 0.307 6.360 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -16.998 2.018 6.328 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -16.674 3.145 3.834 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.410 2.409 1.475 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -18.041 -1.646 4.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -18.279 -0.017 0.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -18.734 -3.182 3.076 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -18.805 -2.396 0.724 1.00 0.00 H new ATOM 506 N ASP A 220 -14.350 2.915 6.386 1.00 0.00 N ATOM 507 CA ASP A 220 -13.669 4.198 6.202 1.00 0.00 C ATOM 508 C ASP A 220 -12.157 3.903 6.114 1.00 0.00 C ATOM 509 O ASP A 220 -11.362 4.268 6.985 1.00 0.00 O ATOM 510 CB ASP A 220 -14.090 5.160 7.346 1.00 0.00 C ATOM 511 CG ASP A 220 -14.721 6.482 6.879 1.00 0.00 C ATOM 512 OD1 ASP A 220 -15.754 6.444 6.170 1.00 0.00 O ATOM 513 OD2 ASP A 220 -14.273 7.558 7.342 1.00 0.00 O ATOM 0 H ASP A 220 -14.693 2.798 7.339 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.948 4.710 5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -14.799 4.644 7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -13.213 5.387 7.952 1.00 0.00 H new ATOM 518 N LYS A 221 -11.778 3.107 5.110 1.00 0.00 N ATOM 519 CA LYS A 221 -10.431 2.695 4.759 1.00 0.00 C ATOM 520 C LYS A 221 -9.744 3.888 4.110 1.00 0.00 C ATOM 521 O LYS A 221 -10.433 4.670 3.445 1.00 0.00 O ATOM 522 CB LYS A 221 -10.507 1.526 3.761 1.00 0.00 C ATOM 523 CG LYS A 221 -11.030 0.210 4.371 1.00 0.00 C ATOM 524 CD LYS A 221 -9.935 -0.557 5.127 1.00 0.00 C ATOM 525 CE LYS A 221 -10.424 -1.947 5.559 1.00 0.00 C ATOM 526 NZ LYS A 221 -9.327 -2.790 6.087 1.00 0.00 N ATOM 0 H LYS A 221 -12.468 2.706 4.475 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.876 2.370 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -11.154 1.812 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.514 1.352 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -11.853 0.429 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -11.431 -0.421 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.055 -0.660 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -9.629 0.012 6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -11.195 -1.838 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -10.887 -2.448 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -9.705 -3.718 6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -8.603 -2.918 5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -8.901 -2.327 6.915 1.00 0.00 H new ATOM 540 N PRO A 222 -8.419 4.006 4.254 1.00 0.00 N ATOM 541 CA PRO A 222 -7.696 5.154 3.755 1.00 0.00 C ATOM 542 C PRO A 222 -7.649 5.107 2.230 1.00 0.00 C ATOM 543 O PRO A 222 -7.800 4.055 1.600 1.00 0.00 O ATOM 544 CB PRO A 222 -6.309 5.060 4.392 1.00 0.00 C ATOM 545 CG PRO A 222 -6.105 3.557 4.558 1.00 0.00 C ATOM 546 CD PRO A 222 -7.510 3.036 4.847 1.00 0.00 C ATOM 0 HA PRO A 222 -8.165 6.104 4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.543 5.503 3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -6.269 5.580 5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.687 3.107 3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.418 3.333 5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.657 2.046 4.415 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.681 2.944 5.920 1.00 0.00 H new ATOM 554 N GLU A 223 -7.426 6.270 1.637 1.00 0.00 N ATOM 555 CA GLU A 223 -7.257 6.456 0.208 1.00 0.00 C ATOM 556 C GLU A 223 -5.841 6.054 -0.188 1.00 0.00 C ATOM 557 O GLU A 223 -5.658 5.442 -1.236 1.00 0.00 O ATOM 558 CB GLU A 223 -7.486 7.925 -0.178 1.00 0.00 C ATOM 559 CG GLU A 223 -8.763 8.554 0.402 1.00 0.00 C ATOM 560 CD GLU A 223 -8.693 8.964 1.882 1.00 0.00 C ATOM 561 OE1 GLU A 223 -7.602 8.885 2.494 1.00 0.00 O ATOM 562 OE2 GLU A 223 -9.749 9.369 2.421 1.00 0.00 O ATOM 0 H GLU A 223 -7.355 7.143 2.160 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.986 5.836 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.628 8.510 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -7.523 7.999 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -9.012 9.436 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.583 7.846 0.279 1.00 0.00 H new ATOM 569 N HIS A 224 -4.861 6.389 0.655 1.00 0.00 N ATOM 570 CA HIS A 224 -3.456 6.029 0.491 1.00 0.00 C ATOM 571 C HIS A 224 -3.123 4.858 1.425 1.00 0.00 C ATOM 572 O HIS A 224 -3.347 4.945 2.636 1.00 0.00 O ATOM 573 CB HIS A 224 -2.553 7.250 0.748 1.00 0.00 C ATOM 574 CG HIS A 224 -2.953 8.474 -0.036 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.550 9.601 0.473 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.759 8.676 -1.375 1.00 0.00 C ATOM 577 CE1 HIS A 224 -3.717 10.468 -0.532 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.269 9.948 -1.691 1.00 0.00 N ATOM 0 H HIS A 224 -5.033 6.937 1.498 1.00 0.00 H new ATOM 0 HA HIS A 224 -3.272 5.710 -0.535 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.572 7.488 1.812 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.524 6.989 0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -2.298 7.984 -2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -4.152 11.451 -0.428 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.294 10.388 -2.611 1.00 0.00 H new ATOM 586 N ILE A 225 -2.566 3.768 0.894 1.00 0.00 N ATOM 587 CA ILE A 225 -2.085 2.621 1.669 1.00 0.00 C ATOM 588 C ILE A 225 -0.582 2.435 1.432 1.00 0.00 C ATOM 589 O ILE A 225 -0.114 2.775 0.348 1.00 0.00 O ATOM 590 CB ILE A 225 -2.857 1.339 1.304 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.701 0.944 -0.184 1.00 0.00 C ATOM 592 CG2 ILE A 225 -4.338 1.479 1.690 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.070 -0.519 -0.451 1.00 0.00 C ATOM 0 H ILE A 225 -2.433 3.655 -0.111 1.00 0.00 H new ATOM 0 HA ILE A 225 -2.259 2.817 2.727 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.417 0.525 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.331 1.590 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.671 1.117 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.871 0.565 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -4.420 1.649 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.775 2.322 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -2.941 -0.739 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -2.423 -1.170 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.109 -0.690 -0.168 1.00 0.00 H new ATOM 605 N PRO A 226 0.182 1.892 2.392 1.00 0.00 N ATOM 606 CA PRO A 226 1.579 1.551 2.176 1.00 0.00 C ATOM 607 C PRO A 226 1.618 0.313 1.277 1.00 0.00 C ATOM 608 O PRO A 226 1.005 -0.705 1.613 1.00 0.00 O ATOM 609 CB PRO A 226 2.152 1.304 3.571 1.00 0.00 C ATOM 610 CG PRO A 226 0.950 0.832 4.393 1.00 0.00 C ATOM 611 CD PRO A 226 -0.281 1.382 3.672 1.00 0.00 C ATOM 0 HA PRO A 226 2.167 2.323 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 226 2.940 0.552 3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 226 2.588 2.211 3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 226 0.917 -0.256 4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 226 1.004 1.204 5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -1.029 0.601 3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -0.752 2.172 4.257 1.00 0.00 H new ATOM 619 N ASP A 227 2.287 0.413 0.128 1.00 0.00 N ATOM 620 CA ASP A 227 2.210 -0.560 -0.956 1.00 0.00 C ATOM 621 C ASP A 227 2.554 -1.973 -0.472 1.00 0.00 C ATOM 622 O ASP A 227 3.691 -2.202 -0.044 1.00 0.00 O ATOM 623 CB ASP A 227 3.147 -0.147 -2.093 1.00 0.00 C ATOM 624 CG ASP A 227 3.175 -1.177 -3.223 1.00 0.00 C ATOM 625 OD1 ASP A 227 2.216 -1.972 -3.358 1.00 0.00 O ATOM 626 OD2 ASP A 227 4.180 -1.177 -3.964 1.00 0.00 O ATOM 0 H ASP A 227 2.912 1.193 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 227 1.183 -0.577 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 227 2.830 0.817 -2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.155 -0.014 -1.700 1.00 0.00 H new ATOM 631 N PRO A 228 1.603 -2.924 -0.486 1.00 0.00 N ATOM 632 CA PRO A 228 1.873 -4.293 -0.091 1.00 0.00 C ATOM 633 C PRO A 228 2.616 -5.104 -1.156 1.00 0.00 C ATOM 634 O PRO A 228 3.042 -6.214 -0.835 1.00 0.00 O ATOM 635 CB PRO A 228 0.506 -4.905 0.214 1.00 0.00 C ATOM 636 CG PRO A 228 -0.406 -4.164 -0.757 1.00 0.00 C ATOM 637 CD PRO A 228 0.190 -2.761 -0.797 1.00 0.00 C ATOM 0 HA PRO A 228 2.540 -4.309 0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.495 -5.981 0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 228 0.211 -4.745 1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.407 -4.629 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.439 -4.152 -0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.055 -2.306 -1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -0.297 -2.108 -0.073 1.00 0.00 H new ATOM 645 N ASP A 229 2.784 -4.627 -2.391 1.00 0.00 N ATOM 646 CA ASP A 229 3.654 -5.298 -3.363 1.00 0.00 C ATOM 647 C ASP A 229 5.108 -5.128 -2.924 1.00 0.00 C ATOM 648 O ASP A 229 5.860 -6.101 -2.815 1.00 0.00 O ATOM 649 CB ASP A 229 3.455 -4.714 -4.767 1.00 0.00 C ATOM 650 CG ASP A 229 4.406 -5.340 -5.784 1.00 0.00 C ATOM 651 OD1 ASP A 229 5.594 -4.947 -5.845 1.00 0.00 O ATOM 652 OD2 ASP A 229 3.946 -6.188 -6.583 1.00 0.00 O ATOM 0 H ASP A 229 2.332 -3.783 -2.742 1.00 0.00 H new ATOM 0 HA ASP A 229 3.399 -6.357 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.425 -4.876 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 229 3.613 -3.636 -4.738 1.00 0.00 H new ATOM 657 N ALA A 230 5.468 -3.877 -2.644 1.00 0.00 N ATOM 658 CA ALA A 230 6.774 -3.409 -2.237 1.00 0.00 C ATOM 659 C ALA A 230 7.251 -4.070 -0.936 1.00 0.00 C ATOM 660 O ALA A 230 6.546 -4.040 0.081 1.00 0.00 O ATOM 661 CB ALA A 230 6.639 -1.896 -2.082 1.00 0.00 C ATOM 0 H ALA A 230 4.796 -3.112 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 230 7.530 -3.672 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 230 7.596 -1.475 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 230 6.340 -1.458 -3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 230 5.885 -1.673 -1.327 1.00 0.00 H new ATOM 667 N LYS A 231 8.473 -4.628 -0.930 1.00 0.00 N ATOM 668 CA LYS A 231 8.991 -5.377 0.230 1.00 0.00 C ATOM 669 C LYS A 231 10.489 -5.270 0.497 1.00 0.00 C ATOM 670 O LYS A 231 11.051 -6.131 1.169 1.00 0.00 O ATOM 671 CB LYS A 231 8.499 -6.836 0.120 1.00 0.00 C ATOM 672 CG LYS A 231 8.883 -7.559 -1.184 1.00 0.00 C ATOM 673 CD LYS A 231 10.169 -8.369 -1.066 1.00 0.00 C ATOM 674 CE LYS A 231 9.900 -9.708 -0.368 1.00 0.00 C ATOM 675 NZ LYS A 231 11.017 -10.662 -0.521 1.00 0.00 N ATOM 0 H LYS A 231 9.122 -4.575 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 231 8.584 -4.898 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.898 -7.402 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.413 -6.845 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 231 8.069 -8.222 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 231 8.997 -6.823 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 231 10.586 -8.547 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 231 10.912 -7.803 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 231 9.721 -9.531 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 231 8.991 -10.150 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 10.785 -11.550 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 11.173 -10.854 -1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 11.880 -10.255 -0.108 1.00 0.00 H new ATOM 689 N LYS A 232 11.079 -4.116 0.187 1.00 0.00 N ATOM 690 CA LYS A 232 12.505 -3.840 0.088 1.00 0.00 C ATOM 691 C LYS A 232 13.123 -4.771 -0.962 1.00 0.00 C ATOM 692 O LYS A 232 13.044 -5.992 -0.826 1.00 0.00 O ATOM 693 CB LYS A 232 13.213 -3.894 1.445 1.00 0.00 C ATOM 694 CG LYS A 232 14.686 -3.463 1.312 1.00 0.00 C ATOM 695 CD LYS A 232 15.357 -3.035 2.623 1.00 0.00 C ATOM 696 CE LYS A 232 15.639 -4.166 3.614 1.00 0.00 C ATOM 697 NZ LYS A 232 14.424 -4.629 4.309 1.00 0.00 N ATOM 0 H LYS A 232 10.524 -3.285 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 232 12.646 -2.812 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 232 12.701 -3.242 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 232 13.160 -4.906 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.253 -4.289 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 232 14.744 -2.636 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 232 16.298 -2.540 2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 232 14.723 -2.296 3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 232 16.091 -5.004 3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 232 16.367 -3.825 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 14.672 -4.945 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 13.739 -3.849 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 14.003 -5.420 3.782 1.00 0.00 H new ATOM 711 N PRO A 233 13.701 -4.222 -2.037 1.00 0.00 N ATOM 712 CA PRO A 233 14.244 -5.053 -3.092 1.00 0.00 C ATOM 713 C PRO A 233 15.372 -5.925 -2.537 1.00 0.00 C ATOM 714 O PRO A 233 16.187 -5.475 -1.732 1.00 0.00 O ATOM 715 CB PRO A 233 14.727 -4.097 -4.188 1.00 0.00 C ATOM 716 CG PRO A 233 14.624 -2.685 -3.612 1.00 0.00 C ATOM 717 CD PRO A 233 13.851 -2.802 -2.309 1.00 0.00 C ATOM 0 HA PRO A 233 13.503 -5.739 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 233 15.754 -4.324 -4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.115 -4.195 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.614 -2.264 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.113 -2.019 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.384 -2.307 -1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 233 12.877 -2.319 -2.392 1.00 0.00 H new ATOM 725 N GLU A 234 15.510 -7.142 -3.064 1.00 0.00 N ATOM 726 CA GLU A 234 16.703 -7.988 -2.907 1.00 0.00 C ATOM 727 C GLU A 234 17.956 -7.320 -3.524 1.00 0.00 C ATOM 728 O GLU A 234 19.080 -7.759 -3.314 1.00 0.00 O ATOM 729 CB GLU A 234 16.351 -9.343 -3.544 1.00 0.00 C ATOM 730 CG GLU A 234 17.355 -10.481 -3.319 1.00 0.00 C ATOM 731 CD GLU A 234 16.705 -11.813 -3.704 1.00 0.00 C ATOM 732 OE1 GLU A 234 16.498 -12.083 -4.909 1.00 0.00 O ATOM 733 OE2 GLU A 234 16.236 -12.527 -2.786 1.00 0.00 O ATOM 0 H GLU A 234 14.781 -7.581 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 234 16.966 -8.131 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 234 15.382 -9.661 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 234 16.235 -9.196 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 234 18.251 -10.314 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 234 17.668 -10.504 -2.275 1.00 0.00 H new ATOM 740 N ASP A 235 17.729 -6.213 -4.233 1.00 0.00 N ATOM 741 CA ASP A 235 18.586 -5.354 -5.052 1.00 0.00 C ATOM 742 C ASP A 235 18.683 -3.937 -4.429 1.00 0.00 C ATOM 743 O ASP A 235 18.977 -2.966 -5.121 1.00 0.00 O ATOM 744 CB ASP A 235 17.919 -5.381 -6.441 1.00 0.00 C ATOM 745 CG ASP A 235 18.604 -4.643 -7.592 1.00 0.00 C ATOM 746 OD1 ASP A 235 19.748 -5.004 -7.918 1.00 0.00 O ATOM 747 OD2 ASP A 235 17.850 -3.956 -8.336 1.00 0.00 O ATOM 0 H ASP A 235 16.780 -5.840 -4.245 1.00 0.00 H new ATOM 0 HA ASP A 235 19.621 -5.689 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 235 17.808 -6.425 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 235 16.915 -4.971 -6.335 1.00 0.00 H new ATOM 752 N TRP A 236 18.332 -3.778 -3.140 1.00 0.00 N ATOM 753 CA TRP A 236 18.611 -2.589 -2.319 1.00 0.00 C ATOM 754 C TRP A 236 19.977 -2.687 -1.641 1.00 0.00 C ATOM 755 O TRP A 236 20.463 -3.793 -1.386 1.00 0.00 O ATOM 756 CB TRP A 236 17.569 -2.459 -1.194 1.00 0.00 C ATOM 757 CG TRP A 236 17.556 -1.143 -0.473 1.00 0.00 C ATOM 758 CD1 TRP A 236 18.051 -0.886 0.762 1.00 0.00 C ATOM 759 CD2 TRP A 236 17.083 0.135 -0.983 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.899 0.457 1.044 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.277 1.130 0.014 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.521 0.546 -2.205 1.00 0.00 C ATOM 763 CZ2 TRP A 236 16.855 2.456 -0.165 1.00 0.00 C ATOM 764 CZ3 TRP A 236 16.141 1.885 -2.420 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.293 2.837 -1.395 1.00 0.00 C ATOM 0 H TRP A 236 17.829 -4.500 -2.625 1.00 0.00 H new ATOM 0 HA TRP A 236 18.581 -1.731 -2.991 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.580 -2.631 -1.618 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.746 -3.251 -0.466 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.495 -1.617 1.422 1.00 0.00 H new ATOM 0 HE1 TRP A 236 18.209 0.898 1.910 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.378 -0.179 -2.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 16.961 3.175 0.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.732 2.182 -3.374 1.00 0.00 H new ATOM 0 HH2 TRP A 236 15.978 3.858 -1.553 1.00 0.00 H new ATOM 776 N ASP A 237 20.509 -1.542 -1.208 1.00 0.00 N ATOM 777 CA ASP A 237 21.718 -1.418 -0.407 1.00 0.00 C ATOM 778 C ASP A 237 21.514 -0.318 0.639 1.00 0.00 C ATOM 779 O ASP A 237 21.434 0.870 0.311 1.00 0.00 O ATOM 780 CB ASP A 237 22.912 -1.122 -1.312 1.00 0.00 C ATOM 781 CG ASP A 237 24.241 -1.130 -0.540 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.209 -1.046 0.711 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.290 -1.221 -1.215 1.00 0.00 O ATOM 0 H ASP A 237 20.086 -0.638 -1.418 1.00 0.00 H new ATOM 0 HA ASP A 237 21.924 -2.353 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 237 22.953 -1.863 -2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.775 -0.150 -1.786 1.00 0.00 H new ATOM 788 N GLU A 238 21.358 -0.718 1.902 1.00 0.00 N ATOM 789 CA GLU A 238 21.127 0.190 3.015 1.00 0.00 C ATOM 790 C GLU A 238 22.378 0.980 3.404 1.00 0.00 C ATOM 791 O GLU A 238 22.240 2.060 3.977 1.00 0.00 O ATOM 792 CB GLU A 238 20.582 -0.623 4.202 1.00 0.00 C ATOM 793 CG GLU A 238 20.059 0.244 5.354 1.00 0.00 C ATOM 794 CD GLU A 238 19.422 -0.557 6.491 1.00 0.00 C ATOM 795 OE1 GLU A 238 18.608 -1.466 6.224 1.00 0.00 O ATOM 796 OE2 GLU A 238 19.713 -0.252 7.673 1.00 0.00 O ATOM 0 H GLU A 238 21.390 -1.699 2.180 1.00 0.00 H new ATOM 0 HA GLU A 238 20.396 0.938 2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 238 19.777 -1.268 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 238 21.371 -1.274 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 238 20.883 0.834 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 238 19.325 0.948 4.962 1.00 0.00 H new ATOM 803 N GLU A 239 23.583 0.502 3.083 1.00 0.00 N ATOM 804 CA GLU A 239 24.788 1.295 3.317 1.00 0.00 C ATOM 805 C GLU A 239 24.956 2.345 2.214 1.00 0.00 C ATOM 806 O GLU A 239 25.673 3.328 2.405 1.00 0.00 O ATOM 807 CB GLU A 239 26.039 0.406 3.487 1.00 0.00 C ATOM 808 CG GLU A 239 25.999 -0.399 4.802 1.00 0.00 C ATOM 809 CD GLU A 239 27.333 -1.084 5.153 1.00 0.00 C ATOM 810 OE1 GLU A 239 28.321 -0.354 5.406 1.00 0.00 O ATOM 811 OE2 GLU A 239 27.350 -2.334 5.250 1.00 0.00 O ATOM 0 H GLU A 239 23.747 -0.415 2.667 1.00 0.00 H new ATOM 0 HA GLU A 239 24.671 1.826 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 239 26.114 -0.280 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.933 1.030 3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 239 25.719 0.268 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 239 25.220 -1.158 4.729 1.00 0.00 H new ATOM 818 N MET A 240 24.251 2.186 1.090 1.00 0.00 N ATOM 819 CA MET A 240 24.313 3.099 -0.037 1.00 0.00 C ATOM 820 C MET A 240 23.271 4.194 0.118 1.00 0.00 C ATOM 821 O MET A 240 23.595 5.379 0.199 1.00 0.00 O ATOM 822 CB MET A 240 24.090 2.327 -1.342 1.00 0.00 C ATOM 823 CG MET A 240 24.570 3.151 -2.538 1.00 0.00 C ATOM 824 SD MET A 240 24.298 2.374 -4.152 1.00 0.00 S ATOM 825 CE MET A 240 24.753 3.760 -5.223 1.00 0.00 C ATOM 0 H MET A 240 23.613 1.404 0.943 1.00 0.00 H new ATOM 0 HA MET A 240 25.299 3.564 -0.067 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.626 1.379 -1.307 1.00 0.00 H new ATOM 0 HB3 MET A 240 23.032 2.091 -1.456 1.00 0.00 H new ATOM 0 HG2 MET A 240 24.062 4.116 -2.524 1.00 0.00 H new ATOM 0 HG3 MET A 240 25.635 3.350 -2.421 1.00 0.00 H new ATOM 0 HE1 MET A 240 24.646 3.464 -6.267 1.00 0.00 H new ATOM 0 HE2 MET A 240 24.100 4.608 -5.018 1.00 0.00 H new ATOM 0 HE3 MET A 240 25.788 4.044 -5.031 1.00 0.00 H new ATOM 835 N ASP A 241 22.001 3.795 0.092 1.00 0.00 N ATOM 836 CA ASP A 241 20.886 4.734 0.032 1.00 0.00 C ATOM 837 C ASP A 241 20.419 5.040 1.446 1.00 0.00 C ATOM 838 O ASP A 241 20.021 6.171 1.736 1.00 0.00 O ATOM 839 CB ASP A 241 19.726 4.177 -0.807 1.00 0.00 C ATOM 840 CG ASP A 241 19.534 4.938 -2.118 1.00 0.00 C ATOM 841 OD1 ASP A 241 19.270 6.164 -2.064 1.00 0.00 O ATOM 842 OD2 ASP A 241 19.623 4.308 -3.196 1.00 0.00 O ATOM 0 H ASP A 241 21.718 2.815 0.112 1.00 0.00 H new ATOM 0 HA ASP A 241 21.225 5.650 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 241 19.912 3.125 -1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.806 4.224 -0.225 1.00 0.00 H new ATOM 847 N GLY A 242 20.543 4.074 2.356 1.00 0.00 N ATOM 848 CA GLY A 242 19.926 4.137 3.678 1.00 0.00 C ATOM 849 C GLY A 242 18.715 3.219 3.756 1.00 0.00 C ATOM 850 O GLY A 242 18.411 2.483 2.822 1.00 0.00 O ATOM 0 H GLY A 242 21.078 3.221 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.654 3.851 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.625 5.162 3.895 1.00 0.00 H new ATOM 854 N GLU A 243 18.028 3.214 4.892 1.00 0.00 N ATOM 855 CA GLU A 243 16.892 2.343 5.133 1.00 0.00 C ATOM 856 C GLU A 243 15.699 2.762 4.276 1.00 0.00 C ATOM 857 O GLU A 243 15.126 3.841 4.455 1.00 0.00 O ATOM 858 CB GLU A 243 16.555 2.380 6.613 1.00 0.00 C ATOM 859 CG GLU A 243 15.506 1.330 6.989 1.00 0.00 C ATOM 860 CD GLU A 243 14.688 1.775 8.198 1.00 0.00 C ATOM 861 OE1 GLU A 243 13.935 2.772 8.058 1.00 0.00 O ATOM 862 OE2 GLU A 243 14.793 1.156 9.280 1.00 0.00 O ATOM 0 H GLU A 243 18.250 3.823 5.679 1.00 0.00 H new ATOM 0 HA GLU A 243 17.143 1.320 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 243 17.461 2.212 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 243 16.186 3.371 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 243 14.842 1.156 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 243 15.998 0.383 7.209 1.00 0.00 H new ATOM 869 N TRP A 244 15.318 1.866 3.375 1.00 0.00 N ATOM 870 CA TRP A 244 14.166 1.923 2.494 1.00 0.00 C ATOM 871 C TRP A 244 12.850 2.075 3.268 1.00 0.00 C ATOM 872 O TRP A 244 12.725 1.669 4.430 1.00 0.00 O ATOM 873 CB TRP A 244 14.192 0.585 1.740 1.00 0.00 C ATOM 874 CG TRP A 244 13.136 0.339 0.723 1.00 0.00 C ATOM 875 CD1 TRP A 244 13.172 0.731 -0.568 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.881 -0.373 0.901 1.00 0.00 C ATOM 877 NE1 TRP A 244 12.020 0.316 -1.202 1.00 0.00 N ATOM 878 CE2 TRP A 244 11.184 -0.356 -0.337 1.00 0.00 C ATOM 879 CE3 TRP A 244 11.258 -1.018 1.991 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.926 -0.945 -0.477 1.00 0.00 C ATOM 881 CZ3 TRP A 244 10.003 -1.638 1.853 1.00 0.00 C ATOM 882 CH2 TRP A 244 9.347 -1.612 0.615 1.00 0.00 C ATOM 0 H TRP A 244 15.854 1.010 3.232 1.00 0.00 H new ATOM 0 HA TRP A 244 14.216 2.788 1.832 1.00 0.00 H new ATOM 0 HB2 TRP A 244 15.159 0.499 1.245 1.00 0.00 H new ATOM 0 HB3 TRP A 244 14.139 -0.216 2.478 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.976 1.283 -1.031 1.00 0.00 H new ATOM 0 HE1 TRP A 244 11.813 0.485 -2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.755 -1.036 2.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.401 -0.888 -1.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.547 -2.132 2.698 1.00 0.00 H new ATOM 0 HH2 TRP A 244 8.394 -2.106 0.500 1.00 0.00 H new ATOM 893 N GLU A 245 11.811 2.537 2.581 1.00 0.00 N ATOM 894 CA GLU A 245 10.418 2.373 2.950 1.00 0.00 C ATOM 895 C GLU A 245 9.631 2.118 1.665 1.00 0.00 C ATOM 896 O GLU A 245 10.050 2.573 0.598 1.00 0.00 O ATOM 897 CB GLU A 245 9.893 3.590 3.728 1.00 0.00 C ATOM 898 CG GLU A 245 9.627 4.860 2.903 1.00 0.00 C ATOM 899 CD GLU A 245 10.880 5.478 2.290 1.00 0.00 C ATOM 900 OE1 GLU A 245 11.852 5.709 3.050 1.00 0.00 O ATOM 901 OE2 GLU A 245 10.843 5.839 1.091 1.00 0.00 O ATOM 0 H GLU A 245 11.927 3.059 1.713 1.00 0.00 H new ATOM 0 HA GLU A 245 10.299 1.526 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 245 8.966 3.305 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 245 10.613 3.834 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 245 8.925 4.621 2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 245 9.144 5.600 3.541 1.00 0.00 H new ATOM 908 N PRO A 246 8.504 1.403 1.752 1.00 0.00 N ATOM 909 CA PRO A 246 7.553 1.327 0.663 1.00 0.00 C ATOM 910 C PRO A 246 6.819 2.669 0.532 1.00 0.00 C ATOM 911 O PRO A 246 6.536 3.312 1.549 1.00 0.00 O ATOM 912 CB PRO A 246 6.583 0.208 1.032 1.00 0.00 C ATOM 913 CG PRO A 246 6.823 -0.080 2.518 1.00 0.00 C ATOM 914 CD PRO A 246 7.993 0.774 2.952 1.00 0.00 C ATOM 0 HA PRO A 246 8.034 1.123 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.551 0.511 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.763 -0.681 0.427 1.00 0.00 H new ATOM 0 HG2 PRO A 246 5.935 0.156 3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.038 -1.137 2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.679 1.522 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.762 0.167 3.430 1.00 0.00 H new ATOM 922 N PRO A 247 6.459 3.081 -0.691 1.00 0.00 N ATOM 923 CA PRO A 247 5.674 4.282 -0.905 1.00 0.00 C ATOM 924 C PRO A 247 4.226 4.047 -0.483 1.00 0.00 C ATOM 925 O PRO A 247 3.737 2.912 -0.459 1.00 0.00 O ATOM 926 CB PRO A 247 5.778 4.562 -2.406 1.00 0.00 C ATOM 927 CG PRO A 247 5.917 3.162 -3.001 1.00 0.00 C ATOM 928 CD PRO A 247 6.709 2.396 -1.946 1.00 0.00 C ATOM 0 HA PRO A 247 6.033 5.126 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 247 4.894 5.076 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.638 5.189 -2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 247 4.944 2.705 -3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.440 3.184 -3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.388 1.356 -1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 247 7.773 2.390 -2.183 1.00 0.00 H new ATOM 936 N VAL A 248 3.506 5.137 -0.228 1.00 0.00 N ATOM 937 CA VAL A 248 2.063 5.100 -0.139 1.00 0.00 C ATOM 938 C VAL A 248 1.535 5.157 -1.573 1.00 0.00 C ATOM 939 O VAL A 248 1.943 6.035 -2.338 1.00 0.00 O ATOM 940 CB VAL A 248 1.509 6.240 0.747 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.440 5.661 1.675 1.00 0.00 C ATOM 942 CG2 VAL A 248 2.540 6.948 1.639 1.00 0.00 C ATOM 0 H VAL A 248 3.911 6.061 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 248 1.726 4.185 0.349 1.00 0.00 H new ATOM 0 HB VAL A 248 1.133 6.986 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.039 6.453 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -0.365 5.230 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 248 0.883 4.886 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.046 7.729 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 248 2.992 6.225 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.315 7.394 1.016 1.00 0.00 H new ATOM 952 N ILE A 249 0.633 4.251 -1.933 1.00 0.00 N ATOM 953 CA ILE A 249 -0.039 4.181 -3.228 1.00 0.00 C ATOM 954 C ILE A 249 -1.538 4.365 -3.004 1.00 0.00 C ATOM 955 O ILE A 249 -2.017 4.259 -1.871 1.00 0.00 O ATOM 956 CB ILE A 249 0.296 2.849 -3.938 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.211 1.625 -3.145 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.809 2.793 -4.219 1.00 0.00 C ATOM 959 CD1 ILE A 249 -0.243 0.337 -3.971 1.00 0.00 C ATOM 0 H ILE A 249 0.335 3.509 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 249 0.311 4.976 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.232 2.810 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.429 1.474 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.214 1.833 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 249 2.052 1.856 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 249 2.092 3.630 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 249 2.356 2.854 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -0.609 -0.483 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -0.905 0.470 -4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 249 0.762 0.105 -4.323 1.00 0.00 H new ATOM 971 N GLN A 250 -2.296 4.630 -4.065 1.00 0.00 N ATOM 972 CA GLN A 250 -3.738 4.792 -3.954 1.00 0.00 C ATOM 973 C GLN A 250 -4.375 3.411 -3.852 1.00 0.00 C ATOM 974 O GLN A 250 -4.247 2.610 -4.772 1.00 0.00 O ATOM 975 CB GLN A 250 -4.287 5.620 -5.127 1.00 0.00 C ATOM 976 CG GLN A 250 -5.724 6.130 -4.888 1.00 0.00 C ATOM 977 CD GLN A 250 -6.828 5.192 -5.381 1.00 0.00 C ATOM 978 OE1 GLN A 250 -7.131 5.136 -6.570 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.498 4.481 -4.491 1.00 0.00 N ATOM 0 H GLN A 250 -1.932 4.737 -5.012 1.00 0.00 H new ATOM 0 HA GLN A 250 -3.990 5.351 -3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -3.630 6.472 -5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.269 5.013 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -5.861 6.300 -3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -5.839 7.095 -5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -7.244 4.529 -3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.269 3.884 -4.791 1.00 0.00 H new ATOM 988 N ASN A 251 -5.065 3.174 -2.737 1.00 0.00 N ATOM 989 CA ASN A 251 -5.754 1.963 -2.313 1.00 0.00 C ATOM 990 C ASN A 251 -6.440 1.243 -3.478 1.00 0.00 C ATOM 991 O ASN A 251 -7.550 1.644 -3.836 1.00 0.00 O ATOM 992 CB ASN A 251 -6.759 2.364 -1.217 1.00 0.00 C ATOM 993 CG ASN A 251 -7.439 1.185 -0.556 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.424 0.079 -1.069 1.00 0.00 O ATOM 995 ND2 ASN A 251 -8.055 1.402 0.588 1.00 0.00 N ATOM 0 H ASN A 251 -5.163 3.908 -2.035 1.00 0.00 H new ATOM 0 HA ASN A 251 -5.032 1.247 -1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.240 2.947 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.519 3.013 -1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -8.533 0.636 1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -8.054 2.336 0.998 1.00 0.00 H new ATOM 1002 N PRO A 252 -5.835 0.192 -4.065 1.00 0.00 N ATOM 1003 CA PRO A 252 -6.428 -0.540 -5.173 1.00 0.00 C ATOM 1004 C PRO A 252 -7.469 -1.551 -4.655 1.00 0.00 C ATOM 1005 O PRO A 252 -7.537 -2.697 -5.104 1.00 0.00 O ATOM 1006 CB PRO A 252 -5.224 -1.168 -5.881 1.00 0.00 C ATOM 1007 CG PRO A 252 -4.252 -1.480 -4.747 1.00 0.00 C ATOM 1008 CD PRO A 252 -4.541 -0.383 -3.720 1.00 0.00 C ATOM 0 HA PRO A 252 -6.996 0.077 -5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -5.506 -2.070 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -4.785 -0.483 -6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -4.424 -2.473 -4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -3.216 -1.450 -5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -4.558 -0.794 -2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -3.762 0.379 -3.740 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.312 -1.119 -3.717 1.00 0.00 N ATOM 1017 CA GLU A 253 -9.632 -1.669 -3.475 1.00 0.00 C ATOM 1018 C GLU A 253 -10.594 -0.549 -3.051 1.00 0.00 C ATOM 1019 O GLU A 253 -11.736 -0.609 -3.500 1.00 0.00 O ATOM 1020 CB GLU A 253 -9.662 -2.861 -2.501 1.00 0.00 C ATOM 1021 CG GLU A 253 -9.028 -2.563 -1.153 1.00 0.00 C ATOM 1022 CD GLU A 253 -9.387 -3.549 -0.027 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -10.115 -4.549 -0.248 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -8.983 -3.292 1.133 1.00 0.00 O ATOM 0 H GLU A 253 -8.080 -0.351 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 253 -9.969 -2.095 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -10.697 -3.167 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -9.145 -3.705 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -7.945 -2.553 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -9.324 -1.560 -0.844 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.160 0.428 -2.221 1.00 0.00 N ATOM 1032 CA TYR A 254 -10.920 1.570 -1.681 1.00 0.00 C ATOM 1033 C TYR A 254 -12.436 1.337 -1.630 1.00 0.00 C ATOM 1034 O TYR A 254 -13.158 1.627 -2.587 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.584 2.886 -2.396 1.00 0.00 C ATOM 1036 CG TYR A 254 -11.250 4.078 -1.726 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -10.707 4.619 -0.545 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -12.466 4.583 -2.227 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -11.364 5.668 0.124 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -13.156 5.595 -1.539 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.607 6.139 -0.357 1.00 0.00 C ATOM 1042 OH TYR A 254 -13.303 7.093 0.315 1.00 0.00 O ATOM 0 H TYR A 254 -9.196 0.435 -1.889 1.00 0.00 H new ATOM 0 HA TYR A 254 -10.592 1.660 -0.646 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.504 3.030 -2.404 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -10.905 2.827 -3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -9.781 4.227 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -12.871 4.189 -3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -10.920 6.112 1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -14.103 5.956 -1.913 1.00 0.00 H new ATOM 0 HH TYR A 254 -14.133 7.292 -0.166 1.00 0.00 H new ATOM 1052 N LYS A 255 -12.940 0.840 -0.498 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.350 0.471 -0.371 1.00 0.00 C ATOM 1054 C LYS A 255 -15.288 1.625 -0.717 1.00 0.00 C ATOM 1055 O LYS A 255 -16.252 1.413 -1.454 1.00 0.00 O ATOM 1056 CB LYS A 255 -14.675 -0.025 1.027 1.00 0.00 C ATOM 1057 CG LYS A 255 -13.937 -1.299 1.434 1.00 0.00 C ATOM 1058 CD LYS A 255 -14.520 -1.712 2.781 1.00 0.00 C ATOM 1059 CE LYS A 255 -13.946 -3.022 3.304 1.00 0.00 C ATOM 1060 NZ LYS A 255 -14.518 -3.379 4.621 1.00 0.00 N ATOM 0 H LYS A 255 -12.389 0.684 0.346 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.510 -0.334 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -14.437 0.762 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -15.748 -0.204 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -14.077 -2.085 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -12.865 -1.121 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -14.331 -0.923 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -15.602 -1.808 2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -14.149 -3.820 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -12.863 -2.938 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -14.197 -4.330 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -14.203 -2.691 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -15.556 -3.368 4.563 1.00 0.00 H new ATOM 1074 N GLY A 256 -15.016 2.820 -0.188 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.680 4.063 -0.538 1.00 0.00 C ATOM 1076 C GLY A 256 -17.178 4.034 -0.297 1.00 0.00 C ATOM 1077 O GLY A 256 -17.646 4.301 0.814 1.00 0.00 O ATOM 0 H GLY A 256 -14.297 2.946 0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -15.242 4.876 0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.493 4.283 -1.589 1.00 0.00 H new ATOM 1081 N GLU A 257 -17.935 3.731 -1.344 1.00 0.00 N ATOM 1082 CA GLU A 257 -19.373 3.837 -1.374 1.00 0.00 C ATOM 1083 C GLU A 257 -19.975 2.678 -0.581 1.00 0.00 C ATOM 1084 O GLU A 257 -20.265 1.615 -1.131 1.00 0.00 O ATOM 1085 CB GLU A 257 -19.942 3.943 -2.805 1.00 0.00 C ATOM 1086 CG GLU A 257 -19.153 3.341 -3.984 1.00 0.00 C ATOM 1087 CD GLU A 257 -19.247 4.243 -5.217 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -18.547 5.288 -5.249 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -20.063 3.939 -6.120 1.00 0.00 O ATOM 0 H GLU A 257 -17.542 3.393 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 257 -19.661 4.775 -0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -20.927 3.477 -2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -20.092 5.001 -3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -18.108 3.212 -3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -19.543 2.351 -4.221 1.00 0.00 H new ATOM 1096 N TRP A 258 -20.131 2.881 0.726 1.00 0.00 N ATOM 1097 CA TRP A 258 -20.783 1.945 1.627 1.00 0.00 C ATOM 1098 C TRP A 258 -22.216 1.702 1.202 1.00 0.00 C ATOM 1099 O TRP A 258 -22.867 2.577 0.617 1.00 0.00 O ATOM 1100 CB TRP A 258 -20.755 2.507 3.045 1.00 0.00 C ATOM 1101 CG TRP A 258 -21.643 1.822 4.034 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.322 0.778 4.828 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -23.064 2.058 4.247 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -22.425 0.431 5.582 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -23.544 1.140 5.222 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -24.013 2.879 3.612 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -24.893 1.083 5.601 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -25.374 2.791 3.929 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -25.803 1.947 4.974 1.00 0.00 C ATOM 0 H TRP A 258 -19.798 3.723 1.195 1.00 0.00 H new ATOM 0 HA TRP A 258 -20.249 0.996 1.595 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -19.730 2.462 3.413 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -21.033 3.560 3.004 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -20.358 0.293 4.867 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -22.410 -0.271 6.322 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -23.686 3.590 2.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -25.224 0.389 6.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -26.096 3.370 3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -26.835 1.966 5.292 1.00 0.00 H new ATOM 1120 N LYS A 259 -22.719 0.519 1.556 1.00 0.00 N ATOM 1121 CA LYS A 259 -24.084 0.129 1.291 1.00 0.00 C ATOM 1122 C LYS A 259 -24.558 -0.787 2.410 1.00 0.00 C ATOM 1123 O LYS A 259 -23.728 -1.397 3.091 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.178 -0.563 -0.085 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.249 0.015 -1.162 1.00 0.00 C ATOM 1126 CD LYS A 259 -23.435 -0.690 -2.509 1.00 0.00 C ATOM 1127 CE LYS A 259 -22.150 -0.791 -3.336 1.00 0.00 C ATOM 1128 NZ LYS A 259 -21.383 0.469 -3.403 1.00 0.00 N ATOM 0 H LYS A 259 -22.175 -0.196 2.040 1.00 0.00 H new ATOM 0 HA LYS A 259 -24.729 1.007 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -23.951 -1.622 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.207 -0.497 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -23.446 1.081 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.212 -0.084 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -23.823 -1.693 -2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -24.188 -0.155 -3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -21.516 -1.569 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -22.404 -1.105 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -20.658 0.395 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -22.026 1.255 -3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -20.924 0.645 -2.486 1.00 0.00 H new ATOM 1142 N PRO A 260 -25.877 -0.918 2.604 1.00 0.00 N ATOM 1143 CA PRO A 260 -26.436 -1.785 3.625 1.00 0.00 C ATOM 1144 C PRO A 260 -26.497 -3.237 3.135 1.00 0.00 C ATOM 1145 O PRO A 260 -27.576 -3.801 2.921 1.00 0.00 O ATOM 1146 CB PRO A 260 -27.815 -1.205 3.891 1.00 0.00 C ATOM 1147 CG PRO A 260 -28.241 -0.700 2.518 1.00 0.00 C ATOM 1148 CD PRO A 260 -26.934 -0.142 1.967 1.00 0.00 C ATOM 0 HA PRO A 260 -25.834 -1.820 4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -28.503 -1.958 4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -27.780 -0.400 4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -28.638 -1.500 1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -29.015 0.065 2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -26.893 -0.240 0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -26.833 0.919 2.196 1.00 0.00 H new ATOM 1156 N ARG A 261 -25.345 -3.850 2.886 1.00 0.00 N ATOM 1157 CA ARG A 261 -25.207 -5.272 2.663 1.00 0.00 C ATOM 1158 C ARG A 261 -23.764 -5.653 2.942 1.00 0.00 C ATOM 1159 O ARG A 261 -23.471 -6.862 2.878 1.00 0.00 O ATOM 1160 CB ARG A 261 -25.682 -5.612 1.243 1.00 0.00 C ATOM 1161 CG ARG A 261 -26.722 -6.737 1.252 1.00 0.00 C ATOM 1162 CD ARG A 261 -26.226 -8.117 1.706 1.00 0.00 C ATOM 1163 NE ARG A 261 -27.354 -9.058 1.761 1.00 0.00 N ATOM 1164 CZ ARG A 261 -27.322 -10.395 1.761 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -26.182 -11.078 1.804 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -28.481 -11.041 1.726 1.00 0.00 N ATOM 0 H ARG A 261 -24.458 -3.349 2.834 1.00 0.00 H new ATOM 0 HA ARG A 261 -25.833 -5.858 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -26.110 -4.723 0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -24.828 -5.910 0.634 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -27.544 -6.438 1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -27.130 -6.834 0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -25.466 -8.485 1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -25.756 -8.040 2.687 1.00 0.00 H new ATOM 0 HE ARG A 261 -28.282 -8.636 1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -25.291 -10.582 1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -26.198 -12.098 1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -29.356 -10.518 1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -28.497 -12.061 1.725 1.00 0.00 H new