USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 505 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 274 TYR OH : rot -136:sc= 1.07 USER MOD Single : A 278 THR OG1 : rot -125:sc= 1.28 USER MOD Single : A 279 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00372) USER MOD Single : A 281 THR OG1 : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot 180:sc= 0 USER MOD Single : A 286 ASN : amide:sc= 0.266 K(o=0.27,f=-3.9!) USER MOD Single : A 288 THR OG1 : rot -81:sc= 1.28 USER MOD Single : A 290 TYR OH : rot 180:sc= 0 USER MOD Single : A 292 CYS SG : rot -170:sc= -0.337 USER MOD Single : A 305 HIS : no HD1:sc= -0.0921 X(o=-0.092,f=-0.063) USER MOD Single : A 323 ASN : amide:sc= 0.113 K(o=0.11,f=-2.3) USER MOD Single : A 331 MET CE :methyl -122:sc=-0.00483 (180deg=-0.0666) USER MOD Single : A 343 SER OG : rot -149:sc= -0.704 USER MOD Single : A 347 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00274) USER MOD Single : A 348 GLN : amide:sc= -0.054 X(o=-0.054,f=-0.024) USER MOD Single : A 349 CYS SG : rot -31:sc= 0.384 USER MOD Single : A 350 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 126 N TYR A 274 16.389 -1.242 -5.336 1.00 0.00 N ATOM 127 CA TYR A 274 15.196 -1.477 -6.154 1.00 0.00 C ATOM 128 C TYR A 274 15.042 -0.464 -7.292 1.00 0.00 C ATOM 129 O TYR A 274 15.671 0.594 -7.237 1.00 0.00 O ATOM 130 CB TYR A 274 13.878 -1.452 -5.266 1.00 0.00 C ATOM 131 CG TYR A 274 13.412 -0.149 -4.632 1.00 0.00 C ATOM 132 CD1 TYR A 274 14.206 0.972 -4.472 1.00 0.00 C ATOM 133 CD2 TYR A 274 12.118 -0.085 -4.156 1.00 0.00 C ATOM 134 CE1 TYR A 274 13.746 2.106 -3.846 1.00 0.00 C ATOM 135 CE2 TYR A 274 11.659 1.040 -3.504 1.00 0.00 C ATOM 136 CZ TYR A 274 12.491 2.121 -3.311 1.00 0.00 C ATOM 137 OH TYR A 274 12.123 3.215 -2.510 1.00 0.00 O ATOM 0 HA TYR A 274 15.332 -2.465 -6.595 1.00 0.00 H new ATOM 0 HB2 TYR A 274 13.062 -1.820 -5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 274 14.016 -2.173 -4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 274 15.218 0.956 -4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 274 11.456 -0.927 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 274 14.375 2.981 -3.778 1.00 0.00 H new ATOM 0 HE2 TYR A 274 10.642 1.074 -3.143 1.00 0.00 H new ATOM 0 HH TYR A 274 11.652 2.893 -1.713 1.00 0.00 H new ATOM 147 N PRO A 275 14.229 -0.725 -8.346 1.00 0.00 N ATOM 148 CA PRO A 275 13.709 0.299 -9.249 1.00 0.00 C ATOM 149 C PRO A 275 12.407 0.874 -8.628 1.00 0.00 C ATOM 150 O PRO A 275 11.336 0.279 -8.770 1.00 0.00 O ATOM 151 CB PRO A 275 13.466 -0.498 -10.548 1.00 0.00 C ATOM 152 CG PRO A 275 13.249 -1.969 -10.130 1.00 0.00 C ATOM 153 CD PRO A 275 13.641 -2.030 -8.645 1.00 0.00 C ATOM 0 HA PRO A 275 14.357 1.157 -9.428 1.00 0.00 H new ATOM 0 HB2 PRO A 275 12.596 -0.114 -11.081 1.00 0.00 H new ATOM 0 HB3 PRO A 275 14.318 -0.409 -11.222 1.00 0.00 H new ATOM 0 HG2 PRO A 275 12.212 -2.271 -10.276 1.00 0.00 H new ATOM 0 HG3 PRO A 275 13.864 -2.643 -10.727 1.00 0.00 H new ATOM 0 HD2 PRO A 275 12.772 -2.223 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 275 14.353 -2.834 -8.459 1.00 0.00 H new ATOM 161 N GLU A 276 12.489 2.031 -7.909 1.00 0.00 N ATOM 162 CA GLU A 276 11.419 2.754 -7.190 1.00 0.00 C ATOM 163 C GLU A 276 10.374 3.400 -8.084 1.00 0.00 C ATOM 164 O GLU A 276 10.746 3.991 -9.098 1.00 0.00 O ATOM 165 CB GLU A 276 12.075 3.905 -6.372 1.00 0.00 C ATOM 166 CG GLU A 276 11.222 4.640 -5.307 1.00 0.00 C ATOM 167 CD GLU A 276 10.484 5.860 -5.865 1.00 0.00 C ATOM 168 OE1 GLU A 276 11.167 6.757 -6.429 1.00 0.00 O ATOM 169 OE2 GLU A 276 9.233 5.919 -5.727 1.00 0.00 O ATOM 0 H GLU A 276 13.382 2.514 -7.815 1.00 0.00 H new ATOM 0 HA GLU A 276 10.912 2.006 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 276 12.951 3.496 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 276 12.434 4.651 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 276 10.495 3.944 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 276 11.868 4.957 -4.488 1.00 0.00 H new ATOM 176 N GLY A 277 9.030 3.344 -7.745 1.00 0.00 N ATOM 177 CA GLY A 277 8.049 4.042 -8.604 1.00 0.00 C ATOM 178 C GLY A 277 7.437 3.146 -9.629 1.00 0.00 C ATOM 179 O GLY A 277 6.755 3.532 -10.569 1.00 0.00 O ATOM 0 H GLY A 277 8.644 2.854 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 277 7.261 4.463 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 277 8.540 4.877 -9.104 1.00 0.00 H new ATOM 183 N THR A 278 7.676 1.869 -9.322 1.00 0.00 N ATOM 184 CA THR A 278 7.175 0.611 -9.846 1.00 0.00 C ATOM 185 C THR A 278 6.013 0.360 -8.916 1.00 0.00 C ATOM 186 O THR A 278 6.057 0.744 -7.744 1.00 0.00 O ATOM 187 CB THR A 278 8.166 -0.578 -9.784 1.00 0.00 C ATOM 188 OG1 THR A 278 8.886 -0.642 -8.557 1.00 0.00 O ATOM 189 CG2 THR A 278 9.213 -0.427 -10.901 1.00 0.00 C ATOM 0 H THR A 278 8.339 1.673 -8.572 1.00 0.00 H new ATOM 0 HA THR A 278 6.950 0.682 -10.910 1.00 0.00 H new ATOM 0 HB THR A 278 7.565 -1.481 -9.889 1.00 0.00 H new ATOM 0 HG1 THR A 278 9.848 -0.649 -8.742 1.00 0.00 H new ATOM 0 HG21 THR A 278 9.912 -1.262 -10.860 1.00 0.00 H new ATOM 0 HG22 THR A 278 8.713 -0.419 -11.870 1.00 0.00 H new ATOM 0 HG23 THR A 278 9.757 0.508 -10.766 1.00 0.00 H new ATOM 197 N LYS A 279 4.909 -0.248 -9.379 1.00 0.00 N ATOM 198 CA LYS A 279 3.778 -0.478 -8.498 1.00 0.00 C ATOM 199 C LYS A 279 3.664 -1.926 -8.166 1.00 0.00 C ATOM 200 O LYS A 279 4.116 -2.825 -8.870 1.00 0.00 O ATOM 201 CB LYS A 279 2.430 0.101 -9.019 1.00 0.00 C ATOM 202 CG LYS A 279 1.942 -0.419 -10.384 1.00 0.00 C ATOM 203 CD LYS A 279 2.216 0.563 -11.533 1.00 0.00 C ATOM 204 CE LYS A 279 1.892 -0.010 -12.919 1.00 0.00 C ATOM 205 NZ LYS A 279 0.455 -0.346 -13.046 1.00 0.00 N ATOM 0 H LYS A 279 4.786 -0.578 -10.336 1.00 0.00 H new ATOM 0 HA LYS A 279 3.985 0.082 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 279 1.659 -0.110 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 279 2.525 1.185 -9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 279 2.431 -1.369 -10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 279 0.871 -0.617 -10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 279 1.628 1.467 -11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 279 3.265 0.857 -11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 279 2.166 0.714 -13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 279 2.492 -0.903 -13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 279 0.264 -0.699 -14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 279 0.207 -1.080 -12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 279 -0.117 0.504 -12.870 1.00 0.00 H new ATOM 219 N LEU A 280 3.067 -2.125 -6.991 1.00 0.00 N ATOM 220 CA LEU A 280 2.914 -3.400 -6.340 1.00 0.00 C ATOM 221 C LEU A 280 1.472 -3.581 -6.049 1.00 0.00 C ATOM 222 O LEU A 280 0.617 -2.721 -6.218 1.00 0.00 O ATOM 223 CB LEU A 280 3.775 -3.471 -5.041 1.00 0.00 C ATOM 224 CG LEU A 280 5.044 -4.343 -5.175 1.00 0.00 C ATOM 225 CD1 LEU A 280 4.715 -5.831 -5.342 1.00 0.00 C ATOM 226 CD2 LEU A 280 5.948 -3.905 -6.333 1.00 0.00 C ATOM 0 H LEU A 280 2.663 -1.359 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 280 3.266 -4.204 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 280 4.069 -2.461 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 280 3.160 -3.864 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 280 5.581 -4.198 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 280 5.640 -6.400 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 280 4.157 -6.180 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 280 4.113 -5.972 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 280 6.823 -4.554 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 280 5.397 -3.974 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 280 6.268 -2.875 -6.175 1.00 0.00 H new ATOM 238 N THR A 281 1.184 -4.775 -5.554 1.00 0.00 N ATOM 239 CA THR A 281 -0.110 -5.143 -5.029 1.00 0.00 C ATOM 240 C THR A 281 0.178 -5.471 -3.582 1.00 0.00 C ATOM 241 O THR A 281 1.164 -6.136 -3.268 1.00 0.00 O ATOM 242 CB THR A 281 -0.714 -6.382 -5.734 1.00 0.00 C ATOM 243 OG1 THR A 281 -0.874 -6.175 -7.131 1.00 0.00 O ATOM 244 CG2 THR A 281 -2.093 -6.786 -5.177 1.00 0.00 C ATOM 0 H THR A 281 1.867 -5.531 -5.508 1.00 0.00 H new ATOM 0 HA THR A 281 -0.839 -4.345 -5.174 1.00 0.00 H new ATOM 0 HB THR A 281 0.005 -7.178 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 281 -1.256 -6.980 -7.539 1.00 0.00 H new ATOM 0 HG21 THR A 281 -2.460 -7.661 -5.714 1.00 0.00 H new ATOM 0 HG22 THR A 281 -2.002 -7.023 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 281 -2.793 -5.961 -5.306 1.00 0.00 H new ATOM 252 N GLY A 282 -0.715 -5.017 -2.679 1.00 0.00 N ATOM 253 CA GLY A 282 -0.690 -5.418 -1.268 1.00 0.00 C ATOM 254 C GLY A 282 -2.024 -5.238 -0.658 1.00 0.00 C ATOM 255 O GLY A 282 -2.952 -4.663 -1.224 1.00 0.00 O ATOM 0 H GLY A 282 -1.466 -4.367 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -0.383 -6.460 -1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 282 0.047 -4.824 -0.728 1.00 0.00 H new ATOM 259 N ARG A 283 -2.137 -5.779 0.566 1.00 0.00 N ATOM 260 CA ARG A 283 -3.371 -5.859 1.325 1.00 0.00 C ATOM 261 C ARG A 283 -3.212 -5.059 2.568 1.00 0.00 C ATOM 262 O ARG A 283 -2.188 -5.130 3.222 1.00 0.00 O ATOM 263 CB ARG A 283 -3.689 -7.336 1.660 1.00 0.00 C ATOM 264 CG ARG A 283 -5.138 -7.538 2.113 1.00 0.00 C ATOM 265 CD ARG A 283 -5.507 -8.968 2.531 1.00 0.00 C ATOM 266 NE ARG A 283 -5.553 -9.864 1.317 1.00 0.00 N ATOM 267 CZ ARG A 283 -6.704 -10.207 0.656 1.00 0.00 C ATOM 268 NH1 ARG A 283 -7.921 -9.739 1.058 1.00 0.00 N ATOM 269 NH2 ARG A 283 -6.627 -11.027 -0.435 1.00 0.00 N ATOM 0 H ARG A 283 -1.341 -6.182 1.060 1.00 0.00 H new ATOM 0 HA ARG A 283 -4.201 -5.461 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -3.497 -7.953 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -3.015 -7.680 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -5.334 -6.871 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -5.800 -7.233 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -4.776 -9.347 3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 283 -6.475 -8.971 3.033 1.00 0.00 H new ATOM 0 HE ARG A 283 -4.671 -10.238 0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 283 -7.988 -9.120 1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 283 -8.764 -10.008 0.550 1.00 0.00 H new ATOM 0 HH21 ARG A 283 -5.721 -11.376 -0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 283 -7.476 -11.290 -0.936 1.00 0.00 H new ATOM 283 N VAL A 284 -4.199 -4.238 2.947 1.00 0.00 N ATOM 284 CA VAL A 284 -4.076 -3.285 4.064 1.00 0.00 C ATOM 285 C VAL A 284 -4.444 -3.872 5.402 1.00 0.00 C ATOM 286 O VAL A 284 -5.462 -4.546 5.563 1.00 0.00 O ATOM 287 CB VAL A 284 -4.940 -2.041 3.820 1.00 0.00 C ATOM 288 CG1 VAL A 284 -4.752 -0.949 4.903 1.00 0.00 C ATOM 289 CG2 VAL A 284 -4.557 -1.494 2.433 1.00 0.00 C ATOM 0 H VAL A 284 -5.110 -4.214 2.488 1.00 0.00 H new ATOM 0 HA VAL A 284 -3.020 -3.018 4.099 1.00 0.00 H new ATOM 0 HB VAL A 284 -5.992 -2.322 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 284 -5.390 -0.095 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 284 -5.023 -1.353 5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 284 -3.710 -0.629 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 284 -5.149 -0.605 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 284 -3.498 -1.236 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 284 -4.752 -2.253 1.676 1.00 0.00 H new ATOM 299 N THR A 285 -3.559 -3.627 6.392 1.00 0.00 N ATOM 300 CA THR A 285 -3.675 -4.286 7.692 1.00 0.00 C ATOM 301 C THR A 285 -3.659 -3.410 8.939 1.00 0.00 C ATOM 302 O THR A 285 -4.284 -3.785 9.930 1.00 0.00 O ATOM 303 CB THR A 285 -2.748 -5.503 7.739 1.00 0.00 C ATOM 304 OG1 THR A 285 -3.245 -6.533 8.579 1.00 0.00 O ATOM 305 CG2 THR A 285 -1.300 -5.159 8.115 1.00 0.00 C ATOM 0 H THR A 285 -2.770 -2.986 6.310 1.00 0.00 H new ATOM 0 HA THR A 285 -4.708 -4.628 7.752 1.00 0.00 H new ATOM 0 HB THR A 285 -2.732 -5.876 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 285 -2.620 -7.288 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 285 -0.701 -6.070 8.129 1.00 0.00 H new ATOM 0 HG22 THR A 285 -0.889 -4.465 7.382 1.00 0.00 H new ATOM 0 HG23 THR A 285 -1.280 -4.697 9.102 1.00 0.00 H new ATOM 313 N ASN A 286 -2.923 -2.259 9.007 1.00 0.00 N ATOM 314 CA ASN A 286 -2.992 -1.423 10.225 1.00 0.00 C ATOM 315 C ASN A 286 -3.167 0.017 9.776 1.00 0.00 C ATOM 316 O ASN A 286 -3.063 0.286 8.588 1.00 0.00 O ATOM 317 CB ASN A 286 -1.810 -1.730 11.203 1.00 0.00 C ATOM 318 CG ASN A 286 -2.122 -1.392 12.669 1.00 0.00 C ATOM 319 OD1 ASN A 286 -3.072 -0.675 12.999 1.00 0.00 O ATOM 320 ND2 ASN A 286 -1.277 -1.924 13.590 1.00 0.00 N ATOM 0 H ASN A 286 -2.309 -1.911 8.270 1.00 0.00 H new ATOM 0 HA ASN A 286 -3.856 -1.658 10.847 1.00 0.00 H new ATOM 0 HB2 ASN A 286 -1.553 -2.787 11.129 1.00 0.00 H new ATOM 0 HB3 ASN A 286 -0.932 -1.166 10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 286 -1.419 -1.735 14.582 1.00 0.00 H new ATOM 0 HD22 ASN A 286 -0.500 -2.513 13.289 1.00 0.00 H new ATOM 327 N LEU A 287 -3.402 1.018 10.655 1.00 0.00 N ATOM 328 CA LEU A 287 -3.484 2.426 10.238 1.00 0.00 C ATOM 329 C LEU A 287 -2.462 3.294 10.917 1.00 0.00 C ATOM 330 O LEU A 287 -2.012 3.047 12.033 1.00 0.00 O ATOM 331 CB LEU A 287 -4.911 3.064 10.317 1.00 0.00 C ATOM 332 CG LEU A 287 -5.630 2.974 8.952 1.00 0.00 C ATOM 333 CD1 LEU A 287 -6.386 1.652 8.765 1.00 0.00 C ATOM 334 CD2 LEU A 287 -6.514 4.197 8.643 1.00 0.00 C ATOM 0 H LEU A 287 -3.537 0.871 11.655 1.00 0.00 H new ATOM 0 HA LEU A 287 -3.246 2.388 9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 287 -5.501 2.553 11.078 1.00 0.00 H new ATOM 0 HB3 LEU A 287 -4.831 4.107 10.623 1.00 0.00 H new ATOM 0 HG LEU A 287 -4.833 2.986 8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 287 -6.871 1.645 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 287 -5.685 0.820 8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 287 -7.140 1.550 9.546 1.00 0.00 H new ATOM 0 HD21 LEU A 287 -6.988 4.067 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 287 -7.282 4.294 9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 287 -5.899 5.097 8.629 1.00 0.00 H new ATOM 346 N THR A 288 -2.069 4.368 10.178 1.00 0.00 N ATOM 347 CA THR A 288 -1.148 5.409 10.625 1.00 0.00 C ATOM 348 C THR A 288 -1.965 6.688 10.744 1.00 0.00 C ATOM 349 O THR A 288 -3.147 6.732 10.408 1.00 0.00 O ATOM 350 CB THR A 288 0.076 5.600 9.714 1.00 0.00 C ATOM 351 OG1 THR A 288 0.343 4.432 8.952 1.00 0.00 O ATOM 352 CG2 THR A 288 1.338 5.889 10.550 1.00 0.00 C ATOM 0 H THR A 288 -2.405 4.522 9.227 1.00 0.00 H new ATOM 0 HA THR A 288 -0.715 5.116 11.581 1.00 0.00 H new ATOM 0 HB THR A 288 -0.156 6.436 9.055 1.00 0.00 H new ATOM 0 HG1 THR A 288 0.830 3.785 9.504 1.00 0.00 H new ATOM 0 HG21 THR A 288 2.192 6.021 9.886 1.00 0.00 H new ATOM 0 HG22 THR A 288 1.188 6.798 11.133 1.00 0.00 H new ATOM 0 HG23 THR A 288 1.528 5.053 11.223 1.00 0.00 H new ATOM 360 N ASP A 289 -1.334 7.806 11.186 1.00 0.00 N ATOM 361 CA ASP A 289 -1.903 9.157 11.325 1.00 0.00 C ATOM 362 C ASP A 289 -2.272 9.850 10.005 1.00 0.00 C ATOM 363 O ASP A 289 -3.193 10.660 9.936 1.00 0.00 O ATOM 364 CB ASP A 289 -0.944 10.087 12.142 1.00 0.00 C ATOM 365 CG ASP A 289 0.547 9.758 11.944 1.00 0.00 C ATOM 366 OD1 ASP A 289 1.053 9.922 10.804 1.00 0.00 O ATOM 367 OD2 ASP A 289 1.193 9.339 12.942 1.00 0.00 O ATOM 0 H ASP A 289 -0.355 7.779 11.470 1.00 0.00 H new ATOM 0 HA ASP A 289 -2.840 8.999 11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 289 -1.121 11.123 11.852 1.00 0.00 H new ATOM 0 HB3 ASP A 289 -1.188 10.007 13.201 1.00 0.00 H new ATOM 372 N TYR A 290 -1.537 9.493 8.931 1.00 0.00 N ATOM 373 CA TYR A 290 -1.752 9.958 7.585 1.00 0.00 C ATOM 374 C TYR A 290 -1.322 8.901 6.612 1.00 0.00 C ATOM 375 O TYR A 290 -0.783 9.135 5.528 1.00 0.00 O ATOM 376 CB TYR A 290 -1.212 11.401 7.289 1.00 0.00 C ATOM 377 CG TYR A 290 0.129 11.716 7.929 1.00 0.00 C ATOM 378 CD1 TYR A 290 1.289 11.060 7.550 1.00 0.00 C ATOM 379 CD2 TYR A 290 0.224 12.706 8.895 1.00 0.00 C ATOM 380 CE1 TYR A 290 2.503 11.373 8.131 1.00 0.00 C ATOM 381 CE2 TYR A 290 1.440 13.035 9.463 1.00 0.00 C ATOM 382 CZ TYR A 290 2.585 12.369 9.077 1.00 0.00 C ATOM 383 OH TYR A 290 3.840 12.691 9.638 1.00 0.00 O ATOM 0 H TYR A 290 -0.751 8.846 9.003 1.00 0.00 H new ATOM 0 HA TYR A 290 -2.824 10.106 7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 290 -1.124 11.528 6.210 1.00 0.00 H new ATOM 0 HB3 TYR A 290 -1.946 12.128 7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 290 1.244 10.294 6.790 1.00 0.00 H new ATOM 0 HD2 TYR A 290 -0.667 13.229 9.209 1.00 0.00 H new ATOM 0 HE1 TYR A 290 3.392 10.833 7.841 1.00 0.00 H new ATOM 0 HE2 TYR A 290 1.494 13.814 10.209 1.00 0.00 H new ATOM 0 HH TYR A 290 3.731 13.415 10.289 1.00 0.00 H new ATOM 393 N GLY A 291 -1.707 7.657 6.954 1.00 0.00 N ATOM 394 CA GLY A 291 -1.650 6.599 5.979 1.00 0.00 C ATOM 395 C GLY A 291 -2.169 5.384 6.619 1.00 0.00 C ATOM 396 O GLY A 291 -2.734 5.390 7.708 1.00 0.00 O ATOM 0 H GLY A 291 -2.049 7.384 7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 291 -2.244 6.854 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 291 -0.626 6.446 5.638 1.00 0.00 H new ATOM 400 N CYS A 292 -2.010 4.271 5.920 1.00 0.00 N ATOM 401 CA CYS A 292 -2.443 2.969 6.369 1.00 0.00 C ATOM 402 C CYS A 292 -1.291 2.046 6.077 1.00 0.00 C ATOM 403 O CYS A 292 -0.583 2.231 5.090 1.00 0.00 O ATOM 404 CB CYS A 292 -3.783 2.483 5.720 1.00 0.00 C ATOM 405 SG CYS A 292 -5.004 3.805 5.407 1.00 0.00 S ATOM 0 H CYS A 292 -1.564 4.254 5.003 1.00 0.00 H new ATOM 0 HA CYS A 292 -2.686 2.994 7.431 1.00 0.00 H new ATOM 0 HB2 CYS A 292 -3.555 1.987 4.776 1.00 0.00 H new ATOM 0 HB3 CYS A 292 -4.236 1.736 6.371 1.00 0.00 H new ATOM 0 HG CYS A 292 -6.141 3.274 5.069 1.00 0.00 H new ATOM 411 N PHE A 293 -1.053 0.997 6.900 1.00 0.00 N ATOM 412 CA PHE A 293 0.043 0.065 6.651 1.00 0.00 C ATOM 413 C PHE A 293 -0.468 -1.081 5.807 1.00 0.00 C ATOM 414 O PHE A 293 -1.465 -1.729 6.155 1.00 0.00 O ATOM 415 CB PHE A 293 0.659 -0.513 7.957 1.00 0.00 C ATOM 416 CG PHE A 293 1.347 0.569 8.735 1.00 0.00 C ATOM 417 CD1 PHE A 293 2.559 1.056 8.285 1.00 0.00 C ATOM 418 CD2 PHE A 293 0.823 1.069 9.917 1.00 0.00 C ATOM 419 CE1 PHE A 293 3.235 2.025 8.996 1.00 0.00 C ATOM 420 CE2 PHE A 293 1.509 2.017 10.646 1.00 0.00 C ATOM 421 CZ PHE A 293 2.716 2.499 10.183 1.00 0.00 C ATOM 0 H PHE A 293 -1.606 0.787 7.731 1.00 0.00 H new ATOM 0 HA PHE A 293 0.828 0.622 6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 293 -0.123 -0.966 8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 293 1.370 -1.302 7.713 1.00 0.00 H new ATOM 0 HD1 PHE A 293 2.981 0.674 7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 293 -0.133 0.712 10.271 1.00 0.00 H new ATOM 0 HE1 PHE A 293 4.171 2.413 8.623 1.00 0.00 H new ATOM 0 HE2 PHE A 293 1.102 2.382 11.578 1.00 0.00 H new ATOM 0 HZ PHE A 293 3.253 3.246 10.749 1.00 0.00 H new ATOM 431 N VAL A 294 0.243 -1.317 4.676 1.00 0.00 N ATOM 432 CA VAL A 294 -0.066 -2.300 3.676 1.00 0.00 C ATOM 433 C VAL A 294 0.816 -3.479 3.950 1.00 0.00 C ATOM 434 O VAL A 294 1.997 -3.327 4.222 1.00 0.00 O ATOM 435 CB VAL A 294 0.259 -1.792 2.257 1.00 0.00 C ATOM 436 CG1 VAL A 294 -0.396 -2.729 1.224 1.00 0.00 C ATOM 437 CG2 VAL A 294 -0.215 -0.345 2.052 1.00 0.00 C ATOM 0 H VAL A 294 1.084 -0.786 4.451 1.00 0.00 H new ATOM 0 HA VAL A 294 -1.129 -2.538 3.719 1.00 0.00 H new ATOM 0 HB VAL A 294 1.341 -1.797 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 294 -0.170 -2.376 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 294 -0.006 -3.739 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 294 -1.476 -2.736 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 294 0.031 -0.021 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 294 -1.294 -0.291 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 294 0.281 0.306 2.772 1.00 0.00 H new ATOM 447 N GLU A 295 0.297 -4.698 3.850 1.00 0.00 N ATOM 448 CA GLU A 295 1.190 -5.856 3.867 1.00 0.00 C ATOM 449 C GLU A 295 1.393 -6.319 2.422 1.00 0.00 C ATOM 450 O GLU A 295 0.421 -6.585 1.715 1.00 0.00 O ATOM 451 CB GLU A 295 0.662 -7.002 4.760 1.00 0.00 C ATOM 452 CG GLU A 295 1.787 -7.988 5.113 1.00 0.00 C ATOM 453 CD GLU A 295 1.208 -9.248 5.749 1.00 0.00 C ATOM 454 OE1 GLU A 295 0.397 -9.935 5.072 1.00 0.00 O ATOM 455 OE2 GLU A 295 1.576 -9.547 6.917 1.00 0.00 O ATOM 0 H GLU A 295 -0.697 -4.909 3.760 1.00 0.00 H new ATOM 0 HA GLU A 295 2.143 -5.563 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 295 0.236 -6.589 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 295 -0.140 -7.530 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 295 2.345 -8.250 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 295 2.491 -7.517 5.799 1.00 0.00 H new ATOM 462 N ILE A 296 2.664 -6.410 1.924 1.00 0.00 N ATOM 463 CA ILE A 296 2.925 -6.840 0.510 1.00 0.00 C ATOM 464 C ILE A 296 2.526 -8.269 0.159 1.00 0.00 C ATOM 465 O ILE A 296 1.604 -8.576 -0.585 1.00 0.00 O ATOM 466 CB ILE A 296 4.347 -6.606 -0.037 1.00 0.00 C ATOM 467 CG1 ILE A 296 5.005 -5.380 0.621 1.00 0.00 C ATOM 468 CG2 ILE A 296 4.264 -6.472 -1.587 1.00 0.00 C ATOM 469 CD1 ILE A 296 6.221 -4.865 -0.135 1.00 0.00 C ATOM 0 H ILE A 296 3.504 -6.198 2.463 1.00 0.00 H new ATOM 0 HA ILE A 296 2.247 -6.146 0.013 1.00 0.00 H new ATOM 0 HB ILE A 296 4.984 -7.455 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 296 4.269 -4.580 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 296 5.302 -5.639 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 296 5.262 -6.306 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 296 3.849 -7.387 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 296 3.623 -5.629 -1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 296 6.634 -4.001 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 296 6.975 -5.650 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 296 5.926 -4.575 -1.144 1.00 0.00 H new ATOM 481 N GLU A 297 3.299 -9.116 0.794 1.00 0.00 N ATOM 482 CA GLU A 297 3.300 -10.557 0.855 1.00 0.00 C ATOM 483 C GLU A 297 3.469 -10.720 2.321 1.00 0.00 C ATOM 484 O GLU A 297 3.888 -9.775 2.996 1.00 0.00 O ATOM 485 CB GLU A 297 4.478 -11.210 0.074 1.00 0.00 C ATOM 486 CG GLU A 297 4.408 -11.011 -1.455 1.00 0.00 C ATOM 487 CD GLU A 297 3.136 -11.639 -2.023 1.00 0.00 C ATOM 488 OE1 GLU A 297 2.964 -12.877 -1.867 1.00 0.00 O ATOM 489 OE2 GLU A 297 2.321 -10.888 -2.625 1.00 0.00 O ATOM 0 H GLU A 297 4.059 -8.750 1.368 1.00 0.00 H new ATOM 0 HA GLU A 297 2.425 -11.030 0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 297 5.417 -10.795 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 297 4.495 -12.278 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 297 4.430 -9.947 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 297 5.283 -11.460 -1.926 1.00 0.00 H new ATOM 496 N GLU A 298 3.149 -11.906 2.884 1.00 0.00 N ATOM 497 CA GLU A 298 3.242 -12.116 4.327 1.00 0.00 C ATOM 498 C GLU A 298 4.680 -12.011 4.917 1.00 0.00 C ATOM 499 O GLU A 298 5.588 -12.751 4.553 1.00 0.00 O ATOM 500 CB GLU A 298 2.507 -13.431 4.739 1.00 0.00 C ATOM 501 CG GLU A 298 2.719 -14.684 3.854 1.00 0.00 C ATOM 502 CD GLU A 298 4.098 -15.317 4.040 1.00 0.00 C ATOM 503 OE1 GLU A 298 4.410 -15.734 5.187 1.00 0.00 O ATOM 504 OE2 GLU A 298 4.853 -15.398 3.034 1.00 0.00 O ATOM 0 H GLU A 298 2.828 -12.719 2.358 1.00 0.00 H new ATOM 0 HA GLU A 298 2.724 -11.275 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 298 2.814 -13.682 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 298 1.438 -13.221 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 298 1.952 -15.422 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 298 2.589 -14.410 2.807 1.00 0.00 H new ATOM 511 N GLY A 299 4.884 -11.044 5.857 1.00 0.00 N ATOM 512 CA GLY A 299 6.142 -10.792 6.557 1.00 0.00 C ATOM 513 C GLY A 299 6.924 -9.596 6.110 1.00 0.00 C ATOM 514 O GLY A 299 7.863 -9.165 6.765 1.00 0.00 O ATOM 0 H GLY A 299 4.142 -10.407 6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 299 5.926 -10.681 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 299 6.775 -11.673 6.451 1.00 0.00 H new ATOM 518 N VAL A 300 6.536 -9.012 4.974 1.00 0.00 N ATOM 519 CA VAL A 300 7.078 -7.778 4.395 1.00 0.00 C ATOM 520 C VAL A 300 5.942 -6.772 4.355 1.00 0.00 C ATOM 521 O VAL A 300 4.785 -7.130 4.145 1.00 0.00 O ATOM 522 CB VAL A 300 7.856 -7.978 3.087 1.00 0.00 C ATOM 523 CG1 VAL A 300 7.057 -8.804 2.068 1.00 0.00 C ATOM 524 CG2 VAL A 300 8.335 -6.648 2.490 1.00 0.00 C ATOM 0 H VAL A 300 5.793 -9.410 4.400 1.00 0.00 H new ATOM 0 HA VAL A 300 7.872 -7.376 5.024 1.00 0.00 H new ATOM 0 HB VAL A 300 8.749 -8.551 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 300 7.643 -8.923 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 300 6.837 -9.785 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 300 6.124 -8.291 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 300 8.880 -6.839 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 300 7.475 -6.013 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 300 8.991 -6.145 3.201 1.00 0.00 H new ATOM 534 N GLU A 301 6.220 -5.467 4.581 1.00 0.00 N ATOM 535 CA GLU A 301 5.178 -4.468 4.666 1.00 0.00 C ATOM 536 C GLU A 301 5.559 -3.194 3.968 1.00 0.00 C ATOM 537 O GLU A 301 6.734 -2.833 3.854 1.00 0.00 O ATOM 538 CB GLU A 301 4.823 -4.142 6.145 1.00 0.00 C ATOM 539 CG GLU A 301 6.048 -3.932 7.059 1.00 0.00 C ATOM 540 CD GLU A 301 5.593 -3.401 8.419 1.00 0.00 C ATOM 541 OE1 GLU A 301 5.042 -2.268 8.456 1.00 0.00 O ATOM 542 OE2 GLU A 301 5.792 -4.118 9.435 1.00 0.00 O ATOM 0 H GLU A 301 7.164 -5.101 4.705 1.00 0.00 H new ATOM 0 HA GLU A 301 4.308 -4.896 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 301 4.208 -3.243 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 301 4.218 -4.954 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 301 6.584 -4.872 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 301 6.742 -3.229 6.597 1.00 0.00 H new ATOM 549 N GLY A 302 4.461 -2.495 3.574 1.00 0.00 N ATOM 550 CA GLY A 302 4.339 -1.123 3.043 1.00 0.00 C ATOM 551 C GLY A 302 3.468 -0.147 3.814 1.00 0.00 C ATOM 552 O GLY A 302 2.846 -0.443 4.827 1.00 0.00 O ATOM 0 H GLY A 302 3.542 -2.934 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 302 5.341 -0.698 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 302 3.951 -1.189 2.026 1.00 0.00 H new ATOM 556 N LEU A 303 3.483 1.118 3.340 1.00 0.00 N ATOM 557 CA LEU A 303 2.709 2.275 3.848 1.00 0.00 C ATOM 558 C LEU A 303 1.931 2.958 2.752 1.00 0.00 C ATOM 559 O LEU A 303 2.513 3.577 1.864 1.00 0.00 O ATOM 560 CB LEU A 303 3.609 3.368 4.507 1.00 0.00 C ATOM 561 CG LEU A 303 2.982 4.750 4.883 1.00 0.00 C ATOM 562 CD1 LEU A 303 1.898 4.647 5.962 1.00 0.00 C ATOM 563 CD2 LEU A 303 4.083 5.716 5.360 1.00 0.00 C ATOM 0 H LEU A 303 4.070 1.375 2.546 1.00 0.00 H new ATOM 0 HA LEU A 303 2.039 1.847 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 303 4.030 2.941 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 303 4.441 3.559 3.830 1.00 0.00 H new ATOM 0 HG LEU A 303 2.504 5.129 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 303 1.503 5.640 6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 303 1.092 4.005 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 303 2.327 4.222 6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 303 3.637 6.676 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 303 4.580 5.298 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 303 4.812 5.859 4.563 1.00 0.00 H new ATOM 575 N VAL A 304 0.575 2.957 2.816 1.00 0.00 N ATOM 576 CA VAL A 304 -0.267 3.690 1.849 1.00 0.00 C ATOM 577 C VAL A 304 -0.542 5.054 2.405 1.00 0.00 C ATOM 578 O VAL A 304 -1.313 5.184 3.347 1.00 0.00 O ATOM 579 CB VAL A 304 -1.511 2.975 1.279 1.00 0.00 C ATOM 580 CG1 VAL A 304 -2.463 2.466 2.384 1.00 0.00 C ATOM 581 CG2 VAL A 304 -2.243 3.865 0.233 1.00 0.00 C ATOM 0 H VAL A 304 0.046 2.455 3.529 1.00 0.00 H new ATOM 0 HA VAL A 304 0.318 3.759 0.932 1.00 0.00 H new ATOM 0 HB VAL A 304 -1.157 2.085 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 304 -3.320 1.972 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 304 -1.934 1.758 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 304 -2.807 3.308 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 304 -3.115 3.334 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 304 -2.563 4.794 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 304 -1.565 4.091 -0.590 1.00 0.00 H new ATOM 591 N HIS A 305 0.154 6.093 1.853 1.00 0.00 N ATOM 592 CA HIS A 305 0.070 7.498 2.305 1.00 0.00 C ATOM 593 C HIS A 305 -1.279 8.160 1.966 1.00 0.00 C ATOM 594 O HIS A 305 -1.695 8.133 0.809 1.00 0.00 O ATOM 595 CB HIS A 305 1.231 8.368 1.695 1.00 0.00 C ATOM 596 CG HIS A 305 2.484 8.523 2.531 1.00 0.00 C ATOM 597 ND1 HIS A 305 2.483 8.881 3.862 1.00 0.00 N ATOM 598 CD2 HIS A 305 3.797 8.535 2.154 1.00 0.00 C ATOM 599 CE1 HIS A 305 3.779 9.070 4.226 1.00 0.00 C ATOM 600 NE2 HIS A 305 4.611 8.880 3.223 1.00 0.00 N ATOM 0 H HIS A 305 0.796 5.965 1.071 1.00 0.00 H new ATOM 0 HA HIS A 305 0.166 7.460 3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 305 1.514 7.932 0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 305 0.836 9.363 1.488 1.00 0.00 H new ATOM 0 HD2 HIS A 305 4.153 8.307 1.160 1.00 0.00 H new ATOM 0 HE1 HIS A 305 4.091 9.344 5.223 1.00 0.00 H new ATOM 0 HE2 HIS A 305 5.627 8.967 3.230 1.00 0.00 H new ATOM 608 N VAL A 306 -1.997 8.814 2.941 1.00 0.00 N ATOM 609 CA VAL A 306 -3.309 9.516 2.754 1.00 0.00 C ATOM 610 C VAL A 306 -3.386 10.576 1.618 1.00 0.00 C ATOM 611 O VAL A 306 -4.437 10.905 1.081 1.00 0.00 O ATOM 612 CB VAL A 306 -3.841 10.034 4.112 1.00 0.00 C ATOM 613 CG1 VAL A 306 -4.729 11.302 4.073 1.00 0.00 C ATOM 614 CG2 VAL A 306 -4.608 8.884 4.806 1.00 0.00 C ATOM 0 H VAL A 306 -1.665 8.866 3.904 1.00 0.00 H new ATOM 0 HA VAL A 306 -3.983 8.749 2.373 1.00 0.00 H new ATOM 0 HB VAL A 306 -2.957 10.350 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -5.037 11.562 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -4.164 12.129 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -5.612 11.109 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -4.991 9.230 5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -5.439 8.569 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -3.935 8.042 4.966 1.00 0.00 H new ATOM 866 N VAL A 322 -9.714 2.757 0.742 1.00 0.00 N ATOM 867 CA VAL A 322 -8.850 1.985 1.639 1.00 0.00 C ATOM 868 C VAL A 322 -9.673 1.628 2.865 1.00 0.00 C ATOM 869 O VAL A 322 -10.090 2.487 3.635 1.00 0.00 O ATOM 870 CB VAL A 322 -7.549 2.671 2.098 1.00 0.00 C ATOM 871 CG1 VAL A 322 -6.679 1.691 2.937 1.00 0.00 C ATOM 872 CG2 VAL A 322 -6.783 3.135 0.853 1.00 0.00 C ATOM 0 HA VAL A 322 -8.514 1.123 1.063 1.00 0.00 H new ATOM 0 HB VAL A 322 -7.786 3.527 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -5.765 2.194 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -7.238 1.370 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -6.424 0.821 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -5.857 3.624 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -6.550 2.274 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -7.397 3.838 0.289 1.00 0.00 H new ATOM 882 N ASN A 323 -9.895 0.315 3.080 1.00 0.00 N ATOM 883 CA ASN A 323 -10.553 -0.270 4.231 1.00 0.00 C ATOM 884 C ASN A 323 -9.505 -1.181 4.814 1.00 0.00 C ATOM 885 O ASN A 323 -8.590 -1.658 4.143 1.00 0.00 O ATOM 886 CB ASN A 323 -11.887 -0.985 3.824 1.00 0.00 C ATOM 887 CG ASN A 323 -12.697 -1.531 5.010 1.00 0.00 C ATOM 888 OD1 ASN A 323 -12.521 -1.119 6.159 1.00 0.00 O ATOM 889 ND2 ASN A 323 -13.601 -2.504 4.723 1.00 0.00 N ATOM 0 H ASN A 323 -9.597 -0.392 2.408 1.00 0.00 H new ATOM 0 HA ASN A 323 -10.884 0.459 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -12.507 -0.282 3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -11.653 -1.808 3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -14.160 -2.917 5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -13.721 -2.821 3.761 1.00 0.00 H new ATOM 896 N VAL A 324 -9.643 -1.450 6.125 1.00 0.00 N ATOM 897 CA VAL A 324 -8.779 -2.339 6.908 1.00 0.00 C ATOM 898 C VAL A 324 -9.159 -3.805 6.646 1.00 0.00 C ATOM 899 O VAL A 324 -10.308 -4.214 6.806 1.00 0.00 O ATOM 900 CB VAL A 324 -8.755 -1.928 8.394 1.00 0.00 C ATOM 901 CG1 VAL A 324 -10.154 -1.984 9.047 1.00 0.00 C ATOM 902 CG2 VAL A 324 -7.696 -2.713 9.204 1.00 0.00 C ATOM 0 H VAL A 324 -10.389 -1.036 6.685 1.00 0.00 H new ATOM 0 HA VAL A 324 -7.744 -2.237 6.581 1.00 0.00 H new ATOM 0 HB VAL A 324 -8.449 -0.882 8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 324 -10.080 -1.685 10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 324 -10.828 -1.306 8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 324 -10.543 -3.000 8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 324 -7.719 -2.387 10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 324 -7.916 -3.779 9.153 1.00 0.00 H new ATOM 0 HG23 VAL A 324 -6.707 -2.526 8.787 1.00 0.00 H new ATOM 912 N GLY A 325 -8.183 -4.620 6.158 1.00 0.00 N ATOM 913 CA GLY A 325 -8.356 -6.017 5.733 1.00 0.00 C ATOM 914 C GLY A 325 -8.762 -6.175 4.285 1.00 0.00 C ATOM 915 O GLY A 325 -9.357 -7.171 3.883 1.00 0.00 O ATOM 0 H GLY A 325 -7.221 -4.299 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -7.422 -6.554 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.110 -6.487 6.364 1.00 0.00 H new ATOM 919 N ASP A 326 -8.455 -5.163 3.444 1.00 0.00 N ATOM 920 CA ASP A 326 -8.813 -5.124 2.027 1.00 0.00 C ATOM 921 C ASP A 326 -7.579 -4.936 1.166 1.00 0.00 C ATOM 922 O ASP A 326 -6.614 -4.266 1.541 1.00 0.00 O ATOM 923 CB ASP A 326 -9.854 -4.012 1.700 1.00 0.00 C ATOM 924 CG ASP A 326 -11.244 -4.417 2.208 1.00 0.00 C ATOM 925 OD1 ASP A 326 -11.446 -4.452 3.451 1.00 0.00 O ATOM 926 OD2 ASP A 326 -12.127 -4.692 1.351 1.00 0.00 O ATOM 0 H ASP A 326 -7.940 -4.337 3.748 1.00 0.00 H new ATOM 0 HA ASP A 326 -9.275 -6.085 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 326 -9.550 -3.073 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 326 -9.888 -3.842 0.624 1.00 0.00 H new ATOM 931 N VAL A 327 -7.602 -5.560 -0.040 1.00 0.00 N ATOM 932 CA VAL A 327 -6.518 -5.552 -1.018 1.00 0.00 C ATOM 933 C VAL A 327 -6.667 -4.423 -2.034 1.00 0.00 C ATOM 934 O VAL A 327 -7.756 -4.089 -2.502 1.00 0.00 O ATOM 935 CB VAL A 327 -6.220 -6.959 -1.568 1.00 0.00 C ATOM 936 CG1 VAL A 327 -7.473 -7.691 -2.053 1.00 0.00 C ATOM 937 CG2 VAL A 327 -5.083 -6.997 -2.605 1.00 0.00 C ATOM 0 H VAL A 327 -8.410 -6.097 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 327 -5.589 -5.294 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 327 -5.848 -7.516 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -7.196 -8.676 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -8.173 -7.802 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -7.943 -7.117 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -4.934 -8.022 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -5.345 -6.368 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -4.164 -6.628 -2.151 1.00 0.00 H new ATOM 947 N VAL A 328 -5.507 -3.782 -2.350 1.00 0.00 N ATOM 948 CA VAL A 328 -5.295 -2.620 -3.233 1.00 0.00 C ATOM 949 C VAL A 328 -4.021 -2.829 -4.016 1.00 0.00 C ATOM 950 O VAL A 328 -3.282 -3.801 -3.892 1.00 0.00 O ATOM 951 CB VAL A 328 -5.289 -1.242 -2.524 1.00 0.00 C ATOM 952 CG1 VAL A 328 -6.737 -0.842 -2.156 1.00 0.00 C ATOM 953 CG2 VAL A 328 -4.370 -1.229 -1.283 1.00 0.00 C ATOM 0 H VAL A 328 -4.623 -4.101 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 328 -6.160 -2.574 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 328 -4.880 -0.505 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -6.731 0.127 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -7.339 -0.780 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -7.163 -1.591 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -4.398 -0.243 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -4.714 -1.976 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -3.348 -1.459 -1.585 1.00 0.00 H new ATOM 963 N GLU A 329 -3.739 -1.831 -4.864 1.00 0.00 N ATOM 964 CA GLU A 329 -2.520 -1.710 -5.651 1.00 0.00 C ATOM 965 C GLU A 329 -1.852 -0.543 -5.007 1.00 0.00 C ATOM 966 O GLU A 329 -2.556 0.368 -4.570 1.00 0.00 O ATOM 967 CB GLU A 329 -2.862 -1.469 -7.145 1.00 0.00 C ATOM 968 CG GLU A 329 -1.667 -1.181 -8.065 1.00 0.00 C ATOM 969 CD GLU A 329 -2.133 -1.057 -9.515 1.00 0.00 C ATOM 970 OE1 GLU A 329 -2.661 -2.064 -10.057 1.00 0.00 O ATOM 971 OE2 GLU A 329 -1.964 0.046 -10.100 1.00 0.00 O ATOM 0 H GLU A 329 -4.385 -1.058 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 329 -1.887 -2.597 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 329 -3.386 -2.346 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 329 -3.556 -0.631 -7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 329 -1.174 -0.260 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 329 -0.932 -1.981 -7.979 1.00 0.00 H new ATOM 978 N VAL A 330 -0.508 -0.601 -4.849 1.00 0.00 N ATOM 979 CA VAL A 330 0.191 0.382 -4.011 1.00 0.00 C ATOM 980 C VAL A 330 1.487 0.564 -4.735 1.00 0.00 C ATOM 981 O VAL A 330 2.022 -0.404 -5.236 1.00 0.00 O ATOM 982 CB VAL A 330 0.355 -0.182 -2.575 1.00 0.00 C ATOM 983 CG1 VAL A 330 -0.965 -0.088 -1.770 1.00 0.00 C ATOM 984 CG2 VAL A 330 0.832 -1.659 -2.596 1.00 0.00 C ATOM 0 H VAL A 330 0.094 -1.302 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 330 -0.326 1.332 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 330 1.112 0.432 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 330 -0.811 -0.493 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 330 -1.273 0.955 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 330 -1.742 -0.660 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 330 0.936 -2.022 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 330 0.101 -2.270 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 330 1.794 -1.723 -3.104 1.00 0.00 H new ATOM 994 N MET A 331 2.048 1.786 -4.866 1.00 0.00 N ATOM 995 CA MET A 331 3.247 2.042 -5.674 1.00 0.00 C ATOM 996 C MET A 331 4.398 2.226 -4.756 1.00 0.00 C ATOM 997 O MET A 331 4.230 2.811 -3.698 1.00 0.00 O ATOM 998 CB MET A 331 3.052 3.317 -6.539 1.00 0.00 C ATOM 999 CG MET A 331 4.151 3.564 -7.590 1.00 0.00 C ATOM 1000 SD MET A 331 3.776 4.925 -8.732 1.00 0.00 S ATOM 1001 CE MET A 331 4.134 6.286 -7.583 1.00 0.00 C ATOM 0 H MET A 331 1.677 2.620 -4.411 1.00 0.00 H new ATOM 0 HA MET A 331 3.429 1.200 -6.342 1.00 0.00 H new ATOM 0 HB2 MET A 331 2.091 3.249 -7.049 1.00 0.00 H new ATOM 0 HB3 MET A 331 3.001 4.182 -5.878 1.00 0.00 H new ATOM 0 HG2 MET A 331 5.089 3.779 -7.078 1.00 0.00 H new ATOM 0 HG3 MET A 331 4.303 2.651 -8.165 1.00 0.00 H new ATOM 0 HE1 MET A 331 3.249 6.913 -7.475 1.00 0.00 H new ATOM 0 HE2 MET A 331 4.410 5.878 -6.611 1.00 0.00 H new ATOM 0 HE3 MET A 331 4.957 6.884 -7.973 1.00 0.00 H new ATOM 1011 N VAL A 332 5.590 1.656 -5.089 1.00 0.00 N ATOM 1012 CA VAL A 332 6.682 1.526 -4.115 1.00 0.00 C ATOM 1013 C VAL A 332 7.505 2.753 -3.785 1.00 0.00 C ATOM 1014 O VAL A 332 8.014 3.433 -4.667 1.00 0.00 O ATOM 1015 CB VAL A 332 7.583 0.319 -4.449 1.00 0.00 C ATOM 1016 CG1 VAL A 332 6.730 -0.878 -4.923 1.00 0.00 C ATOM 1017 CG2 VAL A 332 8.725 0.607 -5.453 1.00 0.00 C ATOM 0 H VAL A 332 5.806 1.287 -6.015 1.00 0.00 H new ATOM 0 HA VAL A 332 6.141 1.362 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 332 8.087 0.074 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 332 7.382 -1.720 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 332 6.034 -1.164 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 332 6.171 -0.596 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 332 9.300 -0.304 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 332 8.302 0.948 -6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 332 9.379 1.379 -5.048 1.00 0.00 H new ATOM 1027 N LEU A 333 7.665 3.078 -2.471 1.00 0.00 N ATOM 1028 CA LEU A 333 8.397 4.186 -1.966 1.00 0.00 C ATOM 1029 C LEU A 333 9.368 3.457 -1.051 1.00 0.00 C ATOM 1030 O LEU A 333 9.987 2.467 -1.401 1.00 0.00 O ATOM 1031 CB LEU A 333 7.593 5.345 -1.247 1.00 0.00 C ATOM 1032 CG LEU A 333 6.399 6.041 -1.980 1.00 0.00 C ATOM 1033 CD1 LEU A 333 6.638 6.374 -3.468 1.00 0.00 C ATOM 1034 CD2 LEU A 333 5.054 5.313 -1.777 1.00 0.00 C ATOM 0 H LEU A 333 7.248 2.518 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 333 8.835 4.786 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 333 7.207 4.940 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 333 8.310 6.123 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 333 6.335 7.007 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 333 5.750 6.853 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 333 7.489 7.049 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 333 6.843 5.456 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 333 4.267 5.846 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 333 5.129 4.296 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 333 4.814 5.281 -0.714 1.00 0.00 H new ATOM 1046 N ASP A 334 9.533 3.896 0.180 1.00 0.00 N ATOM 1047 CA ASP A 334 10.703 3.680 1.057 1.00 0.00 C ATOM 1048 C ASP A 334 11.275 2.320 1.404 1.00 0.00 C ATOM 1049 O ASP A 334 10.656 1.520 2.086 1.00 0.00 O ATOM 1050 CB ASP A 334 10.702 4.587 2.324 1.00 0.00 C ATOM 1051 CG ASP A 334 10.367 6.031 1.943 1.00 0.00 C ATOM 1052 OD1 ASP A 334 11.168 6.646 1.189 1.00 0.00 O ATOM 1053 OD2 ASP A 334 9.306 6.536 2.398 1.00 0.00 O ATOM 0 H ASP A 334 8.813 4.453 0.641 1.00 0.00 H new ATOM 0 HA ASP A 334 11.416 3.971 0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 334 9.974 4.216 3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 334 11.678 4.548 2.808 1.00 0.00 H new ATOM 1058 N ILE A 335 12.513 2.051 0.919 1.00 0.00 N ATOM 1059 CA ILE A 335 13.201 0.777 1.046 1.00 0.00 C ATOM 1060 C ILE A 335 14.341 0.724 2.056 1.00 0.00 C ATOM 1061 O ILE A 335 15.266 1.529 2.027 1.00 0.00 O ATOM 1062 CB ILE A 335 13.670 0.338 -0.346 1.00 0.00 C ATOM 1063 CG1 ILE A 335 14.206 -1.109 -0.460 1.00 0.00 C ATOM 1064 CG2 ILE A 335 14.711 1.315 -0.952 1.00 0.00 C ATOM 1065 CD1 ILE A 335 13.359 -2.193 0.194 1.00 0.00 C ATOM 0 H ILE A 335 13.062 2.748 0.416 1.00 0.00 H new ATOM 0 HA ILE A 335 12.473 0.081 1.463 1.00 0.00 H new ATOM 0 HB ILE A 335 12.745 0.363 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 335 14.316 -1.351 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 335 15.203 -1.141 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 335 15.012 0.960 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 335 14.269 2.307 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 335 15.585 1.365 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 335 13.834 -3.163 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 335 13.268 -1.989 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 335 12.368 -2.203 -0.259 1.00 0.00 H new ATOM 1077 N ASP A 336 14.306 -0.306 2.937 1.00 0.00 N ATOM 1078 CA ASP A 336 15.373 -0.671 3.851 1.00 0.00 C ATOM 1079 C ASP A 336 15.331 -2.173 3.945 1.00 0.00 C ATOM 1080 O ASP A 336 14.334 -2.730 4.396 1.00 0.00 O ATOM 1081 CB ASP A 336 15.189 -0.049 5.265 1.00 0.00 C ATOM 1082 CG ASP A 336 15.735 1.379 5.288 1.00 0.00 C ATOM 1083 OD1 ASP A 336 16.969 1.540 5.085 1.00 0.00 O ATOM 1084 OD2 ASP A 336 14.933 2.323 5.514 1.00 0.00 O ATOM 0 H ASP A 336 13.494 -0.918 3.019 1.00 0.00 H new ATOM 0 HA ASP A 336 16.327 -0.296 3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 336 14.133 -0.047 5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 336 15.707 -0.656 6.008 1.00 0.00 H new ATOM 1089 N GLU A 337 16.434 -2.870 3.535 1.00 0.00 N ATOM 1090 CA GLU A 337 16.570 -4.341 3.562 1.00 0.00 C ATOM 1091 C GLU A 337 16.964 -4.901 4.931 1.00 0.00 C ATOM 1092 O GLU A 337 16.829 -6.086 5.228 1.00 0.00 O ATOM 1093 CB GLU A 337 17.525 -4.846 2.439 1.00 0.00 C ATOM 1094 CG GLU A 337 18.978 -4.316 2.464 1.00 0.00 C ATOM 1095 CD GLU A 337 19.887 -5.124 3.392 1.00 0.00 C ATOM 1096 OE1 GLU A 337 20.054 -6.347 3.137 1.00 0.00 O ATOM 1097 OE2 GLU A 337 20.430 -4.529 4.360 1.00 0.00 O ATOM 0 H GLU A 337 17.265 -2.404 3.171 1.00 0.00 H new ATOM 0 HA GLU A 337 15.573 -4.733 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 337 17.560 -5.934 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 337 17.085 -4.584 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 337 19.386 -4.339 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 337 18.974 -3.274 2.783 1.00 0.00 H new ATOM 1104 N GLU A 338 17.452 -3.981 5.795 1.00 0.00 N ATOM 1105 CA GLU A 338 17.856 -4.125 7.184 1.00 0.00 C ATOM 1106 C GLU A 338 16.666 -3.958 8.131 1.00 0.00 C ATOM 1107 O GLU A 338 16.596 -4.607 9.170 1.00 0.00 O ATOM 1108 CB GLU A 338 18.922 -3.039 7.505 1.00 0.00 C ATOM 1109 CG GLU A 338 18.649 -1.717 6.756 1.00 0.00 C ATOM 1110 CD GLU A 338 19.458 -0.573 7.360 1.00 0.00 C ATOM 1111 OE1 GLU A 338 20.713 -0.678 7.372 1.00 0.00 O ATOM 1112 OE2 GLU A 338 18.832 0.425 7.808 1.00 0.00 O ATOM 0 H GLU A 338 17.580 -3.018 5.486 1.00 0.00 H new ATOM 0 HA GLU A 338 18.265 -5.125 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 338 18.935 -2.851 8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 338 19.910 -3.411 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 338 18.904 -1.832 5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 338 17.586 -1.481 6.803 1.00 0.00 H new ATOM 1119 N ARG A 339 15.708 -3.049 7.777 1.00 0.00 N ATOM 1120 CA ARG A 339 14.510 -2.734 8.566 1.00 0.00 C ATOM 1121 C ARG A 339 13.316 -3.546 8.106 1.00 0.00 C ATOM 1122 O ARG A 339 12.399 -3.857 8.863 1.00 0.00 O ATOM 1123 CB ARG A 339 14.195 -1.211 8.611 1.00 0.00 C ATOM 1124 CG ARG A 339 15.386 -0.313 9.025 1.00 0.00 C ATOM 1125 CD ARG A 339 16.100 -0.740 10.318 1.00 0.00 C ATOM 1126 NE ARG A 339 17.163 0.278 10.628 1.00 0.00 N ATOM 1127 CZ ARG A 339 18.156 0.072 11.549 1.00 0.00 C ATOM 1128 NH1 ARG A 339 18.225 -1.093 12.255 1.00 0.00 N ATOM 1129 NH2 ARG A 339 19.089 1.046 11.758 1.00 0.00 N ATOM 0 H ARG A 339 15.763 -2.511 6.912 1.00 0.00 H new ATOM 0 HA ARG A 339 14.731 -3.023 9.593 1.00 0.00 H new ATOM 0 HB2 ARG A 339 13.847 -0.897 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 339 13.374 -1.045 9.308 1.00 0.00 H new ATOM 0 HG2 ARG A 339 16.113 -0.301 8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 339 15.027 0.709 9.146 1.00 0.00 H new ATOM 0 HD2 ARG A 339 15.388 -0.808 11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 339 16.544 -1.728 10.198 1.00 0.00 H new ATOM 0 HE ARG A 339 17.144 1.166 10.127 1.00 0.00 H new ATOM 0 HH11 ARG A 339 17.532 -1.825 12.100 1.00 0.00 H new ATOM 0 HH12 ARG A 339 18.970 -1.232 12.938 1.00 0.00 H new ATOM 0 HH21 ARG A 339 19.043 1.918 11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 339 19.832 0.902 12.442 1.00 0.00 H new ATOM 1143 N ARG A 340 13.381 -3.923 6.809 1.00 0.00 N ATOM 1144 CA ARG A 340 12.523 -4.807 6.020 1.00 0.00 C ATOM 1145 C ARG A 340 11.185 -4.203 5.671 1.00 0.00 C ATOM 1146 O ARG A 340 10.094 -4.761 5.823 1.00 0.00 O ATOM 1147 CB ARG A 340 12.510 -6.249 6.582 1.00 0.00 C ATOM 1148 CG ARG A 340 13.937 -6.845 6.636 1.00 0.00 C ATOM 1149 CD ARG A 340 14.152 -7.848 7.777 1.00 0.00 C ATOM 1150 NE ARG A 340 14.113 -7.089 9.077 1.00 0.00 N ATOM 1151 CZ ARG A 340 14.369 -7.660 10.295 1.00 0.00 C ATOM 1152 NH1 ARG A 340 14.665 -8.988 10.398 1.00 0.00 N ATOM 1153 NH2 ARG A 340 14.328 -6.886 11.418 1.00 0.00 N ATOM 0 H ARG A 340 14.137 -3.563 6.226 1.00 0.00 H new ATOM 0 HA ARG A 340 12.976 -4.914 5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 340 12.076 -6.248 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 340 11.874 -6.878 5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 340 14.150 -7.338 5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 340 14.655 -6.032 6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 340 13.378 -8.616 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 340 15.109 -8.357 7.662 1.00 0.00 H new ATOM 0 HE ARG A 340 13.883 -6.096 9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 340 14.698 -9.570 9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 340 14.853 -9.399 11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 340 14.108 -5.893 11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 340 14.517 -7.301 12.330 1.00 0.00 H new ATOM 1167 N ARG A 341 11.348 -2.957 5.182 1.00 0.00 N ATOM 1168 CA ARG A 341 10.298 -2.071 4.753 1.00 0.00 C ATOM 1169 C ARG A 341 10.602 -1.633 3.346 1.00 0.00 C ATOM 1170 O ARG A 341 11.704 -1.197 3.040 1.00 0.00 O ATOM 1171 CB ARG A 341 10.049 -0.911 5.761 1.00 0.00 C ATOM 1172 CG ARG A 341 11.265 -0.040 6.172 1.00 0.00 C ATOM 1173 CD ARG A 341 11.533 1.220 5.323 1.00 0.00 C ATOM 1174 NE ARG A 341 10.285 2.058 5.197 1.00 0.00 N ATOM 1175 CZ ARG A 341 9.936 3.062 6.060 1.00 0.00 C ATOM 1176 NH1 ARG A 341 10.718 3.375 7.133 1.00 0.00 N ATOM 1177 NH2 ARG A 341 8.784 3.762 5.840 1.00 0.00 N ATOM 0 H ARG A 341 12.273 -2.539 5.079 1.00 0.00 H new ATOM 0 HA ARG A 341 9.341 -2.593 4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 341 9.293 -0.252 5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 341 9.622 -1.340 6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 341 11.127 0.271 7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 341 12.157 -0.666 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 341 12.327 1.810 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 341 11.882 0.929 4.332 1.00 0.00 H new ATOM 0 HE ARG A 341 9.659 1.863 4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 341 11.580 2.858 7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 341 10.441 4.127 7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 341 8.194 3.535 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 341 8.514 4.512 6.476 1.00 0.00 H new ATOM 1191 N ILE A 342 9.602 -1.770 2.448 1.00 0.00 N ATOM 1192 CA ILE A 342 9.530 -1.342 1.044 1.00 0.00 C ATOM 1193 C ILE A 342 8.339 -0.466 1.210 1.00 0.00 C ATOM 1194 O ILE A 342 7.351 -0.994 1.711 1.00 0.00 O ATOM 1195 CB ILE A 342 9.172 -2.561 0.158 1.00 0.00 C ATOM 1196 CG1 ILE A 342 9.489 -3.985 0.733 1.00 0.00 C ATOM 1197 CG2 ILE A 342 9.591 -2.309 -1.297 1.00 0.00 C ATOM 1198 CD1 ILE A 342 10.929 -4.448 0.980 1.00 0.00 C ATOM 0 H ILE A 342 8.736 -2.233 2.724 1.00 0.00 H new ATOM 0 HA ILE A 342 10.419 -0.899 0.596 1.00 0.00 H new ATOM 0 HB ILE A 342 8.084 -2.627 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 342 8.963 -4.067 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 342 9.036 -4.708 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 342 9.332 -3.175 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 342 9.072 -1.430 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 342 10.667 -2.143 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 342 10.922 -5.462 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 342 11.483 -4.431 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 342 11.408 -3.780 1.696 1.00 0.00 H new ATOM 1210 N SER A 343 8.290 0.858 0.894 1.00 0.00 N ATOM 1211 CA SER A 343 7.086 1.497 1.473 1.00 0.00 C ATOM 1212 C SER A 343 6.158 1.724 0.359 1.00 0.00 C ATOM 1213 O SER A 343 6.273 2.737 -0.297 1.00 0.00 O ATOM 1214 CB SER A 343 7.443 2.800 2.233 1.00 0.00 C ATOM 1215 OG SER A 343 6.610 3.000 3.362 1.00 0.00 O ATOM 0 H SER A 343 8.941 1.418 0.344 1.00 0.00 H new ATOM 0 HA SER A 343 6.619 0.857 2.222 1.00 0.00 H new ATOM 0 HB2 SER A 343 8.484 2.760 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 343 7.350 3.651 1.558 1.00 0.00 H new ATOM 0 HG SER A 343 6.495 3.961 3.518 1.00 0.00 H new ATOM 1221 N LEU A 344 5.184 0.825 0.061 1.00 0.00 N ATOM 1222 CA LEU A 344 4.372 1.048 -1.109 1.00 0.00 C ATOM 1223 C LEU A 344 3.104 1.686 -0.664 1.00 0.00 C ATOM 1224 O LEU A 344 2.471 1.254 0.294 1.00 0.00 O ATOM 1225 CB LEU A 344 4.054 -0.204 -1.995 1.00 0.00 C ATOM 1226 CG LEU A 344 4.670 -1.572 -1.694 1.00 0.00 C ATOM 1227 CD1 LEU A 344 6.198 -1.576 -1.640 1.00 0.00 C ATOM 1228 CD2 LEU A 344 3.974 -2.194 -0.479 1.00 0.00 C ATOM 0 H LEU A 344 4.967 -0.014 0.600 1.00 0.00 H new ATOM 0 HA LEU A 344 4.966 1.682 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 344 2.972 -0.334 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 344 4.333 0.052 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 344 4.478 -2.226 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 344 6.552 -2.584 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 344 6.597 -1.252 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 344 6.536 -0.896 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 344 4.414 -3.168 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 344 4.100 -1.542 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 344 2.912 -2.315 -0.690 1.00 0.00 H new ATOM 1240 N GLY A 345 2.673 2.668 -1.465 1.00 0.00 N ATOM 1241 CA GLY A 345 1.423 3.339 -1.189 1.00 0.00 C ATOM 1242 C GLY A 345 0.762 3.701 -2.452 1.00 0.00 C ATOM 1243 O GLY A 345 1.300 4.429 -3.274 1.00 0.00 O ATOM 0 H GLY A 345 3.169 3.002 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 345 0.774 2.690 -0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 345 1.604 4.234 -0.593 1.00 0.00 H new ATOM 1247 N LEU A 346 -0.487 3.204 -2.629 1.00 0.00 N ATOM 1248 CA LEU A 346 -1.424 3.537 -3.672 1.00 0.00 C ATOM 1249 C LEU A 346 -2.826 3.607 -3.178 1.00 0.00 C ATOM 1250 O LEU A 346 -3.123 4.614 -2.550 1.00 0.00 O ATOM 1251 CB LEU A 346 -1.258 3.192 -5.157 1.00 0.00 C ATOM 1252 CG LEU A 346 -1.820 4.190 -6.195 1.00 0.00 C ATOM 1253 CD1 LEU A 346 -3.329 4.447 -6.129 1.00 0.00 C ATOM 1254 CD2 LEU A 346 -1.071 5.531 -6.166 1.00 0.00 C ATOM 0 H LEU A 346 -0.871 2.511 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 346 -0.986 4.513 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 346 -0.193 3.067 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 346 -1.731 2.225 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 346 -1.647 3.680 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 346 -3.610 5.162 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 346 -3.865 3.511 -6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 346 -3.587 4.851 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 346 -1.498 6.202 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 346 -1.165 5.979 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 346 -0.017 5.364 -6.390 1.00 0.00 H new ATOM 1266 N LYS A 347 -3.682 2.582 -3.534 1.00 0.00 N ATOM 1267 CA LYS A 347 -5.131 2.435 -3.303 1.00 0.00 C ATOM 1268 C LYS A 347 -5.993 2.257 -4.570 1.00 0.00 C ATOM 1269 O LYS A 347 -7.165 2.627 -4.600 1.00 0.00 O ATOM 1270 CB LYS A 347 -5.819 3.420 -2.311 1.00 0.00 C ATOM 1271 CG LYS A 347 -6.061 4.870 -2.772 1.00 0.00 C ATOM 1272 CD LYS A 347 -6.287 5.784 -1.558 1.00 0.00 C ATOM 1273 CE LYS A 347 -5.957 7.247 -1.836 1.00 0.00 C ATOM 1274 NZ LYS A 347 -6.876 7.799 -2.845 1.00 0.00 N ATOM 0 H LYS A 347 -3.318 1.772 -4.036 1.00 0.00 H new ATOM 0 HA LYS A 347 -5.104 1.482 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 347 -6.783 2.994 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 347 -5.214 3.456 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 347 -5.206 5.223 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 347 -6.928 4.909 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 347 -7.327 5.707 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 347 -5.675 5.432 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 347 -6.030 7.824 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 347 -4.928 7.334 -2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 -6.660 8.805 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 -6.762 7.280 -3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 -7.856 7.703 -2.511 1.00 0.00 H new ATOM 1288 N GLN A 348 -5.470 1.657 -5.684 1.00 0.00 N ATOM 1289 CA GLN A 348 -6.195 1.536 -6.954 1.00 0.00 C ATOM 1290 C GLN A 348 -7.111 0.325 -7.122 1.00 0.00 C ATOM 1291 O GLN A 348 -7.530 0.053 -8.248 1.00 0.00 O ATOM 1292 CB GLN A 348 -5.233 1.712 -8.171 1.00 0.00 C ATOM 1293 CG GLN A 348 -5.373 3.096 -8.863 1.00 0.00 C ATOM 1294 CD GLN A 348 -6.736 3.388 -9.510 1.00 0.00 C ATOM 1295 OE1 GLN A 348 -7.135 4.540 -9.701 1.00 0.00 O ATOM 1296 NE2 GLN A 348 -7.477 2.317 -9.890 1.00 0.00 N ATOM 0 H GLN A 348 -4.535 1.250 -5.709 1.00 0.00 H new ATOM 0 HA GLN A 348 -6.903 2.364 -6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 348 -4.204 1.583 -7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 348 -5.431 0.926 -8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 348 -5.169 3.872 -8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 348 -4.603 3.176 -9.631 1.00 0.00 H new ATOM 0 HE21 GLN A 348 -7.130 1.372 -9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 348 -8.381 2.457 -10.342 1.00 0.00 H new ATOM 1305 N CYS A 349 -7.469 -0.356 -5.993 1.00 0.00 N ATOM 1306 CA CYS A 349 -8.425 -1.461 -5.825 1.00 0.00 C ATOM 1307 C CYS A 349 -8.199 -2.813 -6.527 1.00 0.00 C ATOM 1308 O CYS A 349 -7.680 -2.900 -7.639 1.00 0.00 O ATOM 1309 CB CYS A 349 -9.913 -0.978 -5.987 1.00 0.00 C ATOM 1310 SG CYS A 349 -10.530 -0.704 -7.698 1.00 0.00 S ATOM 0 H CYS A 349 -7.046 -0.110 -5.098 1.00 0.00 H new ATOM 0 HA CYS A 349 -8.197 -1.737 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 349 -10.560 -1.713 -5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 349 -10.027 -0.046 -5.434 1.00 0.00 H new ATOM 0 HG CYS A 349 -9.548 -0.318 -8.457 1.00 0.00 H new ATOM 1316 N LYS A 350 -8.645 -3.919 -5.876 1.00 0.00 N ATOM 1317 CA LYS A 350 -8.665 -5.279 -6.419 1.00 0.00 C ATOM 1318 C LYS A 350 -10.093 -5.670 -6.843 1.00 0.00 C ATOM 1319 O LYS A 350 -11.074 -4.990 -6.545 1.00 0.00 O ATOM 1320 CB LYS A 350 -8.099 -6.256 -5.355 1.00 0.00 C ATOM 1321 CG LYS A 350 -7.825 -7.718 -5.776 1.00 0.00 C ATOM 1322 CD LYS A 350 -6.958 -7.855 -7.036 1.00 0.00 C ATOM 1323 CE LYS A 350 -6.440 -9.284 -7.246 1.00 0.00 C ATOM 1324 NZ LYS A 350 -5.590 -9.368 -8.456 1.00 0.00 N ATOM 0 H LYS A 350 -9.011 -3.873 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 350 -8.039 -5.330 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 350 -7.165 -5.837 -4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 350 -8.796 -6.276 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 350 -7.334 -8.236 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 350 -8.777 -8.220 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 350 -7.539 -7.552 -7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 350 -6.111 -7.173 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 350 -5.868 -9.599 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 350 -7.282 -9.970 -7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 -5.252 -10.344 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 -6.145 -9.089 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 -4.775 -8.730 -8.353 1.00 0.00 H new ATOM 1338 N ALA A 351 -10.273 -6.806 -7.569 1.00 0.00 N ATOM 1339 CA ALA A 351 -11.556 -7.299 -8.069 1.00 0.00 C ATOM 1340 C ALA A 351 -12.173 -8.323 -7.126 1.00 0.00 C ATOM 1341 O ALA A 351 -12.070 -9.538 -7.274 1.00 0.00 O ATOM 1342 CB ALA A 351 -11.380 -7.829 -9.505 1.00 0.00 C ATOM 0 H ALA A 351 -9.494 -7.414 -7.823 1.00 0.00 H new ATOM 0 HA ALA A 351 -12.268 -6.474 -8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 351 -12.336 -8.196 -9.877 1.00 0.00 H new ATOM 0 HB2 ALA A 351 -11.025 -7.024 -10.149 1.00 0.00 H new ATOM 0 HB3 ALA A 351 -10.654 -8.642 -9.506 1.00 0.00 H new ATOM 1348 N ASN A 352 -12.813 -7.720 -6.096 1.00 0.00 N ATOM 1349 CA ASN A 352 -13.472 -8.231 -4.913 1.00 0.00 C ATOM 1350 C ASN A 352 -12.424 -8.194 -3.790 1.00 0.00 C ATOM 1351 O ASN A 352 -11.901 -9.247 -3.413 1.00 0.00 O ATOM 1352 CB ASN A 352 -14.240 -9.580 -5.063 1.00 0.00 C ATOM 1353 CG ASN A 352 -15.258 -9.726 -3.927 1.00 0.00 C ATOM 1354 OD1 ASN A 352 -14.897 -10.067 -2.796 1.00 0.00 O ATOM 1355 ND2 ASN A 352 -16.545 -9.393 -4.196 1.00 0.00 N ATOM 0 H ASN A 352 -12.876 -6.702 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 352 -14.320 -7.590 -4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 352 -14.749 -9.614 -6.026 1.00 0.00 H new ATOM 0 HB3 ASN A 352 -13.538 -10.413 -5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 352 -17.245 -9.420 -3.454 1.00 0.00 H new ATOM 0 HD22 ASN A 352 -16.813 -9.115 -5.140 1.00 0.00 H new ATOM 1362 N PRO A 353 -12.075 -7.012 -3.200 1.00 0.00 N ATOM 1363 CA PRO A 353 -10.981 -6.828 -2.233 1.00 0.00 C ATOM 1364 C PRO A 353 -11.106 -7.549 -0.884 1.00 0.00 C ATOM 1365 O PRO A 353 -10.169 -7.461 -0.097 1.00 0.00 O ATOM 1366 CB PRO A 353 -10.927 -5.298 -2.027 1.00 0.00 C ATOM 1367 CG PRO A 353 -12.342 -4.831 -2.389 1.00 0.00 C ATOM 1368 CD PRO A 353 -12.604 -5.707 -3.604 1.00 0.00 C ATOM 0 HA PRO A 353 -10.077 -7.281 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 353 -10.672 -5.041 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 353 -10.176 -4.834 -2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -13.058 -5.007 -1.586 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -12.383 -3.768 -2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -13.667 -5.760 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -12.099 -5.325 -4.491 1.00 0.00 H new