USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 556 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 Set 1.1: A 272 THR OG1 : rot 140:sc= -1.69! USER MOD Set 1.2: A 304 ASN : amide:sc= -3.56! C(o=-5.2!,f=-14!) USER MOD Set 2.1: A 271 GLN :FLIP amide:sc= -1.22 F(o=-9.7,f=-8.4) USER MOD Set 2.2: A 289 CYS SG : rot 180:sc= -7.17! USER MOD Set 2.3: A 291 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 254 CYS SG : rot 160:sc= -0.478 USER MOD Set 3.2: A 257 SER OG : rot 122:sc= 0.998 USER MOD Set 3.3: A 277 SER OG : rot 180:sc= 0.874 USER MOD Single : A 261 MET CE :methyl -179:sc= -0.0679 (180deg=-0.0756) USER MOD Single : A 262 LYS NZ :NH3+ -165:sc= 2.66 (180deg=2.51) USER MOD Single : A 268 SER OG : rot -132:sc= 1.29 USER MOD Single : A 269 THR OG1 : rot -150:sc= 0 USER MOD Single : A 273 TYR OH : rot 23:sc= -1.32 USER MOD Single : A 276 SER OG : rot -26:sc= 0.0639 USER MOD Single : A 279 GLN : amide:sc= -2.99 K(o=-3,f=-5.2!) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.095 X(o=-0.095,f=0) USER MOD Single : A 287 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00453) USER MOD Single : A 288 THR OG1 : rot 180:sc= 0 USER MOD Single : A 292 SER OG : rot 180:sc= 0 USER MOD Single : A 293 GLN :FLIP amide:sc= -0.0432 F(o=-4.5!,f=-0.043) USER MOD Single : A 295 THR OG1 : rot 180:sc= 0 USER MOD Single : A 298 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.013) USER MOD Single : A 302 THR OG1 : rot 65:sc= 0.455 USER MOD Single : A 305 TYR OH : rot 180:sc= 0 USER MOD Single : A 308 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.1) USER MOD Single : A 309 SER OG : rot 180:sc= 0 USER MOD Single : A 315 CYS SG : rot -22:sc= -0.772 USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 318 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 120 N PHE A 252 2.038 -6.243 0.653 1.00 0.00 N ATOM 121 CA PHE A 252 0.911 -6.978 1.216 1.00 0.00 C ATOM 122 C PHE A 252 0.042 -6.106 2.122 1.00 0.00 C ATOM 123 O PHE A 252 -0.934 -5.511 1.676 1.00 0.00 O ATOM 124 CB PHE A 252 1.378 -8.203 2.012 1.00 0.00 C ATOM 125 CG PHE A 252 1.387 -9.488 1.239 1.00 0.00 C ATOM 126 CD1 PHE A 252 0.345 -9.810 0.387 1.00 0.00 C ATOM 127 CD2 PHE A 252 2.432 -10.384 1.380 1.00 0.00 C ATOM 128 CE1 PHE A 252 0.350 -11.001 -0.312 1.00 0.00 C ATOM 129 CE2 PHE A 252 2.438 -11.579 0.687 1.00 0.00 C ATOM 130 CZ PHE A 252 1.395 -11.887 -0.160 1.00 0.00 C ATOM 0 HA PHE A 252 0.314 -7.302 0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 252 2.384 -8.014 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 252 0.731 -8.322 2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 252 -0.480 -9.123 0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 252 3.253 -10.146 2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 252 -0.466 -11.239 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 252 3.258 -12.271 0.809 1.00 0.00 H new ATOM 0 HZ PHE A 252 1.397 -12.820 -0.703 1.00 0.00 H new ATOM 140 N ARG A 253 0.408 -6.028 3.396 1.00 0.00 N ATOM 141 CA ARG A 253 -0.462 -5.422 4.392 1.00 0.00 C ATOM 142 C ARG A 253 -0.218 -3.931 4.502 1.00 0.00 C ATOM 143 O ARG A 253 0.904 -3.494 4.767 1.00 0.00 O ATOM 144 CB ARG A 253 -0.268 -6.088 5.758 1.00 0.00 C ATOM 145 CG ARG A 253 -1.482 -5.949 6.665 1.00 0.00 C ATOM 146 CD ARG A 253 -1.239 -6.540 8.046 1.00 0.00 C ATOM 147 NE ARG A 253 -0.728 -7.912 7.998 1.00 0.00 N ATOM 148 CZ ARG A 253 -1.187 -8.907 8.761 1.00 0.00 C ATOM 149 NH1 ARG A 253 -2.211 -8.703 9.583 1.00 0.00 N ATOM 150 NH2 ARG A 253 -0.624 -10.104 8.705 1.00 0.00 N ATOM 0 H ARG A 253 1.295 -6.375 3.760 1.00 0.00 H new ATOM 0 HA ARG A 253 -1.491 -5.576 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 253 -0.049 -7.146 5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 253 0.599 -5.648 6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 253 -1.741 -4.895 6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 253 -2.336 -6.445 6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 253 -0.529 -5.912 8.584 1.00 0.00 H new ATOM 0 HD3 ARG A 253 -2.171 -6.524 8.611 1.00 0.00 H new ATOM 0 HE ARG A 253 0.024 -8.120 7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 253 -2.650 -7.783 9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 253 -2.558 -9.466 10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 253 0.163 -10.269 8.077 1.00 0.00 H new ATOM 0 HH22 ARG A 253 -0.977 -10.862 9.289 1.00 0.00 H new ATOM 164 N CYS A 254 -1.278 -3.160 4.290 1.00 0.00 N ATOM 165 CA CYS A 254 -1.231 -1.722 4.470 1.00 0.00 C ATOM 166 C CYS A 254 -0.999 -1.398 5.940 1.00 0.00 C ATOM 167 O CYS A 254 -1.847 -1.676 6.793 1.00 0.00 O ATOM 168 CB CYS A 254 -2.533 -1.084 3.988 1.00 0.00 C ATOM 169 SG CYS A 254 -2.649 0.703 4.239 1.00 0.00 S ATOM 0 H CYS A 254 -2.186 -3.515 3.991 1.00 0.00 H new ATOM 0 HA CYS A 254 -0.409 -1.316 3.880 1.00 0.00 H new ATOM 0 HB2 CYS A 254 -2.651 -1.295 2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 254 -3.366 -1.563 4.502 1.00 0.00 H new ATOM 0 HG CYS A 254 -3.553 1.195 3.445 1.00 0.00 H new ATOM 175 N PRO A 255 0.155 -0.801 6.254 1.00 0.00 N ATOM 176 CA PRO A 255 0.556 -0.518 7.635 1.00 0.00 C ATOM 177 C PRO A 255 -0.224 0.645 8.244 1.00 0.00 C ATOM 178 O PRO A 255 0.052 1.068 9.365 1.00 0.00 O ATOM 179 CB PRO A 255 2.039 -0.160 7.496 1.00 0.00 C ATOM 180 CG PRO A 255 2.165 0.391 6.118 1.00 0.00 C ATOM 181 CD PRO A 255 1.168 -0.356 5.277 1.00 0.00 C ATOM 0 HA PRO A 255 0.363 -1.360 8.300 1.00 0.00 H new ATOM 0 HB2 PRO A 255 2.342 0.572 8.245 1.00 0.00 H new ATOM 0 HB3 PRO A 255 2.673 -1.036 7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 255 1.960 1.462 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 255 3.177 0.256 5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 255 0.731 0.283 4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 255 1.629 -1.200 4.764 1.00 0.00 H new ATOM 189 N ILE A 256 -1.193 1.155 7.499 1.00 0.00 N ATOM 190 CA ILE A 256 -1.964 2.308 7.934 1.00 0.00 C ATOM 191 C ILE A 256 -3.281 1.884 8.588 1.00 0.00 C ATOM 192 O ILE A 256 -3.471 2.059 9.790 1.00 0.00 O ATOM 193 CB ILE A 256 -2.252 3.248 6.747 1.00 0.00 C ATOM 194 CG1 ILE A 256 -0.940 3.603 6.036 1.00 0.00 C ATOM 195 CG2 ILE A 256 -2.966 4.507 7.221 1.00 0.00 C ATOM 196 CD1 ILE A 256 -1.124 4.397 4.762 1.00 0.00 C ATOM 0 H ILE A 256 -1.464 0.787 6.587 1.00 0.00 H new ATOM 0 HA ILE A 256 -1.367 2.839 8.675 1.00 0.00 H new ATOM 0 HB ILE A 256 -2.907 2.736 6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 256 -0.312 4.174 6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 256 -0.404 2.683 5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 256 -3.160 5.158 6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 256 -3.910 4.234 7.692 1.00 0.00 H new ATOM 0 HG23 ILE A 256 -2.339 5.031 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 256 -0.150 4.607 4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 256 -1.725 3.821 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 256 -1.630 5.335 4.988 1.00 0.00 H new ATOM 208 N SER A 257 -4.171 1.295 7.798 1.00 0.00 N ATOM 209 CA SER A 257 -5.512 0.966 8.275 1.00 0.00 C ATOM 210 C SER A 257 -5.659 -0.531 8.554 1.00 0.00 C ATOM 211 O SER A 257 -6.742 -0.999 8.903 1.00 0.00 O ATOM 212 CB SER A 257 -6.545 1.405 7.232 1.00 0.00 C ATOM 213 OG SER A 257 -6.313 2.743 6.813 1.00 0.00 O ATOM 0 H SER A 257 -3.991 1.036 6.828 1.00 0.00 H new ATOM 0 HA SER A 257 -5.680 1.496 9.212 1.00 0.00 H new ATOM 0 HB2 SER A 257 -6.502 0.738 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 257 -7.548 1.321 7.651 1.00 0.00 H new ATOM 0 HG SER A 257 -6.180 2.763 5.842 1.00 0.00 H new ATOM 219 N LEU A 258 -4.557 -1.265 8.415 1.00 0.00 N ATOM 220 CA LEU A 258 -4.559 -2.727 8.510 1.00 0.00 C ATOM 221 C LEU A 258 -5.617 -3.318 7.587 1.00 0.00 C ATOM 222 O LEU A 258 -6.524 -4.035 8.015 1.00 0.00 O ATOM 223 CB LEU A 258 -4.774 -3.223 9.947 1.00 0.00 C ATOM 224 CG LEU A 258 -4.066 -4.547 10.298 1.00 0.00 C ATOM 225 CD1 LEU A 258 -4.289 -4.886 11.760 1.00 0.00 C ATOM 226 CD2 LEU A 258 -4.538 -5.706 9.409 1.00 0.00 C ATOM 0 H LEU A 258 -3.636 -0.865 8.233 1.00 0.00 H new ATOM 0 HA LEU A 258 -3.572 -3.067 8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -4.429 -2.452 10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -5.844 -3.346 10.116 1.00 0.00 H new ATOM 0 HG LEU A 258 -3.001 -4.407 10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -3.785 -5.823 11.997 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -3.886 -4.089 12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -5.357 -4.991 11.950 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -4.013 -6.618 9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -5.611 -5.850 9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -4.326 -5.474 8.365 1.00 0.00 H new ATOM 238 N GLU A 259 -5.516 -2.969 6.329 1.00 0.00 N ATOM 239 CA GLU A 259 -6.217 -3.679 5.292 1.00 0.00 C ATOM 240 C GLU A 259 -5.172 -4.192 4.327 1.00 0.00 C ATOM 241 O GLU A 259 -4.078 -3.641 4.250 1.00 0.00 O ATOM 242 CB GLU A 259 -7.287 -2.800 4.614 1.00 0.00 C ATOM 243 CG GLU A 259 -6.807 -1.421 4.178 1.00 0.00 C ATOM 244 CD GLU A 259 -6.253 -1.400 2.772 1.00 0.00 C ATOM 245 OE1 GLU A 259 -6.938 -1.898 1.855 1.00 0.00 O ATOM 246 OE2 GLU A 259 -5.146 -0.866 2.579 1.00 0.00 O ATOM 0 H GLU A 259 -4.949 -2.189 5.997 1.00 0.00 H new ATOM 0 HA GLU A 259 -6.778 -4.517 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -7.669 -3.328 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -8.123 -2.676 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -7.636 -0.717 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -6.039 -1.076 4.870 1.00 0.00 H new ATOM 253 N LEU A 260 -5.471 -5.264 3.635 1.00 0.00 N ATOM 254 CA LEU A 260 -4.476 -5.913 2.800 1.00 0.00 C ATOM 255 C LEU A 260 -4.470 -5.278 1.419 1.00 0.00 C ATOM 256 O LEU A 260 -4.029 -5.879 0.457 1.00 0.00 O ATOM 257 CB LEU A 260 -4.778 -7.413 2.725 1.00 0.00 C ATOM 258 CG LEU A 260 -3.577 -8.358 2.795 1.00 0.00 C ATOM 259 CD1 LEU A 260 -2.733 -8.281 1.536 1.00 0.00 C ATOM 260 CD2 LEU A 260 -2.731 -8.062 4.018 1.00 0.00 C ATOM 0 H LEU A 260 -6.389 -5.708 3.629 1.00 0.00 H new ATOM 0 HA LEU A 260 -3.484 -5.784 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 260 -5.457 -7.665 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 260 -5.310 -7.607 1.794 1.00 0.00 H new ATOM 0 HG LEU A 260 -3.964 -9.374 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 260 -1.889 -8.965 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -3.340 -8.558 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 260 -2.363 -7.264 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 260 -1.883 -8.746 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 260 -2.368 -7.035 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 260 -3.333 -8.192 4.917 1.00 0.00 H new ATOM 272 N MET A 261 -4.948 -4.041 1.352 1.00 0.00 N ATOM 273 CA MET A 261 -5.054 -3.301 0.103 1.00 0.00 C ATOM 274 C MET A 261 -5.874 -4.046 -0.952 1.00 0.00 C ATOM 275 O MET A 261 -6.343 -5.167 -0.739 1.00 0.00 O ATOM 276 CB MET A 261 -3.666 -2.937 -0.428 1.00 0.00 C ATOM 277 CG MET A 261 -3.023 -1.792 0.334 1.00 0.00 C ATOM 278 SD MET A 261 -1.421 -1.304 -0.330 1.00 0.00 S ATOM 279 CE MET A 261 -0.380 -2.620 0.285 1.00 0.00 C ATOM 0 H MET A 261 -5.274 -3.522 2.167 1.00 0.00 H new ATOM 0 HA MET A 261 -5.594 -2.380 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 261 -3.020 -3.813 -0.371 1.00 0.00 H new ATOM 0 HB3 MET A 261 -3.745 -2.667 -1.481 1.00 0.00 H new ATOM 0 HG2 MET A 261 -3.693 -0.932 0.317 1.00 0.00 H new ATOM 0 HG3 MET A 261 -2.903 -2.082 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 261 0.649 -2.447 -0.030 1.00 0.00 H new ATOM 0 HE2 MET A 261 -0.428 -2.643 1.374 1.00 0.00 H new ATOM 0 HE3 MET A 261 -0.726 -3.574 -0.113 1.00 0.00 H new ATOM 289 N LYS A 262 -6.072 -3.391 -2.084 1.00 0.00 N ATOM 290 CA LYS A 262 -6.881 -3.933 -3.170 1.00 0.00 C ATOM 291 C LYS A 262 -6.339 -3.404 -4.489 1.00 0.00 C ATOM 292 O LYS A 262 -6.096 -4.143 -5.441 1.00 0.00 O ATOM 293 CB LYS A 262 -8.343 -3.493 -3.006 1.00 0.00 C ATOM 294 CG LYS A 262 -8.963 -3.853 -1.661 1.00 0.00 C ATOM 295 CD LYS A 262 -10.105 -2.915 -1.314 1.00 0.00 C ATOM 296 CE LYS A 262 -9.610 -1.497 -1.045 1.00 0.00 C ATOM 297 NZ LYS A 262 -9.028 -1.337 0.320 1.00 0.00 N ATOM 0 H LYS A 262 -5.679 -2.470 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 262 -6.836 -5.022 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 262 -8.402 -2.413 -3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 262 -8.937 -3.947 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 262 -9.328 -4.880 -1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 262 -8.201 -3.807 -0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 262 -10.825 -2.900 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 262 -10.630 -3.290 -0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 262 -8.859 -1.232 -1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 262 -10.438 -0.799 -1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 262 -8.943 -0.325 0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 262 -9.648 -1.796 1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 262 -8.087 -1.778 0.350 1.00 0.00 H new ATOM 311 N ASP A 263 -6.143 -2.101 -4.497 1.00 0.00 N ATOM 312 CA ASP A 263 -5.549 -1.383 -5.605 1.00 0.00 C ATOM 313 C ASP A 263 -4.521 -0.438 -5.016 1.00 0.00 C ATOM 314 O ASP A 263 -4.869 0.580 -4.415 1.00 0.00 O ATOM 315 CB ASP A 263 -6.612 -0.606 -6.392 1.00 0.00 C ATOM 316 CG ASP A 263 -6.034 0.188 -7.551 1.00 0.00 C ATOM 317 OD1 ASP A 263 -5.629 1.348 -7.345 1.00 0.00 O ATOM 318 OD2 ASP A 263 -6.006 -0.339 -8.685 1.00 0.00 O ATOM 0 H ASP A 263 -6.399 -1.498 -3.715 1.00 0.00 H new ATOM 0 HA ASP A 263 -5.084 -2.076 -6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 263 -7.356 -1.305 -6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 263 -7.131 0.074 -5.716 1.00 0.00 H new ATOM 323 N PRO A 264 -3.246 -0.802 -5.119 1.00 0.00 N ATOM 324 CA PRO A 264 -2.176 -0.082 -4.467 1.00 0.00 C ATOM 325 C PRO A 264 -1.545 0.973 -5.366 1.00 0.00 C ATOM 326 O PRO A 264 -1.161 0.701 -6.509 1.00 0.00 O ATOM 327 CB PRO A 264 -1.201 -1.206 -4.153 1.00 0.00 C ATOM 328 CG PRO A 264 -1.360 -2.184 -5.272 1.00 0.00 C ATOM 329 CD PRO A 264 -2.732 -1.959 -5.867 1.00 0.00 C ATOM 0 HA PRO A 264 -2.504 0.486 -3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 264 -0.178 -0.835 -4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 264 -1.427 -1.667 -3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 264 -0.585 -2.038 -6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 264 -1.261 -3.206 -4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 264 -2.677 -1.753 -6.936 1.00 0.00 H new ATOM 0 HD3 PRO A 264 -3.371 -2.833 -5.743 1.00 0.00 H new ATOM 337 N VAL A 265 -1.438 2.178 -4.846 1.00 0.00 N ATOM 338 CA VAL A 265 -0.855 3.269 -5.594 1.00 0.00 C ATOM 339 C VAL A 265 0.539 3.591 -5.088 1.00 0.00 C ATOM 340 O VAL A 265 0.765 3.767 -3.886 1.00 0.00 O ATOM 341 CB VAL A 265 -1.737 4.532 -5.554 1.00 0.00 C ATOM 342 CG1 VAL A 265 -2.966 4.344 -6.427 1.00 0.00 C ATOM 343 CG2 VAL A 265 -2.141 4.870 -4.124 1.00 0.00 C ATOM 0 H VAL A 265 -1.748 2.426 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 265 -0.787 2.941 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 265 -1.156 5.367 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 265 -3.580 5.244 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 265 -2.657 4.158 -7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 265 -3.544 3.495 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 265 -2.763 5.765 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 265 -2.702 4.038 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 265 -1.247 5.049 -3.526 1.00 0.00 H new ATOM 353 N ILE A 266 1.470 3.641 -6.019 1.00 0.00 N ATOM 354 CA ILE A 266 2.845 3.950 -5.715 1.00 0.00 C ATOM 355 C ILE A 266 3.050 5.453 -5.833 1.00 0.00 C ATOM 356 O ILE A 266 2.374 6.124 -6.616 1.00 0.00 O ATOM 357 CB ILE A 266 3.812 3.201 -6.664 1.00 0.00 C ATOM 358 CG1 ILE A 266 5.157 2.937 -6.003 1.00 0.00 C ATOM 359 CG2 ILE A 266 4.029 3.977 -7.944 1.00 0.00 C ATOM 360 CD1 ILE A 266 6.071 2.110 -6.878 1.00 0.00 C ATOM 0 H ILE A 266 1.290 3.468 -7.008 1.00 0.00 H new ATOM 0 HA ILE A 266 3.064 3.623 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 266 3.344 2.245 -6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 266 5.639 3.887 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 266 4.999 2.421 -5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 266 4.712 3.427 -8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 266 3.075 4.112 -8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 266 4.456 4.952 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 266 7.018 1.948 -6.364 1.00 0.00 H new ATOM 0 HD12 ILE A 266 5.602 1.148 -7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 266 6.252 2.637 -7.815 1.00 0.00 H new ATOM 372 N VAL A 267 3.941 5.980 -5.031 1.00 0.00 N ATOM 373 CA VAL A 267 4.256 7.391 -5.063 1.00 0.00 C ATOM 374 C VAL A 267 5.770 7.534 -4.999 1.00 0.00 C ATOM 375 O VAL A 267 6.478 6.527 -4.899 1.00 0.00 O ATOM 376 CB VAL A 267 3.601 8.152 -3.875 1.00 0.00 C ATOM 377 CG1 VAL A 267 3.462 9.640 -4.168 1.00 0.00 C ATOM 378 CG2 VAL A 267 2.247 7.554 -3.522 1.00 0.00 C ATOM 0 H VAL A 267 4.468 5.447 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 267 3.861 7.826 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 267 4.264 8.040 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 267 3.000 10.137 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 267 4.448 10.069 -4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 267 2.838 9.780 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 267 1.812 8.105 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 267 1.584 7.619 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 267 2.373 6.509 -3.239 1.00 0.00 H new ATOM 388 N SER A 268 6.267 8.756 -5.048 1.00 0.00 N ATOM 389 CA SER A 268 7.693 8.988 -4.909 1.00 0.00 C ATOM 390 C SER A 268 8.176 8.457 -3.557 1.00 0.00 C ATOM 391 O SER A 268 7.383 8.332 -2.619 1.00 0.00 O ATOM 392 CB SER A 268 7.991 10.482 -5.054 1.00 0.00 C ATOM 393 OG SER A 268 7.058 11.260 -4.323 1.00 0.00 O ATOM 0 H SER A 268 5.708 9.599 -5.182 1.00 0.00 H new ATOM 0 HA SER A 268 8.229 8.455 -5.695 1.00 0.00 H new ATOM 0 HB2 SER A 268 9.001 10.691 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 268 7.958 10.762 -6.107 1.00 0.00 H new ATOM 0 HG SER A 268 6.725 11.988 -4.888 1.00 0.00 H new ATOM 399 N THR A 269 9.464 8.106 -3.490 1.00 0.00 N ATOM 400 CA THR A 269 10.058 7.436 -2.324 1.00 0.00 C ATOM 401 C THR A 269 9.855 5.916 -2.425 1.00 0.00 C ATOM 402 O THR A 269 10.553 5.131 -1.780 1.00 0.00 O ATOM 403 CB THR A 269 9.486 7.977 -0.986 1.00 0.00 C ATOM 404 OG1 THR A 269 9.669 9.396 -0.924 1.00 0.00 O ATOM 405 CG2 THR A 269 10.142 7.331 0.227 1.00 0.00 C ATOM 0 H THR A 269 10.128 8.278 -4.245 1.00 0.00 H new ATOM 0 HA THR A 269 11.126 7.654 -2.328 1.00 0.00 H new ATOM 0 HB THR A 269 8.425 7.727 -0.961 1.00 0.00 H new ATOM 0 HG1 THR A 269 9.771 9.672 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 269 9.708 7.743 1.138 1.00 0.00 H new ATOM 0 HG22 THR A 269 9.976 6.254 0.200 1.00 0.00 H new ATOM 0 HG23 THR A 269 11.213 7.533 0.212 1.00 0.00 H new ATOM 413 N GLY A 270 8.904 5.505 -3.258 1.00 0.00 N ATOM 414 CA GLY A 270 8.682 4.087 -3.503 1.00 0.00 C ATOM 415 C GLY A 270 7.554 3.535 -2.663 1.00 0.00 C ATOM 416 O GLY A 270 7.438 2.327 -2.458 1.00 0.00 O ATOM 0 H GLY A 270 8.280 6.129 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 270 8.457 3.933 -4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 270 9.597 3.535 -3.288 1.00 0.00 H new ATOM 420 N GLN A 271 6.716 4.434 -2.189 1.00 0.00 N ATOM 421 CA GLN A 271 5.594 4.085 -1.330 1.00 0.00 C ATOM 422 C GLN A 271 4.441 3.490 -2.130 1.00 0.00 C ATOM 423 O GLN A 271 4.051 4.052 -3.140 1.00 0.00 O ATOM 424 CB GLN A 271 5.129 5.354 -0.627 1.00 0.00 C ATOM 425 CG GLN A 271 3.777 5.241 0.041 1.00 0.00 C ATOM 426 CD GLN A 271 3.227 6.589 0.456 1.00 0.00 C ATOM 427 OE1 GLN A 271 2.408 7.184 -0.399 1.00 0.00 O flip ATOM 428 NE2 GLN A 271 3.524 7.081 1.542 1.00 0.00 N flip ATOM 0 H GLN A 271 6.791 5.432 -2.387 1.00 0.00 H new ATOM 0 HA GLN A 271 5.915 3.333 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 271 5.869 5.630 0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 271 5.094 6.165 -1.354 1.00 0.00 H new ATOM 0 HG2 GLN A 271 3.076 4.760 -0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 271 3.860 4.599 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 271 4.159 6.587 2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 271 3.136 7.983 1.816 1.00 0.00 H new ATOM 437 N THR A 272 3.899 2.360 -1.681 1.00 0.00 N ATOM 438 CA THR A 272 2.722 1.788 -2.325 1.00 0.00 C ATOM 439 C THR A 272 1.686 1.346 -1.297 1.00 0.00 C ATOM 440 O THR A 272 1.838 0.305 -0.664 1.00 0.00 O ATOM 441 CB THR A 272 3.073 0.588 -3.224 1.00 0.00 C ATOM 442 OG1 THR A 272 4.271 0.857 -3.960 1.00 0.00 O ATOM 443 CG2 THR A 272 1.936 0.332 -4.186 1.00 0.00 C ATOM 0 H THR A 272 4.251 1.829 -0.884 1.00 0.00 H new ATOM 0 HA THR A 272 2.306 2.580 -2.947 1.00 0.00 H new ATOM 0 HB THR A 272 3.231 -0.291 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 272 4.823 0.048 -3.994 1.00 0.00 H new ATOM 0 HG21 THR A 272 2.183 -0.517 -4.823 1.00 0.00 H new ATOM 0 HG22 THR A 272 1.027 0.113 -3.625 1.00 0.00 H new ATOM 0 HG23 THR A 272 1.777 1.215 -4.804 1.00 0.00 H new ATOM 451 N TYR A 273 0.641 2.150 -1.130 1.00 0.00 N ATOM 452 CA TYR A 273 -0.438 1.835 -0.192 1.00 0.00 C ATOM 453 C TYR A 273 -1.784 2.041 -0.877 1.00 0.00 C ATOM 454 O TYR A 273 -1.831 2.479 -2.027 1.00 0.00 O ATOM 455 CB TYR A 273 -0.343 2.701 1.070 1.00 0.00 C ATOM 456 CG TYR A 273 0.985 2.576 1.776 1.00 0.00 C ATOM 457 CD1 TYR A 273 1.513 1.328 2.082 1.00 0.00 C ATOM 458 CD2 TYR A 273 1.722 3.699 2.111 1.00 0.00 C ATOM 459 CE1 TYR A 273 2.741 1.207 2.698 1.00 0.00 C ATOM 460 CE2 TYR A 273 2.948 3.586 2.734 1.00 0.00 C ATOM 461 CZ TYR A 273 3.455 2.339 3.020 1.00 0.00 C ATOM 462 OH TYR A 273 4.680 2.226 3.628 1.00 0.00 O ATOM 0 H TYR A 273 0.516 3.029 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 273 -0.342 0.793 0.112 1.00 0.00 H new ATOM 0 HB2 TYR A 273 -0.508 3.744 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 273 -1.141 2.420 1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 273 0.953 0.439 1.834 1.00 0.00 H new ATOM 0 HD2 TYR A 273 1.331 4.679 1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 273 3.140 0.230 2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 273 3.507 4.472 2.996 1.00 0.00 H new ATOM 0 HH TYR A 273 5.059 1.343 3.438 1.00 0.00 H new ATOM 472 N GLU A 274 -2.870 1.729 -0.183 1.00 0.00 N ATOM 473 CA GLU A 274 -4.201 1.852 -0.764 1.00 0.00 C ATOM 474 C GLU A 274 -4.682 3.296 -0.688 1.00 0.00 C ATOM 475 O GLU A 274 -4.513 3.959 0.338 1.00 0.00 O ATOM 476 CB GLU A 274 -5.177 0.916 -0.050 1.00 0.00 C ATOM 477 CG GLU A 274 -6.416 0.585 -0.864 1.00 0.00 C ATOM 478 CD GLU A 274 -7.575 1.526 -0.611 1.00 0.00 C ATOM 479 OE1 GLU A 274 -8.339 1.285 0.344 1.00 0.00 O ATOM 480 OE2 GLU A 274 -7.734 2.495 -1.375 1.00 0.00 O ATOM 0 H GLU A 274 -2.857 1.390 0.779 1.00 0.00 H new ATOM 0 HA GLU A 274 -4.154 1.564 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 274 -4.660 -0.010 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 274 -5.483 1.374 0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 274 -6.162 0.611 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 274 -6.729 -0.434 -0.636 1.00 0.00 H new ATOM 487 N ARG A 275 -5.286 3.766 -1.779 1.00 0.00 N ATOM 488 CA ARG A 275 -5.691 5.167 -1.931 1.00 0.00 C ATOM 489 C ARG A 275 -6.523 5.672 -0.765 1.00 0.00 C ATOM 490 O ARG A 275 -6.273 6.756 -0.250 1.00 0.00 O ATOM 491 CB ARG A 275 -6.496 5.357 -3.215 1.00 0.00 C ATOM 492 CG ARG A 275 -5.687 5.152 -4.476 1.00 0.00 C ATOM 493 CD ARG A 275 -6.527 5.374 -5.720 1.00 0.00 C ATOM 494 NE ARG A 275 -7.130 6.708 -5.743 1.00 0.00 N ATOM 495 CZ ARG A 275 -7.544 7.324 -6.850 1.00 0.00 C ATOM 496 NH1 ARG A 275 -7.398 6.740 -8.034 1.00 0.00 N ATOM 497 NH2 ARG A 275 -8.096 8.531 -6.768 1.00 0.00 N ATOM 0 H ARG A 275 -5.510 3.185 -2.587 1.00 0.00 H new ATOM 0 HA ARG A 275 -4.767 5.744 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 275 -7.334 4.660 -3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 275 -6.917 6.362 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 275 -4.840 5.838 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 275 -5.279 4.141 -4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 275 -5.906 5.242 -6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 275 -7.313 4.620 -5.766 1.00 0.00 H new ATOM 0 HE ARG A 275 -7.240 7.197 -4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 275 -6.968 5.817 -8.098 1.00 0.00 H new ATOM 0 HH12 ARG A 275 -7.716 7.214 -8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 275 -8.202 8.983 -5.860 1.00 0.00 H new ATOM 0 HH22 ARG A 275 -8.414 9.005 -7.613 1.00 0.00 H new ATOM 511 N SER A 276 -7.501 4.899 -0.341 1.00 0.00 N ATOM 512 CA SER A 276 -8.420 5.361 0.678 1.00 0.00 C ATOM 513 C SER A 276 -7.697 5.562 2.013 1.00 0.00 C ATOM 514 O SER A 276 -8.201 6.242 2.907 1.00 0.00 O ATOM 515 CB SER A 276 -9.588 4.382 0.835 1.00 0.00 C ATOM 516 OG SER A 276 -10.563 4.879 1.742 1.00 0.00 O ATOM 0 H SER A 276 -7.679 3.955 -0.683 1.00 0.00 H new ATOM 0 HA SER A 276 -8.821 6.324 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 276 -10.049 4.205 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 276 -9.214 3.422 1.190 1.00 0.00 H new ATOM 0 HG SER A 276 -10.136 5.490 2.379 1.00 0.00 H new ATOM 522 N SER A 277 -6.520 4.963 2.140 1.00 0.00 N ATOM 523 CA SER A 277 -5.691 5.160 3.312 1.00 0.00 C ATOM 524 C SER A 277 -4.658 6.261 3.061 1.00 0.00 C ATOM 525 O SER A 277 -4.528 7.194 3.850 1.00 0.00 O ATOM 526 CB SER A 277 -4.990 3.853 3.694 1.00 0.00 C ATOM 527 OG SER A 277 -5.931 2.839 4.013 1.00 0.00 O ATOM 0 H SER A 277 -6.121 4.336 1.441 1.00 0.00 H new ATOM 0 HA SER A 277 -6.331 5.468 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 277 -4.360 3.521 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 277 -4.334 4.025 4.547 1.00 0.00 H new ATOM 0 HG SER A 277 -5.456 2.016 4.252 1.00 0.00 H new ATOM 533 N ILE A 278 -3.950 6.161 1.938 1.00 0.00 N ATOM 534 CA ILE A 278 -2.837 7.071 1.650 1.00 0.00 C ATOM 535 C ILE A 278 -3.305 8.403 1.054 1.00 0.00 C ATOM 536 O ILE A 278 -2.890 9.473 1.500 1.00 0.00 O ATOM 537 CB ILE A 278 -1.793 6.410 0.703 1.00 0.00 C ATOM 538 CG1 ILE A 278 -0.664 7.381 0.395 1.00 0.00 C ATOM 539 CG2 ILE A 278 -2.431 5.940 -0.597 1.00 0.00 C ATOM 540 CD1 ILE A 278 0.032 7.896 1.622 1.00 0.00 C ATOM 0 H ILE A 278 -4.124 5.464 1.214 1.00 0.00 H new ATOM 0 HA ILE A 278 -2.365 7.282 2.610 1.00 0.00 H new ATOM 0 HB ILE A 278 -1.392 5.539 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 278 0.065 6.887 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -1.064 8.225 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 278 -1.671 5.484 -1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 278 -3.207 5.207 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 278 -2.872 6.792 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 278 0.826 8.583 1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 278 -0.685 8.419 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 278 0.461 7.060 2.174 1.00 0.00 H new ATOM 552 N GLN A 279 -4.195 8.340 0.082 1.00 0.00 N ATOM 553 CA GLN A 279 -4.605 9.528 -0.653 1.00 0.00 C ATOM 554 C GLN A 279 -5.556 10.352 0.173 1.00 0.00 C ATOM 555 O GLN A 279 -5.826 11.506 -0.133 1.00 0.00 O ATOM 556 CB GLN A 279 -5.254 9.146 -1.971 1.00 0.00 C ATOM 557 CG GLN A 279 -4.248 8.872 -3.059 1.00 0.00 C ATOM 558 CD GLN A 279 -3.572 10.147 -3.530 1.00 0.00 C ATOM 559 OE1 GLN A 279 -2.525 10.533 -3.020 1.00 0.00 O ATOM 560 NE2 GLN A 279 -4.178 10.823 -4.491 1.00 0.00 N ATOM 0 H GLN A 279 -4.650 7.479 -0.220 1.00 0.00 H new ATOM 0 HA GLN A 279 -3.716 10.122 -0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -5.873 8.261 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -5.918 9.949 -2.290 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -3.495 8.175 -2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -4.745 8.390 -3.901 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -5.048 10.471 -4.892 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -3.776 11.696 -4.832 1.00 0.00 H new ATOM 569 N LYS A 280 -6.064 9.739 1.214 1.00 0.00 N ATOM 570 CA LYS A 280 -6.865 10.428 2.190 1.00 0.00 C ATOM 571 C LYS A 280 -6.065 11.572 2.806 1.00 0.00 C ATOM 572 O LYS A 280 -6.570 12.685 2.952 1.00 0.00 O ATOM 573 CB LYS A 280 -7.302 9.418 3.246 1.00 0.00 C ATOM 574 CG LYS A 280 -7.389 9.973 4.653 1.00 0.00 C ATOM 575 CD LYS A 280 -7.264 8.853 5.663 1.00 0.00 C ATOM 576 CE LYS A 280 -8.496 7.963 5.655 1.00 0.00 C ATOM 577 NZ LYS A 280 -8.493 6.982 6.770 1.00 0.00 N ATOM 0 H LYS A 280 -5.932 8.746 1.407 1.00 0.00 H new ATOM 0 HA LYS A 280 -7.749 10.864 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 280 -8.277 9.019 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 280 -6.602 8.582 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 280 -6.599 10.707 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 280 -8.338 10.492 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 280 -6.380 8.256 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 280 -7.122 9.273 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 280 -9.390 8.584 5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 280 -8.550 7.430 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 -9.353 6.399 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 -7.655 6.371 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 -8.469 7.489 7.678 1.00 0.00 H new ATOM 591 N TRP A 281 -4.808 11.302 3.140 1.00 0.00 N ATOM 592 CA TRP A 281 -3.979 12.307 3.774 1.00 0.00 C ATOM 593 C TRP A 281 -3.060 12.995 2.759 1.00 0.00 C ATOM 594 O TRP A 281 -2.766 14.184 2.900 1.00 0.00 O ATOM 595 CB TRP A 281 -3.218 11.699 4.969 1.00 0.00 C ATOM 596 CG TRP A 281 -1.791 11.318 4.732 1.00 0.00 C ATOM 597 CD1 TRP A 281 -0.754 12.145 4.420 1.00 0.00 C ATOM 598 CD2 TRP A 281 -1.234 10.014 4.859 1.00 0.00 C ATOM 599 NE1 TRP A 281 0.401 11.426 4.300 1.00 0.00 N ATOM 600 CE2 TRP A 281 0.137 10.119 4.574 1.00 0.00 C ATOM 601 CE3 TRP A 281 -1.766 8.761 5.171 1.00 0.00 C ATOM 602 CZ2 TRP A 281 0.986 9.029 4.604 1.00 0.00 C ATOM 603 CZ3 TRP A 281 -0.919 7.675 5.199 1.00 0.00 C ATOM 604 CH2 TRP A 281 0.444 7.815 4.914 1.00 0.00 C ATOM 0 H TRP A 281 -4.349 10.405 2.983 1.00 0.00 H new ATOM 0 HA TRP A 281 -4.620 13.093 4.173 1.00 0.00 H new ATOM 0 HB2 TRP A 281 -3.247 12.414 5.791 1.00 0.00 H new ATOM 0 HB3 TRP A 281 -3.757 10.811 5.300 1.00 0.00 H new ATOM 0 HD1 TRP A 281 -0.834 13.214 4.287 1.00 0.00 H new ATOM 0 HE1 TRP A 281 1.313 11.806 4.046 1.00 0.00 H new ATOM 0 HE3 TRP A 281 -2.818 8.646 5.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 281 2.039 9.134 4.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 281 -1.313 6.700 5.445 1.00 0.00 H new ATOM 0 HH2 TRP A 281 1.081 6.943 4.940 1.00 0.00 H new ATOM 615 N LEU A 282 -2.606 12.268 1.732 1.00 0.00 N ATOM 616 CA LEU A 282 -1.808 12.893 0.674 1.00 0.00 C ATOM 617 C LEU A 282 -2.590 14.015 0.002 1.00 0.00 C ATOM 618 O LEU A 282 -2.040 15.072 -0.303 1.00 0.00 O ATOM 619 CB LEU A 282 -1.372 11.876 -0.378 1.00 0.00 C ATOM 620 CG LEU A 282 -0.201 10.975 0.015 1.00 0.00 C ATOM 621 CD1 LEU A 282 0.291 10.199 -1.199 1.00 0.00 C ATOM 622 CD2 LEU A 282 0.931 11.796 0.612 1.00 0.00 C ATOM 0 H LEU A 282 -2.773 11.269 1.612 1.00 0.00 H new ATOM 0 HA LEU A 282 -0.916 13.305 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 282 -2.226 11.244 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 282 -1.103 12.414 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 282 -0.545 10.268 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 282 1.125 9.560 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 282 -0.519 9.583 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 282 0.620 10.897 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 282 1.754 11.136 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 282 1.278 12.525 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 282 0.574 12.317 1.500 1.00 0.00 H new ATOM 634 N ASP A 283 -3.878 13.784 -0.206 1.00 0.00 N ATOM 635 CA ASP A 283 -4.740 14.782 -0.834 1.00 0.00 C ATOM 636 C ASP A 283 -4.928 15.981 0.090 1.00 0.00 C ATOM 637 O ASP A 283 -5.209 17.093 -0.356 1.00 0.00 O ATOM 638 CB ASP A 283 -6.093 14.166 -1.191 1.00 0.00 C ATOM 639 CG ASP A 283 -6.995 15.108 -1.957 1.00 0.00 C ATOM 640 OD1 ASP A 283 -6.748 15.318 -3.162 1.00 0.00 O ATOM 641 OD2 ASP A 283 -7.971 15.612 -1.362 1.00 0.00 O ATOM 0 H ASP A 283 -4.351 12.917 0.049 1.00 0.00 H new ATOM 0 HA ASP A 283 -4.262 15.125 -1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 283 -5.930 13.267 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 283 -6.596 13.856 -0.275 1.00 0.00 H new ATOM 646 N ALA A 284 -4.736 15.750 1.384 1.00 0.00 N ATOM 647 CA ALA A 284 -4.841 16.807 2.383 1.00 0.00 C ATOM 648 C ALA A 284 -3.616 17.726 2.356 1.00 0.00 C ATOM 649 O ALA A 284 -3.575 18.744 3.055 1.00 0.00 O ATOM 650 CB ALA A 284 -5.020 16.204 3.765 1.00 0.00 C ATOM 0 H ALA A 284 -4.505 14.833 1.768 1.00 0.00 H new ATOM 0 HA ALA A 284 -5.715 17.412 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -5.097 17.002 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -5.929 15.602 3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -4.163 15.574 4.001 1.00 0.00 H new ATOM 656 N GLY A 285 -2.613 17.349 1.571 1.00 0.00 N ATOM 657 CA GLY A 285 -1.455 18.206 1.377 1.00 0.00 C ATOM 658 C GLY A 285 -0.252 17.775 2.193 1.00 0.00 C ATOM 659 O GLY A 285 0.759 18.477 2.235 1.00 0.00 O ATOM 0 H GLY A 285 -2.580 16.464 1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 285 -1.187 18.211 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 285 -1.719 19.229 1.643 1.00 0.00 H new ATOM 663 N HIS A 286 -0.348 16.623 2.838 1.00 0.00 N ATOM 664 CA HIS A 286 0.753 16.125 3.656 1.00 0.00 C ATOM 665 C HIS A 286 1.534 15.070 2.894 1.00 0.00 C ATOM 666 O HIS A 286 1.211 13.887 2.928 1.00 0.00 O ATOM 667 CB HIS A 286 0.244 15.562 4.991 1.00 0.00 C ATOM 668 CG HIS A 286 -0.362 16.597 5.889 1.00 0.00 C ATOM 669 ND1 HIS A 286 0.099 16.883 7.156 1.00 0.00 N ATOM 670 CD2 HIS A 286 -1.424 17.418 5.685 1.00 0.00 C ATOM 671 CE1 HIS A 286 -0.677 17.846 7.668 1.00 0.00 C ATOM 672 NE2 HIS A 286 -1.616 18.208 6.812 1.00 0.00 N ATOM 0 H HIS A 286 -1.169 16.018 2.813 1.00 0.00 H new ATOM 0 HA HIS A 286 1.416 16.961 3.880 1.00 0.00 H new ATOM 0 HB2 HIS A 286 -0.498 14.789 4.790 1.00 0.00 H new ATOM 0 HB3 HIS A 286 1.072 15.082 5.512 1.00 0.00 H new ATOM 0 HD2 HIS A 286 -2.025 17.452 4.788 1.00 0.00 H new ATOM 0 HE1 HIS A 286 -0.552 18.272 8.653 1.00 0.00 H new ATOM 0 HE2 HIS A 286 -2.333 18.920 6.950 1.00 0.00 H new ATOM 680 N LYS A 287 2.560 15.513 2.192 1.00 0.00 N ATOM 681 CA LYS A 287 3.329 14.641 1.322 1.00 0.00 C ATOM 682 C LYS A 287 4.552 14.060 2.033 1.00 0.00 C ATOM 683 O LYS A 287 5.680 14.505 1.835 1.00 0.00 O ATOM 684 CB LYS A 287 3.719 15.404 0.053 1.00 0.00 C ATOM 685 CG LYS A 287 4.114 16.853 0.312 1.00 0.00 C ATOM 686 CD LYS A 287 3.783 17.736 -0.880 1.00 0.00 C ATOM 687 CE LYS A 287 3.959 19.216 -0.561 1.00 0.00 C ATOM 688 NZ LYS A 287 5.367 19.562 -0.224 1.00 0.00 N ATOM 0 H LYS A 287 2.883 16.480 2.208 1.00 0.00 H new ATOM 0 HA LYS A 287 2.708 13.790 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 287 4.550 14.890 -0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 287 2.883 15.383 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 287 3.594 17.222 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 287 5.182 16.909 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 287 4.424 17.467 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 287 2.755 17.552 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 287 3.637 19.810 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 287 3.312 19.484 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 287 5.441 20.584 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 287 5.658 19.042 0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 287 5.988 19.301 -1.017 1.00 0.00 H new ATOM 702 N THR A 288 4.302 13.068 2.876 1.00 0.00 N ATOM 703 CA THR A 288 5.354 12.362 3.602 1.00 0.00 C ATOM 704 C THR A 288 4.968 10.894 3.771 1.00 0.00 C ATOM 705 O THR A 288 3.793 10.591 3.964 1.00 0.00 O ATOM 706 CB THR A 288 5.580 12.973 5.005 1.00 0.00 C ATOM 707 OG1 THR A 288 4.320 13.201 5.646 1.00 0.00 O ATOM 708 CG2 THR A 288 6.362 14.274 4.932 1.00 0.00 C ATOM 0 H THR A 288 3.362 12.727 3.078 1.00 0.00 H new ATOM 0 HA THR A 288 6.273 12.454 3.024 1.00 0.00 H new ATOM 0 HB THR A 288 6.166 12.262 5.587 1.00 0.00 H new ATOM 0 HG1 THR A 288 4.470 13.586 6.535 1.00 0.00 H new ATOM 0 HG21 THR A 288 6.500 14.672 5.937 1.00 0.00 H new ATOM 0 HG22 THR A 288 7.335 14.088 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 288 5.812 14.996 4.328 1.00 0.00 H new ATOM 716 N CYS A 289 5.942 9.990 3.679 1.00 0.00 N ATOM 717 CA CYS A 289 5.697 8.575 3.935 1.00 0.00 C ATOM 718 C CYS A 289 5.364 8.341 5.410 1.00 0.00 C ATOM 719 O CYS A 289 5.917 9.002 6.286 1.00 0.00 O ATOM 720 CB CYS A 289 6.919 7.752 3.524 1.00 0.00 C ATOM 721 SG CYS A 289 6.713 6.870 1.962 1.00 0.00 S ATOM 0 H CYS A 289 6.906 10.213 3.430 1.00 0.00 H new ATOM 0 HA CYS A 289 4.841 8.256 3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 289 7.781 8.414 3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 289 7.141 7.031 4.311 1.00 0.00 H new ATOM 0 HG CYS A 289 7.796 6.203 1.694 1.00 0.00 H new ATOM 727 N PRO A 290 4.458 7.393 5.708 1.00 0.00 N ATOM 728 CA PRO A 290 4.037 7.098 7.085 1.00 0.00 C ATOM 729 C PRO A 290 5.063 6.258 7.840 1.00 0.00 C ATOM 730 O PRO A 290 4.866 5.904 9.002 1.00 0.00 O ATOM 731 CB PRO A 290 2.756 6.295 6.885 1.00 0.00 C ATOM 732 CG PRO A 290 2.956 5.597 5.586 1.00 0.00 C ATOM 733 CD PRO A 290 3.764 6.537 4.729 1.00 0.00 C ATOM 0 HA PRO A 290 3.914 8.004 7.678 1.00 0.00 H new ATOM 0 HB2 PRO A 290 2.601 5.585 7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 290 1.881 6.944 6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 290 3.479 4.651 5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 290 2.000 5.365 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 290 4.470 5.997 4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 290 3.127 7.122 4.066 1.00 0.00 H new ATOM 741 N LYS A 291 6.157 5.947 7.164 1.00 0.00 N ATOM 742 CA LYS A 291 7.168 5.055 7.703 1.00 0.00 C ATOM 743 C LYS A 291 8.177 5.820 8.552 1.00 0.00 C ATOM 744 O LYS A 291 8.326 5.557 9.745 1.00 0.00 O ATOM 745 CB LYS A 291 7.860 4.332 6.547 1.00 0.00 C ATOM 746 CG LYS A 291 6.882 3.554 5.681 1.00 0.00 C ATOM 747 CD LYS A 291 7.532 2.980 4.432 1.00 0.00 C ATOM 748 CE LYS A 291 7.951 4.062 3.454 1.00 0.00 C ATOM 749 NZ LYS A 291 8.493 3.467 2.202 1.00 0.00 N ATOM 0 H LYS A 291 6.368 6.304 6.232 1.00 0.00 H new ATOM 0 HA LYS A 291 6.691 4.322 8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 291 8.387 5.060 5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 291 8.610 3.649 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 291 6.451 2.742 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 291 6.061 4.209 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 291 8.405 2.392 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 291 6.835 2.300 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 291 7.096 4.696 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 291 8.705 4.701 3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 291 8.773 4.227 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 291 9.322 2.881 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 291 7.763 2.877 1.754 1.00 0.00 H new ATOM 763 N SER A 292 8.858 6.773 7.940 1.00 0.00 N ATOM 764 CA SER A 292 9.829 7.588 8.650 1.00 0.00 C ATOM 765 C SER A 292 9.606 9.054 8.310 1.00 0.00 C ATOM 766 O SER A 292 10.444 9.907 8.594 1.00 0.00 O ATOM 767 CB SER A 292 11.249 7.164 8.270 1.00 0.00 C ATOM 768 OG SER A 292 11.376 5.752 8.293 1.00 0.00 O ATOM 0 H SER A 292 8.756 7.002 6.951 1.00 0.00 H new ATOM 0 HA SER A 292 9.702 7.448 9.723 1.00 0.00 H new ATOM 0 HB2 SER A 292 11.492 7.539 7.276 1.00 0.00 H new ATOM 0 HB3 SER A 292 11.964 7.609 8.962 1.00 0.00 H new ATOM 0 HG SER A 292 12.291 5.502 8.046 1.00 0.00 H new ATOM 774 N GLN A 293 8.449 9.325 7.704 1.00 0.00 N ATOM 775 CA GLN A 293 8.077 10.665 7.269 1.00 0.00 C ATOM 776 C GLN A 293 8.998 11.142 6.164 1.00 0.00 C ATOM 777 O GLN A 293 9.243 12.342 6.015 1.00 0.00 O ATOM 778 CB GLN A 293 8.041 11.662 8.432 1.00 0.00 C ATOM 779 CG GLN A 293 6.711 11.663 9.169 1.00 0.00 C ATOM 780 CD GLN A 293 6.734 10.887 10.475 1.00 0.00 C ATOM 781 OE1 GLN A 293 7.565 9.864 10.547 1.00 0.00 O flip ATOM 782 NE2 GLN A 293 6.011 11.212 11.416 1.00 0.00 N flip ATOM 0 H GLN A 293 7.744 8.616 7.502 1.00 0.00 H new ATOM 0 HA GLN A 293 7.063 10.610 6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 293 8.840 11.423 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 293 8.241 12.664 8.052 1.00 0.00 H new ATOM 0 HG2 GLN A 293 6.421 12.693 9.374 1.00 0.00 H new ATOM 0 HG3 GLN A 293 5.945 11.240 8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 293 5.381 12.009 11.324 1.00 0.00 H new ATOM 0 HE22 GLN A 293 6.042 10.685 12.289 1.00 0.00 H new ATOM 791 N GLU A 294 9.484 10.186 5.377 1.00 0.00 N ATOM 792 CA GLU A 294 10.243 10.492 4.184 1.00 0.00 C ATOM 793 C GLU A 294 9.386 11.367 3.288 1.00 0.00 C ATOM 794 O GLU A 294 8.369 10.915 2.765 1.00 0.00 O ATOM 795 CB GLU A 294 10.648 9.211 3.437 1.00 0.00 C ATOM 796 CG GLU A 294 11.403 8.200 4.287 1.00 0.00 C ATOM 797 CD GLU A 294 10.501 7.158 4.923 1.00 0.00 C ATOM 798 OE1 GLU A 294 9.405 7.517 5.405 1.00 0.00 O ATOM 799 OE2 GLU A 294 10.889 5.972 4.940 1.00 0.00 O ATOM 0 H GLU A 294 9.361 9.189 5.552 1.00 0.00 H new ATOM 0 HA GLU A 294 11.160 11.012 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 294 9.750 8.736 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 294 11.267 9.484 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 294 12.146 7.698 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 294 11.946 8.728 5.071 1.00 0.00 H new ATOM 806 N THR A 295 9.768 12.625 3.171 1.00 0.00 N ATOM 807 CA THR A 295 8.987 13.593 2.430 1.00 0.00 C ATOM 808 C THR A 295 8.863 13.185 0.968 1.00 0.00 C ATOM 809 O THR A 295 9.856 13.132 0.240 1.00 0.00 O ATOM 810 CB THR A 295 9.625 14.989 2.527 1.00 0.00 C ATOM 811 OG1 THR A 295 9.997 15.254 3.886 1.00 0.00 O ATOM 812 CG2 THR A 295 8.667 16.065 2.043 1.00 0.00 C ATOM 0 H THR A 295 10.622 13.001 3.584 1.00 0.00 H new ATOM 0 HA THR A 295 7.990 13.626 2.870 1.00 0.00 H new ATOM 0 HB THR A 295 10.509 15.006 1.890 1.00 0.00 H new ATOM 0 HG1 THR A 295 10.405 16.143 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 295 9.145 17.041 2.123 1.00 0.00 H new ATOM 0 HG22 THR A 295 8.402 15.875 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 295 7.765 16.051 2.655 1.00 0.00 H new ATOM 820 N LEU A 296 7.645 12.868 0.553 1.00 0.00 N ATOM 821 CA LEU A 296 7.387 12.538 -0.835 1.00 0.00 C ATOM 822 C LEU A 296 7.412 13.838 -1.628 1.00 0.00 C ATOM 823 O LEU A 296 6.388 14.509 -1.750 1.00 0.00 O ATOM 824 CB LEU A 296 6.030 11.836 -1.000 1.00 0.00 C ATOM 825 CG LEU A 296 5.602 10.944 0.171 1.00 0.00 C ATOM 826 CD1 LEU A 296 4.178 10.436 -0.023 1.00 0.00 C ATOM 827 CD2 LEU A 296 6.564 9.781 0.338 1.00 0.00 C ATOM 0 H LEU A 296 6.824 12.833 1.158 1.00 0.00 H new ATOM 0 HA LEU A 296 8.148 11.848 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 296 5.264 12.596 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 296 6.063 11.228 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 296 5.627 11.546 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 296 3.898 9.806 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 296 3.495 11.283 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 296 4.121 9.855 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 296 6.243 9.160 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 296 6.575 9.184 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 296 7.566 10.163 0.534 1.00 0.00 H new ATOM 839 N LEU A 297 8.606 14.215 -2.096 1.00 0.00 N ATOM 840 CA LEU A 297 8.843 15.523 -2.718 1.00 0.00 C ATOM 841 C LEU A 297 7.750 15.886 -3.713 1.00 0.00 C ATOM 842 O LEU A 297 7.005 16.843 -3.506 1.00 0.00 O ATOM 843 CB LEU A 297 10.201 15.546 -3.422 1.00 0.00 C ATOM 844 CG LEU A 297 10.638 16.915 -3.946 1.00 0.00 C ATOM 845 CD1 LEU A 297 10.764 17.909 -2.799 1.00 0.00 C ATOM 846 CD2 LEU A 297 11.949 16.795 -4.707 1.00 0.00 C ATOM 0 H LEU A 297 9.436 13.623 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 297 8.834 16.263 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 297 10.958 15.181 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 297 10.171 14.847 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 297 9.877 17.286 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 297 11.076 18.878 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 297 9.801 18.012 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 297 11.506 17.550 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 297 12.248 17.777 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 297 12.721 16.406 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 297 11.819 16.116 -5.550 1.00 0.00 H new ATOM 858 N HIS A 298 7.665 15.125 -4.786 1.00 0.00 N ATOM 859 CA HIS A 298 6.634 15.342 -5.783 1.00 0.00 C ATOM 860 C HIS A 298 5.616 14.222 -5.703 1.00 0.00 C ATOM 861 O HIS A 298 5.925 13.066 -6.004 1.00 0.00 O ATOM 862 CB HIS A 298 7.240 15.422 -7.188 1.00 0.00 C ATOM 863 CG HIS A 298 8.238 16.529 -7.343 1.00 0.00 C ATOM 864 ND1 HIS A 298 9.321 16.474 -8.189 1.00 0.00 N ATOM 865 CD2 HIS A 298 8.295 17.747 -6.745 1.00 0.00 C ATOM 866 CE1 HIS A 298 9.987 17.629 -8.085 1.00 0.00 C ATOM 867 NE2 HIS A 298 9.404 18.440 -7.222 1.00 0.00 N ATOM 0 H HIS A 298 8.297 14.351 -4.990 1.00 0.00 H new ATOM 0 HA HIS A 298 6.140 16.293 -5.582 1.00 0.00 H new ATOM 0 HB2 HIS A 298 7.722 14.473 -7.422 1.00 0.00 H new ATOM 0 HB3 HIS A 298 6.439 15.561 -7.914 1.00 0.00 H new ATOM 0 HD2 HIS A 298 7.591 18.119 -6.015 1.00 0.00 H new ATOM 0 HE1 HIS A 298 10.885 17.867 -8.636 1.00 0.00 H new ATOM 0 HE2 HIS A 298 9.704 19.379 -6.959 1.00 0.00 H new ATOM 875 N ALA A 299 4.413 14.553 -5.264 1.00 0.00 N ATOM 876 CA ALA A 299 3.370 13.559 -5.119 1.00 0.00 C ATOM 877 C ALA A 299 2.753 13.244 -6.475 1.00 0.00 C ATOM 878 O ALA A 299 1.837 13.928 -6.934 1.00 0.00 O ATOM 879 CB ALA A 299 2.309 14.027 -4.127 1.00 0.00 C ATOM 0 H ALA A 299 4.138 15.500 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 299 3.812 12.645 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 299 1.536 13.264 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 299 2.770 14.196 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 299 1.862 14.955 -4.483 1.00 0.00 H new ATOM 885 N GLY A 300 3.291 12.226 -7.122 1.00 0.00 N ATOM 886 CA GLY A 300 2.758 11.772 -8.385 1.00 0.00 C ATOM 887 C GLY A 300 2.218 10.373 -8.255 1.00 0.00 C ATOM 888 O GLY A 300 2.952 9.401 -8.428 1.00 0.00 O ATOM 0 H GLY A 300 4.099 11.699 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 300 1.967 12.445 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 300 3.538 11.798 -9.146 1.00 0.00 H new ATOM 892 N LEU A 301 0.939 10.274 -7.929 1.00 0.00 N ATOM 893 CA LEU A 301 0.325 8.993 -7.631 1.00 0.00 C ATOM 894 C LEU A 301 0.348 8.108 -8.872 1.00 0.00 C ATOM 895 O LEU A 301 -0.202 8.468 -9.912 1.00 0.00 O ATOM 896 CB LEU A 301 -1.117 9.196 -7.160 1.00 0.00 C ATOM 897 CG LEU A 301 -1.688 8.067 -6.304 1.00 0.00 C ATOM 898 CD1 LEU A 301 -1.151 8.158 -4.881 1.00 0.00 C ATOM 899 CD2 LEU A 301 -3.209 8.108 -6.320 1.00 0.00 C ATOM 0 H LEU A 301 0.305 11.070 -7.864 1.00 0.00 H new ATOM 0 HA LEU A 301 0.889 8.507 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 301 -1.169 10.124 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 301 -1.753 9.324 -8.036 1.00 0.00 H new ATOM 0 HG LEU A 301 -1.372 7.112 -6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 301 -1.567 7.347 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 301 -0.064 8.077 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 301 -1.438 9.115 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 301 -3.601 7.298 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 301 -3.551 9.063 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 301 -3.565 7.993 -7.344 1.00 0.00 H new ATOM 911 N THR A 302 0.996 6.968 -8.753 1.00 0.00 N ATOM 912 CA THR A 302 1.220 6.078 -9.876 1.00 0.00 C ATOM 913 C THR A 302 0.699 4.671 -9.564 1.00 0.00 C ATOM 914 O THR A 302 0.990 4.123 -8.511 1.00 0.00 O ATOM 915 CB THR A 302 2.731 6.036 -10.176 1.00 0.00 C ATOM 916 OG1 THR A 302 3.181 7.332 -10.595 1.00 0.00 O ATOM 917 CG2 THR A 302 3.084 4.998 -11.228 1.00 0.00 C ATOM 0 H THR A 302 1.384 6.630 -7.872 1.00 0.00 H new ATOM 0 HA THR A 302 0.679 6.447 -10.747 1.00 0.00 H new ATOM 0 HB THR A 302 3.238 5.747 -9.255 1.00 0.00 H new ATOM 0 HG1 THR A 302 3.084 7.967 -9.855 1.00 0.00 H new ATOM 0 HG21 THR A 302 4.160 5.009 -11.403 1.00 0.00 H new ATOM 0 HG22 THR A 302 2.783 4.010 -10.880 1.00 0.00 H new ATOM 0 HG23 THR A 302 2.563 5.230 -12.157 1.00 0.00 H new ATOM 925 N PRO A 303 -0.106 4.081 -10.456 1.00 0.00 N ATOM 926 CA PRO A 303 -0.631 2.721 -10.266 1.00 0.00 C ATOM 927 C PRO A 303 0.481 1.670 -10.195 1.00 0.00 C ATOM 928 O PRO A 303 1.245 1.503 -11.148 1.00 0.00 O ATOM 929 CB PRO A 303 -1.499 2.492 -11.510 1.00 0.00 C ATOM 930 CG PRO A 303 -1.789 3.856 -12.038 1.00 0.00 C ATOM 931 CD PRO A 303 -0.587 4.688 -11.703 1.00 0.00 C ATOM 0 HA PRO A 303 -1.175 2.627 -9.326 1.00 0.00 H new ATOM 0 HB2 PRO A 303 -0.976 1.886 -12.250 1.00 0.00 H new ATOM 0 HB3 PRO A 303 -2.418 1.963 -11.257 1.00 0.00 H new ATOM 0 HG2 PRO A 303 -1.959 3.831 -13.114 1.00 0.00 H new ATOM 0 HG3 PRO A 303 -2.689 4.268 -11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 303 0.166 4.645 -12.490 1.00 0.00 H new ATOM 0 HD3 PRO A 303 -0.847 5.738 -11.567 1.00 0.00 H new ATOM 939 N ASN A 304 0.574 0.972 -9.062 1.00 0.00 N ATOM 940 CA ASN A 304 1.571 -0.084 -8.894 1.00 0.00 C ATOM 941 C ASN A 304 0.932 -1.439 -9.181 1.00 0.00 C ATOM 942 O ASN A 304 0.044 -1.880 -8.449 1.00 0.00 O ATOM 943 CB ASN A 304 2.136 -0.092 -7.478 1.00 0.00 C ATOM 944 CG ASN A 304 3.398 -0.926 -7.374 1.00 0.00 C ATOM 945 OD1 ASN A 304 3.617 -1.839 -8.166 1.00 0.00 O ATOM 946 ND2 ASN A 304 4.230 -0.641 -6.387 1.00 0.00 N ATOM 0 H ASN A 304 -0.027 1.119 -8.251 1.00 0.00 H new ATOM 0 HA ASN A 304 2.386 0.107 -9.592 1.00 0.00 H new ATOM 0 HB2 ASN A 304 2.351 0.931 -7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 304 1.386 -0.483 -6.791 1.00 0.00 H new ATOM 0 HD21 ASN A 304 5.084 -1.186 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 304 4.018 0.124 -5.746 1.00 0.00 H new ATOM 953 N TYR A 305 1.374 -2.094 -10.239 1.00 0.00 N ATOM 954 CA TYR A 305 0.762 -3.345 -10.662 1.00 0.00 C ATOM 955 C TYR A 305 1.401 -4.574 -10.012 1.00 0.00 C ATOM 956 O TYR A 305 0.906 -5.688 -10.186 1.00 0.00 O ATOM 957 CB TYR A 305 0.811 -3.464 -12.185 1.00 0.00 C ATOM 958 CG TYR A 305 -0.062 -2.449 -12.882 1.00 0.00 C ATOM 959 CD1 TYR A 305 -1.441 -2.594 -12.893 1.00 0.00 C ATOM 960 CD2 TYR A 305 0.488 -1.345 -13.521 1.00 0.00 C ATOM 961 CE1 TYR A 305 -2.250 -1.670 -13.520 1.00 0.00 C ATOM 962 CE2 TYR A 305 -0.315 -0.416 -14.153 1.00 0.00 C ATOM 963 CZ TYR A 305 -1.685 -0.583 -14.149 1.00 0.00 C ATOM 964 OH TYR A 305 -2.495 0.340 -14.772 1.00 0.00 O ATOM 0 H TYR A 305 2.152 -1.784 -10.821 1.00 0.00 H new ATOM 0 HA TYR A 305 -0.275 -3.319 -10.327 1.00 0.00 H new ATOM 0 HB2 TYR A 305 1.841 -3.342 -12.521 1.00 0.00 H new ATOM 0 HB3 TYR A 305 0.498 -4.466 -12.476 1.00 0.00 H new ATOM 0 HD1 TYR A 305 -1.889 -3.445 -12.402 1.00 0.00 H new ATOM 0 HD2 TYR A 305 1.560 -1.211 -13.524 1.00 0.00 H new ATOM 0 HE1 TYR A 305 -3.322 -1.798 -13.518 1.00 0.00 H new ATOM 0 HE2 TYR A 305 0.127 0.436 -14.648 1.00 0.00 H new ATOM 0 HH TYR A 305 -1.942 1.047 -15.167 1.00 0.00 H new ATOM 974 N VAL A 306 2.476 -4.387 -9.249 1.00 0.00 N ATOM 975 CA VAL A 306 3.224 -5.531 -8.728 1.00 0.00 C ATOM 976 C VAL A 306 2.449 -6.294 -7.649 1.00 0.00 C ATOM 977 O VAL A 306 2.308 -7.512 -7.727 1.00 0.00 O ATOM 978 CB VAL A 306 4.632 -5.141 -8.185 1.00 0.00 C ATOM 979 CG1 VAL A 306 5.417 -4.375 -9.237 1.00 0.00 C ATOM 980 CG2 VAL A 306 4.559 -4.341 -6.884 1.00 0.00 C ATOM 0 H VAL A 306 2.844 -3.474 -8.981 1.00 0.00 H new ATOM 0 HA VAL A 306 3.364 -6.189 -9.586 1.00 0.00 H new ATOM 0 HB VAL A 306 5.152 -6.071 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 306 6.397 -4.111 -8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 306 5.540 -4.997 -10.124 1.00 0.00 H new ATOM 0 HG13 VAL A 306 4.877 -3.466 -9.504 1.00 0.00 H new ATOM 0 HG21 VAL A 306 5.567 -4.096 -6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 306 3.999 -3.421 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 306 4.058 -4.935 -6.119 1.00 0.00 H new ATOM 990 N LEU A 307 1.931 -5.582 -6.656 1.00 0.00 N ATOM 991 CA LEU A 307 1.379 -6.233 -5.474 1.00 0.00 C ATOM 992 C LEU A 307 -0.135 -6.421 -5.532 1.00 0.00 C ATOM 993 O LEU A 307 -0.687 -7.067 -4.659 1.00 0.00 O ATOM 994 CB LEU A 307 1.772 -5.506 -4.181 1.00 0.00 C ATOM 995 CG LEU A 307 1.167 -4.120 -3.965 1.00 0.00 C ATOM 996 CD1 LEU A 307 1.265 -3.727 -2.508 1.00 0.00 C ATOM 997 CD2 LEU A 307 1.868 -3.082 -4.826 1.00 0.00 C ATOM 0 H LEU A 307 1.881 -4.563 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 307 1.824 -7.228 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 307 1.491 -6.136 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 307 2.858 -5.411 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 307 0.117 -4.160 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 307 0.830 -2.737 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 307 0.723 -4.451 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 307 2.312 -3.709 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 307 1.419 -2.104 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 307 2.926 -3.047 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.763 -3.350 -5.877 1.00 0.00 H new ATOM 1009 N LYS A 308 -0.811 -5.856 -6.533 1.00 0.00 N ATOM 1010 CA LYS A 308 -2.265 -6.009 -6.647 1.00 0.00 C ATOM 1011 C LYS A 308 -2.636 -7.486 -6.673 1.00 0.00 C ATOM 1012 O LYS A 308 -3.614 -7.888 -6.063 1.00 0.00 O ATOM 1013 CB LYS A 308 -2.797 -5.321 -7.907 1.00 0.00 C ATOM 1014 CG LYS A 308 -4.261 -5.636 -8.171 1.00 0.00 C ATOM 1015 CD LYS A 308 -4.829 -4.827 -9.319 1.00 0.00 C ATOM 1016 CE LYS A 308 -4.873 -3.347 -8.981 1.00 0.00 C ATOM 1017 NZ LYS A 308 -5.690 -2.576 -9.952 1.00 0.00 N ATOM 0 H LYS A 308 -0.383 -5.294 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 308 -2.721 -5.535 -5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 308 -2.673 -4.243 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 308 -2.202 -5.632 -8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 308 -4.367 -6.698 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 308 -4.841 -5.438 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 308 -4.222 -4.981 -10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 308 -5.834 -5.179 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 308 -5.282 -3.216 -7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 308 -3.858 -2.949 -8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 -5.706 -1.574 -9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 -5.276 -2.665 -10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 -6.661 -2.949 -9.962 1.00 0.00 H new ATOM 1031 N SER A 309 -1.835 -8.290 -7.360 1.00 0.00 N ATOM 1032 CA SER A 309 -2.084 -9.719 -7.431 1.00 0.00 C ATOM 1033 C SER A 309 -1.718 -10.386 -6.098 1.00 0.00 C ATOM 1034 O SER A 309 -2.315 -11.387 -5.702 1.00 0.00 O ATOM 1035 CB SER A 309 -1.284 -10.338 -8.581 1.00 0.00 C ATOM 1036 OG SER A 309 -1.670 -11.680 -8.816 1.00 0.00 O ATOM 0 H SER A 309 -1.011 -7.976 -7.873 1.00 0.00 H new ATOM 0 HA SER A 309 -3.145 -9.884 -7.620 1.00 0.00 H new ATOM 0 HB2 SER A 309 -1.433 -9.751 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 309 -0.220 -10.299 -8.348 1.00 0.00 H new ATOM 0 HG SER A 309 -1.143 -12.047 -9.556 1.00 0.00 H new ATOM 1042 N LEU A 310 -0.742 -9.800 -5.402 1.00 0.00 N ATOM 1043 CA LEU A 310 -0.301 -10.299 -4.101 1.00 0.00 C ATOM 1044 C LEU A 310 -1.352 -10.009 -3.037 1.00 0.00 C ATOM 1045 O LEU A 310 -1.853 -10.913 -2.377 1.00 0.00 O ATOM 1046 CB LEU A 310 1.033 -9.655 -3.689 1.00 0.00 C ATOM 1047 CG LEU A 310 2.300 -10.237 -4.333 1.00 0.00 C ATOM 1048 CD1 LEU A 310 2.453 -11.706 -3.968 1.00 0.00 C ATOM 1049 CD2 LEU A 310 2.287 -10.062 -5.846 1.00 0.00 C ATOM 0 H LEU A 310 -0.239 -8.972 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 310 -0.160 -11.376 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 310 0.987 -8.592 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 310 1.132 -9.736 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 310 3.156 -9.686 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 310 3.355 -12.104 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 310 2.527 -11.806 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 310 1.586 -12.262 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 310 3.198 -10.485 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 310 1.421 -10.575 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 310 2.233 -9.001 -6.089 1.00 0.00 H new ATOM 1061 N ILE A 311 -1.697 -8.742 -2.891 1.00 0.00 N ATOM 1062 CA ILE A 311 -2.700 -8.325 -1.924 1.00 0.00 C ATOM 1063 C ILE A 311 -4.036 -8.993 -2.225 1.00 0.00 C ATOM 1064 O ILE A 311 -4.837 -9.260 -1.325 1.00 0.00 O ATOM 1065 CB ILE A 311 -2.867 -6.788 -1.930 1.00 0.00 C ATOM 1066 CG1 ILE A 311 -3.306 -6.288 -3.310 1.00 0.00 C ATOM 1067 CG2 ILE A 311 -1.573 -6.108 -1.511 1.00 0.00 C ATOM 1068 CD1 ILE A 311 -3.297 -4.779 -3.448 1.00 0.00 C ATOM 0 H ILE A 311 -1.294 -7.978 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 311 -2.363 -8.632 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 311 -3.645 -6.533 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 311 -2.649 -6.716 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 311 -4.311 -6.656 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 311 -1.710 -5.027 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 311 -1.302 -6.430 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 311 -0.778 -6.379 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 311 -3.620 -4.504 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 311 -3.977 -4.343 -2.716 1.00 0.00 H new ATOM 0 HD13 ILE A 311 -2.288 -4.404 -3.275 1.00 0.00 H new ATOM 1080 N ALA A 312 -4.233 -9.309 -3.500 1.00 0.00 N ATOM 1081 CA ALA A 312 -5.442 -9.963 -3.955 1.00 0.00 C ATOM 1082 C ALA A 312 -5.587 -11.352 -3.336 1.00 0.00 C ATOM 1083 O ALA A 312 -6.698 -11.828 -3.118 1.00 0.00 O ATOM 1084 CB ALA A 312 -5.443 -10.056 -5.473 1.00 0.00 C ATOM 0 H ALA A 312 -3.558 -9.117 -4.241 1.00 0.00 H new ATOM 0 HA ALA A 312 -6.295 -9.365 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 312 -6.356 -10.549 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -5.396 -9.054 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 312 -4.578 -10.632 -5.803 1.00 0.00 H new ATOM 1090 N LEU A 313 -4.459 -12.000 -3.041 1.00 0.00 N ATOM 1091 CA LEU A 313 -4.485 -13.363 -2.523 1.00 0.00 C ATOM 1092 C LEU A 313 -4.634 -13.385 -1.003 1.00 0.00 C ATOM 1093 O LEU A 313 -5.247 -14.300 -0.452 1.00 0.00 O ATOM 1094 CB LEU A 313 -3.232 -14.152 -2.964 1.00 0.00 C ATOM 1095 CG LEU A 313 -1.889 -13.714 -2.354 1.00 0.00 C ATOM 1096 CD1 LEU A 313 -1.625 -14.414 -1.025 1.00 0.00 C ATOM 1097 CD2 LEU A 313 -0.741 -13.968 -3.323 1.00 0.00 C ATOM 0 H LEU A 313 -3.525 -11.605 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 313 -5.361 -13.854 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 313 -3.389 -15.203 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 313 -3.151 -14.084 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 313 -1.952 -12.642 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 313 -0.668 -14.081 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 313 -2.420 -14.169 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 313 -1.598 -15.492 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 313 0.197 -13.650 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 313 -0.689 -15.032 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 313 -0.908 -13.404 -4.241 1.00 0.00 H new ATOM 1109 N TRP A 314 -4.098 -12.379 -0.317 1.00 0.00 N ATOM 1110 CA TRP A 314 -4.092 -12.399 1.140 1.00 0.00 C ATOM 1111 C TRP A 314 -5.432 -11.916 1.696 1.00 0.00 C ATOM 1112 O TRP A 314 -5.989 -12.531 2.607 1.00 0.00 O ATOM 1113 CB TRP A 314 -2.939 -11.565 1.701 1.00 0.00 C ATOM 1114 CG TRP A 314 -2.450 -12.053 3.036 1.00 0.00 C ATOM 1115 CD1 TRP A 314 -1.349 -12.829 3.266 1.00 0.00 C ATOM 1116 CD2 TRP A 314 -3.047 -11.819 4.322 1.00 0.00 C ATOM 1117 NE1 TRP A 314 -1.222 -13.084 4.610 1.00 0.00 N ATOM 1118 CE2 TRP A 314 -2.251 -12.479 5.278 1.00 0.00 C ATOM 1119 CE3 TRP A 314 -4.170 -11.112 4.760 1.00 0.00 C ATOM 1120 CZ2 TRP A 314 -2.550 -12.461 6.637 1.00 0.00 C ATOM 1121 CZ3 TRP A 314 -4.465 -11.096 6.106 1.00 0.00 C ATOM 1122 CH2 TRP A 314 -3.657 -11.764 7.034 1.00 0.00 C ATOM 0 H TRP A 314 -3.670 -11.555 -0.738 1.00 0.00 H new ATOM 0 HA TRP A 314 -3.943 -13.431 1.458 1.00 0.00 H new ATOM 0 HB2 TRP A 314 -2.112 -11.577 0.992 1.00 0.00 H new ATOM 0 HB3 TRP A 314 -3.262 -10.528 1.796 1.00 0.00 H new ATOM 0 HD1 TRP A 314 -0.676 -13.190 2.502 1.00 0.00 H new ATOM 0 HE1 TRP A 314 -0.480 -13.636 5.040 1.00 0.00 H new ATOM 0 HE3 TRP A 314 -4.797 -10.586 4.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 314 -1.929 -12.979 7.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 314 -5.336 -10.558 6.451 1.00 0.00 H new ATOM 0 HH2 TRP A 314 -3.913 -11.728 8.083 1.00 0.00 H new ATOM 1133 N CYS A 315 -5.958 -10.834 1.129 1.00 0.00 N ATOM 1134 CA CYS A 315 -7.272 -10.327 1.526 1.00 0.00 C ATOM 1135 C CYS A 315 -8.361 -11.319 1.104 1.00 0.00 C ATOM 1136 O CYS A 315 -9.506 -11.252 1.557 1.00 0.00 O ATOM 1137 CB CYS A 315 -7.518 -8.949 0.904 1.00 0.00 C ATOM 1138 SG CYS A 315 -9.154 -8.255 1.245 1.00 0.00 S ATOM 0 H CYS A 315 -5.499 -10.292 0.397 1.00 0.00 H new ATOM 0 HA CYS A 315 -7.302 -10.220 2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -6.760 -8.258 1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.386 -9.022 -0.175 1.00 0.00 H new ATOM 0 HG CYS A 315 -9.975 -9.213 1.557 1.00 0.00 H new ATOM 1144 N GLU A 316 -7.984 -12.230 0.215 1.00 0.00 N ATOM 1145 CA GLU A 316 -8.836 -13.343 -0.178 1.00 0.00 C ATOM 1146 C GLU A 316 -8.810 -14.425 0.897 1.00 0.00 C ATOM 1147 O GLU A 316 -9.846 -14.969 1.283 1.00 0.00 O ATOM 1148 CB GLU A 316 -8.344 -13.923 -1.506 1.00 0.00 C ATOM 1149 CG GLU A 316 -8.979 -15.253 -1.874 1.00 0.00 C ATOM 1150 CD GLU A 316 -8.251 -15.949 -3.005 1.00 0.00 C ATOM 1151 OE1 GLU A 316 -7.314 -16.729 -2.723 1.00 0.00 O ATOM 1152 OE2 GLU A 316 -8.611 -15.727 -4.176 1.00 0.00 O ATOM 0 H GLU A 316 -7.078 -12.217 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 316 -9.859 -12.985 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 316 -8.544 -13.204 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 316 -7.263 -14.050 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 316 -8.989 -15.902 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 316 -10.018 -15.089 -2.161 1.00 0.00 H new ATOM 1159 N SER A 317 -7.610 -14.719 1.378 1.00 0.00 N ATOM 1160 CA SER A 317 -7.399 -15.784 2.345 1.00 0.00 C ATOM 1161 C SER A 317 -8.062 -15.449 3.676 1.00 0.00 C ATOM 1162 O SER A 317 -8.650 -16.314 4.325 1.00 0.00 O ATOM 1163 CB SER A 317 -5.896 -16.014 2.540 1.00 0.00 C ATOM 1164 OG SER A 317 -5.643 -17.206 3.266 1.00 0.00 O ATOM 0 H SER A 317 -6.758 -14.227 1.109 1.00 0.00 H new ATOM 0 HA SER A 317 -7.855 -16.698 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 317 -5.406 -16.068 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 317 -5.462 -15.165 3.069 1.00 0.00 H new ATOM 0 HG SER A 317 -4.676 -17.325 3.372 1.00 0.00 H new ATOM 1170 N ASN A 318 -7.978 -14.190 4.074 1.00 0.00 N ATOM 1171 CA ASN A 318 -8.561 -13.753 5.333 1.00 0.00 C ATOM 1172 C ASN A 318 -9.348 -12.467 5.135 1.00 0.00 C ATOM 1173 O ASN A 318 -8.906 -11.571 4.415 1.00 0.00 O ATOM 1174 CB ASN A 318 -7.466 -13.533 6.381 1.00 0.00 C ATOM 1175 CG ASN A 318 -8.033 -13.153 7.736 1.00 0.00 C ATOM 1176 OD1 ASN A 318 -9.108 -13.610 8.121 1.00 0.00 O ATOM 1177 ND2 ASN A 318 -7.321 -12.306 8.462 1.00 0.00 N ATOM 0 H ASN A 318 -7.512 -13.453 3.544 1.00 0.00 H new ATOM 0 HA ASN A 318 -9.237 -14.532 5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 318 -6.873 -14.442 6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 318 -6.791 -12.748 6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 318 -7.659 -12.009 9.377 1.00 0.00 H new ATOM 0 HD22 ASN A 318 -6.434 -11.950 8.106 1.00 0.00 H new ATOM 1184 N GLY A 319 -10.513 -12.383 5.770 1.00 0.00 N ATOM 1185 CA GLY A 319 -11.321 -11.184 5.692 1.00 0.00 C ATOM 1186 C GLY A 319 -10.678 -10.036 6.440 1.00 0.00 C ATOM 1187 O GLY A 319 -10.954 -9.815 7.620 1.00 0.00 O ATOM 0 H GLY A 319 -10.912 -13.129 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 319 -11.463 -10.906 4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 319 -12.310 -11.382 6.106 1.00 0.00 H new ATOM 1191 N ILE A 320 -9.805 -9.317 5.757 1.00 0.00 N ATOM 1192 CA ILE A 320 -9.015 -8.270 6.384 1.00 0.00 C ATOM 1193 C ILE A 320 -9.701 -6.909 6.260 1.00 0.00 C ATOM 1194 O ILE A 320 -9.427 -5.988 7.030 1.00 0.00 O ATOM 1195 CB ILE A 320 -7.603 -8.229 5.755 1.00 0.00 C ATOM 1196 CG1 ILE A 320 -6.652 -7.366 6.580 1.00 0.00 C ATOM 1197 CG2 ILE A 320 -7.681 -7.691 4.342 1.00 0.00 C ATOM 1198 CD1 ILE A 320 -5.193 -7.704 6.390 1.00 0.00 C ATOM 0 H ILE A 320 -9.624 -9.440 4.761 1.00 0.00 H new ATOM 0 HA ILE A 320 -8.924 -8.497 7.446 1.00 0.00 H new ATOM 0 HB ILE A 320 -7.214 -9.247 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 320 -6.809 -6.319 6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 320 -6.904 -7.472 7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 320 -6.682 -7.666 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 320 -8.322 -8.337 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 320 -8.095 -6.683 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 320 -4.583 -7.047 7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 320 -5.019 -8.740 6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 320 -4.922 -7.569 5.343 1.00 0.00 H new ATOM 1210 N GLU A 321 -10.602 -6.792 5.295 1.00 0.00 N ATOM 1211 CA GLU A 321 -11.359 -5.566 5.105 1.00 0.00 C ATOM 1212 C GLU A 321 -12.844 -5.896 5.029 1.00 0.00 C ATOM 1213 O GLU A 321 -13.531 -5.807 6.064 1.00 0.00 O ATOM 1214 CB GLU A 321 -10.923 -4.841 3.828 1.00 0.00 C ATOM 1215 CG GLU A 321 -11.543 -3.459 3.688 1.00 0.00 C ATOM 1216 CD GLU A 321 -11.432 -2.890 2.288 1.00 0.00 C ATOM 1217 OE1 GLU A 321 -11.977 -3.503 1.346 1.00 0.00 O ATOM 1218 OE2 GLU A 321 -10.828 -1.812 2.129 1.00 0.00 O ATOM 1219 OXT GLU A 321 -13.314 -6.273 3.935 1.00 0.00 O ATOM 0 H GLU A 321 -10.826 -7.533 4.631 1.00 0.00 H new ATOM 0 HA GLU A 321 -11.168 -4.906 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -9.837 -4.748 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -11.196 -5.445 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -12.595 -3.510 3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -11.059 -2.779 4.388 1.00 0.00 H new