USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 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 325 THR OG1 : rot 174:sc= 0.171! USER MOD Set 1.2: A 330 THR OG1 : rot 180:sc= 0 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 293 THR OG1 : rot -140:sc= -0.0874 USER MOD Single : A 294 MET CE :methyl 151:sc=-0.00207 (180deg=-1.35!) USER MOD Single : A 295 LYS NZ :NH3+ -164:sc= -0.245 (180deg=-0.897) USER MOD Single : A 301 THR OG1 : rot 63:sc= 0.831 USER MOD Single : A 305 GLN : amide:sc= -0.0181 K(o=-0.018,f=-2!) USER MOD Single : A 306 THR OG1 : rot 73:sc= 0.859 USER MOD Single : A 310 HIS : no HE2:sc= -6.41! C(o=-6.4!,f=-13!) USER MOD Single : A 311 LYS NZ :NH3+ 166:sc= -0.015 (180deg=-0.269) USER MOD Single : A 312 CYS SG : rot -60:sc= -2.46! USER MOD Single : A 313 GLN : amide:sc= -1.64! K(o=-1.6!,f=0) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ 170:sc= -0.848 (180deg=-1.01) USER MOD Single : A 323 SER OG : rot 180:sc= -0.116 USER MOD Single : A 331 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.184) USER MOD Single : A 334 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 336 LYS NZ :NH3+ 141:sc= -0.11 (180deg=-0.885) USER MOD Single : A 337 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 LYS NZ :NH3+ 175:sc= -0.567 (180deg=-0.763) USER MOD Single : A 340 THR OG1 : rot 180:sc= 0 USER MOD Single : A 341 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.4) USER MOD Single : A 342 TYR OH : rot 30:sc= -0.799 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 THR OG1 : rot -30:sc= 0.431 USER MOD Single : A 346 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.043) USER MOD Single : A 350 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.682 2.726 2.518 1.00 0.00 N ATOM 2 CA PHE A 289 -18.352 2.217 2.082 1.00 0.00 C ATOM 3 C PHE A 289 -17.958 2.881 0.763 1.00 0.00 C ATOM 4 O PHE A 289 -17.018 2.476 0.107 1.00 0.00 O ATOM 5 CB PHE A 289 -18.431 0.706 1.867 1.00 0.00 C ATOM 6 CG PHE A 289 -19.181 0.080 3.012 1.00 0.00 C ATOM 7 CD1 PHE A 289 -20.577 0.001 2.969 1.00 0.00 C ATOM 8 CD2 PHE A 289 -18.484 -0.419 4.117 1.00 0.00 C ATOM 9 CE1 PHE A 289 -21.278 -0.579 4.033 1.00 0.00 C ATOM 10 CE2 PHE A 289 -19.183 -0.998 5.181 1.00 0.00 C ATOM 11 CZ PHE A 289 -20.581 -1.078 5.140 1.00 0.00 C ATOM 0 HA PHE A 289 -17.612 2.446 2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -18.933 0.487 0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.428 0.284 1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -21.114 0.387 2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -17.406 -0.357 4.149 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -22.356 -0.641 4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -18.645 -1.384 6.034 1.00 0.00 H new ATOM 0 HZ PHE A 289 -21.121 -1.524 5.962 1.00 0.00 H new ATOM 21 N SER A 290 -18.684 3.883 0.360 1.00 0.00 N ATOM 22 CA SER A 290 -18.379 4.569 -0.931 1.00 0.00 C ATOM 23 C SER A 290 -17.469 5.785 -0.714 1.00 0.00 C ATOM 24 O SER A 290 -16.612 6.066 -1.528 1.00 0.00 O ATOM 25 CB SER A 290 -19.695 5.012 -1.595 1.00 0.00 C ATOM 26 OG SER A 290 -20.736 4.125 -1.204 1.00 0.00 O ATOM 0 H SER A 290 -19.482 4.261 0.871 1.00 0.00 H new ATOM 0 HA SER A 290 -17.853 3.868 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A 290 -19.940 6.032 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.588 5.011 -2.680 1.00 0.00 H new ATOM 0 HG SER A 290 -21.577 4.403 -1.623 1.00 0.00 H new ATOM 32 N PRO A 291 -17.653 6.512 0.354 1.00 0.00 N ATOM 33 CA PRO A 291 -16.840 7.710 0.643 1.00 0.00 C ATOM 34 C PRO A 291 -15.571 7.402 1.449 1.00 0.00 C ATOM 35 O PRO A 291 -14.489 7.820 1.095 1.00 0.00 O ATOM 36 CB PRO A 291 -17.805 8.595 1.442 1.00 0.00 C ATOM 37 CG PRO A 291 -18.739 7.640 2.139 1.00 0.00 C ATOM 38 CD PRO A 291 -18.646 6.283 1.409 1.00 0.00 C ATOM 0 HA PRO A 291 -16.462 8.176 -0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.267 9.214 2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.353 9.272 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -18.463 7.531 3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.761 8.018 2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.333 5.487 2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.609 5.987 0.993 1.00 0.00 H new ATOM 46 N GLU A 292 -15.698 6.701 2.546 1.00 0.00 N ATOM 47 CA GLU A 292 -14.488 6.408 3.392 1.00 0.00 C ATOM 48 C GLU A 292 -13.781 5.113 2.955 1.00 0.00 C ATOM 49 O GLU A 292 -12.602 5.107 2.655 1.00 0.00 O ATOM 50 CB GLU A 292 -14.919 6.299 4.872 1.00 0.00 C ATOM 51 CG GLU A 292 -16.360 5.782 4.968 1.00 0.00 C ATOM 52 CD GLU A 292 -16.624 5.241 6.378 1.00 0.00 C ATOM 53 OE1 GLU A 292 -16.289 4.094 6.623 1.00 0.00 O ATOM 54 OE2 GLU A 292 -17.160 5.983 7.184 1.00 0.00 O ATOM 0 H GLU A 292 -16.577 6.319 2.896 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.778 7.225 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -14.247 5.626 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -14.842 7.274 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -17.060 6.585 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -16.524 4.997 4.230 1.00 0.00 H new ATOM 61 N THR A 293 -14.481 4.021 2.957 1.00 0.00 N ATOM 62 CA THR A 293 -13.856 2.717 2.590 1.00 0.00 C ATOM 63 C THR A 293 -13.307 2.740 1.174 1.00 0.00 C ATOM 64 O THR A 293 -12.244 2.217 0.905 1.00 0.00 O ATOM 65 CB THR A 293 -14.920 1.627 2.672 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.542 1.659 3.949 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.287 0.258 2.441 1.00 0.00 C ATOM 0 H THR A 293 -15.471 3.970 3.199 1.00 0.00 H new ATOM 0 HA THR A 293 -13.033 2.527 3.279 1.00 0.00 H new ATOM 0 HB THR A 293 -15.670 1.805 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 293 -15.694 0.743 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 293 -15.055 -0.513 2.502 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.825 0.233 1.454 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.528 0.075 3.202 1.00 0.00 H new ATOM 75 N MET A 294 -14.034 3.290 0.254 1.00 0.00 N ATOM 76 CA MET A 294 -13.549 3.275 -1.145 1.00 0.00 C ATOM 77 C MET A 294 -12.290 4.138 -1.275 1.00 0.00 C ATOM 78 O MET A 294 -11.398 3.820 -2.032 1.00 0.00 O ATOM 79 CB MET A 294 -14.661 3.770 -2.077 1.00 0.00 C ATOM 80 CG MET A 294 -14.570 3.045 -3.426 1.00 0.00 C ATOM 81 SD MET A 294 -15.932 3.579 -4.492 1.00 0.00 S ATOM 82 CE MET A 294 -17.156 2.376 -3.910 1.00 0.00 C ATOM 0 H MET A 294 -14.934 3.745 0.406 1.00 0.00 H new ATOM 0 HA MET A 294 -13.286 2.257 -1.431 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.635 3.591 -1.623 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.571 4.846 -2.225 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.614 3.261 -3.903 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.614 1.966 -3.275 1.00 0.00 H new ATOM 0 HE1 MET A 294 -18.156 2.797 -4.012 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.083 1.466 -4.505 1.00 0.00 H new ATOM 0 HE3 MET A 294 -16.966 2.141 -2.863 1.00 0.00 H new ATOM 92 N LYS A 295 -12.189 5.215 -0.541 1.00 0.00 N ATOM 93 CA LYS A 295 -10.958 6.047 -0.645 1.00 0.00 C ATOM 94 C LYS A 295 -9.757 5.156 -0.358 1.00 0.00 C ATOM 95 O LYS A 295 -8.768 5.191 -1.061 1.00 0.00 O ATOM 96 CB LYS A 295 -11.016 7.197 0.366 1.00 0.00 C ATOM 97 CG LYS A 295 -11.859 8.339 -0.206 1.00 0.00 C ATOM 98 CD LYS A 295 -12.117 9.372 0.887 1.00 0.00 C ATOM 99 CE LYS A 295 -13.104 10.426 0.373 1.00 0.00 C ATOM 100 NZ LYS A 295 -12.856 10.674 -1.075 1.00 0.00 N ATOM 0 H LYS A 295 -12.894 5.549 0.116 1.00 0.00 H new ATOM 0 HA LYS A 295 -10.876 6.475 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.446 6.848 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.009 7.550 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -11.342 8.803 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -12.804 7.953 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -12.519 8.884 1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -11.181 9.848 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -14.128 10.085 0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -12.990 11.352 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -13.322 11.559 -1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -11.833 10.751 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -13.240 9.885 -1.633 1.00 0.00 H new ATOM 114 N ALA A 296 -9.839 4.331 0.646 1.00 0.00 N ATOM 115 CA ALA A 296 -8.696 3.425 0.923 1.00 0.00 C ATOM 116 C ALA A 296 -8.573 2.479 -0.269 1.00 0.00 C ATOM 117 O ALA A 296 -7.491 2.148 -0.715 1.00 0.00 O ATOM 118 CB ALA A 296 -8.957 2.630 2.199 1.00 0.00 C ATOM 0 H ALA A 296 -10.636 4.246 1.277 1.00 0.00 H new ATOM 0 HA ALA A 296 -7.776 3.992 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.113 1.968 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -9.081 3.317 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -9.863 2.037 2.079 1.00 0.00 H new ATOM 124 N ARG A 297 -9.691 2.065 -0.803 1.00 0.00 N ATOM 125 CA ARG A 297 -9.682 1.165 -1.986 1.00 0.00 C ATOM 126 C ARG A 297 -9.031 1.907 -3.159 1.00 0.00 C ATOM 127 O ARG A 297 -8.338 1.329 -3.973 1.00 0.00 O ATOM 128 CB ARG A 297 -11.128 0.795 -2.338 1.00 0.00 C ATOM 129 CG ARG A 297 -11.151 -0.445 -3.242 1.00 0.00 C ATOM 130 CD ARG A 297 -12.604 -0.903 -3.469 1.00 0.00 C ATOM 131 NE ARG A 297 -12.632 -2.381 -3.716 1.00 0.00 N ATOM 132 CZ ARG A 297 -11.860 -2.934 -4.612 1.00 0.00 C ATOM 133 NH1 ARG A 297 -11.188 -2.197 -5.452 1.00 0.00 N ATOM 134 NH2 ARG A 297 -11.807 -4.235 -4.707 1.00 0.00 N ATOM 0 H ARG A 297 -10.619 2.317 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 297 -9.120 0.256 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.694 0.601 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.613 1.631 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.679 -0.217 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.574 -1.249 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -13.213 -0.658 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.034 -0.374 -4.319 1.00 0.00 H new ATOM 0 HE ARG A 297 -13.267 -2.967 -3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -11.263 -1.181 -5.412 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -10.587 -2.637 -6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -12.367 -4.815 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -11.205 -4.671 -5.406 1.00 0.00 H new ATOM 148 N ARG A 298 -9.247 3.194 -3.238 1.00 0.00 N ATOM 149 CA ARG A 298 -8.642 3.994 -4.339 1.00 0.00 C ATOM 150 C ARG A 298 -7.148 4.144 -4.055 1.00 0.00 C ATOM 151 O ARG A 298 -6.314 3.806 -4.869 1.00 0.00 O ATOM 152 CB ARG A 298 -9.326 5.375 -4.393 1.00 0.00 C ATOM 153 CG ARG A 298 -9.236 5.980 -5.805 1.00 0.00 C ATOM 154 CD ARG A 298 -7.819 6.495 -6.072 1.00 0.00 C ATOM 155 NE ARG A 298 -7.825 7.322 -7.311 1.00 0.00 N ATOM 156 CZ ARG A 298 -6.821 8.115 -7.575 1.00 0.00 C ATOM 157 NH1 ARG A 298 -5.808 8.181 -6.754 1.00 0.00 N ATOM 158 NH2 ARG A 298 -6.833 8.845 -8.657 1.00 0.00 N ATOM 0 H ARG A 298 -9.820 3.726 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 298 -8.780 3.501 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -10.372 5.279 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -8.855 6.046 -3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -9.503 5.229 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -9.952 6.796 -5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -7.469 7.087 -5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -7.129 5.658 -6.182 1.00 0.00 H new ATOM 0 HE ARG A 298 -8.615 7.269 -7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -5.801 7.613 -5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -5.024 8.800 -6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -7.626 8.796 -9.296 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -6.049 9.464 -8.863 1.00 0.00 H new ATOM 172 N ALA A 299 -6.806 4.620 -2.889 1.00 0.00 N ATOM 173 CA ALA A 299 -5.363 4.758 -2.543 1.00 0.00 C ATOM 174 C ALA A 299 -4.699 3.397 -2.746 1.00 0.00 C ATOM 175 O ALA A 299 -3.519 3.287 -3.019 1.00 0.00 O ATOM 176 CB ALA A 299 -5.225 5.175 -1.077 1.00 0.00 C ATOM 0 H ALA A 299 -7.459 4.918 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 299 -4.892 5.513 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.169 5.276 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -5.728 6.130 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.680 4.417 -0.439 1.00 0.00 H new ATOM 182 N TRP A 300 -5.476 2.360 -2.624 1.00 0.00 N ATOM 183 CA TRP A 300 -4.959 0.979 -2.809 1.00 0.00 C ATOM 184 C TRP A 300 -4.888 0.666 -4.306 1.00 0.00 C ATOM 185 O TRP A 300 -4.221 -0.260 -4.721 1.00 0.00 O ATOM 186 CB TRP A 300 -5.923 0.014 -2.128 1.00 0.00 C ATOM 187 CG TRP A 300 -5.823 0.056 -0.614 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.661 -0.642 0.192 1.00 0.00 C ATOM 189 CD2 TRP A 300 -4.899 0.776 0.302 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.310 -0.441 1.508 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.243 0.415 1.635 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.811 1.677 0.142 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.549 0.908 2.739 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.119 2.169 1.261 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.483 1.782 2.552 1.00 0.00 C ATOM 0 H TRP A 300 -6.469 2.414 -2.399 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.964 0.881 -2.376 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.943 0.255 -2.427 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.720 -1.000 -2.473 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.479 -1.261 -0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -6.787 -0.877 2.297 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.514 1.986 -0.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -4.838 0.612 3.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.296 2.854 1.121 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -2.938 2.160 3.404 1.00 0.00 H new ATOM 206 N THR A 301 -5.551 1.439 -5.125 1.00 0.00 N ATOM 207 CA THR A 301 -5.495 1.187 -6.595 1.00 0.00 C ATOM 208 C THR A 301 -4.256 1.871 -7.182 1.00 0.00 C ATOM 209 O THR A 301 -3.429 1.252 -7.820 1.00 0.00 O ATOM 210 CB THR A 301 -6.732 1.770 -7.268 1.00 0.00 C ATOM 211 OG1 THR A 301 -7.891 1.095 -6.801 1.00 0.00 O ATOM 212 CG2 THR A 301 -6.612 1.610 -8.787 1.00 0.00 C ATOM 0 H THR A 301 -6.127 2.231 -4.841 1.00 0.00 H new ATOM 0 HA THR A 301 -5.451 0.112 -6.768 1.00 0.00 H new ATOM 0 HB THR A 301 -6.813 2.829 -7.025 1.00 0.00 H new ATOM 0 HG1 THR A 301 -7.992 1.246 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.497 2.027 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 301 -5.725 2.137 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 301 -6.528 0.552 -9.036 1.00 0.00 H new ATOM 220 N ASP A 302 -4.138 3.155 -6.978 1.00 0.00 N ATOM 221 CA ASP A 302 -2.970 3.899 -7.529 1.00 0.00 C ATOM 222 C ASP A 302 -1.672 3.216 -7.102 1.00 0.00 C ATOM 223 O ASP A 302 -0.750 3.079 -7.881 1.00 0.00 O ATOM 224 CB ASP A 302 -2.988 5.337 -7.004 1.00 0.00 C ATOM 225 CG ASP A 302 -1.730 6.070 -7.473 1.00 0.00 C ATOM 226 OD1 ASP A 302 -1.071 5.563 -8.365 1.00 0.00 O ATOM 227 OD2 ASP A 302 -1.447 7.124 -6.931 1.00 0.00 O ATOM 0 H ASP A 302 -4.803 3.722 -6.452 1.00 0.00 H new ATOM 0 HA ASP A 302 -3.030 3.907 -8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -3.878 5.855 -7.363 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -3.036 5.337 -5.915 1.00 0.00 H new ATOM 232 N VAL A 303 -1.586 2.787 -5.874 1.00 0.00 N ATOM 233 CA VAL A 303 -0.341 2.121 -5.417 1.00 0.00 C ATOM 234 C VAL A 303 -0.260 0.722 -6.034 1.00 0.00 C ATOM 235 O VAL A 303 0.811 0.223 -6.318 1.00 0.00 O ATOM 236 CB VAL A 303 -0.348 2.017 -3.892 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.525 3.408 -3.280 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.497 1.112 -3.449 1.00 0.00 C ATOM 0 H VAL A 303 -2.321 2.869 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 303 0.525 2.704 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 303 0.598 1.595 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.529 3.329 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.297 4.051 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.469 3.836 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.503 1.037 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.443 1.533 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.366 0.120 -3.880 1.00 0.00 H new ATOM 248 N ILE A 304 -1.380 0.085 -6.262 1.00 0.00 N ATOM 249 CA ILE A 304 -1.339 -1.275 -6.878 1.00 0.00 C ATOM 250 C ILE A 304 -0.587 -1.167 -8.211 1.00 0.00 C ATOM 251 O ILE A 304 0.186 -2.032 -8.573 1.00 0.00 O ATOM 252 CB ILE A 304 -2.796 -1.781 -7.083 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.161 -2.802 -5.996 1.00 0.00 C ATOM 254 CG2 ILE A 304 -2.987 -2.442 -8.457 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.675 -3.020 -5.985 1.00 0.00 C ATOM 0 H ILE A 304 -2.312 0.443 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.823 -1.990 -6.237 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.447 -0.909 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.649 -3.746 -6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.828 -2.446 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -4.018 -2.781 -8.558 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.764 -1.720 -9.242 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.315 -3.295 -8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -4.933 -3.745 -5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.177 -2.075 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -4.996 -3.396 -6.957 1.00 0.00 H new ATOM 267 N GLN A 305 -0.812 -0.110 -8.937 1.00 0.00 N ATOM 268 CA GLN A 305 -0.122 0.067 -10.236 1.00 0.00 C ATOM 269 C GLN A 305 1.332 0.494 -9.966 1.00 0.00 C ATOM 270 O GLN A 305 2.208 0.296 -10.785 1.00 0.00 O ATOM 271 CB GLN A 305 -0.897 1.129 -11.049 1.00 0.00 C ATOM 272 CG GLN A 305 0.047 1.971 -11.909 1.00 0.00 C ATOM 273 CD GLN A 305 -0.755 2.729 -12.971 1.00 0.00 C ATOM 274 OE1 GLN A 305 -1.957 2.578 -13.063 1.00 0.00 O ATOM 275 NE2 GLN A 305 -0.136 3.544 -13.780 1.00 0.00 N ATOM 0 H GLN A 305 -1.450 0.643 -8.681 1.00 0.00 H new ATOM 0 HA GLN A 305 -0.097 -0.858 -10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 305 -1.631 0.637 -11.687 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.449 1.778 -10.369 1.00 0.00 H new ATOM 0 HG2 GLN A 305 0.594 2.675 -11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 305 0.787 1.330 -12.388 1.00 0.00 H new ATOM 0 HE21 GLN A 305 0.873 3.671 -13.703 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -0.661 4.055 -14.490 1.00 0.00 H new ATOM 284 N THR A 306 1.593 1.071 -8.820 1.00 0.00 N ATOM 285 CA THR A 306 2.988 1.499 -8.499 1.00 0.00 C ATOM 286 C THR A 306 3.774 0.306 -7.954 1.00 0.00 C ATOM 287 O THR A 306 4.855 0.004 -8.418 1.00 0.00 O ATOM 288 CB THR A 306 2.960 2.601 -7.441 1.00 0.00 C ATOM 289 OG1 THR A 306 2.035 3.608 -7.828 1.00 0.00 O ATOM 290 CG2 THR A 306 4.356 3.213 -7.297 1.00 0.00 C ATOM 0 H THR A 306 0.902 1.264 -8.095 1.00 0.00 H new ATOM 0 HA THR A 306 3.464 1.874 -9.405 1.00 0.00 H new ATOM 0 HB THR A 306 2.654 2.176 -6.485 1.00 0.00 H new ATOM 0 HG1 THR A 306 1.121 3.274 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.333 3.999 -6.542 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.063 2.440 -6.995 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.668 3.637 -8.252 1.00 0.00 H new ATOM 298 N LEU A 307 3.243 -0.376 -6.969 1.00 0.00 N ATOM 299 CA LEU A 307 3.972 -1.549 -6.397 1.00 0.00 C ATOM 300 C LEU A 307 4.458 -2.432 -7.550 1.00 0.00 C ATOM 301 O LEU A 307 5.564 -2.929 -7.540 1.00 0.00 O ATOM 302 CB LEU A 307 3.026 -2.369 -5.490 1.00 0.00 C ATOM 303 CG LEU A 307 3.058 -1.881 -4.025 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.489 -1.920 -3.449 1.00 0.00 C ATOM 305 CD2 LEU A 307 2.492 -0.458 -3.942 1.00 0.00 C ATOM 0 H LEU A 307 2.341 -0.172 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 307 4.817 -1.201 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.008 -2.300 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.310 -3.421 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 307 2.442 -2.553 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.475 -1.570 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.866 -2.942 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.138 -1.275 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 307 2.516 -0.117 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 307 3.094 0.210 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.463 -0.454 -4.302 1.00 0.00 H new ATOM 317 N ARG A 308 3.633 -2.625 -8.539 1.00 0.00 N ATOM 318 CA ARG A 308 4.044 -3.470 -9.695 1.00 0.00 C ATOM 319 C ARG A 308 5.340 -2.910 -10.284 1.00 0.00 C ATOM 320 O ARG A 308 6.034 -3.573 -11.029 1.00 0.00 O ATOM 321 CB ARG A 308 2.940 -3.456 -10.758 1.00 0.00 C ATOM 322 CG ARG A 308 1.786 -4.351 -10.302 1.00 0.00 C ATOM 323 CD ARG A 308 0.656 -4.308 -11.333 1.00 0.00 C ATOM 324 NE ARG A 308 -0.577 -4.898 -10.740 1.00 0.00 N ATOM 325 CZ ARG A 308 -1.734 -4.712 -11.314 1.00 0.00 C ATOM 326 NH1 ARG A 308 -1.814 -4.011 -12.412 1.00 0.00 N ATOM 327 NH2 ARG A 308 -2.813 -5.227 -10.789 1.00 0.00 N ATOM 0 H ARG A 308 2.692 -2.235 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 308 4.206 -4.496 -9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 308 2.585 -2.438 -10.916 1.00 0.00 H new ATOM 0 HB3 ARG A 308 3.333 -3.808 -11.712 1.00 0.00 H new ATOM 0 HG2 ARG A 308 2.136 -5.375 -10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 308 1.418 -4.018 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 308 0.469 -3.279 -11.641 1.00 0.00 H new ATOM 0 HD3 ARG A 308 0.943 -4.861 -12.227 1.00 0.00 H new ATOM 0 HE ARG A 308 -0.517 -5.449 -9.883 1.00 0.00 H new ATOM 0 HH11 ARG A 308 -0.972 -3.608 -12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 308 -2.719 -3.866 -12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 308 -2.751 -5.774 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 308 -3.718 -5.082 -11.237 1.00 0.00 H new ATOM 341 N GLU A 309 5.677 -1.693 -9.943 1.00 0.00 N ATOM 342 CA GLU A 309 6.935 -1.083 -10.465 1.00 0.00 C ATOM 343 C GLU A 309 8.076 -1.444 -9.505 1.00 0.00 C ATOM 344 O GLU A 309 9.177 -0.938 -9.598 1.00 0.00 O ATOM 345 CB GLU A 309 6.730 0.454 -10.582 1.00 0.00 C ATOM 346 CG GLU A 309 7.354 1.219 -9.401 1.00 0.00 C ATOM 347 CD GLU A 309 6.828 2.656 -9.395 1.00 0.00 C ATOM 348 OE1 GLU A 309 5.991 2.964 -10.228 1.00 0.00 O ATOM 349 OE2 GLU A 309 7.272 3.424 -8.560 1.00 0.00 O ATOM 0 H GLU A 309 5.132 -1.094 -9.323 1.00 0.00 H new ATOM 0 HA GLU A 309 7.189 -1.462 -11.455 1.00 0.00 H new ATOM 0 HB2 GLU A 309 7.171 0.807 -11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 309 5.663 0.673 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 309 7.107 0.725 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 309 8.441 1.218 -9.485 1.00 0.00 H new ATOM 356 N HIS A 310 7.801 -2.327 -8.580 1.00 0.00 N ATOM 357 CA HIS A 310 8.827 -2.757 -7.579 1.00 0.00 C ATOM 358 C HIS A 310 8.926 -4.295 -7.614 1.00 0.00 C ATOM 359 O HIS A 310 8.635 -4.919 -8.616 1.00 0.00 O ATOM 360 CB HIS A 310 8.346 -2.271 -6.178 1.00 0.00 C ATOM 361 CG HIS A 310 9.341 -1.326 -5.555 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.464 -1.775 -4.878 1.00 0.00 N ATOM 363 CD2 HIS A 310 9.376 0.044 -5.473 1.00 0.00 C ATOM 364 CE1 HIS A 310 11.120 -0.695 -4.420 1.00 0.00 C ATOM 365 NE2 HIS A 310 10.501 0.441 -4.754 1.00 0.00 N ATOM 0 H HIS A 310 6.892 -2.777 -8.473 1.00 0.00 H new ATOM 0 HA HIS A 310 9.808 -2.336 -7.798 1.00 0.00 H new ATOM 0 HB2 HIS A 310 7.381 -1.774 -6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 310 8.198 -3.130 -5.524 1.00 0.00 H new ATOM 0 HD1 HIS A 310 10.742 -2.748 -4.751 1.00 0.00 H new ATOM 0 HD2 HIS A 310 8.643 0.712 -5.901 1.00 0.00 H new ATOM 0 HE1 HIS A 310 12.037 -0.740 -3.851 1.00 0.00 H new ATOM 373 N LYS A 311 9.310 -4.904 -6.518 1.00 0.00 N ATOM 374 CA LYS A 311 9.405 -6.397 -6.451 1.00 0.00 C ATOM 375 C LYS A 311 8.380 -6.892 -5.441 1.00 0.00 C ATOM 376 O LYS A 311 8.203 -8.078 -5.240 1.00 0.00 O ATOM 377 CB LYS A 311 10.811 -6.803 -5.998 1.00 0.00 C ATOM 378 CG LYS A 311 11.851 -5.969 -6.746 1.00 0.00 C ATOM 379 CD LYS A 311 13.253 -6.479 -6.409 1.00 0.00 C ATOM 380 CE LYS A 311 14.280 -5.734 -7.261 1.00 0.00 C ATOM 381 NZ LYS A 311 14.320 -4.302 -6.849 1.00 0.00 N ATOM 0 H LYS A 311 9.565 -4.423 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 311 9.211 -6.833 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 311 10.915 -6.654 -4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 311 10.974 -7.864 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 311 11.678 -6.032 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 311 11.758 -4.919 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 311 13.463 -6.327 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 311 13.317 -7.551 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 311 15.265 -6.186 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 311 14.019 -5.813 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 15.167 -3.849 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 13.470 -3.816 -7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 14.352 -4.240 -5.811 1.00 0.00 H new ATOM 395 N CYS A 312 7.697 -5.981 -4.804 1.00 0.00 N ATOM 396 CA CYS A 312 6.668 -6.369 -3.803 1.00 0.00 C ATOM 397 C CYS A 312 5.308 -6.432 -4.490 1.00 0.00 C ATOM 398 O CYS A 312 4.743 -5.426 -4.868 1.00 0.00 O ATOM 399 CB CYS A 312 6.638 -5.327 -2.679 1.00 0.00 C ATOM 400 SG CYS A 312 8.328 -4.803 -2.294 1.00 0.00 S ATOM 0 H CYS A 312 7.810 -4.976 -4.937 1.00 0.00 H new ATOM 0 HA CYS A 312 6.906 -7.345 -3.379 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.040 -4.468 -2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 312 6.165 -5.748 -1.791 1.00 0.00 H new ATOM 0 HG CYS A 312 9.024 -5.831 -1.910 1.00 0.00 H new ATOM 406 N GLN A 313 4.782 -7.608 -4.663 1.00 0.00 N ATOM 407 CA GLN A 313 3.463 -7.734 -5.339 1.00 0.00 C ATOM 408 C GLN A 313 2.358 -7.172 -4.420 1.00 0.00 C ATOM 409 O GLN A 313 2.299 -7.520 -3.257 1.00 0.00 O ATOM 410 CB GLN A 313 3.181 -9.211 -5.621 1.00 0.00 C ATOM 411 CG GLN A 313 4.314 -9.791 -6.470 1.00 0.00 C ATOM 412 CD GLN A 313 3.943 -11.202 -6.934 1.00 0.00 C ATOM 413 OE1 GLN A 313 4.765 -11.907 -7.484 1.00 0.00 O ATOM 414 NE2 GLN A 313 2.733 -11.646 -6.735 1.00 0.00 N ATOM 0 H GLN A 313 5.206 -8.487 -4.367 1.00 0.00 H new ATOM 0 HA GLN A 313 3.478 -7.176 -6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.095 -9.762 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.230 -9.318 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.499 -9.151 -7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 313 5.237 -9.819 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 313 2.042 -11.054 -6.273 1.00 0.00 H new ATOM 0 HE22 GLN A 313 2.477 -12.585 -7.041 1.00 0.00 H new ATOM 423 N PRO A 314 1.487 -6.305 -4.912 1.00 0.00 N ATOM 424 CA PRO A 314 0.395 -5.716 -4.082 1.00 0.00 C ATOM 425 C PRO A 314 -0.832 -6.628 -3.993 1.00 0.00 C ATOM 426 O PRO A 314 -1.174 -7.318 -4.933 1.00 0.00 O ATOM 427 CB PRO A 314 0.047 -4.437 -4.835 1.00 0.00 C ATOM 428 CG PRO A 314 0.252 -4.794 -6.271 1.00 0.00 C ATOM 429 CD PRO A 314 1.432 -5.779 -6.297 1.00 0.00 C ATOM 0 HA PRO A 314 0.705 -5.559 -3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.981 -4.128 -4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 314 0.690 -3.610 -4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.645 -5.248 -6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.470 -3.907 -6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.270 -6.577 -7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.362 -5.282 -6.573 1.00 0.00 H new ATOM 437 N ARG A 315 -1.501 -6.621 -2.870 1.00 0.00 N ATOM 438 CA ARG A 315 -2.713 -7.475 -2.699 1.00 0.00 C ATOM 439 C ARG A 315 -3.730 -6.727 -1.833 1.00 0.00 C ATOM 440 O ARG A 315 -3.465 -6.409 -0.691 1.00 0.00 O ATOM 441 CB ARG A 315 -2.325 -8.785 -1.995 1.00 0.00 C ATOM 442 CG ARG A 315 -1.287 -9.567 -2.829 1.00 0.00 C ATOM 443 CD ARG A 315 0.148 -9.172 -2.428 1.00 0.00 C ATOM 444 NE ARG A 315 0.585 -10.012 -1.278 1.00 0.00 N ATOM 445 CZ ARG A 315 1.851 -10.095 -0.975 1.00 0.00 C ATOM 446 NH1 ARG A 315 2.736 -9.462 -1.695 1.00 0.00 N ATOM 447 NH2 ARG A 315 2.233 -10.817 0.043 1.00 0.00 N ATOM 0 H ARG A 315 -1.257 -6.055 -2.057 1.00 0.00 H new ATOM 0 HA ARG A 315 -3.143 -7.699 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -1.916 -8.566 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -3.213 -9.398 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -1.429 -10.638 -2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -1.441 -9.367 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.825 -9.309 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 315 0.185 -8.117 -2.158 1.00 0.00 H new ATOM 0 HE ARG A 315 -0.106 -10.522 -0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 315 2.438 -8.903 -2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 315 3.726 -9.526 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 315 1.541 -11.317 0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 315 3.223 -10.882 0.280 1.00 0.00 H new ATOM 461 N LEU A 316 -4.896 -6.444 -2.358 1.00 0.00 N ATOM 462 CA LEU A 316 -5.919 -5.725 -1.560 1.00 0.00 C ATOM 463 C LEU A 316 -6.770 -6.753 -0.826 1.00 0.00 C ATOM 464 O LEU A 316 -7.444 -7.572 -1.418 1.00 0.00 O ATOM 465 CB LEU A 316 -6.798 -4.886 -2.490 1.00 0.00 C ATOM 466 CG LEU A 316 -7.407 -3.713 -1.717 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.227 -2.849 -2.675 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.308 -4.240 -0.596 1.00 0.00 C ATOM 0 H LEU A 316 -5.178 -6.683 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.438 -5.062 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.206 -4.513 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.590 -5.505 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.609 -3.115 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.662 -2.013 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.580 -2.469 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -9.024 -3.449 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.738 -3.400 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -9.109 -4.842 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.719 -4.853 0.086 1.00 0.00 H new ATOM 480 N LEU A 317 -6.726 -6.707 0.464 1.00 0.00 N ATOM 481 CA LEU A 317 -7.504 -7.663 1.305 1.00 0.00 C ATOM 482 C LEU A 317 -8.695 -6.913 1.879 1.00 0.00 C ATOM 483 O LEU A 317 -9.186 -6.017 1.237 1.00 0.00 O ATOM 484 CB LEU A 317 -6.598 -8.182 2.422 1.00 0.00 C ATOM 485 CG LEU A 317 -5.215 -8.487 1.835 1.00 0.00 C ATOM 486 CD1 LEU A 317 -4.303 -9.046 2.919 1.00 0.00 C ATOM 487 CD2 LEU A 317 -5.356 -9.516 0.709 1.00 0.00 C ATOM 0 H LEU A 317 -6.172 -6.033 0.993 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.858 -8.514 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -6.516 -7.440 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -7.025 -9.080 2.868 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.782 -7.567 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -3.322 -9.260 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -4.200 -8.314 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -4.734 -9.964 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -4.374 -9.734 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -5.793 -10.432 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -6.002 -9.115 -0.072 1.00 0.00 H new ATOM 499 N TYR A 318 -9.139 -7.280 3.072 1.00 0.00 N ATOM 500 CA TYR A 318 -10.312 -6.607 3.764 1.00 0.00 C ATOM 501 C TYR A 318 -10.727 -5.312 3.030 1.00 0.00 C ATOM 502 O TYR A 318 -9.875 -4.618 2.533 1.00 0.00 O ATOM 503 CB TYR A 318 -9.861 -6.258 5.197 1.00 0.00 C ATOM 504 CG TYR A 318 -11.026 -6.299 6.156 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.493 -7.527 6.630 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.637 -5.108 6.568 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.574 -7.569 7.519 1.00 0.00 C ATOM 508 CE2 TYR A 318 -12.718 -5.147 7.455 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.187 -6.379 7.932 1.00 0.00 C ATOM 510 OH TYR A 318 -14.252 -6.419 8.808 1.00 0.00 O ATOM 0 H TYR A 318 -8.726 -8.040 3.612 1.00 0.00 H new ATOM 0 HA TYR A 318 -11.171 -7.278 3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -9.093 -6.960 5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.410 -5.266 5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -11.020 -8.444 6.311 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.274 -4.160 6.201 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.935 -8.518 7.886 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.191 -4.229 7.772 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.559 -5.507 8.992 1.00 0.00 H new ATOM 520 N PRO A 319 -12.009 -4.988 2.956 1.00 0.00 N ATOM 521 CA PRO A 319 -12.510 -3.770 2.256 1.00 0.00 C ATOM 522 C PRO A 319 -11.488 -2.630 2.136 1.00 0.00 C ATOM 523 O PRO A 319 -11.629 -1.755 1.305 1.00 0.00 O ATOM 524 CB PRO A 319 -13.694 -3.373 3.123 1.00 0.00 C ATOM 525 CG PRO A 319 -14.300 -4.685 3.538 1.00 0.00 C ATOM 526 CD PRO A 319 -13.153 -5.727 3.528 1.00 0.00 C ATOM 0 HA PRO A 319 -12.752 -3.973 1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.377 -2.789 3.987 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.407 -2.762 2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.746 -4.609 4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -15.095 -4.978 2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.933 -6.089 4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.409 -6.598 2.924 1.00 0.00 H new ATOM 534 N ALA A 320 -10.450 -2.637 2.926 1.00 0.00 N ATOM 535 CA ALA A 320 -9.432 -1.560 2.806 1.00 0.00 C ATOM 536 C ALA A 320 -8.072 -2.007 3.368 1.00 0.00 C ATOM 537 O ALA A 320 -7.406 -1.230 4.025 1.00 0.00 O ATOM 538 CB ALA A 320 -9.913 -0.337 3.575 1.00 0.00 C ATOM 0 H ALA A 320 -10.265 -3.337 3.644 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.303 -1.325 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.173 0.459 3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -10.861 0.005 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.050 -0.598 4.624 1.00 0.00 H new ATOM 544 N LYS A 321 -7.627 -3.230 3.108 1.00 0.00 N ATOM 545 CA LYS A 321 -6.274 -3.663 3.634 1.00 0.00 C ATOM 546 C LYS A 321 -5.333 -3.902 2.444 1.00 0.00 C ATOM 547 O LYS A 321 -5.688 -4.553 1.482 1.00 0.00 O ATOM 548 CB LYS A 321 -6.414 -4.959 4.481 1.00 0.00 C ATOM 549 CG LYS A 321 -6.489 -4.645 6.007 1.00 0.00 C ATOM 550 CD LYS A 321 -5.776 -5.737 6.824 1.00 0.00 C ATOM 551 CE LYS A 321 -6.517 -7.069 6.691 1.00 0.00 C ATOM 552 NZ LYS A 321 -7.737 -7.044 7.544 1.00 0.00 N ATOM 0 H LYS A 321 -8.130 -3.933 2.566 1.00 0.00 H new ATOM 0 HA LYS A 321 -5.863 -2.883 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.311 -5.498 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.566 -5.615 4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -6.030 -3.677 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.531 -4.574 6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -4.749 -5.848 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -5.728 -5.443 7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -6.791 -7.243 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -5.867 -7.891 6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -8.328 -7.872 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -7.460 -7.067 8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -8.276 -6.175 7.354 1.00 0.00 H new ATOM 566 N LEU A 322 -4.135 -3.361 2.509 1.00 0.00 N ATOM 567 CA LEU A 322 -3.148 -3.525 1.389 1.00 0.00 C ATOM 568 C LEU A 322 -1.884 -4.222 1.904 1.00 0.00 C ATOM 569 O LEU A 322 -1.191 -3.714 2.764 1.00 0.00 O ATOM 570 CB LEU A 322 -2.790 -2.130 0.851 1.00 0.00 C ATOM 571 CG LEU A 322 -2.306 -2.203 -0.610 1.00 0.00 C ATOM 572 CD1 LEU A 322 -1.125 -3.173 -0.721 1.00 0.00 C ATOM 573 CD2 LEU A 322 -3.452 -2.658 -1.542 1.00 0.00 C ATOM 0 H LEU A 322 -3.797 -2.808 3.297 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.582 -4.134 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.661 -1.478 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.012 -1.686 1.473 1.00 0.00 H new ATOM 0 HG LEU A 322 -1.984 -1.208 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -0.788 -3.219 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.308 -2.825 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -1.438 -4.165 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -3.090 -2.703 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -3.800 -3.645 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -4.276 -1.947 -1.479 1.00 0.00 H new ATOM 585 N SER A 323 -1.577 -5.381 1.374 1.00 0.00 N ATOM 586 CA SER A 323 -0.352 -6.123 1.811 1.00 0.00 C ATOM 587 C SER A 323 0.730 -6.004 0.740 1.00 0.00 C ATOM 588 O SER A 323 0.450 -6.002 -0.443 1.00 0.00 O ATOM 589 CB SER A 323 -0.702 -7.599 2.015 1.00 0.00 C ATOM 590 OG SER A 323 0.484 -8.324 2.317 1.00 0.00 O ATOM 0 H SER A 323 -2.126 -5.848 0.652 1.00 0.00 H new ATOM 0 HA SER A 323 0.015 -5.698 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.424 -7.705 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.170 -8.002 1.117 1.00 0.00 H new ATOM 0 HG SER A 323 0.264 -9.270 2.450 1.00 0.00 H new ATOM 596 N ILE A 324 1.971 -5.910 1.151 1.00 0.00 N ATOM 597 CA ILE A 324 3.097 -5.795 0.178 1.00 0.00 C ATOM 598 C ILE A 324 4.230 -6.747 0.594 1.00 0.00 C ATOM 599 O ILE A 324 4.397 -7.078 1.748 1.00 0.00 O ATOM 600 CB ILE A 324 3.592 -4.341 0.115 1.00 0.00 C ATOM 601 CG1 ILE A 324 4.449 -3.978 1.338 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.399 -3.387 0.031 1.00 0.00 C ATOM 603 CD1 ILE A 324 3.689 -4.243 2.640 1.00 0.00 C ATOM 0 H ILE A 324 2.253 -5.908 2.131 1.00 0.00 H new ATOM 0 HA ILE A 324 2.753 -6.077 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 324 4.212 -4.243 -0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 324 5.371 -4.560 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 324 4.735 -2.927 1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.758 -2.359 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 324 1.819 -3.608 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.769 -3.514 0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 324 4.319 -3.978 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 324 2.780 -3.641 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 324 3.426 -5.299 2.699 1.00 0.00 H new ATOM 615 N THR A 325 4.984 -7.224 -0.358 1.00 0.00 N ATOM 616 CA THR A 325 6.093 -8.191 -0.057 1.00 0.00 C ATOM 617 C THR A 325 7.466 -7.518 -0.214 1.00 0.00 C ATOM 618 O THR A 325 7.920 -7.283 -1.312 1.00 0.00 O ATOM 619 CB THR A 325 5.980 -9.366 -1.041 1.00 0.00 C ATOM 620 OG1 THR A 325 4.839 -10.144 -0.708 1.00 0.00 O ATOM 621 CG2 THR A 325 7.232 -10.244 -0.962 1.00 0.00 C ATOM 0 H THR A 325 4.882 -6.986 -1.345 1.00 0.00 H new ATOM 0 HA THR A 325 6.004 -8.537 0.973 1.00 0.00 H new ATOM 0 HB THR A 325 5.884 -8.976 -2.054 1.00 0.00 H new ATOM 0 HG1 THR A 325 4.706 -10.837 -1.388 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.140 -11.073 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.110 -9.650 -1.216 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.339 -10.635 0.050 1.00 0.00 H new ATOM 629 N ILE A 326 8.144 -7.239 0.878 1.00 0.00 N ATOM 630 CA ILE A 326 9.507 -6.610 0.794 1.00 0.00 C ATOM 631 C ILE A 326 10.541 -7.580 1.372 1.00 0.00 C ATOM 632 O ILE A 326 10.337 -8.166 2.416 1.00 0.00 O ATOM 633 CB ILE A 326 9.532 -5.300 1.597 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.204 -4.541 1.384 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.724 -4.449 1.133 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.388 -3.035 1.615 1.00 0.00 C ATOM 0 H ILE A 326 7.812 -7.420 1.825 1.00 0.00 H new ATOM 0 HA ILE A 326 9.741 -6.393 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 326 9.643 -5.513 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 326 7.840 -4.715 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.447 -4.927 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.748 -3.518 1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.650 -4.999 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 326 10.620 -4.226 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.438 -2.524 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 326 8.729 -2.862 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 326 9.128 -2.647 0.915 1.00 0.00 H new ATOM 648 N ASP A 327 11.652 -7.745 0.700 1.00 0.00 N ATOM 649 CA ASP A 327 12.715 -8.672 1.201 1.00 0.00 C ATOM 650 C ASP A 327 12.083 -9.954 1.749 1.00 0.00 C ATOM 651 O ASP A 327 12.615 -10.591 2.638 1.00 0.00 O ATOM 652 CB ASP A 327 13.510 -7.982 2.311 1.00 0.00 C ATOM 653 CG ASP A 327 14.136 -6.698 1.767 1.00 0.00 C ATOM 654 OD1 ASP A 327 14.869 -6.785 0.796 1.00 0.00 O ATOM 655 OD2 ASP A 327 13.869 -5.649 2.329 1.00 0.00 O ATOM 0 H ASP A 327 11.871 -7.276 -0.179 1.00 0.00 H new ATOM 0 HA ASP A 327 13.380 -8.929 0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 327 12.856 -7.752 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 327 14.288 -8.649 2.684 1.00 0.00 H new ATOM 660 N GLY A 328 10.953 -10.336 1.225 1.00 0.00 N ATOM 661 CA GLY A 328 10.279 -11.577 1.711 1.00 0.00 C ATOM 662 C GLY A 328 9.390 -11.245 2.912 1.00 0.00 C ATOM 663 O GLY A 328 8.409 -11.914 3.172 1.00 0.00 O ATOM 0 H GLY A 328 10.464 -9.842 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.679 -12.013 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.024 -12.321 1.993 1.00 0.00 H new ATOM 667 N GLU A 329 9.722 -10.217 3.648 1.00 0.00 N ATOM 668 CA GLU A 329 8.890 -9.851 4.831 1.00 0.00 C ATOM 669 C GLU A 329 7.603 -9.173 4.347 1.00 0.00 C ATOM 670 O GLU A 329 7.628 -8.131 3.721 1.00 0.00 O ATOM 671 CB GLU A 329 9.691 -8.899 5.751 1.00 0.00 C ATOM 672 CG GLU A 329 10.188 -9.654 6.989 1.00 0.00 C ATOM 673 CD GLU A 329 11.089 -8.740 7.822 1.00 0.00 C ATOM 674 OE1 GLU A 329 10.602 -7.718 8.280 1.00 0.00 O ATOM 675 OE2 GLU A 329 12.250 -9.075 7.988 1.00 0.00 O ATOM 0 H GLU A 329 10.530 -9.617 3.482 1.00 0.00 H new ATOM 0 HA GLU A 329 8.630 -10.745 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 329 10.538 -8.482 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 329 9.063 -8.061 6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 329 9.341 -9.989 7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 329 10.737 -10.546 6.687 1.00 0.00 H new ATOM 682 N THR A 330 6.480 -9.766 4.635 1.00 0.00 N ATOM 683 CA THR A 330 5.175 -9.180 4.203 1.00 0.00 C ATOM 684 C THR A 330 4.630 -8.248 5.290 1.00 0.00 C ATOM 685 O THR A 330 4.661 -8.565 6.462 1.00 0.00 O ATOM 686 CB THR A 330 4.175 -10.311 3.956 1.00 0.00 C ATOM 687 OG1 THR A 330 4.637 -11.123 2.885 1.00 0.00 O ATOM 688 CG2 THR A 330 2.808 -9.723 3.599 1.00 0.00 C ATOM 0 H THR A 330 6.406 -10.640 5.156 1.00 0.00 H new ATOM 0 HA THR A 330 5.324 -8.608 3.287 1.00 0.00 H new ATOM 0 HB THR A 330 4.082 -10.915 4.859 1.00 0.00 H new ATOM 0 HG1 THR A 330 3.999 -11.849 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 330 2.099 -10.532 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 330 2.454 -9.101 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 330 2.897 -9.117 2.698 1.00 0.00 H new ATOM 696 N LYS A 331 4.112 -7.106 4.903 1.00 0.00 N ATOM 697 CA LYS A 331 3.535 -6.145 5.897 1.00 0.00 C ATOM 698 C LYS A 331 2.171 -5.692 5.365 1.00 0.00 C ATOM 699 O LYS A 331 1.892 -5.808 4.188 1.00 0.00 O ATOM 700 CB LYS A 331 4.495 -4.937 6.059 1.00 0.00 C ATOM 701 CG LYS A 331 4.929 -4.775 7.525 1.00 0.00 C ATOM 702 CD LYS A 331 3.769 -4.202 8.344 1.00 0.00 C ATOM 703 CE LYS A 331 4.229 -3.969 9.784 1.00 0.00 C ATOM 704 NZ LYS A 331 4.417 -5.283 10.464 1.00 0.00 N ATOM 0 H LYS A 331 4.064 -6.796 3.932 1.00 0.00 H new ATOM 0 HA LYS A 331 3.412 -6.612 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.373 -5.078 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.001 -4.027 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 331 5.234 -5.739 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 331 5.793 -4.114 7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 331 3.427 -3.265 7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 331 2.923 -4.890 8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 331 5.162 -3.406 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 331 3.492 -3.372 10.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 4.496 -5.135 11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 3.602 -5.897 10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 5.285 -5.735 10.112 1.00 0.00 H new ATOM 718 N VAL A 332 1.311 -5.194 6.215 1.00 0.00 N ATOM 719 CA VAL A 332 -0.037 -4.761 5.737 1.00 0.00 C ATOM 720 C VAL A 332 -0.503 -3.525 6.509 1.00 0.00 C ATOM 721 O VAL A 332 -0.123 -3.305 7.642 1.00 0.00 O ATOM 722 CB VAL A 332 -1.028 -5.911 5.949 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.237 -5.728 5.032 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.350 -7.240 5.609 1.00 0.00 C ATOM 0 H VAL A 332 1.481 -5.069 7.213 1.00 0.00 H new ATOM 0 HA VAL A 332 0.017 -4.506 4.679 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.352 -5.913 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -2.938 -6.548 5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.728 -4.782 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.908 -5.723 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -1.055 -8.057 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 332 -0.026 -7.228 4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.515 -7.383 6.256 1.00 0.00 H new ATOM 734 N PHE A 333 -1.330 -2.713 5.893 1.00 0.00 N ATOM 735 CA PHE A 333 -1.838 -1.480 6.569 1.00 0.00 C ATOM 736 C PHE A 333 -3.337 -1.335 6.295 1.00 0.00 C ATOM 737 O PHE A 333 -3.843 -1.815 5.301 1.00 0.00 O ATOM 738 CB PHE A 333 -1.090 -0.263 6.022 1.00 0.00 C ATOM 739 CG PHE A 333 0.373 -0.601 5.883 1.00 0.00 C ATOM 740 CD1 PHE A 333 0.846 -1.182 4.701 1.00 0.00 C ATOM 741 CD2 PHE A 333 1.258 -0.336 6.935 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.202 -1.498 4.570 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.615 -0.651 6.804 1.00 0.00 C ATOM 744 CZ PHE A 333 3.088 -1.232 5.622 1.00 0.00 C ATOM 0 H PHE A 333 -1.676 -2.854 4.944 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.674 -1.551 7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.502 0.028 5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.217 0.588 6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.163 -1.386 3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.893 0.112 7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.566 -1.947 3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 333 3.298 -0.446 7.615 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.135 -1.475 5.521 1.00 0.00 H new ATOM 754 N HIS A 334 -4.053 -0.684 7.180 1.00 0.00 N ATOM 755 CA HIS A 334 -5.530 -0.509 6.992 1.00 0.00 C ATOM 756 C HIS A 334 -5.823 0.922 6.516 1.00 0.00 C ATOM 757 O HIS A 334 -6.525 1.129 5.547 1.00 0.00 O ATOM 758 CB HIS A 334 -6.235 -0.778 8.343 1.00 0.00 C ATOM 759 CG HIS A 334 -7.539 -1.505 8.123 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.462 -1.097 7.173 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.081 -2.617 8.719 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.501 -1.952 7.225 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.319 -2.897 8.150 1.00 0.00 N ATOM 0 H HIS A 334 -3.676 -0.264 8.030 1.00 0.00 H new ATOM 0 HA HIS A 334 -5.899 -1.208 6.241 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.586 -1.371 8.987 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.420 0.165 8.858 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -7.617 -3.188 9.510 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.375 -1.882 6.595 1.00 0.00 H new ATOM 0 HE2 HIS A 334 -9.952 -3.661 8.388 1.00 0.00 H new ATOM 771 N ASP A 335 -5.298 1.909 7.194 1.00 0.00 N ATOM 772 CA ASP A 335 -5.557 3.322 6.781 1.00 0.00 C ATOM 773 C ASP A 335 -4.567 3.726 5.684 1.00 0.00 C ATOM 774 O ASP A 335 -3.563 3.078 5.473 1.00 0.00 O ATOM 775 CB ASP A 335 -5.384 4.243 7.995 1.00 0.00 C ATOM 776 CG ASP A 335 -6.046 5.595 7.717 1.00 0.00 C ATOM 777 OD1 ASP A 335 -5.667 6.230 6.747 1.00 0.00 O ATOM 778 OD2 ASP A 335 -6.920 5.971 8.479 1.00 0.00 O ATOM 0 H ASP A 335 -4.702 1.799 8.014 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.573 3.410 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -5.829 3.784 8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -4.324 4.383 8.209 1.00 0.00 H new ATOM 783 N LYS A 336 -4.845 4.796 4.982 1.00 0.00 N ATOM 784 CA LYS A 336 -3.920 5.240 3.898 1.00 0.00 C ATOM 785 C LYS A 336 -2.760 6.032 4.502 1.00 0.00 C ATOM 786 O LYS A 336 -1.668 6.051 3.970 1.00 0.00 O ATOM 787 CB LYS A 336 -4.678 6.111 2.891 1.00 0.00 C ATOM 788 CG LYS A 336 -5.415 7.234 3.623 1.00 0.00 C ATOM 789 CD LYS A 336 -6.120 8.127 2.600 1.00 0.00 C ATOM 790 CE LYS A 336 -6.788 9.300 3.319 1.00 0.00 C ATOM 791 NZ LYS A 336 -5.756 10.081 4.055 1.00 0.00 N ATOM 0 H LYS A 336 -5.671 5.379 5.113 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.525 4.364 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -3.982 6.533 2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.389 5.502 2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -6.142 6.815 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -4.712 7.822 4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -5.402 8.497 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -6.865 7.551 2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -7.299 9.939 2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -7.545 8.933 4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -5.967 11.096 3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -5.760 9.803 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -4.819 9.890 3.646 1.00 0.00 H new ATOM 805 N THR A 337 -2.981 6.675 5.612 1.00 0.00 N ATOM 806 CA THR A 337 -1.881 7.451 6.249 1.00 0.00 C ATOM 807 C THR A 337 -0.806 6.485 6.729 1.00 0.00 C ATOM 808 O THR A 337 0.361 6.623 6.421 1.00 0.00 O ATOM 809 CB THR A 337 -2.427 8.212 7.460 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.383 9.169 7.026 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.275 8.918 8.177 1.00 0.00 C ATOM 0 H THR A 337 -3.873 6.698 6.106 1.00 0.00 H new ATOM 0 HA THR A 337 -1.466 8.153 5.526 1.00 0.00 H new ATOM 0 HB THR A 337 -2.905 7.514 8.147 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.734 9.655 7.801 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.661 9.461 9.040 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.546 8.179 8.510 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.795 9.618 7.493 1.00 0.00 H new ATOM 819 N LYS A 338 -1.202 5.509 7.491 1.00 0.00 N ATOM 820 CA LYS A 338 -0.236 4.518 8.022 1.00 0.00 C ATOM 821 C LYS A 338 0.711 4.060 6.903 1.00 0.00 C ATOM 822 O LYS A 338 1.909 3.983 7.087 1.00 0.00 O ATOM 823 CB LYS A 338 -1.050 3.341 8.575 1.00 0.00 C ATOM 824 CG LYS A 338 -0.312 2.624 9.743 1.00 0.00 C ATOM 825 CD LYS A 338 -1.328 2.180 10.826 1.00 0.00 C ATOM 826 CE LYS A 338 -1.429 3.240 11.930 1.00 0.00 C ATOM 827 NZ LYS A 338 -1.727 4.567 11.322 1.00 0.00 N ATOM 0 H LYS A 338 -2.170 5.355 7.772 1.00 0.00 H new ATOM 0 HA LYS A 338 0.379 4.949 8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -2.018 3.701 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.245 2.626 7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 338 0.228 1.757 9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.428 3.294 10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -2.307 2.023 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -1.019 1.227 11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 338 -2.212 2.969 12.638 1.00 0.00 H new ATOM 0 HE3 LYS A 338 -0.495 3.287 12.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 -1.879 5.268 12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 -0.926 4.865 10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 -2.584 4.496 10.737 1.00 0.00 H new ATOM 841 N PHE A 339 0.186 3.772 5.743 1.00 0.00 N ATOM 842 CA PHE A 339 1.067 3.339 4.622 1.00 0.00 C ATOM 843 C PHE A 339 2.059 4.462 4.313 1.00 0.00 C ATOM 844 O PHE A 339 3.255 4.284 4.379 1.00 0.00 O ATOM 845 CB PHE A 339 0.218 3.045 3.382 1.00 0.00 C ATOM 846 CG PHE A 339 1.115 2.652 2.229 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.657 1.362 2.170 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.395 3.573 1.214 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.478 0.994 1.096 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.216 3.206 0.141 1.00 0.00 C ATOM 851 CZ PHE A 339 2.759 1.914 0.081 1.00 0.00 C ATOM 0 H PHE A 339 -0.809 3.817 5.524 1.00 0.00 H new ATOM 0 HA PHE A 339 1.607 2.435 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.488 2.243 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.369 3.924 3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.442 0.650 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 339 0.977 4.568 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 339 2.894 -0.002 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.432 3.918 -0.641 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.392 1.631 -0.747 1.00 0.00 H new ATOM 861 N THR A 340 1.572 5.623 3.981 1.00 0.00 N ATOM 862 CA THR A 340 2.498 6.753 3.678 1.00 0.00 C ATOM 863 C THR A 340 3.554 6.860 4.784 1.00 0.00 C ATOM 864 O THR A 340 4.724 7.060 4.522 1.00 0.00 O ATOM 865 CB THR A 340 1.704 8.059 3.596 1.00 0.00 C ATOM 866 OG1 THR A 340 0.671 7.921 2.631 1.00 0.00 O ATOM 867 CG2 THR A 340 2.636 9.200 3.189 1.00 0.00 C ATOM 0 H THR A 340 0.578 5.840 3.906 1.00 0.00 H new ATOM 0 HA THR A 340 2.992 6.571 2.723 1.00 0.00 H new ATOM 0 HB THR A 340 1.266 8.281 4.569 1.00 0.00 H new ATOM 0 HG1 THR A 340 0.160 8.755 2.578 1.00 0.00 H new ATOM 0 HG21 THR A 340 2.069 10.129 3.131 1.00 0.00 H new ATOM 0 HG22 THR A 340 3.429 9.304 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 340 3.075 8.981 2.216 1.00 0.00 H new ATOM 875 N GLN A 341 3.152 6.721 6.018 1.00 0.00 N ATOM 876 CA GLN A 341 4.133 6.807 7.139 1.00 0.00 C ATOM 877 C GLN A 341 5.123 5.652 7.032 1.00 0.00 C ATOM 878 O GLN A 341 6.304 5.820 7.253 1.00 0.00 O ATOM 879 CB GLN A 341 3.391 6.735 8.476 1.00 0.00 C ATOM 880 CG GLN A 341 2.721 8.082 8.758 1.00 0.00 C ATOM 881 CD GLN A 341 2.055 8.046 10.134 1.00 0.00 C ATOM 882 OE1 GLN A 341 0.970 7.517 10.283 1.00 0.00 O ATOM 883 NE2 GLN A 341 2.663 8.588 11.154 1.00 0.00 N ATOM 0 H GLN A 341 2.186 6.551 6.299 1.00 0.00 H new ATOM 0 HA GLN A 341 4.673 7.752 7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.643 5.943 8.447 1.00 0.00 H new ATOM 0 HB3 GLN A 341 4.087 6.487 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 341 3.460 8.882 8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.979 8.298 7.989 1.00 0.00 H new ATOM 0 HE21 GLN A 341 3.573 9.032 11.029 1.00 0.00 H new ATOM 0 HE22 GLN A 341 2.228 8.568 12.076 1.00 0.00 H new ATOM 892 N TYR A 342 4.662 4.481 6.682 1.00 0.00 N ATOM 893 CA TYR A 342 5.608 3.335 6.556 1.00 0.00 C ATOM 894 C TYR A 342 6.756 3.757 5.631 1.00 0.00 C ATOM 895 O TYR A 342 7.897 3.394 5.835 1.00 0.00 O ATOM 896 CB TYR A 342 4.884 2.108 5.986 1.00 0.00 C ATOM 897 CG TYR A 342 5.896 1.039 5.642 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.640 0.429 6.657 1.00 0.00 C ATOM 899 CD2 TYR A 342 6.091 0.665 4.309 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.580 -0.558 6.338 1.00 0.00 C ATOM 901 CE2 TYR A 342 7.031 -0.320 3.988 1.00 0.00 C ATOM 902 CZ TYR A 342 7.776 -0.932 5.003 1.00 0.00 C ATOM 903 OH TYR A 342 8.703 -1.905 4.688 1.00 0.00 O ATOM 0 H TYR A 342 3.685 4.270 6.480 1.00 0.00 H new ATOM 0 HA TYR A 342 6.002 3.066 7.536 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.168 1.725 6.713 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.318 2.387 5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.489 0.719 7.686 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.515 1.137 3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 342 8.154 -1.031 7.121 1.00 0.00 H new ATOM 0 HE2 TYR A 342 7.182 -0.608 2.958 1.00 0.00 H new ATOM 0 HH TYR A 342 8.778 -2.538 5.432 1.00 0.00 H new ATOM 913 N LEU A 343 6.468 4.536 4.620 1.00 0.00 N ATOM 914 CA LEU A 343 7.557 4.997 3.706 1.00 0.00 C ATOM 915 C LEU A 343 8.252 6.207 4.329 1.00 0.00 C ATOM 916 O LEU A 343 9.459 6.328 4.291 1.00 0.00 O ATOM 917 CB LEU A 343 6.996 5.404 2.335 1.00 0.00 C ATOM 918 CG LEU A 343 5.815 4.521 1.939 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.235 5.062 0.638 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.283 3.081 1.716 1.00 0.00 C ATOM 0 H LEU A 343 5.533 4.871 4.388 1.00 0.00 H new ATOM 0 HA LEU A 343 8.259 4.175 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.681 6.447 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.780 5.328 1.581 1.00 0.00 H new ATOM 0 HG LEU A 343 5.067 4.529 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.388 4.447 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.902 6.089 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 343 5.999 5.038 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 343 5.432 2.461 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.027 3.059 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 343 6.724 2.695 2.635 1.00 0.00 H new ATOM 932 N SER A 344 7.498 7.108 4.901 1.00 0.00 N ATOM 933 CA SER A 344 8.123 8.307 5.522 1.00 0.00 C ATOM 934 C SER A 344 9.277 7.852 6.411 1.00 0.00 C ATOM 935 O SER A 344 10.232 8.571 6.630 1.00 0.00 O ATOM 936 CB SER A 344 7.085 9.048 6.368 1.00 0.00 C ATOM 937 OG SER A 344 7.566 10.353 6.662 1.00 0.00 O ATOM 0 H SER A 344 6.481 7.064 4.964 1.00 0.00 H new ATOM 0 HA SER A 344 8.493 8.977 4.746 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.138 9.109 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.894 8.501 7.291 1.00 0.00 H new ATOM 0 HG SER A 344 6.903 10.832 7.203 1.00 0.00 H new ATOM 943 N THR A 345 9.190 6.646 6.915 1.00 0.00 N ATOM 944 CA THR A 345 10.273 6.105 7.788 1.00 0.00 C ATOM 945 C THR A 345 11.146 5.141 6.975 1.00 0.00 C ATOM 946 O THR A 345 12.081 4.557 7.486 1.00 0.00 O ATOM 947 CB THR A 345 9.644 5.394 8.996 1.00 0.00 C ATOM 948 OG1 THR A 345 10.666 5.013 9.907 1.00 0.00 O ATOM 949 CG2 THR A 345 8.870 4.152 8.549 1.00 0.00 C ATOM 0 H THR A 345 8.409 6.010 6.757 1.00 0.00 H new ATOM 0 HA THR A 345 10.903 6.916 8.154 1.00 0.00 H new ATOM 0 HB THR A 345 8.951 6.080 9.483 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.493 4.830 9.413 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.432 3.663 9.419 1.00 0.00 H new ATOM 0 HG22 THR A 345 8.077 4.445 7.861 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.548 3.461 8.048 1.00 0.00 H new ATOM 957 N ASN A 346 10.856 4.979 5.703 1.00 0.00 N ATOM 958 CA ASN A 346 11.675 4.064 4.846 1.00 0.00 C ATOM 959 C ASN A 346 11.843 4.719 3.473 1.00 0.00 C ATOM 960 O ASN A 346 11.276 4.281 2.492 1.00 0.00 O ATOM 961 CB ASN A 346 10.963 2.716 4.695 1.00 0.00 C ATOM 962 CG ASN A 346 11.881 1.729 3.972 1.00 0.00 C ATOM 963 OD1 ASN A 346 12.896 1.325 4.503 1.00 0.00 O ATOM 964 ND2 ASN A 346 11.564 1.321 2.774 1.00 0.00 N ATOM 0 H ASN A 346 10.085 5.443 5.222 1.00 0.00 H new ATOM 0 HA ASN A 346 12.649 3.892 5.303 1.00 0.00 H new ATOM 0 HB2 ASN A 346 10.692 2.325 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 346 10.036 2.843 4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 346 12.169 0.662 2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 346 10.712 1.661 2.329 1.00 0.00 H new ATOM 971 N PRO A 347 12.607 5.780 3.418 1.00 0.00 N ATOM 972 CA PRO A 347 12.854 6.547 2.162 1.00 0.00 C ATOM 973 C PRO A 347 13.103 5.647 0.949 1.00 0.00 C ATOM 974 O PRO A 347 12.748 5.986 -0.161 1.00 0.00 O ATOM 975 CB PRO A 347 14.098 7.374 2.495 1.00 0.00 C ATOM 976 CG PRO A 347 13.997 7.621 3.965 1.00 0.00 C ATOM 977 CD PRO A 347 13.333 6.372 4.558 1.00 0.00 C ATOM 0 HA PRO A 347 11.989 7.146 1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 347 15.012 6.836 2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.115 8.309 1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 347 14.982 7.784 4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.405 8.513 4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.072 5.681 4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.656 6.628 5.373 1.00 0.00 H new ATOM 985 N ALA A 348 13.712 4.507 1.150 1.00 0.00 N ATOM 986 CA ALA A 348 13.993 3.584 0.006 1.00 0.00 C ATOM 987 C ALA A 348 12.790 3.535 -0.940 1.00 0.00 C ATOM 988 O ALA A 348 12.922 3.677 -2.143 1.00 0.00 O ATOM 989 CB ALA A 348 14.270 2.180 0.546 1.00 0.00 C ATOM 0 H ALA A 348 14.029 4.173 2.060 1.00 0.00 H new ATOM 0 HA ALA A 348 14.862 3.949 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.475 1.505 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.133 2.210 1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.399 1.824 1.097 1.00 0.00 H new ATOM 995 N LEU A 349 11.615 3.342 -0.411 1.00 0.00 N ATOM 996 CA LEU A 349 10.412 3.288 -1.289 1.00 0.00 C ATOM 997 C LEU A 349 10.069 4.699 -1.778 1.00 0.00 C ATOM 998 O LEU A 349 9.856 4.921 -2.951 1.00 0.00 O ATOM 999 CB LEU A 349 9.222 2.726 -0.507 1.00 0.00 C ATOM 1000 CG LEU A 349 9.345 1.201 -0.374 1.00 0.00 C ATOM 1001 CD1 LEU A 349 8.253 0.703 0.578 1.00 0.00 C ATOM 1002 CD2 LEU A 349 9.187 0.515 -1.752 1.00 0.00 C ATOM 0 H LEU A 349 11.435 3.220 0.586 1.00 0.00 H new ATOM 0 HA LEU A 349 10.624 2.643 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.180 3.182 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.292 2.980 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 349 10.331 0.953 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 349 8.327 -0.379 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.380 1.172 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.274 0.962 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 349 9.278 -0.565 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.208 0.753 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 349 9.964 0.872 -2.428 1.00 0.00 H new ATOM 1014 N GLN A 350 9.998 5.647 -0.880 1.00 0.00 N ATOM 1015 CA GLN A 350 9.645 7.047 -1.272 1.00 0.00 C ATOM 1016 C GLN A 350 10.347 7.446 -2.574 1.00 0.00 C ATOM 1017 O GLN A 350 9.718 7.895 -3.511 1.00 0.00 O ATOM 1018 CB GLN A 350 10.073 8.004 -0.158 1.00 0.00 C ATOM 1019 CG GLN A 350 9.391 7.608 1.153 1.00 0.00 C ATOM 1020 CD GLN A 350 9.678 8.668 2.218 1.00 0.00 C ATOM 1021 OE1 GLN A 350 10.320 8.389 3.212 1.00 0.00 O ATOM 1022 NE2 GLN A 350 9.228 9.882 2.052 1.00 0.00 N ATOM 0 H GLN A 350 10.171 5.512 0.116 1.00 0.00 H new ATOM 0 HA GLN A 350 8.568 7.102 -1.427 1.00 0.00 H new ATOM 0 HB2 GLN A 350 11.156 7.977 -0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 350 9.807 9.027 -0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 350 8.316 7.511 1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 350 9.755 6.636 1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 350 8.689 10.117 1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 350 9.415 10.596 2.756 1.00 0.00 H new ATOM 1031 N ARG A 351 11.641 7.300 -2.642 1.00 0.00 N ATOM 1032 CA ARG A 351 12.367 7.688 -3.886 1.00 0.00 C ATOM 1033 C ARG A 351 11.879 6.846 -5.062 1.00 0.00 C ATOM 1034 O ARG A 351 11.714 7.336 -6.161 1.00 0.00 O ATOM 1035 CB ARG A 351 13.868 7.460 -3.699 1.00 0.00 C ATOM 1036 CG ARG A 351 14.301 8.033 -2.354 1.00 0.00 C ATOM 1037 CD ARG A 351 15.822 7.940 -2.219 1.00 0.00 C ATOM 1038 NE ARG A 351 16.226 6.510 -2.134 1.00 0.00 N ATOM 1039 CZ ARG A 351 17.475 6.175 -2.309 1.00 0.00 C ATOM 1040 NH1 ARG A 351 18.367 7.093 -2.563 1.00 0.00 N ATOM 1041 NH2 ARG A 351 17.832 4.921 -2.232 1.00 0.00 N ATOM 0 H ARG A 351 12.227 6.930 -1.893 1.00 0.00 H new ATOM 0 HA ARG A 351 12.175 8.741 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.094 6.395 -3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.423 7.937 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 351 13.982 9.072 -2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 351 13.820 7.486 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.303 8.415 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.152 8.476 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 351 15.527 5.793 -1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 351 18.088 8.072 -2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 351 19.343 6.831 -2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 351 17.134 4.203 -2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 351 18.808 4.659 -2.369 1.00 0.00 H new ATOM 1055 N ILE A 352 11.667 5.576 -4.853 1.00 0.00 N ATOM 1056 CA ILE A 352 11.214 4.714 -5.987 1.00 0.00 C ATOM 1057 C ILE A 352 9.719 4.919 -6.271 1.00 0.00 C ATOM 1058 O ILE A 352 9.342 5.307 -7.360 1.00 0.00 O ATOM 1059 CB ILE A 352 11.476 3.245 -5.654 1.00 0.00 C ATOM 1060 CG1 ILE A 352 12.952 3.065 -5.288 1.00 0.00 C ATOM 1061 CG2 ILE A 352 11.144 2.389 -6.878 1.00 0.00 C ATOM 1062 CD1 ILE A 352 13.180 1.652 -4.751 1.00 0.00 C ATOM 0 H ILE A 352 11.785 5.100 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 352 11.776 4.996 -6.878 1.00 0.00 H new ATOM 0 HB ILE A 352 10.854 2.938 -4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.578 3.237 -6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.243 3.801 -4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 352 11.328 1.339 -6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 352 10.095 2.524 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.772 2.693 -7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 352 14.231 1.527 -4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.566 1.496 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 352 12.906 0.924 -5.514 1.00 0.00 H new ATOM 1074 N ILE A 353 8.860 4.659 -5.321 1.00 0.00 N ATOM 1075 CA ILE A 353 7.404 4.840 -5.577 1.00 0.00 C ATOM 1076 C ILE A 353 7.149 6.260 -6.084 1.00 0.00 C ATOM 1077 O ILE A 353 7.674 7.221 -5.558 1.00 0.00 O ATOM 1078 CB ILE A 353 6.614 4.594 -4.281 1.00 0.00 C ATOM 1079 CG1 ILE A 353 6.966 5.668 -3.210 1.00 0.00 C ATOM 1080 CG2 ILE A 353 6.957 3.195 -3.749 1.00 0.00 C ATOM 1081 CD1 ILE A 353 5.882 6.758 -3.161 1.00 0.00 C ATOM 0 H ILE A 353 9.103 4.332 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 353 7.076 4.125 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 353 5.547 4.662 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 353 7.060 5.197 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 353 7.932 6.118 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 353 6.402 3.009 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 353 6.686 2.446 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 353 8.026 3.135 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.145 7.500 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 353 5.808 7.242 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 353 4.923 6.306 -2.906 1.00 0.00 H new TER 1093 ILE A 353