USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 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 342 TYR OH : rot -104:sc= 0.0176 USER MOD Set 1.2: A 346 ASN : amide:sc= -5.52 K(o=-5.5,f=-2.9) USER MOD Set 2.1: A 310 HIS : no HD1:sc= -8.66! C(o=-16!,f=-21!) USER MOD Set 2.2: A 312 CYS SG : rot -69:sc= -7.15! USER MOD Single : A 290 SER OG : rot 180:sc= 0.00109 USER MOD Single : A 293 THR OG1 : rot -110:sc= -0.25 USER MOD Single : A 294 MET CE :methyl 141:sc= -0.287 (180deg=-2.3!) USER MOD Single : A 295 LYS NZ :NH3+ -129:sc= -2.47 (180deg=-7.3!) USER MOD Single : A 301 THR OG1 : rot 65:sc= 0.886 USER MOD Single : A 305 GLN : amide:sc= -2.86! C(o=-2.9!,f=-5.1!) USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 GLN : amide:sc= -0.0223 X(o=-0.022,f=-0.022) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ -135:sc= -0.064 (180deg=-2.58!) USER MOD Single : A 323 SER OG : rot 19:sc= 0.152 USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 330 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ -154:sc= -0.0959 (180deg=-0.746) USER MOD Single : A 334 HIS : no HD1:sc= -0.247 K(o=-0.25,f=-0.97) USER MOD Single : A 336 LYS NZ :NH3+ -160:sc= -0.0305 (180deg=-0.533) USER MOD Single : A 337 THR OG1 : rot 93:sc= 0.821 USER MOD Single : A 338 LYS NZ :NH3+ -162:sc= -0.022 (180deg=-0.309) USER MOD Single : A 340 THR OG1 : rot 85:sc= 0.562 USER MOD Single : A 341 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.7) USER MOD Single : A 344 SER OG : rot -170:sc= -0.379 USER MOD Single : A 345 THR OG1 : rot -46:sc= 0.144 USER MOD Single : A 350 GLN : amide:sc= -2.08! K(o=-2.1!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.371 2.808 2.983 1.00 0.00 N ATOM 2 CA PHE A 289 -18.053 2.314 2.507 1.00 0.00 C ATOM 3 C PHE A 289 -17.731 2.963 1.167 1.00 0.00 C ATOM 4 O PHE A 289 -16.833 2.552 0.460 1.00 0.00 O ATOM 5 CB PHE A 289 -18.118 0.802 2.320 1.00 0.00 C ATOM 6 CG PHE A 289 -18.554 0.152 3.609 1.00 0.00 C ATOM 7 CD1 PHE A 289 -19.916 0.047 3.908 1.00 0.00 C ATOM 8 CD2 PHE A 289 -17.599 -0.342 4.503 1.00 0.00 C ATOM 9 CE1 PHE A 289 -20.325 -0.554 5.105 1.00 0.00 C ATOM 10 CE2 PHE A 289 -18.005 -0.944 5.700 1.00 0.00 C ATOM 11 CZ PHE A 289 -19.369 -1.050 6.001 1.00 0.00 C ATOM 0 HA PHE A 289 -17.284 2.564 3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -18.817 0.554 1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.142 0.420 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -20.652 0.429 3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -16.548 -0.259 4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -21.377 -0.635 5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -17.268 -1.326 6.390 1.00 0.00 H new ATOM 0 HZ PHE A 289 -19.684 -1.514 6.924 1.00 0.00 H new ATOM 21 N SER A 290 -18.475 3.965 0.804 1.00 0.00 N ATOM 22 CA SER A 290 -18.246 4.648 -0.502 1.00 0.00 C ATOM 23 C SER A 290 -17.323 5.863 -0.332 1.00 0.00 C ATOM 24 O SER A 290 -16.488 6.127 -1.175 1.00 0.00 O ATOM 25 CB SER A 290 -19.602 5.088 -1.090 1.00 0.00 C ATOM 26 OG SER A 290 -20.633 4.285 -0.529 1.00 0.00 O ATOM 0 H SER A 290 -19.241 4.346 1.360 1.00 0.00 H new ATOM 0 HA SER A 290 -17.759 3.951 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 290 -19.783 6.140 -0.871 1.00 0.00 H new ATOM 0 HB3 SER A 290 -19.593 4.985 -2.175 1.00 0.00 H new ATOM 0 HG SER A 290 -21.499 4.560 -0.897 1.00 0.00 H new ATOM 32 N PRO A 291 -17.477 6.611 0.727 1.00 0.00 N ATOM 33 CA PRO A 291 -16.660 7.819 0.976 1.00 0.00 C ATOM 34 C PRO A 291 -15.378 7.535 1.772 1.00 0.00 C ATOM 35 O PRO A 291 -14.310 7.986 1.417 1.00 0.00 O ATOM 36 CB PRO A 291 -17.616 8.705 1.774 1.00 0.00 C ATOM 37 CG PRO A 291 -18.458 7.746 2.567 1.00 0.00 C ATOM 38 CD PRO A 291 -18.441 6.398 1.814 1.00 0.00 C ATOM 0 HA PRO A 291 -16.296 8.266 0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.071 9.386 2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.230 9.318 1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -18.062 7.629 3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -19.477 8.119 2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -18.133 5.580 2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -19.428 6.144 1.428 1.00 0.00 H new ATOM 46 N GLU A 292 -15.481 6.821 2.862 1.00 0.00 N ATOM 47 CA GLU A 292 -14.263 6.549 3.699 1.00 0.00 C ATOM 48 C GLU A 292 -13.535 5.275 3.250 1.00 0.00 C ATOM 49 O GLU A 292 -12.352 5.289 2.958 1.00 0.00 O ATOM 50 CB GLU A 292 -14.676 6.416 5.172 1.00 0.00 C ATOM 51 CG GLU A 292 -15.699 5.281 5.343 1.00 0.00 C ATOM 52 CD GLU A 292 -16.504 5.496 6.629 1.00 0.00 C ATOM 53 OE1 GLU A 292 -15.963 6.078 7.553 1.00 0.00 O ATOM 54 OE2 GLU A 292 -17.647 5.073 6.665 1.00 0.00 O ATOM 0 H GLU A 292 -16.348 6.414 3.212 1.00 0.00 H new ATOM 0 HA GLU A 292 -13.575 7.385 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -13.797 6.217 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -15.104 7.355 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -16.370 5.251 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -15.186 4.320 5.381 1.00 0.00 H new ATOM 61 N THR A 293 -14.223 4.174 3.233 1.00 0.00 N ATOM 62 CA THR A 293 -13.583 2.880 2.856 1.00 0.00 C ATOM 63 C THR A 293 -13.053 2.917 1.429 1.00 0.00 C ATOM 64 O THR A 293 -11.945 2.503 1.157 1.00 0.00 O ATOM 65 CB THR A 293 -14.631 1.772 2.942 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.235 1.784 4.227 1.00 0.00 O ATOM 67 CG2 THR A 293 -13.981 0.413 2.690 1.00 0.00 C ATOM 0 H THR A 293 -15.214 4.110 3.466 1.00 0.00 H new ATOM 0 HA THR A 293 -12.751 2.700 3.537 1.00 0.00 H new ATOM 0 HB THR A 293 -15.393 1.945 2.182 1.00 0.00 H new ATOM 0 HG1 THR A 293 -14.952 0.991 4.729 1.00 0.00 H new ATOM 0 HG21 THR A 293 -14.737 -0.369 2.754 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.531 0.403 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.210 0.234 3.439 1.00 0.00 H new ATOM 75 N MET A 294 -13.854 3.351 0.509 1.00 0.00 N ATOM 76 CA MET A 294 -13.411 3.345 -0.904 1.00 0.00 C ATOM 77 C MET A 294 -12.140 4.189 -1.057 1.00 0.00 C ATOM 78 O MET A 294 -11.301 3.901 -1.883 1.00 0.00 O ATOM 79 CB MET A 294 -14.546 3.882 -1.791 1.00 0.00 C ATOM 80 CG MET A 294 -14.538 3.169 -3.151 1.00 0.00 C ATOM 81 SD MET A 294 -16.004 3.662 -4.094 1.00 0.00 S ATOM 82 CE MET A 294 -17.168 2.474 -3.369 1.00 0.00 C ATOM 0 H MET A 294 -14.795 3.709 0.672 1.00 0.00 H new ATOM 0 HA MET A 294 -13.176 2.327 -1.216 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.506 3.730 -1.298 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.428 4.956 -1.934 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.634 3.424 -3.703 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.530 2.088 -3.008 1.00 0.00 H new ATOM 0 HE1 MET A 294 -18.136 2.954 -3.226 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.281 1.621 -4.038 1.00 0.00 H new ATOM 0 HE3 MET A 294 -16.787 2.132 -2.407 1.00 0.00 H new ATOM 92 N LYS A 295 -11.970 5.211 -0.261 1.00 0.00 N ATOM 93 CA LYS A 295 -10.723 6.018 -0.380 1.00 0.00 C ATOM 94 C LYS A 295 -9.548 5.098 -0.095 1.00 0.00 C ATOM 95 O LYS A 295 -8.599 5.039 -0.849 1.00 0.00 O ATOM 96 CB LYS A 295 -10.744 7.173 0.622 1.00 0.00 C ATOM 97 CG LYS A 295 -11.695 8.259 0.114 1.00 0.00 C ATOM 98 CD LYS A 295 -11.975 9.277 1.228 1.00 0.00 C ATOM 99 CE LYS A 295 -10.745 10.164 1.461 1.00 0.00 C ATOM 100 NZ LYS A 295 -9.732 9.415 2.256 1.00 0.00 N ATOM 0 H LYS A 295 -12.629 5.518 0.455 1.00 0.00 H new ATOM 0 HA LYS A 295 -10.639 6.443 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.068 6.817 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -9.741 7.580 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -11.257 8.763 -0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -12.629 7.808 -0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -12.831 9.895 0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -12.236 8.756 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -10.319 10.470 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -11.035 11.074 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -9.432 9.992 3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -10.148 8.526 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -8.908 9.204 1.658 1.00 0.00 H new ATOM 114 N ALA A 296 -9.616 4.345 0.964 1.00 0.00 N ATOM 115 CA ALA A 296 -8.508 3.397 1.246 1.00 0.00 C ATOM 116 C ALA A 296 -8.395 2.477 0.034 1.00 0.00 C ATOM 117 O ALA A 296 -7.320 2.162 -0.432 1.00 0.00 O ATOM 118 CB ALA A 296 -8.830 2.579 2.499 1.00 0.00 C ATOM 0 H ALA A 296 -10.381 4.344 1.639 1.00 0.00 H new ATOM 0 HA ALA A 296 -7.572 3.927 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.014 1.886 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -8.955 3.250 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -9.751 2.019 2.341 1.00 0.00 H new ATOM 124 N ARG A 297 -9.521 2.077 -0.497 1.00 0.00 N ATOM 125 CA ARG A 297 -9.527 1.210 -1.703 1.00 0.00 C ATOM 126 C ARG A 297 -8.894 1.988 -2.863 1.00 0.00 C ATOM 127 O ARG A 297 -8.219 1.435 -3.708 1.00 0.00 O ATOM 128 CB ARG A 297 -10.979 0.849 -2.046 1.00 0.00 C ATOM 129 CG ARG A 297 -11.017 -0.397 -2.927 1.00 0.00 C ATOM 130 CD ARG A 297 -12.472 -0.760 -3.223 1.00 0.00 C ATOM 131 NE ARG A 297 -12.509 -1.827 -4.261 1.00 0.00 N ATOM 132 CZ ARG A 297 -13.610 -2.490 -4.480 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.688 -2.215 -3.797 1.00 0.00 N ATOM 134 NH2 ARG A 297 -13.634 -3.430 -5.386 1.00 0.00 N ATOM 0 H ARG A 297 -10.445 2.319 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 297 -8.962 0.296 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -11.544 0.674 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -11.457 1.682 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -10.479 -0.216 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -10.518 -1.226 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -12.966 -1.103 -2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.016 0.119 -3.569 1.00 0.00 H new ATOM 0 HE ARG A 297 -11.671 -2.040 -4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.670 -1.480 -3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -15.548 -2.735 -3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -12.792 -3.644 -5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -14.494 -3.950 -5.559 1.00 0.00 H new ATOM 148 N ARG A 298 -9.101 3.276 -2.891 1.00 0.00 N ATOM 149 CA ARG A 298 -8.511 4.110 -3.973 1.00 0.00 C ATOM 150 C ARG A 298 -7.001 4.160 -3.758 1.00 0.00 C ATOM 151 O ARG A 298 -6.226 3.767 -4.607 1.00 0.00 O ATOM 152 CB ARG A 298 -9.103 5.527 -3.899 1.00 0.00 C ATOM 153 CG ARG A 298 -8.875 6.276 -5.226 1.00 0.00 C ATOM 154 CD ARG A 298 -7.380 6.613 -5.423 1.00 0.00 C ATOM 155 NE ARG A 298 -7.235 7.977 -6.029 1.00 0.00 N ATOM 156 CZ ARG A 298 -7.954 8.353 -7.055 1.00 0.00 C ATOM 157 NH1 ARG A 298 -8.740 7.510 -7.667 1.00 0.00 N ATOM 158 NH2 ARG A 298 -7.850 9.576 -7.499 1.00 0.00 N ATOM 0 H ARG A 298 -9.657 3.788 -2.206 1.00 0.00 H new ATOM 0 HA ARG A 298 -8.734 3.688 -4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -10.170 5.471 -3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -8.642 6.078 -3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -9.226 5.665 -6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -9.462 7.194 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -6.861 6.575 -4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -6.913 5.868 -6.068 1.00 0.00 H new ATOM 0 HE ARG A 298 -6.558 8.628 -5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -8.800 6.543 -7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -9.295 7.818 -8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -7.212 10.230 -7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -8.407 9.877 -8.299 1.00 0.00 H new ATOM 172 N ALA A 299 -6.582 4.625 -2.616 1.00 0.00 N ATOM 173 CA ALA A 299 -5.120 4.684 -2.329 1.00 0.00 C ATOM 174 C ALA A 299 -4.521 3.297 -2.557 1.00 0.00 C ATOM 175 O ALA A 299 -3.341 3.146 -2.803 1.00 0.00 O ATOM 176 CB ALA A 299 -4.901 5.095 -0.871 1.00 0.00 C ATOM 0 H ALA A 299 -7.186 4.967 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 299 -4.642 5.412 -2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -3.832 5.138 -0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -5.344 6.076 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.371 4.364 -0.213 1.00 0.00 H new ATOM 182 N TRP A 300 -5.339 2.284 -2.484 1.00 0.00 N ATOM 183 CA TRP A 300 -4.849 0.895 -2.698 1.00 0.00 C ATOM 184 C TRP A 300 -4.807 0.601 -4.197 1.00 0.00 C ATOM 185 O TRP A 300 -4.155 -0.323 -4.638 1.00 0.00 O ATOM 186 CB TRP A 300 -5.809 -0.079 -2.025 1.00 0.00 C ATOM 187 CG TRP A 300 -5.807 0.040 -0.515 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.721 -0.589 0.263 1.00 0.00 C ATOM 189 CD2 TRP A 300 -4.923 0.778 0.424 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.459 -0.327 1.587 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.374 0.501 1.746 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.792 1.632 0.297 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.746 1.031 2.869 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.167 2.162 1.438 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.642 1.860 2.717 1.00 0.00 C ATOM 0 H TRP A 300 -6.336 2.361 -2.283 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.851 0.786 -2.274 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.818 0.098 -2.397 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.540 -1.098 -2.304 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.532 -1.203 -0.101 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -7.006 -0.703 2.361 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.411 1.875 -0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -5.116 0.798 3.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.310 2.810 1.325 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.151 2.271 3.587 1.00 0.00 H new ATOM 206 N THR A 301 -5.477 1.391 -4.990 1.00 0.00 N ATOM 207 CA THR A 301 -5.449 1.161 -6.463 1.00 0.00 C ATOM 208 C THR A 301 -4.223 1.859 -7.051 1.00 0.00 C ATOM 209 O THR A 301 -3.456 1.283 -7.798 1.00 0.00 O ATOM 210 CB THR A 301 -6.694 1.760 -7.100 1.00 0.00 C ATOM 211 OG1 THR A 301 -7.854 1.211 -6.490 1.00 0.00 O ATOM 212 CG2 THR A 301 -6.698 1.452 -8.598 1.00 0.00 C ATOM 0 H THR A 301 -6.041 2.184 -4.684 1.00 0.00 H new ATOM 0 HA THR A 301 -5.412 0.090 -6.660 1.00 0.00 H new ATOM 0 HB THR A 301 -6.693 2.840 -6.955 1.00 0.00 H new ATOM 0 HG1 THR A 301 -7.888 1.482 -5.549 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.590 1.881 -9.055 1.00 0.00 H new ATOM 0 HG22 THR A 301 -5.810 1.883 -9.060 1.00 0.00 H new ATOM 0 HG23 THR A 301 -6.697 0.372 -8.747 1.00 0.00 H new ATOM 220 N ASP A 302 -4.050 3.111 -6.721 1.00 0.00 N ATOM 221 CA ASP A 302 -2.893 3.885 -7.251 1.00 0.00 C ATOM 222 C ASP A 302 -1.587 3.168 -6.910 1.00 0.00 C ATOM 223 O ASP A 302 -0.707 3.035 -7.739 1.00 0.00 O ATOM 224 CB ASP A 302 -2.896 5.281 -6.618 1.00 0.00 C ATOM 225 CG ASP A 302 -2.030 6.231 -7.449 1.00 0.00 C ATOM 226 OD1 ASP A 302 -2.446 6.576 -8.542 1.00 0.00 O ATOM 227 OD2 ASP A 302 -0.967 6.599 -6.976 1.00 0.00 O ATOM 0 H ASP A 302 -4.668 3.634 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 302 -2.976 3.970 -8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -3.916 5.661 -6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -2.517 5.228 -5.597 1.00 0.00 H new ATOM 232 N VAL A 303 -1.447 2.711 -5.697 1.00 0.00 N ATOM 233 CA VAL A 303 -0.195 2.014 -5.309 1.00 0.00 C ATOM 234 C VAL A 303 -0.161 0.624 -5.947 1.00 0.00 C ATOM 235 O VAL A 303 0.891 0.101 -6.254 1.00 0.00 O ATOM 236 CB VAL A 303 -0.140 1.890 -3.786 1.00 0.00 C ATOM 237 CG1 VAL A 303 -0.185 3.288 -3.163 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.335 1.065 -3.295 1.00 0.00 C ATOM 0 H VAL A 303 -2.147 2.791 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 303 0.666 2.584 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 303 0.784 1.392 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 303 -0.146 3.204 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 303 0.668 3.870 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -1.109 3.787 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.295 0.977 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.262 1.559 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.299 0.071 -3.741 1.00 0.00 H new ATOM 248 N ILE A 304 -1.298 0.021 -6.168 1.00 0.00 N ATOM 249 CA ILE A 304 -1.298 -1.328 -6.803 1.00 0.00 C ATOM 250 C ILE A 304 -0.574 -1.218 -8.153 1.00 0.00 C ATOM 251 O ILE A 304 0.043 -2.154 -8.619 1.00 0.00 O ATOM 252 CB ILE A 304 -2.765 -1.801 -6.980 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.168 -2.715 -5.805 1.00 0.00 C ATOM 254 CG2 ILE A 304 -2.959 -2.568 -8.294 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.693 -2.931 -5.773 1.00 0.00 C ATOM 0 H ILE A 304 -2.217 0.399 -5.939 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.781 -2.061 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.395 -0.912 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.663 -3.676 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -2.840 -2.271 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -3.999 -2.883 -8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.704 -1.922 -9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.313 -3.446 -8.302 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -4.951 -3.579 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.194 -1.970 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -5.014 -3.397 -6.705 1.00 0.00 H new ATOM 267 N GLN A 305 -0.649 -0.077 -8.777 1.00 0.00 N ATOM 268 CA GLN A 305 0.022 0.117 -10.085 1.00 0.00 C ATOM 269 C GLN A 305 1.517 0.392 -9.846 1.00 0.00 C ATOM 270 O GLN A 305 2.368 -0.053 -10.591 1.00 0.00 O ATOM 271 CB GLN A 305 -0.673 1.298 -10.794 1.00 0.00 C ATOM 272 CG GLN A 305 0.285 2.041 -11.727 1.00 0.00 C ATOM 273 CD GLN A 305 0.987 1.044 -12.649 1.00 0.00 C ATOM 274 OE1 GLN A 305 0.513 -0.058 -12.846 1.00 0.00 O ATOM 275 NE2 GLN A 305 2.104 1.386 -13.231 1.00 0.00 N ATOM 0 H GLN A 305 -1.154 0.738 -8.429 1.00 0.00 H new ATOM 0 HA GLN A 305 -0.053 -0.769 -10.715 1.00 0.00 H new ATOM 0 HB2 GLN A 305 -1.525 0.929 -11.366 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.065 1.990 -10.049 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -0.264 2.773 -12.319 1.00 0.00 H new ATOM 0 HG3 GLN A 305 1.022 2.592 -11.143 1.00 0.00 H new ATOM 0 HE21 GLN A 305 2.503 2.310 -13.066 1.00 0.00 H new ATOM 0 HE22 GLN A 305 2.578 0.729 -13.850 1.00 0.00 H new ATOM 284 N THR A 306 1.836 1.127 -8.814 1.00 0.00 N ATOM 285 CA THR A 306 3.268 1.443 -8.525 1.00 0.00 C ATOM 286 C THR A 306 3.981 0.205 -7.983 1.00 0.00 C ATOM 287 O THR A 306 4.984 -0.223 -8.508 1.00 0.00 O ATOM 288 CB THR A 306 3.338 2.547 -7.469 1.00 0.00 C ATOM 289 OG1 THR A 306 2.517 3.635 -7.870 1.00 0.00 O ATOM 290 CG2 THR A 306 4.783 3.028 -7.304 1.00 0.00 C ATOM 0 H THR A 306 1.165 1.524 -8.156 1.00 0.00 H new ATOM 0 HA THR A 306 3.750 1.767 -9.447 1.00 0.00 H new ATOM 0 HB THR A 306 2.986 2.153 -6.516 1.00 0.00 H new ATOM 0 HG1 THR A 306 2.559 4.343 -7.194 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.821 3.814 -6.550 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.411 2.194 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 306 5.147 3.419 -8.254 1.00 0.00 H new ATOM 298 N LEU A 307 3.475 -0.360 -6.925 1.00 0.00 N ATOM 299 CA LEU A 307 4.123 -1.562 -6.322 1.00 0.00 C ATOM 300 C LEU A 307 4.506 -2.547 -7.438 1.00 0.00 C ATOM 301 O LEU A 307 5.589 -3.099 -7.453 1.00 0.00 O ATOM 302 CB LEU A 307 3.113 -2.234 -5.375 1.00 0.00 C ATOM 303 CG LEU A 307 3.155 -1.657 -3.944 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.317 -2.265 -3.153 1.00 0.00 C ATOM 305 CD2 LEU A 307 3.289 -0.128 -3.966 1.00 0.00 C ATOM 0 H LEU A 307 2.633 -0.040 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 307 5.019 -1.272 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.108 -2.115 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.316 -3.304 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 307 2.215 -1.916 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.331 -1.846 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.191 -3.346 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.258 -2.036 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 307 3.316 0.250 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 307 4.210 0.149 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 307 2.437 0.304 -4.490 1.00 0.00 H new ATOM 317 N ARG A 308 3.618 -2.770 -8.365 1.00 0.00 N ATOM 318 CA ARG A 308 3.905 -3.718 -9.480 1.00 0.00 C ATOM 319 C ARG A 308 4.969 -3.116 -10.417 1.00 0.00 C ATOM 320 O ARG A 308 5.476 -3.777 -11.297 1.00 0.00 O ATOM 321 CB ARG A 308 2.590 -3.977 -10.251 1.00 0.00 C ATOM 322 CG ARG A 308 2.519 -5.430 -10.751 1.00 0.00 C ATOM 323 CD ARG A 308 3.602 -5.682 -11.805 1.00 0.00 C ATOM 324 NE ARG A 308 3.202 -6.829 -12.665 1.00 0.00 N ATOM 325 CZ ARG A 308 3.823 -7.044 -13.791 1.00 0.00 C ATOM 326 NH1 ARG A 308 4.799 -6.257 -14.157 1.00 0.00 N ATOM 327 NH2 ARG A 308 3.473 -8.045 -14.552 1.00 0.00 N ATOM 0 H ARG A 308 2.697 -2.333 -8.399 1.00 0.00 H new ATOM 0 HA ARG A 308 4.291 -4.659 -9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 308 1.738 -3.770 -9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 308 2.520 -3.294 -11.098 1.00 0.00 H new ATOM 0 HG2 ARG A 308 2.649 -6.117 -9.914 1.00 0.00 H new ATOM 0 HG3 ARG A 308 1.535 -5.628 -11.176 1.00 0.00 H new ATOM 0 HD2 ARG A 308 3.746 -4.790 -12.414 1.00 0.00 H new ATOM 0 HD3 ARG A 308 4.555 -5.893 -11.319 1.00 0.00 H new ATOM 0 HE ARG A 308 2.443 -7.446 -12.374 1.00 0.00 H new ATOM 0 HH11 ARG A 308 5.074 -5.476 -13.562 1.00 0.00 H new ATOM 0 HH12 ARG A 308 5.286 -6.424 -15.038 1.00 0.00 H new ATOM 0 HH21 ARG A 308 2.712 -8.661 -14.266 1.00 0.00 H new ATOM 0 HH22 ARG A 308 3.960 -8.211 -15.432 1.00 0.00 H new ATOM 341 N GLU A 309 5.299 -1.862 -10.255 1.00 0.00 N ATOM 342 CA GLU A 309 6.303 -1.249 -11.171 1.00 0.00 C ATOM 343 C GLU A 309 7.715 -1.764 -10.854 1.00 0.00 C ATOM 344 O GLU A 309 8.591 -1.716 -11.696 1.00 0.00 O ATOM 345 CB GLU A 309 6.239 0.294 -11.053 1.00 0.00 C ATOM 346 CG GLU A 309 7.235 0.822 -10.006 1.00 0.00 C ATOM 347 CD GLU A 309 6.916 2.284 -9.688 1.00 0.00 C ATOM 348 OE1 GLU A 309 6.063 2.843 -10.358 1.00 0.00 O ATOM 349 OE2 GLU A 309 7.531 2.820 -8.782 1.00 0.00 O ATOM 0 H GLU A 309 4.922 -1.243 -9.537 1.00 0.00 H new ATOM 0 HA GLU A 309 6.069 -1.535 -12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 309 6.456 0.743 -12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 309 5.228 0.597 -10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 309 7.178 0.221 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 309 8.254 0.735 -10.382 1.00 0.00 H new ATOM 356 N HIS A 310 7.952 -2.256 -9.657 1.00 0.00 N ATOM 357 CA HIS A 310 9.319 -2.773 -9.310 1.00 0.00 C ATOM 358 C HIS A 310 9.213 -4.157 -8.647 1.00 0.00 C ATOM 359 O HIS A 310 8.315 -4.923 -8.936 1.00 0.00 O ATOM 360 CB HIS A 310 10.039 -1.750 -8.404 1.00 0.00 C ATOM 361 CG HIS A 310 9.715 -1.959 -6.947 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.619 -2.552 -6.081 1.00 0.00 N ATOM 363 CD2 HIS A 310 8.624 -1.622 -6.181 1.00 0.00 C ATOM 364 CE1 HIS A 310 10.067 -2.552 -4.857 1.00 0.00 C ATOM 365 NE2 HIS A 310 8.849 -1.998 -4.860 1.00 0.00 N ATOM 0 H HIS A 310 7.262 -2.322 -8.909 1.00 0.00 H new ATOM 0 HA HIS A 310 9.910 -2.896 -10.217 1.00 0.00 H new ATOM 0 HB2 HIS A 310 11.116 -1.831 -8.551 1.00 0.00 H new ATOM 0 HB3 HIS A 310 9.752 -0.740 -8.698 1.00 0.00 H new ATOM 0 HD2 HIS A 310 7.730 -1.140 -6.548 1.00 0.00 H new ATOM 0 HE1 HIS A 310 10.548 -2.951 -3.976 1.00 0.00 H new ATOM 0 HE2 HIS A 310 8.221 -1.877 -4.065 1.00 0.00 H new ATOM 373 N LYS A 311 10.139 -4.498 -7.788 1.00 0.00 N ATOM 374 CA LYS A 311 10.106 -5.849 -7.140 1.00 0.00 C ATOM 375 C LYS A 311 9.184 -5.859 -5.920 1.00 0.00 C ATOM 376 O LYS A 311 9.628 -6.034 -4.802 1.00 0.00 O ATOM 377 CB LYS A 311 11.523 -6.238 -6.710 1.00 0.00 C ATOM 378 CG LYS A 311 12.514 -5.875 -7.821 1.00 0.00 C ATOM 379 CD LYS A 311 13.845 -6.593 -7.580 1.00 0.00 C ATOM 380 CE LYS A 311 14.827 -6.240 -8.698 1.00 0.00 C ATOM 381 NZ LYS A 311 15.967 -7.200 -8.677 1.00 0.00 N ATOM 0 H LYS A 311 10.917 -3.902 -7.506 1.00 0.00 H new ATOM 0 HA LYS A 311 9.720 -6.567 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.789 -5.721 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.570 -7.307 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 311 12.107 -6.159 -8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 311 12.670 -4.797 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 311 14.258 -6.301 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 311 13.688 -7.671 -7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 311 14.324 -6.277 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 311 15.193 -5.221 -8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 16.636 -6.961 -9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 16.452 -7.143 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 15.610 -8.166 -8.821 1.00 0.00 H new ATOM 395 N CYS A 312 7.904 -5.704 -6.123 1.00 0.00 N ATOM 396 CA CYS A 312 6.959 -5.737 -4.970 1.00 0.00 C ATOM 397 C CYS A 312 5.547 -6.047 -5.477 1.00 0.00 C ATOM 398 O CYS A 312 4.852 -5.191 -5.989 1.00 0.00 O ATOM 399 CB CYS A 312 6.965 -4.394 -4.244 1.00 0.00 C ATOM 400 SG CYS A 312 8.406 -4.299 -3.154 1.00 0.00 S ATOM 0 H CYS A 312 7.472 -5.556 -7.035 1.00 0.00 H new ATOM 0 HA CYS A 312 7.274 -6.513 -4.273 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.989 -3.579 -4.967 1.00 0.00 H new ATOM 0 HB3 CYS A 312 6.049 -4.279 -3.664 1.00 0.00 H new ATOM 0 HG CYS A 312 8.258 -5.130 -2.165 1.00 0.00 H new ATOM 406 N GLN A 313 5.129 -7.271 -5.339 1.00 0.00 N ATOM 407 CA GLN A 313 3.770 -7.673 -5.812 1.00 0.00 C ATOM 408 C GLN A 313 2.690 -7.193 -4.812 1.00 0.00 C ATOM 409 O GLN A 313 2.677 -7.636 -3.683 1.00 0.00 O ATOM 410 CB GLN A 313 3.711 -9.201 -5.912 1.00 0.00 C ATOM 411 CG GLN A 313 4.912 -9.716 -6.713 1.00 0.00 C ATOM 412 CD GLN A 313 4.830 -9.200 -8.150 1.00 0.00 C ATOM 413 OE1 GLN A 313 3.938 -9.567 -8.890 1.00 0.00 O ATOM 414 NE2 GLN A 313 5.730 -8.359 -8.582 1.00 0.00 N ATOM 0 H GLN A 313 5.674 -8.021 -4.914 1.00 0.00 H new ATOM 0 HA GLN A 313 3.582 -7.220 -6.785 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.712 -9.640 -4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.783 -9.507 -6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 313 5.841 -9.384 -6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 313 4.925 -10.806 -6.708 1.00 0.00 H new ATOM 0 HE21 GLN A 313 6.479 -8.050 -7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 313 5.684 -8.010 -9.540 1.00 0.00 H new ATOM 423 N PRO A 314 1.784 -6.303 -5.207 1.00 0.00 N ATOM 424 CA PRO A 314 0.698 -5.792 -4.304 1.00 0.00 C ATOM 425 C PRO A 314 -0.597 -6.615 -4.369 1.00 0.00 C ATOM 426 O PRO A 314 -0.925 -7.198 -5.382 1.00 0.00 O ATOM 427 CB PRO A 314 0.434 -4.409 -4.877 1.00 0.00 C ATOM 428 CG PRO A 314 0.577 -4.609 -6.353 1.00 0.00 C ATOM 429 CD PRO A 314 1.688 -5.659 -6.536 1.00 0.00 C ATOM 0 HA PRO A 314 0.999 -5.827 -3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.561 -4.049 -4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.147 -3.676 -4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.360 -4.952 -6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 314 0.838 -3.674 -6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.434 -6.380 -7.313 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.632 -5.197 -6.826 1.00 0.00 H new ATOM 437 N ARG A 315 -1.346 -6.635 -3.294 1.00 0.00 N ATOM 438 CA ARG A 315 -2.643 -7.385 -3.278 1.00 0.00 C ATOM 439 C ARG A 315 -3.619 -6.652 -2.343 1.00 0.00 C ATOM 440 O ARG A 315 -3.300 -6.388 -1.200 1.00 0.00 O ATOM 441 CB ARG A 315 -2.438 -8.836 -2.766 1.00 0.00 C ATOM 442 CG ARG A 315 -0.984 -9.289 -2.963 1.00 0.00 C ATOM 443 CD ARG A 315 -0.035 -8.536 -2.001 1.00 0.00 C ATOM 444 NE ARG A 315 0.676 -9.531 -1.151 1.00 0.00 N ATOM 445 CZ ARG A 315 1.737 -9.178 -0.484 1.00 0.00 C ATOM 446 NH1 ARG A 315 2.188 -7.960 -0.576 1.00 0.00 N ATOM 447 NH2 ARG A 315 2.350 -10.046 0.274 1.00 0.00 N ATOM 0 H ARG A 315 -1.114 -6.161 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 315 -3.040 -7.432 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -2.700 -8.893 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -3.108 -9.511 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -0.907 -10.362 -2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -0.680 -9.110 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.683 -7.942 -2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 315 -0.601 -7.843 -1.378 1.00 0.00 H new ATOM 0 HE ARG A 315 0.332 -10.489 -1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 315 1.710 -7.283 -1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 315 3.019 -7.683 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 315 1.998 -11.001 0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 315 3.181 -9.770 0.797 1.00 0.00 H new ATOM 461 N LEU A 316 -4.804 -6.329 -2.799 1.00 0.00 N ATOM 462 CA LEU A 316 -5.772 -5.637 -1.910 1.00 0.00 C ATOM 463 C LEU A 316 -6.569 -6.695 -1.143 1.00 0.00 C ATOM 464 O LEU A 316 -7.275 -7.501 -1.717 1.00 0.00 O ATOM 465 CB LEU A 316 -6.714 -4.780 -2.762 1.00 0.00 C ATOM 466 CG LEU A 316 -7.285 -3.625 -1.931 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.110 -2.704 -2.832 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.176 -4.183 -0.819 1.00 0.00 C ATOM 0 H LEU A 316 -5.137 -6.516 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.249 -4.991 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.177 -4.385 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.527 -5.395 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.465 -3.060 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.515 -1.883 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -7.475 -2.303 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -8.929 -3.269 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.581 -3.360 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -8.995 -4.751 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.588 -4.836 -0.174 1.00 0.00 H new ATOM 480 N LEU A 317 -6.457 -6.687 0.150 1.00 0.00 N ATOM 481 CA LEU A 317 -7.197 -7.683 0.991 1.00 0.00 C ATOM 482 C LEU A 317 -8.484 -7.021 1.485 1.00 0.00 C ATOM 483 O LEU A 317 -8.992 -6.148 0.824 1.00 0.00 O ATOM 484 CB LEU A 317 -6.328 -8.095 2.190 1.00 0.00 C ATOM 485 CG LEU A 317 -5.079 -8.870 1.728 1.00 0.00 C ATOM 486 CD1 LEU A 317 -5.489 -10.160 0.994 1.00 0.00 C ATOM 487 CD2 LEU A 317 -4.215 -7.993 0.803 1.00 0.00 C ATOM 0 H LEU A 317 -5.880 -6.029 0.674 1.00 0.00 H new ATOM 0 HA LEU A 317 -7.431 -8.574 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -6.025 -7.208 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.912 -8.713 2.871 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.495 -9.136 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -4.596 -10.696 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -6.070 -10.792 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -6.092 -9.907 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -3.337 -8.555 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -4.797 -7.704 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -3.899 -7.099 1.340 1.00 0.00 H new ATOM 499 N TYR A 318 -8.993 -7.435 2.637 1.00 0.00 N ATOM 500 CA TYR A 318 -10.258 -6.857 3.242 1.00 0.00 C ATOM 501 C TYR A 318 -10.677 -5.549 2.528 1.00 0.00 C ATOM 502 O TYR A 318 -9.827 -4.789 2.144 1.00 0.00 O ATOM 503 CB TYR A 318 -9.965 -6.564 4.730 1.00 0.00 C ATOM 504 CG TYR A 318 -11.200 -6.771 5.578 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.583 -8.066 5.944 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.958 -5.670 5.995 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.726 -8.261 6.728 1.00 0.00 C ATOM 508 CE2 TYR A 318 -13.101 -5.865 6.779 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.486 -7.160 7.146 1.00 0.00 C ATOM 510 OH TYR A 318 -14.613 -7.354 7.917 1.00 0.00 O ATOM 0 H TYR A 318 -8.570 -8.173 3.200 1.00 0.00 H new ATOM 0 HA TYR A 318 -11.077 -7.568 3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -9.165 -7.215 5.082 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.612 -5.538 4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.997 -8.914 5.622 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.661 -4.671 5.712 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -13.022 -9.260 7.011 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.686 -5.016 7.101 1.00 0.00 H new ATOM 0 HH TYR A 318 -15.023 -6.488 8.121 1.00 0.00 H new ATOM 520 N PRO A 319 -11.963 -5.291 2.345 1.00 0.00 N ATOM 521 CA PRO A 319 -12.467 -4.069 1.655 1.00 0.00 C ATOM 522 C PRO A 319 -11.492 -2.882 1.656 1.00 0.00 C ATOM 523 O PRO A 319 -11.541 -2.038 0.784 1.00 0.00 O ATOM 524 CB PRO A 319 -13.730 -3.766 2.443 1.00 0.00 C ATOM 525 CG PRO A 319 -14.301 -5.122 2.754 1.00 0.00 C ATOM 526 CD PRO A 319 -13.111 -6.114 2.773 1.00 0.00 C ATOM 0 HA PRO A 319 -12.620 -4.235 0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.508 -3.208 3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.428 -3.163 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.814 -5.114 3.716 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -15.036 -5.414 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.955 -6.533 3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.277 -6.952 2.096 1.00 0.00 H new ATOM 534 N ALA A 320 -10.592 -2.816 2.599 1.00 0.00 N ATOM 535 CA ALA A 320 -9.609 -1.692 2.609 1.00 0.00 C ATOM 536 C ALA A 320 -8.276 -2.138 3.233 1.00 0.00 C ATOM 537 O ALA A 320 -7.594 -1.342 3.849 1.00 0.00 O ATOM 538 CB ALA A 320 -10.182 -0.525 3.414 1.00 0.00 C ATOM 0 H ALA A 320 -10.494 -3.488 3.360 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.424 -1.381 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.466 0.297 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.113 -0.190 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.375 -0.849 4.437 1.00 0.00 H new ATOM 544 N LYS A 321 -7.876 -3.388 3.070 1.00 0.00 N ATOM 545 CA LYS A 321 -6.560 -3.840 3.652 1.00 0.00 C ATOM 546 C LYS A 321 -5.556 -4.013 2.509 1.00 0.00 C ATOM 547 O LYS A 321 -5.823 -4.694 1.539 1.00 0.00 O ATOM 548 CB LYS A 321 -6.744 -5.167 4.413 1.00 0.00 C ATOM 549 CG LYS A 321 -7.237 -4.889 5.848 1.00 0.00 C ATOM 550 CD LYS A 321 -6.042 -4.555 6.776 1.00 0.00 C ATOM 551 CE LYS A 321 -5.485 -5.838 7.408 1.00 0.00 C ATOM 552 NZ LYS A 321 -4.082 -5.604 7.858 1.00 0.00 N ATOM 0 H LYS A 321 -8.397 -4.105 2.566 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.189 -3.096 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.461 -5.799 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.801 -5.712 4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -7.944 -4.059 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.770 -5.759 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -5.260 -4.052 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -6.361 -3.865 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -6.104 -6.138 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -5.515 -6.654 6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -3.487 -6.407 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -3.719 -4.732 7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -4.061 -5.510 8.894 1.00 0.00 H new ATOM 566 N LEU A 322 -4.417 -3.366 2.600 1.00 0.00 N ATOM 567 CA LEU A 322 -3.396 -3.440 1.501 1.00 0.00 C ATOM 568 C LEU A 322 -2.106 -4.083 2.013 1.00 0.00 C ATOM 569 O LEU A 322 -1.450 -3.579 2.903 1.00 0.00 O ATOM 570 CB LEU A 322 -3.169 -1.987 1.037 1.00 0.00 C ATOM 571 CG LEU A 322 -2.068 -1.815 -0.045 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.695 -1.584 0.608 1.00 0.00 C ATOM 573 CD2 LEU A 322 -2.006 -3.021 -0.994 1.00 0.00 C ATOM 0 H LEU A 322 -4.148 -2.785 3.394 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.733 -4.060 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -4.108 -1.594 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.906 -1.380 1.903 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.332 -0.938 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 322 0.062 -1.466 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.730 -0.683 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -0.442 -2.439 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -1.223 -2.861 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -1.785 -3.923 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -2.965 -3.137 -1.498 1.00 0.00 H new ATOM 585 N SER A 323 -1.732 -5.199 1.428 1.00 0.00 N ATOM 586 CA SER A 323 -0.476 -5.904 1.832 1.00 0.00 C ATOM 587 C SER A 323 0.600 -5.667 0.771 1.00 0.00 C ATOM 588 O SER A 323 0.315 -5.574 -0.408 1.00 0.00 O ATOM 589 CB SER A 323 -0.751 -7.403 1.951 1.00 0.00 C ATOM 590 OG SER A 323 0.353 -8.033 2.588 1.00 0.00 O ATOM 0 H SER A 323 -2.252 -5.655 0.678 1.00 0.00 H new ATOM 0 HA SER A 323 -0.133 -5.520 2.793 1.00 0.00 H new ATOM 0 HB2 SER A 323 -1.662 -7.573 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 323 -0.911 -7.835 0.963 1.00 0.00 H new ATOM 0 HG SER A 323 0.879 -7.362 3.071 1.00 0.00 H new ATOM 596 N ILE A 324 1.838 -5.560 1.187 1.00 0.00 N ATOM 597 CA ILE A 324 2.951 -5.319 0.219 1.00 0.00 C ATOM 598 C ILE A 324 4.166 -6.170 0.595 1.00 0.00 C ATOM 599 O ILE A 324 4.429 -6.434 1.752 1.00 0.00 O ATOM 600 CB ILE A 324 3.341 -3.835 0.248 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.462 -3.317 1.719 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.280 -3.036 -0.513 1.00 0.00 C ATOM 603 CD1 ILE A 324 4.889 -2.823 1.990 1.00 0.00 C ATOM 0 H ILE A 324 2.126 -5.630 2.163 1.00 0.00 H new ATOM 0 HA ILE A 324 2.618 -5.593 -0.782 1.00 0.00 H new ATOM 0 HB ILE A 324 4.314 -3.708 -0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 324 2.751 -2.508 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 324 3.207 -4.115 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.543 -1.978 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.231 -3.386 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.309 -3.174 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 324 4.961 -2.465 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 324 5.592 -3.643 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 324 5.129 -2.010 1.305 1.00 0.00 H new ATOM 615 N THR A 325 4.897 -6.618 -0.395 1.00 0.00 N ATOM 616 CA THR A 325 6.093 -7.479 -0.146 1.00 0.00 C ATOM 617 C THR A 325 7.381 -6.641 -0.211 1.00 0.00 C ATOM 618 O THR A 325 7.592 -5.875 -1.129 1.00 0.00 O ATOM 619 CB THR A 325 6.128 -8.579 -1.224 1.00 0.00 C ATOM 620 OG1 THR A 325 5.126 -9.545 -0.933 1.00 0.00 O ATOM 621 CG2 THR A 325 7.499 -9.268 -1.248 1.00 0.00 C ATOM 0 H THR A 325 4.713 -6.421 -1.379 1.00 0.00 H new ATOM 0 HA THR A 325 6.027 -7.924 0.847 1.00 0.00 H new ATOM 0 HB THR A 325 5.946 -8.125 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 325 5.141 -10.248 -1.616 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.504 -10.042 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.272 -8.532 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.696 -9.720 -0.276 1.00 0.00 H new ATOM 629 N ILE A 326 8.255 -6.804 0.756 1.00 0.00 N ATOM 630 CA ILE A 326 9.550 -6.048 0.762 1.00 0.00 C ATOM 631 C ILE A 326 10.657 -6.992 1.234 1.00 0.00 C ATOM 632 O ILE A 326 10.570 -7.581 2.293 1.00 0.00 O ATOM 633 CB ILE A 326 9.477 -4.861 1.729 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.427 -3.861 1.251 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.838 -4.162 1.782 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.158 -2.850 2.364 1.00 0.00 C ATOM 0 H ILE A 326 8.125 -7.434 1.548 1.00 0.00 H new ATOM 0 HA ILE A 326 9.751 -5.675 -0.242 1.00 0.00 H new ATOM 0 HB ILE A 326 9.206 -5.228 2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 326 8.776 -3.349 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.507 -4.380 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.787 -3.318 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.595 -4.866 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 326 11.102 -3.804 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.409 -2.132 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 326 7.792 -3.371 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 326 9.081 -2.324 2.609 1.00 0.00 H new ATOM 648 N ASP A 327 11.699 -7.141 0.458 1.00 0.00 N ATOM 649 CA ASP A 327 12.812 -8.051 0.859 1.00 0.00 C ATOM 650 C ASP A 327 12.240 -9.367 1.391 1.00 0.00 C ATOM 651 O ASP A 327 12.875 -10.074 2.148 1.00 0.00 O ATOM 652 CB ASP A 327 13.655 -7.385 1.948 1.00 0.00 C ATOM 653 CG ASP A 327 14.970 -8.151 2.117 1.00 0.00 C ATOM 654 OD1 ASP A 327 15.791 -8.085 1.218 1.00 0.00 O ATOM 655 OD2 ASP A 327 15.133 -8.789 3.144 1.00 0.00 O ATOM 0 H ASP A 327 11.827 -6.671 -0.438 1.00 0.00 H new ATOM 0 HA ASP A 327 13.437 -8.255 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 327 13.858 -6.348 1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 327 13.106 -7.371 2.890 1.00 0.00 H new ATOM 660 N GLY A 328 11.045 -9.703 0.989 1.00 0.00 N ATOM 661 CA GLY A 328 10.416 -10.978 1.455 1.00 0.00 C ATOM 662 C GLY A 328 9.511 -10.716 2.664 1.00 0.00 C ATOM 663 O GLY A 328 8.518 -11.388 2.858 1.00 0.00 O ATOM 0 H GLY A 328 10.472 -9.148 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.834 -11.421 0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 328 11.191 -11.697 1.721 1.00 0.00 H new ATOM 667 N GLU A 329 9.844 -9.757 3.489 1.00 0.00 N ATOM 668 CA GLU A 329 8.994 -9.484 4.685 1.00 0.00 C ATOM 669 C GLU A 329 7.665 -8.865 4.248 1.00 0.00 C ATOM 670 O GLU A 329 7.618 -7.839 3.599 1.00 0.00 O ATOM 671 CB GLU A 329 9.730 -8.531 5.643 1.00 0.00 C ATOM 672 CG GLU A 329 10.595 -9.343 6.610 1.00 0.00 C ATOM 673 CD GLU A 329 11.680 -10.084 5.827 1.00 0.00 C ATOM 674 OE1 GLU A 329 11.408 -11.183 5.371 1.00 0.00 O ATOM 675 OE2 GLU A 329 12.765 -9.541 5.697 1.00 0.00 O ATOM 0 H GLU A 329 10.661 -9.156 3.387 1.00 0.00 H new ATOM 0 HA GLU A 329 8.794 -10.422 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 329 10.352 -7.838 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 329 9.010 -7.931 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 329 11.051 -8.683 7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 329 9.977 -10.055 7.157 1.00 0.00 H new ATOM 682 N THR A 330 6.584 -9.500 4.609 1.00 0.00 N ATOM 683 CA THR A 330 5.230 -8.984 4.234 1.00 0.00 C ATOM 684 C THR A 330 4.628 -8.171 5.386 1.00 0.00 C ATOM 685 O THR A 330 4.609 -8.605 6.521 1.00 0.00 O ATOM 686 CB THR A 330 4.312 -10.166 3.916 1.00 0.00 C ATOM 687 OG1 THR A 330 3.067 -9.678 3.431 1.00 0.00 O ATOM 688 CG2 THR A 330 4.078 -10.996 5.180 1.00 0.00 C ATOM 0 H THR A 330 6.577 -10.363 5.153 1.00 0.00 H new ATOM 0 HA THR A 330 5.327 -8.339 3.361 1.00 0.00 H new ATOM 0 HB THR A 330 4.781 -10.793 3.158 1.00 0.00 H new ATOM 0 HG1 THR A 330 2.477 -10.433 3.225 1.00 0.00 H new ATOM 0 HG21 THR A 330 3.424 -11.836 4.948 1.00 0.00 H new ATOM 0 HG22 THR A 330 5.032 -11.371 5.551 1.00 0.00 H new ATOM 0 HG23 THR A 330 3.611 -10.373 5.943 1.00 0.00 H new ATOM 696 N LYS A 331 4.102 -7.006 5.092 1.00 0.00 N ATOM 697 CA LYS A 331 3.457 -6.159 6.145 1.00 0.00 C ATOM 698 C LYS A 331 2.120 -5.672 5.575 1.00 0.00 C ATOM 699 O LYS A 331 1.815 -5.928 4.427 1.00 0.00 O ATOM 700 CB LYS A 331 4.364 -4.962 6.490 1.00 0.00 C ATOM 701 CG LYS A 331 4.093 -4.490 7.939 1.00 0.00 C ATOM 702 CD LYS A 331 4.341 -2.984 8.068 1.00 0.00 C ATOM 703 CE LYS A 331 5.832 -2.697 7.887 1.00 0.00 C ATOM 704 NZ LYS A 331 6.601 -3.371 8.972 1.00 0.00 N ATOM 0 H LYS A 331 4.092 -6.601 4.156 1.00 0.00 H new ATOM 0 HA LYS A 331 3.299 -6.728 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.411 -5.246 6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.181 -4.144 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 331 3.064 -4.720 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 331 4.738 -5.031 8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 331 3.762 -2.444 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 331 4.008 -2.632 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 331 6.167 -3.054 6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 331 6.012 -1.622 7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 7.493 -2.861 9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 6.039 -3.371 9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 6.808 -4.351 8.693 1.00 0.00 H new ATOM 718 N VAL A 332 1.304 -4.990 6.348 1.00 0.00 N ATOM 719 CA VAL A 332 -0.012 -4.529 5.800 1.00 0.00 C ATOM 720 C VAL A 332 -0.403 -3.169 6.379 1.00 0.00 C ATOM 721 O VAL A 332 0.144 -2.710 7.363 1.00 0.00 O ATOM 722 CB VAL A 332 -1.089 -5.568 6.136 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.288 -5.394 5.206 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.531 -6.975 5.935 1.00 0.00 C ATOM 0 H VAL A 332 1.489 -4.737 7.319 1.00 0.00 H new ATOM 0 HA VAL A 332 0.077 -4.422 4.719 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.394 -5.427 7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -3.049 -6.135 5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.703 -4.394 5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.969 -5.529 4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -1.300 -7.709 6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 332 -0.222 -7.099 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.328 -7.123 6.589 1.00 0.00 H new ATOM 734 N PHE A 333 -1.354 -2.520 5.751 1.00 0.00 N ATOM 735 CA PHE A 333 -1.812 -1.180 6.217 1.00 0.00 C ATOM 736 C PHE A 333 -3.336 -1.098 6.114 1.00 0.00 C ATOM 737 O PHE A 333 -3.928 -1.561 5.159 1.00 0.00 O ATOM 738 CB PHE A 333 -1.172 -0.118 5.327 1.00 0.00 C ATOM 739 CG PHE A 333 0.323 -0.229 5.461 1.00 0.00 C ATOM 740 CD1 PHE A 333 1.041 -1.093 4.629 1.00 0.00 C ATOM 741 CD2 PHE A 333 0.987 0.514 6.438 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.428 -1.206 4.771 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.372 0.400 6.585 1.00 0.00 C ATOM 744 CZ PHE A 333 3.095 -0.461 5.750 1.00 0.00 C ATOM 0 H PHE A 333 -1.837 -2.870 4.924 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.521 -1.019 7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.472 -0.261 4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.507 0.877 5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.525 -1.673 3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.429 1.178 7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.984 -1.869 4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 333 2.884 0.975 7.342 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.166 -0.550 5.861 1.00 0.00 H new ATOM 754 N HIS A 334 -3.979 -0.524 7.100 1.00 0.00 N ATOM 755 CA HIS A 334 -5.472 -0.421 7.075 1.00 0.00 C ATOM 756 C HIS A 334 -5.892 0.977 6.601 1.00 0.00 C ATOM 757 O HIS A 334 -6.873 1.130 5.901 1.00 0.00 O ATOM 758 CB HIS A 334 -6.016 -0.667 8.490 1.00 0.00 C ATOM 759 CG HIS A 334 -7.471 -1.055 8.423 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.129 -1.244 7.217 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.403 -1.300 9.400 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.397 -1.592 7.496 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.619 -1.639 8.814 1.00 0.00 N ATOM 0 H HIS A 334 -3.533 -0.121 7.924 1.00 0.00 H new ATOM 0 HA HIS A 334 -5.875 -1.165 6.388 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.443 -1.456 8.977 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -5.898 0.232 9.095 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.221 -1.239 10.463 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.145 -1.807 6.747 1.00 0.00 H new ATOM 0 HE2 HIS A 334 -10.492 -1.873 9.288 1.00 0.00 H new ATOM 771 N ASP A 335 -5.159 1.995 6.984 1.00 0.00 N ATOM 772 CA ASP A 335 -5.511 3.392 6.568 1.00 0.00 C ATOM 773 C ASP A 335 -4.469 3.918 5.580 1.00 0.00 C ATOM 774 O ASP A 335 -3.310 3.556 5.632 1.00 0.00 O ATOM 775 CB ASP A 335 -5.528 4.296 7.803 1.00 0.00 C ATOM 776 CG ASP A 335 -6.137 5.650 7.437 1.00 0.00 C ATOM 777 OD1 ASP A 335 -7.257 5.662 6.954 1.00 0.00 O ATOM 778 OD2 ASP A 335 -5.472 6.652 7.645 1.00 0.00 O ATOM 0 H ASP A 335 -4.328 1.919 7.570 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.492 3.389 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -6.106 3.829 8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -4.515 4.432 8.181 1.00 0.00 H new ATOM 783 N LYS A 336 -4.872 4.779 4.684 1.00 0.00 N ATOM 784 CA LYS A 336 -3.904 5.338 3.700 1.00 0.00 C ATOM 785 C LYS A 336 -2.790 6.059 4.455 1.00 0.00 C ATOM 786 O LYS A 336 -1.653 6.087 4.029 1.00 0.00 O ATOM 787 CB LYS A 336 -4.626 6.326 2.779 1.00 0.00 C ATOM 788 CG LYS A 336 -5.229 7.459 3.614 1.00 0.00 C ATOM 789 CD LYS A 336 -6.269 8.214 2.782 1.00 0.00 C ATOM 790 CE LYS A 336 -6.631 9.524 3.485 1.00 0.00 C ATOM 791 NZ LYS A 336 -7.001 9.241 4.902 1.00 0.00 N ATOM 0 H LYS A 336 -5.829 5.118 4.592 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.479 4.534 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -3.929 6.732 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.411 5.813 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -5.693 7.054 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -4.444 8.142 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -5.875 8.420 1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -7.161 7.601 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -5.788 10.214 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -7.461 10.008 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -7.558 10.034 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -7.566 8.369 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -6.137 9.123 5.469 1.00 0.00 H new ATOM 805 N THR A 337 -3.107 6.637 5.582 1.00 0.00 N ATOM 806 CA THR A 337 -2.063 7.345 6.370 1.00 0.00 C ATOM 807 C THR A 337 -1.048 6.326 6.862 1.00 0.00 C ATOM 808 O THR A 337 0.144 6.497 6.713 1.00 0.00 O ATOM 809 CB THR A 337 -2.697 8.022 7.583 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.794 8.821 7.164 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.653 8.899 8.279 1.00 0.00 C ATOM 0 H THR A 337 -4.042 6.649 5.989 1.00 0.00 H new ATOM 0 HA THR A 337 -1.583 8.096 5.742 1.00 0.00 H new ATOM 0 HB THR A 337 -3.053 7.263 8.279 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.620 8.297 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 337 -2.104 9.383 9.145 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.816 8.280 8.604 1.00 0.00 H new ATOM 0 HG23 THR A 337 -1.295 9.659 7.584 1.00 0.00 H new ATOM 819 N LYS A 338 -1.517 5.259 7.450 1.00 0.00 N ATOM 820 CA LYS A 338 -0.589 4.215 7.955 1.00 0.00 C ATOM 821 C LYS A 338 0.451 3.912 6.872 1.00 0.00 C ATOM 822 O LYS A 338 1.638 3.863 7.131 1.00 0.00 O ATOM 823 CB LYS A 338 -1.399 2.951 8.288 1.00 0.00 C ATOM 824 CG LYS A 338 -0.629 2.073 9.296 1.00 0.00 C ATOM 825 CD LYS A 338 -1.024 2.440 10.732 1.00 0.00 C ATOM 826 CE LYS A 338 -0.297 1.516 11.712 1.00 0.00 C ATOM 827 NZ LYS A 338 -0.849 0.135 11.600 1.00 0.00 N ATOM 0 H LYS A 338 -2.507 5.067 7.601 1.00 0.00 H new ATOM 0 HA LYS A 338 -0.077 4.558 8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -2.367 3.230 8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.594 2.385 7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 338 -0.844 1.021 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.444 2.208 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -0.768 3.479 10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -2.103 2.347 10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 338 0.772 1.510 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 338 -0.415 1.884 12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 -0.590 -0.412 12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 -1.885 0.181 11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 -0.457 -0.328 10.755 1.00 0.00 H new ATOM 841 N PHE A 339 0.012 3.734 5.656 1.00 0.00 N ATOM 842 CA PHE A 339 0.970 3.464 4.550 1.00 0.00 C ATOM 843 C PHE A 339 1.862 4.693 4.354 1.00 0.00 C ATOM 844 O PHE A 339 3.052 4.644 4.558 1.00 0.00 O ATOM 845 CB PHE A 339 0.206 3.174 3.257 1.00 0.00 C ATOM 846 CG PHE A 339 1.187 2.810 2.165 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.769 1.536 2.142 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.518 3.747 1.176 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.680 1.199 1.132 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.428 3.408 0.167 1.00 0.00 C ATOM 851 CZ PHE A 339 3.010 2.133 0.144 1.00 0.00 C ATOM 0 H PHE A 339 -0.970 3.764 5.382 1.00 0.00 H new ATOM 0 HA PHE A 339 1.582 2.597 4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.500 2.358 3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.376 4.047 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.515 0.813 2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 339 1.071 4.730 1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 339 3.128 0.217 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.682 4.130 -0.595 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.712 1.872 -0.635 1.00 0.00 H new ATOM 861 N THR A 340 1.287 5.797 3.954 1.00 0.00 N ATOM 862 CA THR A 340 2.094 7.038 3.737 1.00 0.00 C ATOM 863 C THR A 340 3.123 7.210 4.860 1.00 0.00 C ATOM 864 O THR A 340 4.296 7.404 4.613 1.00 0.00 O ATOM 865 CB THR A 340 1.156 8.248 3.713 1.00 0.00 C ATOM 866 OG1 THR A 340 0.134 8.033 2.750 1.00 0.00 O ATOM 867 CG2 THR A 340 1.946 9.505 3.349 1.00 0.00 C ATOM 0 H THR A 340 0.289 5.894 3.767 1.00 0.00 H new ATOM 0 HA THR A 340 2.623 6.958 2.788 1.00 0.00 H new ATOM 0 HB THR A 340 0.708 8.378 4.698 1.00 0.00 H new ATOM 0 HG1 THR A 340 -0.593 7.515 3.154 1.00 0.00 H new ATOM 0 HG21 THR A 340 1.275 10.364 3.333 1.00 0.00 H new ATOM 0 HG22 THR A 340 2.729 9.670 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 340 2.398 9.379 2.365 1.00 0.00 H new ATOM 875 N GLN A 341 2.695 7.135 6.089 1.00 0.00 N ATOM 876 CA GLN A 341 3.652 7.287 7.222 1.00 0.00 C ATOM 877 C GLN A 341 4.801 6.297 7.051 1.00 0.00 C ATOM 878 O GLN A 341 5.947 6.616 7.304 1.00 0.00 O ATOM 879 CB GLN A 341 2.928 7.019 8.543 1.00 0.00 C ATOM 880 CG GLN A 341 2.017 8.203 8.870 1.00 0.00 C ATOM 881 CD GLN A 341 1.273 7.932 10.179 1.00 0.00 C ATOM 882 OE1 GLN A 341 1.160 6.799 10.603 1.00 0.00 O ATOM 883 NE2 GLN A 341 0.757 8.931 10.841 1.00 0.00 N ATOM 0 H GLN A 341 1.724 6.975 6.359 1.00 0.00 H new ATOM 0 HA GLN A 341 4.049 8.302 7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.341 6.103 8.470 1.00 0.00 H new ATOM 0 HB3 GLN A 341 3.652 6.871 9.344 1.00 0.00 H new ATOM 0 HG2 GLN A 341 2.607 9.115 8.957 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.304 8.361 8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 341 0.852 9.882 10.485 1.00 0.00 H new ATOM 0 HE22 GLN A 341 0.259 8.761 11.715 1.00 0.00 H new ATOM 892 N TYR A 342 4.516 5.101 6.612 1.00 0.00 N ATOM 893 CA TYR A 342 5.613 4.109 6.419 1.00 0.00 C ATOM 894 C TYR A 342 6.718 4.766 5.594 1.00 0.00 C ATOM 895 O TYR A 342 7.867 4.786 5.973 1.00 0.00 O ATOM 896 CB TYR A 342 5.081 2.875 5.681 1.00 0.00 C ATOM 897 CG TYR A 342 6.171 1.831 5.575 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.741 1.289 6.731 1.00 0.00 C ATOM 899 CD2 TYR A 342 6.614 1.406 4.315 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.753 0.327 6.629 1.00 0.00 C ATOM 901 CE2 TYR A 342 7.624 0.446 4.215 1.00 0.00 C ATOM 902 CZ TYR A 342 8.195 -0.093 5.371 1.00 0.00 C ATOM 903 OH TYR A 342 9.192 -1.041 5.269 1.00 0.00 O ATOM 0 H TYR A 342 3.580 4.769 6.380 1.00 0.00 H new ATOM 0 HA TYR A 342 6.003 3.794 7.387 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.222 2.465 6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.736 3.156 4.686 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.400 1.613 7.703 1.00 0.00 H new ATOM 0 HD2 TYR A 342 6.174 1.821 3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 342 8.192 -0.091 7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 342 7.964 0.120 3.243 1.00 0.00 H new ATOM 0 HH TYR A 342 10.032 -0.606 5.013 1.00 0.00 H new ATOM 913 N LEU A 343 6.362 5.325 4.475 1.00 0.00 N ATOM 914 CA LEU A 343 7.373 6.013 3.622 1.00 0.00 C ATOM 915 C LEU A 343 7.920 7.222 4.371 1.00 0.00 C ATOM 916 O LEU A 343 9.108 7.493 4.339 1.00 0.00 O ATOM 917 CB LEU A 343 6.712 6.449 2.314 1.00 0.00 C ATOM 918 CG LEU A 343 6.048 5.232 1.652 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.507 5.630 0.285 1.00 0.00 C ATOM 920 CD2 LEU A 343 7.077 4.112 1.468 1.00 0.00 C ATOM 0 H LEU A 343 5.410 5.337 4.110 1.00 0.00 H new ATOM 0 HA LEU A 343 8.197 5.337 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 343 5.969 7.222 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.455 6.882 1.644 1.00 0.00 H new ATOM 0 HG LEU A 343 5.235 4.882 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 343 5.036 4.767 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.772 6.426 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.326 5.983 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 343 6.599 3.252 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.891 4.466 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 343 7.474 3.820 2.440 1.00 0.00 H new ATOM 932 N SER A 344 7.079 7.929 5.078 1.00 0.00 N ATOM 933 CA SER A 344 7.574 9.093 5.857 1.00 0.00 C ATOM 934 C SER A 344 8.657 8.589 6.808 1.00 0.00 C ATOM 935 O SER A 344 9.334 9.354 7.466 1.00 0.00 O ATOM 936 CB SER A 344 6.427 9.713 6.659 1.00 0.00 C ATOM 937 OG SER A 344 5.264 9.773 5.846 1.00 0.00 O ATOM 0 H SER A 344 6.077 7.750 5.148 1.00 0.00 H new ATOM 0 HA SER A 344 7.975 9.855 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.230 9.120 7.552 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.702 10.713 6.995 1.00 0.00 H new ATOM 0 HG SER A 344 4.577 10.308 6.296 1.00 0.00 H new ATOM 943 N THR A 345 8.821 7.292 6.876 1.00 0.00 N ATOM 944 CA THR A 345 9.852 6.703 7.771 1.00 0.00 C ATOM 945 C THR A 345 10.455 5.461 7.094 1.00 0.00 C ATOM 946 O THR A 345 11.167 4.692 7.708 1.00 0.00 O ATOM 947 CB THR A 345 9.210 6.350 9.124 1.00 0.00 C ATOM 948 OG1 THR A 345 10.230 6.138 10.089 1.00 0.00 O ATOM 949 CG2 THR A 345 8.347 5.092 9.009 1.00 0.00 C ATOM 0 H THR A 345 8.277 6.613 6.343 1.00 0.00 H new ATOM 0 HA THR A 345 10.654 7.418 7.953 1.00 0.00 H new ATOM 0 HB THR A 345 8.572 7.179 9.431 1.00 0.00 H new ATOM 0 HG1 THR A 345 10.931 5.570 9.705 1.00 0.00 H new ATOM 0 HG21 THR A 345 7.905 4.864 9.979 1.00 0.00 H new ATOM 0 HG22 THR A 345 7.555 5.260 8.279 1.00 0.00 H new ATOM 0 HG23 THR A 345 8.966 4.255 8.687 1.00 0.00 H new ATOM 957 N ASN A 346 10.206 5.287 5.811 1.00 0.00 N ATOM 958 CA ASN A 346 10.795 4.130 5.063 1.00 0.00 C ATOM 959 C ASN A 346 11.268 4.637 3.698 1.00 0.00 C ATOM 960 O ASN A 346 10.799 4.198 2.666 1.00 0.00 O ATOM 961 CB ASN A 346 9.753 3.019 4.854 1.00 0.00 C ATOM 962 CG ASN A 346 10.348 1.924 3.967 1.00 0.00 C ATOM 963 OD1 ASN A 346 11.279 1.246 4.355 1.00 0.00 O ATOM 964 ND2 ASN A 346 9.843 1.721 2.777 1.00 0.00 N ATOM 0 H ASN A 346 9.616 5.902 5.251 1.00 0.00 H new ATOM 0 HA ASN A 346 11.624 3.716 5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 346 9.453 2.601 5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 346 8.856 3.429 4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 346 10.231 0.994 2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 346 9.062 2.290 2.451 1.00 0.00 H new ATOM 971 N PRO A 347 12.195 5.565 3.698 1.00 0.00 N ATOM 972 CA PRO A 347 12.749 6.156 2.451 1.00 0.00 C ATOM 973 C PRO A 347 12.960 5.108 1.358 1.00 0.00 C ATOM 974 O PRO A 347 12.670 5.340 0.206 1.00 0.00 O ATOM 975 CB PRO A 347 14.089 6.740 2.906 1.00 0.00 C ATOM 976 CG PRO A 347 13.865 7.132 4.331 1.00 0.00 C ATOM 977 CD PRO A 347 12.826 6.147 4.894 1.00 0.00 C ATOM 0 HA PRO A 347 12.077 6.892 2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 347 14.891 6.007 2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 347 14.374 7.599 2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 347 14.794 7.082 4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.504 8.158 4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 347 13.297 5.380 5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.095 6.655 5.523 1.00 0.00 H new ATOM 985 N ALA A 348 13.469 3.958 1.727 1.00 0.00 N ATOM 986 CA ALA A 348 13.724 2.869 0.732 1.00 0.00 C ATOM 987 C ALA A 348 12.624 2.839 -0.333 1.00 0.00 C ATOM 988 O ALA A 348 12.886 2.952 -1.520 1.00 0.00 O ATOM 989 CB ALA A 348 13.758 1.524 1.461 1.00 0.00 C ATOM 0 H ALA A 348 13.722 3.725 2.687 1.00 0.00 H new ATOM 0 HA ALA A 348 14.679 3.058 0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 348 13.943 0.725 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 348 14.554 1.534 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 348 12.801 1.353 1.954 1.00 0.00 H new ATOM 995 N LEU A 349 11.392 2.697 0.067 1.00 0.00 N ATOM 996 CA LEU A 349 10.313 2.668 -0.957 1.00 0.00 C ATOM 997 C LEU A 349 10.105 4.081 -1.505 1.00 0.00 C ATOM 998 O LEU A 349 9.981 4.264 -2.689 1.00 0.00 O ATOM 999 CB LEU A 349 8.987 2.161 -0.354 1.00 0.00 C ATOM 1000 CG LEU A 349 8.889 0.627 -0.369 1.00 0.00 C ATOM 1001 CD1 LEU A 349 7.489 0.236 0.112 1.00 0.00 C ATOM 1002 CD2 LEU A 349 9.109 0.048 -1.783 1.00 0.00 C ATOM 0 H LEU A 349 11.090 2.602 1.036 1.00 0.00 H new ATOM 0 HA LEU A 349 10.612 1.988 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 349 8.896 2.519 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.151 2.582 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 349 9.666 0.224 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 349 7.394 -0.850 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 349 7.333 0.612 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 349 6.742 0.667 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 349 9.031 -1.039 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.352 0.444 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 349 10.099 0.329 -2.141 1.00 0.00 H new ATOM 1014 N GLN A 350 10.051 5.076 -0.656 1.00 0.00 N ATOM 1015 CA GLN A 350 9.815 6.471 -1.137 1.00 0.00 C ATOM 1016 C GLN A 350 10.578 6.731 -2.443 1.00 0.00 C ATOM 1017 O GLN A 350 10.163 7.528 -3.261 1.00 0.00 O ATOM 1018 CB GLN A 350 10.276 7.448 -0.044 1.00 0.00 C ATOM 1019 CG GLN A 350 9.463 8.739 -0.120 1.00 0.00 C ATOM 1020 CD GLN A 350 10.113 9.808 0.761 1.00 0.00 C ATOM 1021 OE1 GLN A 350 9.768 10.970 0.684 1.00 0.00 O ATOM 1022 NE2 GLN A 350 11.047 9.460 1.605 1.00 0.00 N ATOM 0 H GLN A 350 10.161 4.982 0.354 1.00 0.00 H new ATOM 0 HA GLN A 350 8.754 6.614 -1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 350 10.156 6.991 0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 350 11.336 7.669 -0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 350 9.410 9.087 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 350 8.440 8.556 0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 350 11.337 8.484 1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 350 11.486 10.164 2.199 1.00 0.00 H new ATOM 1031 N ARG A 351 11.665 6.044 -2.668 1.00 0.00 N ATOM 1032 CA ARG A 351 12.413 6.238 -3.944 1.00 0.00 C ATOM 1033 C ARG A 351 11.814 5.318 -5.010 1.00 0.00 C ATOM 1034 O ARG A 351 11.665 5.694 -6.156 1.00 0.00 O ATOM 1035 CB ARG A 351 13.891 5.897 -3.745 1.00 0.00 C ATOM 1036 CG ARG A 351 14.366 6.500 -2.427 1.00 0.00 C ATOM 1037 CD ARG A 351 15.894 6.452 -2.344 1.00 0.00 C ATOM 1038 NE ARG A 351 16.309 6.596 -0.920 1.00 0.00 N ATOM 1039 CZ ARG A 351 17.531 6.312 -0.562 1.00 0.00 C ATOM 1040 NH1 ARG A 351 18.401 5.930 -1.456 1.00 0.00 N ATOM 1041 NH2 ARG A 351 17.884 6.416 0.690 1.00 0.00 N ATOM 0 H ARG A 351 12.066 5.360 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 351 12.333 7.278 -4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.030 4.816 -3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.482 6.288 -4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 351 14.022 7.531 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 351 13.932 5.952 -1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.263 5.510 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 351 16.329 7.251 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 351 15.636 6.917 -0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 351 18.126 5.853 -2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 351 19.356 5.708 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 351 17.205 6.719 1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 351 18.839 6.194 0.971 1.00 0.00 H new ATOM 1055 N ILE A 352 11.479 4.104 -4.640 1.00 0.00 N ATOM 1056 CA ILE A 352 10.899 3.138 -5.636 1.00 0.00 C ATOM 1057 C ILE A 352 9.372 3.049 -5.494 1.00 0.00 C ATOM 1058 O ILE A 352 8.644 3.138 -6.462 1.00 0.00 O ATOM 1059 CB ILE A 352 11.489 1.748 -5.395 1.00 0.00 C ATOM 1060 CG1 ILE A 352 13.019 1.840 -5.316 1.00 0.00 C ATOM 1061 CG2 ILE A 352 11.090 0.824 -6.548 1.00 0.00 C ATOM 1062 CD1 ILE A 352 13.598 0.479 -4.925 1.00 0.00 C ATOM 0 H ILE A 352 11.581 3.738 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 352 11.143 3.494 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 352 11.106 1.349 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.424 2.156 -6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.310 2.594 -4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 352 11.509 -0.168 -6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 352 10.003 0.756 -6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 352 11.474 1.226 -7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 352 14.684 0.548 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 352 13.204 0.181 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 352 13.319 -0.263 -5.673 1.00 0.00 H new ATOM 1074 N ILE A 353 8.887 2.857 -4.299 1.00 0.00 N ATOM 1075 CA ILE A 353 7.420 2.738 -4.085 1.00 0.00 C ATOM 1076 C ILE A 353 6.842 1.740 -5.086 1.00 0.00 C ATOM 1077 O ILE A 353 7.562 1.107 -5.831 1.00 0.00 O ATOM 1078 CB ILE A 353 6.754 4.096 -4.275 1.00 0.00 C ATOM 1079 CG1 ILE A 353 7.546 5.162 -3.519 1.00 0.00 C ATOM 1080 CG2 ILE A 353 5.324 4.028 -3.728 1.00 0.00 C ATOM 1081 CD1 ILE A 353 6.771 6.478 -3.506 1.00 0.00 C ATOM 0 H ILE A 353 9.452 2.777 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 353 7.232 2.389 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 353 6.730 4.354 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 353 7.734 4.831 -2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 353 8.518 5.307 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 353 4.838 4.995 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 353 4.764 3.264 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 353 5.352 3.776 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 353 7.343 7.232 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.606 6.813 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.810 6.329 -3.014 1.00 0.00 H new