USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 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 Single : A 290 SER OG : rot 180:sc= -0.549 USER MOD Single : A 293 THR OG1 : rot 163:sc= 0.818 USER MOD Single : A 294 MET CE :methyl 152:sc= 0 (180deg=-0.771) USER MOD Single : A 295 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0473) USER MOD Single : A 301 THR OG1 : rot -170:sc= -0.266 USER MOD Single : A 305 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.5) USER MOD Single : A 306 THR OG1 : rot 75:sc= 0.353 USER MOD Single : A 310 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-8.8!) USER MOD Single : A 311 LYS NZ :NH3+ -145:sc= -1.06 (180deg=-2.9!) USER MOD Single : A 312 CYS SG : rot -81:sc= -2.49! USER MOD Single : A 313 GLN : amide:sc= -0.0322 X(o=-0.032,f=0) USER MOD Single : A 318 TYR OH : rot 180:sc= 0 USER MOD Single : A 321 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 SER OG : rot -160:sc= -1.31 USER MOD Single : A 325 THR OG1 : rot -125:sc= -1.82! USER MOD Single : A 330 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ -160:sc= -0.099 (180deg=-0.644) USER MOD Single : A 334 HIS : no HE2:sc= -4.35! C(o=-4.3!,f=-6!) USER MOD Single : A 336 LYS NZ :NH3+ 150:sc= -0.181 (180deg=-1.08) USER MOD Single : A 337 THR OG1 : rot 180:sc= 0 USER MOD Single : A 338 LYS NZ :NH3+ -161:sc= -0.0791 (180deg=-0.62) USER MOD Single : A 340 THR OG1 : rot 81:sc= 0.678 USER MOD Single : A 341 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.2!) USER MOD Single : A 342 TYR OH : rot 30:sc= 0 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 345 THR OG1 : rot -33:sc= 0.439 USER MOD Single : A 346 ASN :FLIP amide:sc= -0.536 F(o=-2.1,f=-0.54) USER MOD Single : A 350 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 289 -19.628 3.466 3.451 1.00 0.00 N ATOM 2 CA PHE A 289 -18.342 2.928 2.922 1.00 0.00 C ATOM 3 C PHE A 289 -17.938 3.720 1.676 1.00 0.00 C ATOM 4 O PHE A 289 -16.811 4.154 1.535 1.00 0.00 O ATOM 5 CB PHE A 289 -18.521 1.443 2.541 1.00 0.00 C ATOM 6 CG PHE A 289 -18.196 0.546 3.716 1.00 0.00 C ATOM 7 CD1 PHE A 289 -18.579 0.911 5.013 1.00 0.00 C ATOM 8 CD2 PHE A 289 -17.512 -0.656 3.501 1.00 0.00 C ATOM 9 CE1 PHE A 289 -18.276 0.073 6.093 1.00 0.00 C ATOM 10 CE2 PHE A 289 -17.209 -1.493 4.581 1.00 0.00 C ATOM 11 CZ PHE A 289 -17.591 -1.128 5.877 1.00 0.00 C ATOM 0 HA PHE A 289 -17.569 3.019 3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 289 -19.546 1.267 2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 289 -17.873 1.198 1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 289 -19.108 1.838 5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 289 -17.218 -0.938 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 289 -18.571 0.354 7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 289 -16.681 -2.420 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 289 -17.357 -1.773 6.711 1.00 0.00 H new ATOM 21 N SER A 290 -18.858 3.880 0.769 1.00 0.00 N ATOM 22 CA SER A 290 -18.572 4.610 -0.499 1.00 0.00 C ATOM 23 C SER A 290 -17.651 5.818 -0.268 1.00 0.00 C ATOM 24 O SER A 290 -16.564 5.877 -0.806 1.00 0.00 O ATOM 25 CB SER A 290 -19.899 5.061 -1.130 1.00 0.00 C ATOM 26 OG SER A 290 -19.757 6.368 -1.674 1.00 0.00 O ATOM 0 H SER A 290 -19.813 3.531 0.853 1.00 0.00 H new ATOM 0 HA SER A 290 -18.050 3.934 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 290 -20.196 4.362 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 290 -20.690 5.054 -0.380 1.00 0.00 H new ATOM 0 HG SER A 290 -20.605 6.649 -2.076 1.00 0.00 H new ATOM 32 N PRO A 291 -18.076 6.782 0.496 1.00 0.00 N ATOM 33 CA PRO A 291 -17.266 8.010 0.757 1.00 0.00 C ATOM 34 C PRO A 291 -15.967 7.753 1.538 1.00 0.00 C ATOM 35 O PRO A 291 -14.910 8.194 1.145 1.00 0.00 O ATOM 36 CB PRO A 291 -18.221 8.902 1.570 1.00 0.00 C ATOM 37 CG PRO A 291 -19.160 7.945 2.217 1.00 0.00 C ATOM 38 CD PRO A 291 -19.367 6.831 1.199 1.00 0.00 C ATOM 0 HA PRO A 291 -16.922 8.454 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 291 -17.681 9.491 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 291 -18.751 9.606 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 291 -18.745 7.556 3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 291 -20.104 8.429 2.467 1.00 0.00 H new ATOM 0 HD2 PRO A 291 -19.600 5.882 1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 291 -20.189 7.053 0.519 1.00 0.00 H new ATOM 46 N GLU A 292 -16.039 7.098 2.665 1.00 0.00 N ATOM 47 CA GLU A 292 -14.794 6.881 3.485 1.00 0.00 C ATOM 48 C GLU A 292 -14.062 5.577 3.116 1.00 0.00 C ATOM 49 O GLU A 292 -12.893 5.579 2.778 1.00 0.00 O ATOM 50 CB GLU A 292 -15.166 6.854 4.995 1.00 0.00 C ATOM 51 CG GLU A 292 -16.615 7.313 5.195 1.00 0.00 C ATOM 52 CD GLU A 292 -16.903 7.454 6.692 1.00 0.00 C ATOM 53 OE1 GLU A 292 -17.113 6.438 7.334 1.00 0.00 O ATOM 54 OE2 GLU A 292 -16.907 8.576 7.170 1.00 0.00 O ATOM 0 H GLU A 292 -16.894 6.704 3.058 1.00 0.00 H new ATOM 0 HA GLU A 292 -14.116 7.707 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 292 -15.039 5.846 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 292 -14.492 7.503 5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 292 -16.779 8.265 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 292 -17.301 6.593 4.748 1.00 0.00 H new ATOM 61 N THR A 293 -14.726 4.464 3.240 1.00 0.00 N ATOM 62 CA THR A 293 -14.062 3.154 2.968 1.00 0.00 C ATOM 63 C THR A 293 -13.533 3.066 1.544 1.00 0.00 C ATOM 64 O THR A 293 -12.467 2.532 1.310 1.00 0.00 O ATOM 65 CB THR A 293 -15.059 2.018 3.187 1.00 0.00 C ATOM 66 OG1 THR A 293 -15.604 2.113 4.496 1.00 0.00 O ATOM 67 CG2 THR A 293 -14.352 0.670 3.027 1.00 0.00 C ATOM 0 H THR A 293 -15.705 4.402 3.519 1.00 0.00 H new ATOM 0 HA THR A 293 -13.219 3.069 3.654 1.00 0.00 H new ATOM 0 HB THR A 293 -15.859 2.095 2.451 1.00 0.00 H new ATOM 0 HG1 THR A 293 -16.422 1.576 4.550 1.00 0.00 H new ATOM 0 HG21 THR A 293 -15.068 -0.137 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 293 -13.935 0.595 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 293 -13.549 0.591 3.760 1.00 0.00 H new ATOM 75 N MET A 294 -14.264 3.533 0.579 1.00 0.00 N ATOM 76 CA MET A 294 -13.760 3.393 -0.808 1.00 0.00 C ATOM 77 C MET A 294 -12.446 4.166 -0.963 1.00 0.00 C ATOM 78 O MET A 294 -11.514 3.689 -1.565 1.00 0.00 O ATOM 79 CB MET A 294 -14.808 3.886 -1.814 1.00 0.00 C ATOM 80 CG MET A 294 -14.682 3.073 -3.110 1.00 0.00 C ATOM 81 SD MET A 294 -15.876 3.679 -4.327 1.00 0.00 S ATOM 82 CE MET A 294 -17.256 2.621 -3.828 1.00 0.00 C ATOM 0 H MET A 294 -15.167 3.995 0.684 1.00 0.00 H new ATOM 0 HA MET A 294 -13.570 2.339 -1.013 1.00 0.00 H new ATOM 0 HB2 MET A 294 -15.809 3.777 -1.398 1.00 0.00 H new ATOM 0 HB3 MET A 294 -14.662 4.946 -2.020 1.00 0.00 H new ATOM 0 HG2 MET A 294 -13.670 3.156 -3.506 1.00 0.00 H new ATOM 0 HG3 MET A 294 -14.859 2.017 -2.907 1.00 0.00 H new ATOM 0 HE1 MET A 294 -18.198 3.117 -4.061 1.00 0.00 H new ATOM 0 HE2 MET A 294 -17.202 1.674 -4.366 1.00 0.00 H new ATOM 0 HE3 MET A 294 -17.201 2.433 -2.756 1.00 0.00 H new ATOM 92 N LYS A 295 -12.355 5.344 -0.417 1.00 0.00 N ATOM 93 CA LYS A 295 -11.081 6.113 -0.535 1.00 0.00 C ATOM 94 C LYS A 295 -9.940 5.233 -0.037 1.00 0.00 C ATOM 95 O LYS A 295 -8.834 5.286 -0.538 1.00 0.00 O ATOM 96 CB LYS A 295 -11.160 7.383 0.324 1.00 0.00 C ATOM 97 CG LYS A 295 -12.400 8.210 -0.058 1.00 0.00 C ATOM 98 CD LYS A 295 -12.089 9.094 -1.267 1.00 0.00 C ATOM 99 CE LYS A 295 -13.352 9.844 -1.698 1.00 0.00 C ATOM 100 NZ LYS A 295 -14.243 8.919 -2.452 1.00 0.00 N ATOM 0 H LYS A 295 -13.100 5.808 0.103 1.00 0.00 H new ATOM 0 HA LYS A 295 -10.913 6.398 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 295 -11.205 7.114 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 295 -10.259 7.981 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 295 -13.233 7.546 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 295 -12.708 8.828 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 295 -11.301 9.804 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 295 -11.719 8.483 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 295 -13.872 10.236 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 295 -13.086 10.699 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 295 -15.016 9.461 -2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 295 -13.695 8.437 -3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 295 -14.641 8.213 -1.801 1.00 0.00 H new ATOM 114 N ALA A 296 -10.207 4.419 0.944 1.00 0.00 N ATOM 115 CA ALA A 296 -9.146 3.523 1.475 1.00 0.00 C ATOM 116 C ALA A 296 -8.691 2.566 0.368 1.00 0.00 C ATOM 117 O ALA A 296 -7.520 2.469 0.064 1.00 0.00 O ATOM 118 CB ALA A 296 -9.701 2.723 2.654 1.00 0.00 C ATOM 0 H ALA A 296 -11.115 4.336 1.401 1.00 0.00 H new ATOM 0 HA ALA A 296 -8.296 4.117 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 296 -8.925 2.065 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 296 -10.025 3.408 3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 296 -10.549 2.125 2.321 1.00 0.00 H new ATOM 124 N ARG A 297 -9.611 1.866 -0.243 1.00 0.00 N ATOM 125 CA ARG A 297 -9.222 0.926 -1.337 1.00 0.00 C ATOM 126 C ARG A 297 -8.891 1.733 -2.598 1.00 0.00 C ATOM 127 O ARG A 297 -8.146 1.293 -3.450 1.00 0.00 O ATOM 128 CB ARG A 297 -10.350 -0.081 -1.626 1.00 0.00 C ATOM 129 CG ARG A 297 -11.713 0.590 -1.488 1.00 0.00 C ATOM 130 CD ARG A 297 -12.813 -0.399 -1.876 1.00 0.00 C ATOM 131 NE ARG A 297 -12.630 -0.820 -3.294 1.00 0.00 N ATOM 132 CZ ARG A 297 -13.256 -1.875 -3.742 1.00 0.00 C ATOM 133 NH1 ARG A 297 -14.035 -2.558 -2.949 1.00 0.00 N ATOM 134 NH2 ARG A 297 -13.101 -2.248 -4.984 1.00 0.00 N ATOM 0 H ARG A 297 -10.609 1.903 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 297 -8.345 0.360 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 297 -10.237 -0.484 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 297 -10.280 -0.922 -0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 297 -11.860 0.930 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 297 -11.762 1.472 -2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 297 -12.781 -1.269 -1.221 1.00 0.00 H new ATOM 0 HD3 ARG A 297 -13.792 0.062 -1.746 1.00 0.00 H new ATOM 0 HE ARG A 297 -12.018 -0.286 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 297 -14.155 -2.268 -1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 297 -14.524 -3.382 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 297 -12.491 -1.715 -5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 297 -13.590 -3.072 -5.334 1.00 0.00 H new ATOM 148 N ARG A 298 -9.417 2.917 -2.718 1.00 0.00 N ATOM 149 CA ARG A 298 -9.095 3.740 -3.915 1.00 0.00 C ATOM 150 C ARG A 298 -7.597 4.021 -3.877 1.00 0.00 C ATOM 151 O ARG A 298 -6.890 3.856 -4.853 1.00 0.00 O ATOM 152 CB ARG A 298 -9.891 5.054 -3.878 1.00 0.00 C ATOM 153 CG ARG A 298 -10.005 5.642 -5.295 1.00 0.00 C ATOM 154 CD ARG A 298 -8.622 6.084 -5.812 1.00 0.00 C ATOM 155 NE ARG A 298 -8.778 7.300 -6.674 1.00 0.00 N ATOM 156 CZ ARG A 298 -9.659 7.339 -7.638 1.00 0.00 C ATOM 157 NH1 ARG A 298 -10.302 6.261 -7.994 1.00 0.00 N ATOM 158 NH2 ARG A 298 -9.859 8.454 -8.286 1.00 0.00 N ATOM 0 H ARG A 298 -10.051 3.349 -2.046 1.00 0.00 H new ATOM 0 HA ARG A 298 -9.362 3.217 -4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 298 -10.885 4.875 -3.469 1.00 0.00 H new ATOM 0 HB3 ARG A 298 -9.399 5.768 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 298 -10.431 4.899 -5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 298 -10.686 6.493 -5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 298 -7.961 6.302 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 298 -8.160 5.278 -6.382 1.00 0.00 H new ATOM 0 HE ARG A 298 -8.185 8.113 -6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 298 -10.119 5.377 -7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 298 -10.988 6.302 -8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 298 -9.329 9.290 -8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 298 -10.546 8.490 -9.039 1.00 0.00 H new ATOM 172 N ALA A 299 -7.102 4.411 -2.734 1.00 0.00 N ATOM 173 CA ALA A 299 -5.643 4.662 -2.609 1.00 0.00 C ATOM 174 C ALA A 299 -4.923 3.371 -2.994 1.00 0.00 C ATOM 175 O ALA A 299 -4.034 3.360 -3.819 1.00 0.00 O ATOM 176 CB ALA A 299 -5.310 5.029 -1.162 1.00 0.00 C ATOM 0 H ALA A 299 -7.645 4.566 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 299 -5.332 5.483 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 299 -4.240 5.213 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 299 -5.858 5.928 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 299 -5.595 4.208 -0.504 1.00 0.00 H new ATOM 182 N TRP A 300 -5.335 2.276 -2.413 1.00 0.00 N ATOM 183 CA TRP A 300 -4.718 0.961 -2.744 1.00 0.00 C ATOM 184 C TRP A 300 -4.697 0.777 -4.261 1.00 0.00 C ATOM 185 O TRP A 300 -3.976 -0.048 -4.781 1.00 0.00 O ATOM 186 CB TRP A 300 -5.549 -0.153 -2.115 1.00 0.00 C ATOM 187 CG TRP A 300 -5.560 -0.086 -0.604 1.00 0.00 C ATOM 188 CD1 TRP A 300 -6.399 -0.833 0.155 1.00 0.00 C ATOM 189 CD2 TRP A 300 -4.745 0.696 0.357 1.00 0.00 C ATOM 190 NE1 TRP A 300 -6.152 -0.590 1.485 1.00 0.00 N ATOM 191 CE2 TRP A 300 -5.154 0.331 1.668 1.00 0.00 C ATOM 192 CE3 TRP A 300 -3.706 1.660 0.252 1.00 0.00 C ATOM 193 CZ2 TRP A 300 -4.571 0.877 2.807 1.00 0.00 C ATOM 194 CZ3 TRP A 300 -3.123 2.207 1.408 1.00 0.00 C ATOM 195 CH2 TRP A 300 -3.552 1.811 2.678 1.00 0.00 C ATOM 0 H TRP A 300 -6.080 2.237 -1.717 1.00 0.00 H new ATOM 0 HA TRP A 300 -3.699 0.926 -2.358 1.00 0.00 H new ATOM 0 HB2 TRP A 300 -6.572 -0.092 -2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 300 -5.153 -1.119 -2.430 1.00 0.00 H new ATOM 0 HD1 TRP A 300 -7.146 -1.514 -0.226 1.00 0.00 H new ATOM 0 HE1 TRP A 300 -6.654 -1.043 2.248 1.00 0.00 H new ATOM 0 HE3 TRP A 300 -3.362 1.974 -0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 300 -4.910 0.576 3.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 300 -2.336 2.940 1.314 1.00 0.00 H new ATOM 0 HH2 TRP A 300 -3.091 2.232 3.559 1.00 0.00 H new ATOM 206 N THR A 301 -5.473 1.539 -4.979 1.00 0.00 N ATOM 207 CA THR A 301 -5.474 1.395 -6.462 1.00 0.00 C ATOM 208 C THR A 301 -4.229 2.074 -7.041 1.00 0.00 C ATOM 209 O THR A 301 -3.489 1.494 -7.811 1.00 0.00 O ATOM 210 CB THR A 301 -6.726 2.059 -7.041 1.00 0.00 C ATOM 211 OG1 THR A 301 -7.835 1.787 -6.196 1.00 0.00 O ATOM 212 CG2 THR A 301 -7.004 1.512 -8.445 1.00 0.00 C ATOM 0 H THR A 301 -6.102 2.250 -4.607 1.00 0.00 H new ATOM 0 HA THR A 301 -5.469 0.336 -6.722 1.00 0.00 H new ATOM 0 HB THR A 301 -6.568 3.136 -7.103 1.00 0.00 H new ATOM 0 HG1 THR A 301 -8.661 2.072 -6.639 1.00 0.00 H new ATOM 0 HG21 THR A 301 -7.896 1.989 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 301 -6.153 1.723 -9.093 1.00 0.00 H new ATOM 0 HG23 THR A 301 -7.161 0.435 -8.391 1.00 0.00 H new ATOM 220 N ASP A 302 -4.007 3.309 -6.679 1.00 0.00 N ATOM 221 CA ASP A 302 -2.825 4.049 -7.208 1.00 0.00 C ATOM 222 C ASP A 302 -1.537 3.288 -6.894 1.00 0.00 C ATOM 223 O ASP A 302 -0.674 3.143 -7.736 1.00 0.00 O ATOM 224 CB ASP A 302 -2.762 5.433 -6.560 1.00 0.00 C ATOM 225 CG ASP A 302 -4.115 6.129 -6.709 1.00 0.00 C ATOM 226 OD1 ASP A 302 -4.767 5.905 -7.715 1.00 0.00 O ATOM 227 OD2 ASP A 302 -4.478 6.874 -5.813 1.00 0.00 O ATOM 0 H ASP A 302 -4.596 3.839 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 302 -2.925 4.147 -8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 302 -2.503 5.341 -5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 302 -1.980 6.030 -7.029 1.00 0.00 H new ATOM 232 N VAL A 303 -1.385 2.811 -5.689 1.00 0.00 N ATOM 233 CA VAL A 303 -0.139 2.081 -5.342 1.00 0.00 C ATOM 234 C VAL A 303 -0.162 0.683 -5.964 1.00 0.00 C ATOM 235 O VAL A 303 0.870 0.092 -6.208 1.00 0.00 O ATOM 236 CB VAL A 303 -0.018 1.965 -3.823 1.00 0.00 C ATOM 237 CG1 VAL A 303 0.339 3.332 -3.236 1.00 0.00 C ATOM 238 CG2 VAL A 303 -1.345 1.487 -3.233 1.00 0.00 C ATOM 0 H VAL A 303 -2.067 2.896 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 303 0.717 2.631 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 303 0.763 1.246 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 303 0.426 3.251 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 303 1.288 3.670 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 303 -0.442 4.050 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 303 -1.253 1.406 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 303 -2.131 2.202 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 303 -1.598 0.512 -3.650 1.00 0.00 H new ATOM 248 N ILE A 304 -1.321 0.143 -6.233 1.00 0.00 N ATOM 249 CA ILE A 304 -1.363 -1.217 -6.842 1.00 0.00 C ATOM 250 C ILE A 304 -0.564 -1.187 -8.153 1.00 0.00 C ATOM 251 O ILE A 304 0.175 -2.101 -8.459 1.00 0.00 O ATOM 252 CB ILE A 304 -2.847 -1.632 -7.071 1.00 0.00 C ATOM 253 CG1 ILE A 304 -3.296 -2.595 -5.956 1.00 0.00 C ATOM 254 CG2 ILE A 304 -3.039 -2.325 -8.430 1.00 0.00 C ATOM 255 CD1 ILE A 304 -4.811 -2.802 -6.021 1.00 0.00 C ATOM 0 H ILE A 304 -2.228 0.577 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 304 -0.913 -1.959 -6.182 1.00 0.00 H new ATOM 0 HB ILE A 304 -3.449 -0.723 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 304 -2.785 -3.552 -6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 304 -3.017 -2.192 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 304 -4.087 -2.600 -8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 304 -2.745 -1.645 -9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 304 -2.421 -3.222 -8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 304 -5.119 -3.484 -5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 304 -5.315 -1.844 -5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 304 -5.079 -3.225 -6.989 1.00 0.00 H new ATOM 267 N GLN A 305 -0.702 -0.144 -8.927 1.00 0.00 N ATOM 268 CA GLN A 305 0.058 -0.070 -10.207 1.00 0.00 C ATOM 269 C GLN A 305 1.512 0.317 -9.920 1.00 0.00 C ATOM 270 O GLN A 305 2.417 -0.073 -10.630 1.00 0.00 O ATOM 271 CB GLN A 305 -0.578 0.967 -11.137 1.00 0.00 C ATOM 272 CG GLN A 305 -0.788 2.280 -10.384 1.00 0.00 C ATOM 273 CD GLN A 305 -1.159 3.383 -11.378 1.00 0.00 C ATOM 274 OE1 GLN A 305 -0.521 3.532 -12.402 1.00 0.00 O ATOM 275 NE2 GLN A 305 -2.172 4.163 -11.122 1.00 0.00 N ATOM 0 H GLN A 305 -1.304 0.655 -8.730 1.00 0.00 H new ATOM 0 HA GLN A 305 0.031 -1.045 -10.693 1.00 0.00 H new ATOM 0 HB2 GLN A 305 0.062 1.133 -12.003 1.00 0.00 H new ATOM 0 HB3 GLN A 305 -1.532 0.596 -11.512 1.00 0.00 H new ATOM 0 HG2 GLN A 305 -1.578 2.164 -9.642 1.00 0.00 H new ATOM 0 HG3 GLN A 305 0.119 2.552 -9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 305 -2.707 4.038 -10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 305 -2.429 4.898 -11.781 1.00 0.00 H new ATOM 284 N THR A 306 1.750 1.082 -8.887 1.00 0.00 N ATOM 285 CA THR A 306 3.153 1.484 -8.573 1.00 0.00 C ATOM 286 C THR A 306 3.911 0.291 -7.997 1.00 0.00 C ATOM 287 O THR A 306 4.987 -0.033 -8.441 1.00 0.00 O ATOM 288 CB THR A 306 3.166 2.614 -7.547 1.00 0.00 C ATOM 289 OG1 THR A 306 2.321 3.667 -7.987 1.00 0.00 O ATOM 290 CG2 THR A 306 4.597 3.135 -7.381 1.00 0.00 C ATOM 0 H THR A 306 1.039 1.444 -8.251 1.00 0.00 H new ATOM 0 HA THR A 306 3.629 1.824 -9.493 1.00 0.00 H new ATOM 0 HB THR A 306 2.804 2.240 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 306 1.384 3.406 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 306 4.608 3.942 -6.649 1.00 0.00 H new ATOM 0 HG22 THR A 306 5.241 2.325 -7.038 1.00 0.00 H new ATOM 0 HG23 THR A 306 4.961 3.509 -8.338 1.00 0.00 H new ATOM 298 N LEU A 307 3.360 -0.366 -7.008 1.00 0.00 N ATOM 299 CA LEU A 307 4.060 -1.541 -6.404 1.00 0.00 C ATOM 300 C LEU A 307 4.585 -2.438 -7.537 1.00 0.00 C ATOM 301 O LEU A 307 5.672 -2.976 -7.468 1.00 0.00 O ATOM 302 CB LEU A 307 3.065 -2.331 -5.523 1.00 0.00 C ATOM 303 CG LEU A 307 3.127 -1.893 -4.042 1.00 0.00 C ATOM 304 CD1 LEU A 307 4.327 -2.542 -3.343 1.00 0.00 C ATOM 305 CD2 LEU A 307 3.219 -0.357 -3.926 1.00 0.00 C ATOM 0 H LEU A 307 2.456 -0.140 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 307 4.894 -1.207 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.053 -2.187 -5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 307 3.284 -3.396 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 307 2.210 -2.223 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 307 4.357 -2.224 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 307 4.232 -3.627 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 307 5.247 -2.238 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 307 3.261 -0.073 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 307 4.118 -0.007 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 307 2.342 0.096 -4.389 1.00 0.00 H new ATOM 317 N ARG A 308 3.817 -2.589 -8.581 1.00 0.00 N ATOM 318 CA ARG A 308 4.268 -3.436 -9.724 1.00 0.00 C ATOM 319 C ARG A 308 5.573 -2.868 -10.288 1.00 0.00 C ATOM 320 O ARG A 308 6.301 -3.541 -10.990 1.00 0.00 O ATOM 321 CB ARG A 308 3.196 -3.426 -10.825 1.00 0.00 C ATOM 322 CG ARG A 308 1.875 -4.030 -10.298 1.00 0.00 C ATOM 323 CD ARG A 308 1.806 -5.538 -10.612 1.00 0.00 C ATOM 324 NE ARG A 308 3.176 -6.123 -10.608 1.00 0.00 N ATOM 325 CZ ARG A 308 3.329 -7.416 -10.507 1.00 0.00 C ATOM 326 NH1 ARG A 308 2.283 -8.189 -10.401 1.00 0.00 N ATOM 327 NH2 ARG A 308 4.526 -7.936 -10.514 1.00 0.00 N ATOM 0 H ARG A 308 2.897 -2.163 -8.693 1.00 0.00 H new ATOM 0 HA ARG A 308 4.427 -4.458 -9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 308 3.026 -2.405 -11.166 1.00 0.00 H new ATOM 0 HB3 ARG A 308 3.545 -3.995 -11.686 1.00 0.00 H new ATOM 0 HG2 ARG A 308 1.801 -3.873 -9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 308 1.027 -3.519 -10.754 1.00 0.00 H new ATOM 0 HD2 ARG A 308 1.184 -6.043 -9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 308 1.338 -5.694 -11.584 1.00 0.00 H new ATOM 0 HE ARG A 308 3.992 -5.516 -10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 308 1.347 -7.783 -10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 308 2.401 -9.199 -10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 308 5.344 -7.332 -10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 308 4.644 -8.946 -10.435 1.00 0.00 H new ATOM 341 N GLU A 309 5.871 -1.631 -9.989 1.00 0.00 N ATOM 342 CA GLU A 309 7.125 -1.015 -10.508 1.00 0.00 C ATOM 343 C GLU A 309 8.301 -1.477 -9.637 1.00 0.00 C ATOM 344 O GLU A 309 9.439 -1.119 -9.865 1.00 0.00 O ATOM 345 CB GLU A 309 6.973 0.529 -10.489 1.00 0.00 C ATOM 346 CG GLU A 309 7.465 1.143 -9.159 1.00 0.00 C ATOM 347 CD GLU A 309 8.979 1.361 -9.213 1.00 0.00 C ATOM 348 OE1 GLU A 309 9.416 2.149 -10.038 1.00 0.00 O ATOM 349 OE2 GLU A 309 9.675 0.735 -8.432 1.00 0.00 O ATOM 0 H GLU A 309 5.298 -1.020 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 309 7.316 -1.326 -11.535 1.00 0.00 H new ATOM 0 HB2 GLU A 309 7.536 0.959 -11.317 1.00 0.00 H new ATOM 0 HB3 GLU A 309 5.927 0.792 -10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 309 6.959 2.091 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 309 7.213 0.483 -8.329 1.00 0.00 H new ATOM 356 N HIS A 310 8.015 -2.279 -8.642 1.00 0.00 N ATOM 357 CA HIS A 310 9.083 -2.793 -7.725 1.00 0.00 C ATOM 358 C HIS A 310 9.109 -4.330 -7.833 1.00 0.00 C ATOM 359 O HIS A 310 8.724 -4.891 -8.840 1.00 0.00 O ATOM 360 CB HIS A 310 8.715 -2.343 -6.280 1.00 0.00 C ATOM 361 CG HIS A 310 9.706 -1.336 -5.753 1.00 0.00 C ATOM 362 ND1 HIS A 310 10.928 -1.713 -5.222 1.00 0.00 N ATOM 363 CD2 HIS A 310 9.652 0.032 -5.643 1.00 0.00 C ATOM 364 CE1 HIS A 310 11.555 -0.594 -4.818 1.00 0.00 C ATOM 365 NE2 HIS A 310 10.822 0.498 -5.051 1.00 0.00 N ATOM 0 H HIS A 310 7.074 -2.605 -8.422 1.00 0.00 H new ATOM 0 HA HIS A 310 10.069 -2.407 -7.985 1.00 0.00 H new ATOM 0 HB2 HIS A 310 7.715 -1.910 -6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 310 8.690 -3.211 -5.621 1.00 0.00 H new ATOM 0 HD1 HIS A 310 11.287 -2.665 -5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 310 8.828 0.651 -5.966 1.00 0.00 H new ATOM 0 HE1 HIS A 310 12.533 -0.580 -4.360 1.00 0.00 H new ATOM 373 N LYS A 311 9.535 -5.007 -6.795 1.00 0.00 N ATOM 374 CA LYS A 311 9.566 -6.505 -6.807 1.00 0.00 C ATOM 375 C LYS A 311 8.575 -7.003 -5.761 1.00 0.00 C ATOM 376 O LYS A 311 8.497 -8.178 -5.461 1.00 0.00 O ATOM 377 CB LYS A 311 10.988 -6.990 -6.479 1.00 0.00 C ATOM 378 CG LYS A 311 12.011 -5.998 -7.051 1.00 0.00 C ATOM 379 CD LYS A 311 13.402 -6.658 -7.146 1.00 0.00 C ATOM 380 CE LYS A 311 13.534 -7.489 -8.435 1.00 0.00 C ATOM 381 NZ LYS A 311 12.933 -8.837 -8.228 1.00 0.00 N ATOM 0 H LYS A 311 9.867 -4.581 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 311 9.291 -6.892 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 311 11.114 -7.077 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 311 11.152 -7.982 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 311 11.691 -5.664 -8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 311 12.063 -5.113 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 311 14.175 -5.890 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 311 13.564 -7.298 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 311 13.035 -6.980 -9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 311 14.584 -7.587 -8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 13.479 -9.546 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 12.950 -9.073 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 11.950 -8.834 -8.566 1.00 0.00 H new ATOM 395 N CYS A 312 7.811 -6.100 -5.210 1.00 0.00 N ATOM 396 CA CYS A 312 6.802 -6.478 -4.185 1.00 0.00 C ATOM 397 C CYS A 312 5.443 -6.633 -4.865 1.00 0.00 C ATOM 398 O CYS A 312 4.839 -5.670 -5.294 1.00 0.00 O ATOM 399 CB CYS A 312 6.726 -5.373 -3.132 1.00 0.00 C ATOM 400 SG CYS A 312 8.401 -4.839 -2.702 1.00 0.00 S ATOM 0 H CYS A 312 7.845 -5.105 -5.430 1.00 0.00 H new ATOM 0 HA CYS A 312 7.082 -7.417 -3.707 1.00 0.00 H new ATOM 0 HB2 CYS A 312 6.150 -4.530 -3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 312 6.209 -5.736 -2.244 1.00 0.00 H new ATOM 0 HG CYS A 312 8.914 -5.669 -1.843 1.00 0.00 H new ATOM 406 N GLN A 313 4.963 -7.837 -4.979 1.00 0.00 N ATOM 407 CA GLN A 313 3.648 -8.053 -5.646 1.00 0.00 C ATOM 408 C GLN A 313 2.517 -7.493 -4.759 1.00 0.00 C ATOM 409 O GLN A 313 2.350 -7.924 -3.638 1.00 0.00 O ATOM 410 CB GLN A 313 3.428 -9.555 -5.845 1.00 0.00 C ATOM 411 CG GLN A 313 4.464 -10.096 -6.832 1.00 0.00 C ATOM 412 CD GLN A 313 4.466 -11.625 -6.779 1.00 0.00 C ATOM 413 OE1 GLN A 313 4.145 -12.277 -7.753 1.00 0.00 O ATOM 414 NE2 GLN A 313 4.814 -12.226 -5.675 1.00 0.00 N ATOM 0 H GLN A 313 5.423 -8.682 -4.640 1.00 0.00 H new ATOM 0 HA GLN A 313 3.642 -7.543 -6.609 1.00 0.00 H new ATOM 0 HB2 GLN A 313 3.513 -10.075 -4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 313 2.421 -9.739 -6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 313 4.233 -9.756 -7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 313 5.453 -9.711 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 313 5.083 -11.677 -4.859 1.00 0.00 H new ATOM 0 HE22 GLN A 313 4.817 -13.245 -5.628 1.00 0.00 H new ATOM 423 N PRO A 314 1.740 -6.538 -5.235 1.00 0.00 N ATOM 424 CA PRO A 314 0.626 -5.945 -4.435 1.00 0.00 C ATOM 425 C PRO A 314 -0.668 -6.757 -4.521 1.00 0.00 C ATOM 426 O PRO A 314 -0.975 -7.357 -5.532 1.00 0.00 O ATOM 427 CB PRO A 314 0.428 -4.586 -5.094 1.00 0.00 C ATOM 428 CG PRO A 314 0.712 -4.839 -6.538 1.00 0.00 C ATOM 429 CD PRO A 314 1.825 -5.899 -6.567 1.00 0.00 C ATOM 0 HA PRO A 314 0.865 -5.908 -3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -0.586 -4.215 -4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 314 1.105 -3.839 -4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -0.179 -5.194 -7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 314 1.029 -3.925 -7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 314 1.668 -6.622 -7.368 1.00 0.00 H new ATOM 0 HD3 PRO A 314 2.803 -5.447 -6.732 1.00 0.00 H new ATOM 437 N ARG A 315 -1.438 -6.758 -3.469 1.00 0.00 N ATOM 438 CA ARG A 315 -2.729 -7.505 -3.480 1.00 0.00 C ATOM 439 C ARG A 315 -3.715 -6.804 -2.540 1.00 0.00 C ATOM 440 O ARG A 315 -3.391 -6.503 -1.412 1.00 0.00 O ATOM 441 CB ARG A 315 -2.491 -8.942 -2.999 1.00 0.00 C ATOM 442 CG ARG A 315 -1.514 -8.943 -1.803 1.00 0.00 C ATOM 443 CD ARG A 315 -0.040 -8.968 -2.266 1.00 0.00 C ATOM 444 NE ARG A 315 0.771 -9.668 -1.232 1.00 0.00 N ATOM 445 CZ ARG A 315 1.927 -10.189 -1.540 1.00 0.00 C ATOM 446 NH1 ARG A 315 2.363 -10.144 -2.769 1.00 0.00 N ATOM 447 NH2 ARG A 315 2.638 -10.775 -0.618 1.00 0.00 N ATOM 0 H ARG A 315 -1.229 -6.271 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 315 -3.137 -7.528 -4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 315 -3.437 -9.398 -2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 315 -2.085 -9.544 -3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 315 -1.688 -8.058 -1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 315 -1.712 -9.810 -1.173 1.00 0.00 H new ATOM 0 HD2 ARG A 315 0.047 -9.479 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 315 0.328 -7.952 -2.412 1.00 0.00 H new ATOM 0 HE ARG A 315 0.421 -9.741 -0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 315 1.799 -9.700 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 315 3.267 -10.553 -3.005 1.00 0.00 H new ATOM 0 HH21 ARG A 315 2.290 -10.825 0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 315 3.542 -11.184 -0.854 1.00 0.00 H new ATOM 461 N LEU A 316 -4.917 -6.537 -2.981 1.00 0.00 N ATOM 462 CA LEU A 316 -5.889 -5.865 -2.088 1.00 0.00 C ATOM 463 C LEU A 316 -6.502 -6.911 -1.152 1.00 0.00 C ATOM 464 O LEU A 316 -7.134 -7.857 -1.580 1.00 0.00 O ATOM 465 CB LEU A 316 -6.980 -5.205 -2.945 1.00 0.00 C ATOM 466 CG LEU A 316 -7.572 -3.994 -2.218 1.00 0.00 C ATOM 467 CD1 LEU A 316 -8.549 -3.270 -3.147 1.00 0.00 C ATOM 468 CD2 LEU A 316 -8.309 -4.466 -0.969 1.00 0.00 C ATOM 0 H LEU A 316 -5.260 -6.756 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 316 -5.396 -5.097 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 316 -6.561 -4.893 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 316 -7.767 -5.927 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 316 -6.772 -3.311 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 316 -8.971 -2.408 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 316 -8.022 -2.936 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 316 -9.351 -3.950 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 316 -8.732 -3.606 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 316 -9.111 -5.147 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 316 -7.612 -4.983 -0.309 1.00 0.00 H new ATOM 480 N LEU A 317 -6.316 -6.734 0.122 1.00 0.00 N ATOM 481 CA LEU A 317 -6.878 -7.696 1.125 1.00 0.00 C ATOM 482 C LEU A 317 -8.233 -7.156 1.581 1.00 0.00 C ATOM 483 O LEU A 317 -8.811 -6.365 0.881 1.00 0.00 O ATOM 484 CB LEU A 317 -5.918 -7.800 2.323 1.00 0.00 C ATOM 485 CG LEU A 317 -4.749 -8.742 1.991 1.00 0.00 C ATOM 486 CD1 LEU A 317 -5.239 -10.197 1.840 1.00 0.00 C ATOM 487 CD2 LEU A 317 -4.080 -8.278 0.695 1.00 0.00 C ATOM 0 H LEU A 317 -5.793 -5.956 0.524 1.00 0.00 H new ATOM 0 HA LEU A 317 -6.998 -8.688 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 317 -5.536 -6.812 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 317 -6.455 -8.170 3.197 1.00 0.00 H new ATOM 0 HG LEU A 317 -4.030 -8.711 2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 317 -4.393 -10.843 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 317 -5.698 -10.525 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 317 -5.972 -10.252 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 317 -3.250 -8.943 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 317 -4.807 -8.298 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 317 -3.706 -7.262 0.822 1.00 0.00 H new ATOM 499 N TYR A 318 -8.721 -7.574 2.745 1.00 0.00 N ATOM 500 CA TYR A 318 -10.045 -7.092 3.304 1.00 0.00 C ATOM 501 C TYR A 318 -10.545 -5.843 2.545 1.00 0.00 C ATOM 502 O TYR A 318 -9.743 -5.041 2.144 1.00 0.00 O ATOM 503 CB TYR A 318 -9.804 -6.739 4.783 1.00 0.00 C ATOM 504 CG TYR A 318 -11.057 -6.930 5.599 1.00 0.00 C ATOM 505 CD1 TYR A 318 -11.439 -8.216 5.990 1.00 0.00 C ATOM 506 CD2 TYR A 318 -11.836 -5.825 5.959 1.00 0.00 C ATOM 507 CE1 TYR A 318 -12.605 -8.400 6.744 1.00 0.00 C ATOM 508 CE2 TYR A 318 -13.001 -6.006 6.713 1.00 0.00 C ATOM 509 CZ TYR A 318 -13.385 -7.294 7.105 1.00 0.00 C ATOM 510 OH TYR A 318 -14.534 -7.475 7.848 1.00 0.00 O ATOM 0 H TYR A 318 -8.242 -8.247 3.344 1.00 0.00 H new ATOM 0 HA TYR A 318 -10.805 -7.866 3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 318 -9.007 -7.365 5.184 1.00 0.00 H new ATOM 0 HB3 TYR A 318 -9.469 -5.705 4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 318 -10.836 -9.067 5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 318 -11.538 -4.832 5.655 1.00 0.00 H new ATOM 0 HE1 TYR A 318 -12.902 -9.393 7.047 1.00 0.00 H new ATOM 0 HE2 TYR A 318 -13.603 -5.154 6.992 1.00 0.00 H new ATOM 0 HH TYR A 318 -14.957 -6.606 8.014 1.00 0.00 H new ATOM 520 N PRO A 319 -11.841 -5.681 2.339 1.00 0.00 N ATOM 521 CA PRO A 319 -12.422 -4.527 1.600 1.00 0.00 C ATOM 522 C PRO A 319 -11.526 -3.282 1.515 1.00 0.00 C ATOM 523 O PRO A 319 -11.672 -2.477 0.617 1.00 0.00 O ATOM 524 CB PRO A 319 -13.688 -4.266 2.398 1.00 0.00 C ATOM 525 CG PRO A 319 -14.183 -5.645 2.735 1.00 0.00 C ATOM 526 CD PRO A 319 -12.936 -6.563 2.784 1.00 0.00 C ATOM 0 HA PRO A 319 -12.575 -4.753 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 319 -13.483 -3.683 3.296 1.00 0.00 H new ATOM 0 HB3 PRO A 319 -14.421 -3.708 1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 319 -14.703 -5.647 3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 319 -14.893 -5.996 1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 319 -12.759 -6.946 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 319 -13.047 -7.427 2.128 1.00 0.00 H new ATOM 534 N ALA A 320 -10.582 -3.119 2.408 1.00 0.00 N ATOM 535 CA ALA A 320 -9.683 -1.929 2.313 1.00 0.00 C ATOM 536 C ALA A 320 -8.281 -2.217 2.885 1.00 0.00 C ATOM 537 O ALA A 320 -7.584 -1.294 3.248 1.00 0.00 O ATOM 538 CB ALA A 320 -10.300 -0.761 3.074 1.00 0.00 C ATOM 0 H ALA A 320 -10.396 -3.749 3.188 1.00 0.00 H new ATOM 0 HA ALA A 320 -9.574 -1.684 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -9.643 0.106 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -11.271 -0.517 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -10.428 -1.036 4.121 1.00 0.00 H new ATOM 544 N LYS A 321 -7.836 -3.461 2.958 1.00 0.00 N ATOM 545 CA LYS A 321 -6.446 -3.720 3.496 1.00 0.00 C ATOM 546 C LYS A 321 -5.506 -4.029 2.326 1.00 0.00 C ATOM 547 O LYS A 321 -5.854 -4.740 1.406 1.00 0.00 O ATOM 548 CB LYS A 321 -6.459 -4.895 4.501 1.00 0.00 C ATOM 549 CG LYS A 321 -6.770 -4.378 5.926 1.00 0.00 C ATOM 550 CD LYS A 321 -6.242 -5.350 6.984 1.00 0.00 C ATOM 551 CE LYS A 321 -7.076 -6.625 6.964 1.00 0.00 C ATOM 552 NZ LYS A 321 -6.688 -7.491 8.114 1.00 0.00 N ATOM 0 H LYS A 321 -8.360 -4.290 2.676 1.00 0.00 H new ATOM 0 HA LYS A 321 -6.094 -2.833 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 321 -7.206 -5.630 4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 321 -5.493 -5.401 4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 321 -6.317 -3.397 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 321 -7.846 -4.253 6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 321 -5.196 -5.584 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 321 -6.286 -4.889 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 321 -8.136 -6.380 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 321 -6.923 -7.158 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 321 -7.257 -8.361 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 321 -5.680 -7.735 8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 321 -6.856 -6.981 9.005 1.00 0.00 H new ATOM 566 N LEU A 322 -4.318 -3.462 2.349 1.00 0.00 N ATOM 567 CA LEU A 322 -3.338 -3.672 1.233 1.00 0.00 C ATOM 568 C LEU A 322 -2.052 -4.315 1.767 1.00 0.00 C ATOM 569 O LEU A 322 -1.394 -3.781 2.637 1.00 0.00 O ATOM 570 CB LEU A 322 -3.031 -2.290 0.639 1.00 0.00 C ATOM 571 CG LEU A 322 -2.317 -2.379 -0.725 1.00 0.00 C ATOM 572 CD1 LEU A 322 -0.934 -3.025 -0.560 1.00 0.00 C ATOM 573 CD2 LEU A 322 -3.164 -3.181 -1.734 1.00 0.00 C ATOM 0 H LEU A 322 -3.985 -2.858 3.100 1.00 0.00 H new ATOM 0 HA LEU A 322 -3.751 -4.338 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 322 -3.961 -1.733 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 322 -2.408 -1.729 1.336 1.00 0.00 H new ATOM 0 HG LEU A 322 -2.189 -1.368 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 322 -0.441 -3.082 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 322 -0.330 -2.423 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 322 -1.048 -4.029 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 322 -2.641 -3.231 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 322 -3.323 -4.190 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 322 -4.127 -2.689 -1.873 1.00 0.00 H new ATOM 585 N SER A 323 -1.687 -5.462 1.236 1.00 0.00 N ATOM 586 CA SER A 323 -0.438 -6.158 1.689 1.00 0.00 C ATOM 587 C SER A 323 0.654 -6.010 0.625 1.00 0.00 C ATOM 588 O SER A 323 0.384 -5.970 -0.564 1.00 0.00 O ATOM 589 CB SER A 323 -0.734 -7.647 1.915 1.00 0.00 C ATOM 590 OG SER A 323 -0.450 -8.374 0.730 1.00 0.00 O ATOM 0 H SER A 323 -2.205 -5.948 0.504 1.00 0.00 H new ATOM 0 HA SER A 323 -0.095 -5.709 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 323 -0.131 -8.027 2.740 1.00 0.00 H new ATOM 0 HB3 SER A 323 -1.779 -7.782 2.195 1.00 0.00 H new ATOM 0 HG SER A 323 -0.920 -9.234 0.753 1.00 0.00 H new ATOM 596 N ILE A 324 1.889 -5.927 1.055 1.00 0.00 N ATOM 597 CA ILE A 324 3.033 -5.774 0.106 1.00 0.00 C ATOM 598 C ILE A 324 4.168 -6.722 0.516 1.00 0.00 C ATOM 599 O ILE A 324 4.339 -7.038 1.678 1.00 0.00 O ATOM 600 CB ILE A 324 3.546 -4.327 0.146 1.00 0.00 C ATOM 601 CG1 ILE A 324 3.704 -3.835 1.623 1.00 0.00 C ATOM 602 CG2 ILE A 324 2.561 -3.425 -0.607 1.00 0.00 C ATOM 603 CD1 ILE A 324 5.178 -3.549 1.933 1.00 0.00 C ATOM 0 H ILE A 324 2.156 -5.959 2.039 1.00 0.00 H new ATOM 0 HA ILE A 324 2.698 -6.015 -0.903 1.00 0.00 H new ATOM 0 HB ILE A 324 4.525 -4.283 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 324 3.111 -2.934 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 324 3.321 -4.591 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 324 2.919 -2.396 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 324 2.482 -3.757 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 324 1.581 -3.480 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 324 5.273 -3.208 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 324 5.762 -4.459 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 324 5.548 -2.776 1.259 1.00 0.00 H new ATOM 615 N THR A 325 4.931 -7.194 -0.442 1.00 0.00 N ATOM 616 CA THR A 325 6.049 -8.146 -0.140 1.00 0.00 C ATOM 617 C THR A 325 7.411 -7.431 -0.158 1.00 0.00 C ATOM 618 O THR A 325 7.884 -7.008 -1.192 1.00 0.00 O ATOM 619 CB THR A 325 6.041 -9.253 -1.206 1.00 0.00 C ATOM 620 OG1 THR A 325 4.909 -10.085 -1.005 1.00 0.00 O ATOM 621 CG2 THR A 325 7.314 -10.100 -1.103 1.00 0.00 C ATOM 0 H THR A 325 4.826 -6.958 -1.429 1.00 0.00 H new ATOM 0 HA THR A 325 5.901 -8.563 0.856 1.00 0.00 H new ATOM 0 HB THR A 325 5.999 -8.795 -2.194 1.00 0.00 H new ATOM 0 HG1 THR A 325 5.199 -11.017 -0.918 1.00 0.00 H new ATOM 0 HG21 THR A 325 7.295 -10.880 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 325 8.187 -9.465 -1.256 1.00 0.00 H new ATOM 0 HG23 THR A 325 7.367 -10.558 -0.115 1.00 0.00 H new ATOM 629 N ILE A 326 8.060 -7.333 0.978 1.00 0.00 N ATOM 630 CA ILE A 326 9.409 -6.686 1.038 1.00 0.00 C ATOM 631 C ILE A 326 10.304 -7.510 1.973 1.00 0.00 C ATOM 632 O ILE A 326 9.861 -8.016 2.983 1.00 0.00 O ATOM 633 CB ILE A 326 9.281 -5.252 1.575 1.00 0.00 C ATOM 634 CG1 ILE A 326 8.712 -4.352 0.476 1.00 0.00 C ATOM 635 CG2 ILE A 326 10.661 -4.725 1.998 1.00 0.00 C ATOM 636 CD1 ILE A 326 8.366 -2.987 1.068 1.00 0.00 C ATOM 0 H ILE A 326 7.710 -7.676 1.873 1.00 0.00 H new ATOM 0 HA ILE A 326 9.845 -6.647 0.040 1.00 0.00 H new ATOM 0 HB ILE A 326 8.616 -5.250 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 326 9.438 -4.238 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 326 7.823 -4.808 0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 326 10.561 -3.708 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 326 11.071 -5.365 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 326 11.331 -4.727 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 326 7.960 -2.344 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 326 7.625 -3.110 1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 326 9.265 -2.532 1.482 1.00 0.00 H new ATOM 648 N ASP A 327 11.562 -7.640 1.636 1.00 0.00 N ATOM 649 CA ASP A 327 12.505 -8.423 2.493 1.00 0.00 C ATOM 650 C ASP A 327 11.834 -9.709 2.979 1.00 0.00 C ATOM 651 O ASP A 327 12.147 -10.225 4.034 1.00 0.00 O ATOM 652 CB ASP A 327 12.920 -7.581 3.700 1.00 0.00 C ATOM 653 CG ASP A 327 13.941 -8.355 4.537 1.00 0.00 C ATOM 654 OD1 ASP A 327 15.094 -8.394 4.141 1.00 0.00 O ATOM 655 OD2 ASP A 327 13.551 -8.894 5.559 1.00 0.00 O ATOM 0 H ASP A 327 11.980 -7.235 0.798 1.00 0.00 H new ATOM 0 HA ASP A 327 13.385 -8.681 1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 327 13.349 -6.636 3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 327 12.046 -7.339 4.305 1.00 0.00 H new ATOM 660 N GLY A 328 10.917 -10.231 2.218 1.00 0.00 N ATOM 661 CA GLY A 328 10.228 -11.484 2.635 1.00 0.00 C ATOM 662 C GLY A 328 9.175 -11.161 3.696 1.00 0.00 C ATOM 663 O GLY A 328 8.026 -11.534 3.575 1.00 0.00 O ATOM 0 H GLY A 328 10.613 -9.845 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 328 9.757 -11.956 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 328 10.953 -12.195 3.032 1.00 0.00 H new ATOM 667 N GLU A 329 9.555 -10.469 4.736 1.00 0.00 N ATOM 668 CA GLU A 329 8.569 -10.129 5.799 1.00 0.00 C ATOM 669 C GLU A 329 7.383 -9.400 5.162 1.00 0.00 C ATOM 670 O GLU A 329 7.531 -8.376 4.526 1.00 0.00 O ATOM 671 CB GLU A 329 9.242 -9.234 6.862 1.00 0.00 C ATOM 672 CG GLU A 329 9.739 -10.095 8.027 1.00 0.00 C ATOM 673 CD GLU A 329 10.427 -9.210 9.068 1.00 0.00 C ATOM 674 OE1 GLU A 329 11.539 -8.781 8.810 1.00 0.00 O ATOM 675 OE2 GLU A 329 9.829 -8.975 10.106 1.00 0.00 O ATOM 0 H GLU A 329 10.502 -10.126 4.894 1.00 0.00 H new ATOM 0 HA GLU A 329 8.214 -11.038 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 329 10.076 -8.691 6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 329 8.534 -8.489 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 329 8.902 -10.625 8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 329 10.434 -10.851 7.662 1.00 0.00 H new ATOM 682 N THR A 330 6.205 -9.932 5.330 1.00 0.00 N ATOM 683 CA THR A 330 4.995 -9.289 4.736 1.00 0.00 C ATOM 684 C THR A 330 4.439 -8.235 5.697 1.00 0.00 C ATOM 685 O THR A 330 4.427 -8.422 6.898 1.00 0.00 O ATOM 686 CB THR A 330 3.929 -10.357 4.478 1.00 0.00 C ATOM 687 OG1 THR A 330 2.766 -9.743 3.940 1.00 0.00 O ATOM 688 CG2 THR A 330 3.576 -11.062 5.789 1.00 0.00 C ATOM 0 H THR A 330 6.025 -10.788 5.855 1.00 0.00 H new ATOM 0 HA THR A 330 5.268 -8.807 3.797 1.00 0.00 H new ATOM 0 HB THR A 330 4.316 -11.090 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 330 2.083 -10.426 3.773 1.00 0.00 H new ATOM 0 HG21 THR A 330 2.817 -11.821 5.601 1.00 0.00 H new ATOM 0 HG22 THR A 330 4.468 -11.535 6.200 1.00 0.00 H new ATOM 0 HG23 THR A 330 3.191 -10.333 6.502 1.00 0.00 H new ATOM 696 N LYS A 331 3.967 -7.130 5.172 1.00 0.00 N ATOM 697 CA LYS A 331 3.391 -6.050 6.037 1.00 0.00 C ATOM 698 C LYS A 331 2.068 -5.597 5.406 1.00 0.00 C ATOM 699 O LYS A 331 1.867 -5.742 4.216 1.00 0.00 O ATOM 700 CB LYS A 331 4.397 -4.872 6.118 1.00 0.00 C ATOM 701 CG LYS A 331 4.652 -4.474 7.582 1.00 0.00 C ATOM 702 CD LYS A 331 3.391 -3.841 8.177 1.00 0.00 C ATOM 703 CE LYS A 331 3.745 -3.151 9.495 1.00 0.00 C ATOM 704 NZ LYS A 331 4.653 -4.029 10.284 1.00 0.00 N ATOM 0 H LYS A 331 3.956 -6.928 4.172 1.00 0.00 H new ATOM 0 HA LYS A 331 3.207 -6.411 7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 331 5.337 -5.157 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 331 4.008 -4.016 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 331 4.937 -5.352 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 331 5.483 -3.771 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 331 2.968 -3.120 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 331 2.632 -4.605 8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 331 4.227 -2.193 9.299 1.00 0.00 H new ATOM 0 HE3 LYS A 331 2.839 -2.941 10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 4.628 -3.745 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 4.342 -5.018 10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 5.624 -3.938 9.923 1.00 0.00 H new ATOM 718 N VAL A 332 1.154 -5.068 6.187 1.00 0.00 N ATOM 719 CA VAL A 332 -0.159 -4.629 5.613 1.00 0.00 C ATOM 720 C VAL A 332 -0.606 -3.309 6.243 1.00 0.00 C ATOM 721 O VAL A 332 -0.170 -2.935 7.313 1.00 0.00 O ATOM 722 CB VAL A 332 -1.210 -5.712 5.879 1.00 0.00 C ATOM 723 CG1 VAL A 332 -2.360 -5.565 4.883 1.00 0.00 C ATOM 724 CG2 VAL A 332 -0.573 -7.092 5.708 1.00 0.00 C ATOM 0 H VAL A 332 1.260 -4.922 7.191 1.00 0.00 H new ATOM 0 HA VAL A 332 -0.046 -4.478 4.540 1.00 0.00 H new ATOM 0 HB VAL A 332 -1.589 -5.604 6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 332 -3.107 -6.336 5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 332 -2.816 -4.582 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 332 -1.978 -5.673 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 332 -1.320 -7.863 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 332 -0.195 -7.195 4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 332 0.250 -7.203 6.414 1.00 0.00 H new ATOM 734 N PHE A 333 -1.475 -2.598 5.569 1.00 0.00 N ATOM 735 CA PHE A 333 -1.964 -1.290 6.095 1.00 0.00 C ATOM 736 C PHE A 333 -3.447 -1.124 5.758 1.00 0.00 C ATOM 737 O PHE A 333 -3.866 -1.363 4.642 1.00 0.00 O ATOM 738 CB PHE A 333 -1.157 -0.173 5.440 1.00 0.00 C ATOM 739 CG PHE A 333 0.309 -0.499 5.568 1.00 0.00 C ATOM 740 CD1 PHE A 333 0.950 -1.249 4.578 1.00 0.00 C ATOM 741 CD2 PHE A 333 1.024 -0.060 6.685 1.00 0.00 C ATOM 742 CE1 PHE A 333 2.309 -1.559 4.705 1.00 0.00 C ATOM 743 CE2 PHE A 333 2.382 -0.367 6.813 1.00 0.00 C ATOM 744 CZ PHE A 333 3.026 -1.116 5.822 1.00 0.00 C ATOM 0 H PHE A 333 -1.869 -2.872 4.669 1.00 0.00 H new ATOM 0 HA PHE A 333 -1.842 -1.251 7.177 1.00 0.00 H new ATOM 0 HB2 PHE A 333 -1.432 -0.074 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 333 -1.375 0.782 5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 333 0.397 -1.589 3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 333 0.527 0.517 7.451 1.00 0.00 H new ATOM 0 HE1 PHE A 333 2.804 -2.140 3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 333 2.934 -0.026 7.677 1.00 0.00 H new ATOM 0 HZ PHE A 333 4.075 -1.352 5.919 1.00 0.00 H new ATOM 754 N HIS A 334 -4.245 -0.716 6.714 1.00 0.00 N ATOM 755 CA HIS A 334 -5.711 -0.532 6.460 1.00 0.00 C ATOM 756 C HIS A 334 -6.015 0.964 6.289 1.00 0.00 C ATOM 757 O HIS A 334 -7.140 1.351 6.038 1.00 0.00 O ATOM 758 CB HIS A 334 -6.510 -1.109 7.650 1.00 0.00 C ATOM 759 CG HIS A 334 -7.847 -1.625 7.171 1.00 0.00 C ATOM 760 ND1 HIS A 334 -8.550 -2.616 7.838 1.00 0.00 N ATOM 761 CD2 HIS A 334 -8.603 -1.304 6.075 1.00 0.00 C ATOM 762 CE1 HIS A 334 -9.676 -2.855 7.134 1.00 0.00 C ATOM 763 NE2 HIS A 334 -9.756 -2.079 6.053 1.00 0.00 N ATOM 0 H HIS A 334 -3.944 -0.501 7.665 1.00 0.00 H new ATOM 0 HA HIS A 334 -6.000 -1.057 5.550 1.00 0.00 H new ATOM 0 HB2 HIS A 334 -5.947 -1.915 8.121 1.00 0.00 H new ATOM 0 HB3 HIS A 334 -6.658 -0.339 8.407 1.00 0.00 H new ATOM 0 HD1 HIS A 334 -8.268 -3.079 8.702 1.00 0.00 H new ATOM 0 HD2 HIS A 334 -8.342 -0.559 5.338 1.00 0.00 H new ATOM 0 HE1 HIS A 334 -10.421 -3.586 7.412 1.00 0.00 H new ATOM 771 N ASP A 335 -5.017 1.805 6.422 1.00 0.00 N ATOM 772 CA ASP A 335 -5.227 3.281 6.266 1.00 0.00 C ATOM 773 C ASP A 335 -4.132 3.854 5.361 1.00 0.00 C ATOM 774 O ASP A 335 -2.968 3.542 5.511 1.00 0.00 O ATOM 775 CB ASP A 335 -5.151 3.952 7.641 1.00 0.00 C ATOM 776 CG ASP A 335 -6.435 3.668 8.423 1.00 0.00 C ATOM 777 OD1 ASP A 335 -6.901 2.542 8.370 1.00 0.00 O ATOM 778 OD2 ASP A 335 -6.930 4.581 9.062 1.00 0.00 O ATOM 0 H ASP A 335 -4.058 1.530 6.634 1.00 0.00 H new ATOM 0 HA ASP A 335 -6.205 3.468 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 335 -4.288 3.578 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 335 -5.014 5.027 7.525 1.00 0.00 H new ATOM 783 N LYS A 336 -4.493 4.683 4.416 1.00 0.00 N ATOM 784 CA LYS A 336 -3.466 5.261 3.501 1.00 0.00 C ATOM 785 C LYS A 336 -2.382 5.972 4.313 1.00 0.00 C ATOM 786 O LYS A 336 -1.236 6.035 3.913 1.00 0.00 O ATOM 787 CB LYS A 336 -4.134 6.252 2.535 1.00 0.00 C ATOM 788 CG LYS A 336 -4.527 7.538 3.279 1.00 0.00 C ATOM 789 CD LYS A 336 -5.459 8.399 2.399 1.00 0.00 C ATOM 790 CE LYS A 336 -6.920 7.987 2.616 1.00 0.00 C ATOM 791 NZ LYS A 336 -7.306 8.269 4.027 1.00 0.00 N ATOM 0 H LYS A 336 -5.452 4.984 4.239 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.005 4.457 2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -3.452 6.490 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.018 5.796 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -5.027 7.287 4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -3.633 8.105 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -5.331 9.453 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -5.192 8.280 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -7.570 8.534 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -7.047 6.927 2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -8.322 8.486 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -7.104 7.436 4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -6.762 9.082 4.380 1.00 0.00 H new ATOM 805 N THR A 337 -2.729 6.510 5.448 1.00 0.00 N ATOM 806 CA THR A 337 -1.708 7.214 6.270 1.00 0.00 C ATOM 807 C THR A 337 -0.678 6.210 6.773 1.00 0.00 C ATOM 808 O THR A 337 0.510 6.369 6.573 1.00 0.00 O ATOM 809 CB THR A 337 -2.382 7.875 7.473 1.00 0.00 C ATOM 810 OG1 THR A 337 -3.291 8.868 7.019 1.00 0.00 O ATOM 811 CG2 THR A 337 -1.313 8.515 8.361 1.00 0.00 C ATOM 0 H THR A 337 -3.670 6.493 5.840 1.00 0.00 H new ATOM 0 HA THR A 337 -1.219 7.972 5.658 1.00 0.00 H new ATOM 0 HB THR A 337 -2.928 7.127 8.048 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.725 9.291 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 337 -1.789 8.988 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 337 -0.620 7.748 8.707 1.00 0.00 H new ATOM 0 HG23 THR A 337 -0.767 9.266 7.790 1.00 0.00 H new ATOM 819 N LYS A 338 -1.122 5.184 7.440 1.00 0.00 N ATOM 820 CA LYS A 338 -0.174 4.174 7.973 1.00 0.00 C ATOM 821 C LYS A 338 0.789 3.754 6.854 1.00 0.00 C ATOM 822 O LYS A 338 1.981 3.648 7.059 1.00 0.00 O ATOM 823 CB LYS A 338 -0.986 2.974 8.487 1.00 0.00 C ATOM 824 CG LYS A 338 -0.291 2.311 9.681 1.00 0.00 C ATOM 825 CD LYS A 338 -1.259 1.309 10.302 1.00 0.00 C ATOM 826 CE LYS A 338 -0.591 0.610 11.488 1.00 0.00 C ATOM 827 NZ LYS A 338 0.618 -0.125 11.017 1.00 0.00 N ATOM 0 H LYS A 338 -2.106 5.002 7.639 1.00 0.00 H new ATOM 0 HA LYS A 338 0.414 4.582 8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 338 -1.983 3.304 8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 338 -1.113 2.246 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 338 0.621 1.808 9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 338 0.001 3.062 10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 338 -2.164 1.820 10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 338 -1.562 0.573 9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 338 -0.312 1.343 12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 338 -1.291 -0.082 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 338 0.884 -0.843 11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 338 0.410 -0.590 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 338 1.404 0.544 10.891 1.00 0.00 H new ATOM 841 N PHE A 339 0.284 3.538 5.666 1.00 0.00 N ATOM 842 CA PHE A 339 1.185 3.155 4.541 1.00 0.00 C ATOM 843 C PHE A 339 2.161 4.303 4.290 1.00 0.00 C ATOM 844 O PHE A 339 3.358 4.150 4.397 1.00 0.00 O ATOM 845 CB PHE A 339 0.365 2.889 3.275 1.00 0.00 C ATOM 846 CG PHE A 339 1.296 2.517 2.142 1.00 0.00 C ATOM 847 CD1 PHE A 339 1.948 1.278 2.148 1.00 0.00 C ATOM 848 CD2 PHE A 339 1.510 3.410 1.086 1.00 0.00 C ATOM 849 CE1 PHE A 339 2.813 0.931 1.103 1.00 0.00 C ATOM 850 CE2 PHE A 339 2.375 3.064 0.039 1.00 0.00 C ATOM 851 CZ PHE A 339 3.028 1.822 0.048 1.00 0.00 C ATOM 0 H PHE A 339 -0.705 3.610 5.429 1.00 0.00 H new ATOM 0 HA PHE A 339 1.730 2.247 4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 339 -0.349 2.084 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 339 -0.213 3.775 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 339 1.783 0.587 2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 339 1.008 4.366 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 339 3.314 -0.026 1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 339 2.539 3.754 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 339 3.695 1.555 -0.758 1.00 0.00 H new ATOM 861 N THR A 340 1.657 5.463 3.964 1.00 0.00 N ATOM 862 CA THR A 340 2.558 6.629 3.719 1.00 0.00 C ATOM 863 C THR A 340 3.600 6.705 4.840 1.00 0.00 C ATOM 864 O THR A 340 4.765 6.956 4.604 1.00 0.00 O ATOM 865 CB THR A 340 1.733 7.918 3.699 1.00 0.00 C ATOM 866 OG1 THR A 340 0.718 7.813 2.710 1.00 0.00 O ATOM 867 CG2 THR A 340 2.639 9.106 3.375 1.00 0.00 C ATOM 0 H THR A 340 0.661 5.655 3.857 1.00 0.00 H new ATOM 0 HA THR A 340 3.061 6.508 2.759 1.00 0.00 H new ATOM 0 HB THR A 340 1.277 8.070 4.677 1.00 0.00 H new ATOM 0 HG1 THR A 340 -0.036 7.301 3.069 1.00 0.00 H new ATOM 0 HG21 THR A 340 2.048 10.022 3.362 1.00 0.00 H new ATOM 0 HG22 THR A 340 3.417 9.188 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 340 3.099 8.957 2.398 1.00 0.00 H new ATOM 875 N GLN A 341 3.186 6.476 6.055 1.00 0.00 N ATOM 876 CA GLN A 341 4.146 6.515 7.193 1.00 0.00 C ATOM 877 C GLN A 341 5.174 5.404 7.006 1.00 0.00 C ATOM 878 O GLN A 341 6.359 5.618 7.148 1.00 0.00 O ATOM 879 CB GLN A 341 3.388 6.302 8.506 1.00 0.00 C ATOM 880 CG GLN A 341 2.469 7.501 8.771 1.00 0.00 C ATOM 881 CD GLN A 341 3.291 8.675 9.311 1.00 0.00 C ATOM 882 OE1 GLN A 341 4.387 8.490 9.802 1.00 0.00 O ATOM 883 NE2 GLN A 341 2.802 9.883 9.242 1.00 0.00 N ATOM 0 H GLN A 341 2.221 6.263 6.309 1.00 0.00 H new ATOM 0 HA GLN A 341 4.649 7.481 7.224 1.00 0.00 H new ATOM 0 HB2 GLN A 341 2.800 5.385 8.454 1.00 0.00 H new ATOM 0 HB3 GLN A 341 4.093 6.182 9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 341 1.962 7.793 7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.695 7.226 9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 341 1.882 10.038 8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 341 3.340 10.672 9.600 1.00 0.00 H new ATOM 892 N TYR A 342 4.731 4.222 6.675 1.00 0.00 N ATOM 893 CA TYR A 342 5.696 3.100 6.467 1.00 0.00 C ATOM 894 C TYR A 342 6.829 3.579 5.554 1.00 0.00 C ATOM 895 O TYR A 342 7.983 3.261 5.761 1.00 0.00 O ATOM 896 CB TYR A 342 4.978 1.906 5.831 1.00 0.00 C ATOM 897 CG TYR A 342 5.987 0.831 5.497 1.00 0.00 C ATOM 898 CD1 TYR A 342 6.681 0.181 6.523 1.00 0.00 C ATOM 899 CD2 TYR A 342 6.225 0.485 4.163 1.00 0.00 C ATOM 900 CE1 TYR A 342 7.614 -0.816 6.215 1.00 0.00 C ATOM 901 CE2 TYR A 342 7.157 -0.512 3.854 1.00 0.00 C ATOM 902 CZ TYR A 342 7.851 -1.163 4.880 1.00 0.00 C ATOM 903 OH TYR A 342 8.770 -2.146 4.576 1.00 0.00 O ATOM 0 H TYR A 342 3.749 3.983 6.540 1.00 0.00 H new ATOM 0 HA TYR A 342 6.108 2.788 7.426 1.00 0.00 H new ATOM 0 HB2 TYR A 342 4.226 1.514 6.515 1.00 0.00 H new ATOM 0 HB3 TYR A 342 4.454 2.221 4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 342 6.497 0.448 7.553 1.00 0.00 H new ATOM 0 HD2 TYR A 342 5.689 0.987 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 342 8.151 -1.317 7.007 1.00 0.00 H new ATOM 0 HE2 TYR A 342 7.341 -0.779 2.824 1.00 0.00 H new ATOM 0 HH TYR A 342 8.806 -2.797 5.307 1.00 0.00 H new ATOM 913 N LEU A 343 6.515 4.353 4.548 1.00 0.00 N ATOM 914 CA LEU A 343 7.591 4.864 3.646 1.00 0.00 C ATOM 915 C LEU A 343 8.232 6.095 4.284 1.00 0.00 C ATOM 916 O LEU A 343 9.430 6.280 4.223 1.00 0.00 O ATOM 917 CB LEU A 343 7.019 5.260 2.279 1.00 0.00 C ATOM 918 CG LEU A 343 5.928 4.289 1.830 1.00 0.00 C ATOM 919 CD1 LEU A 343 5.320 4.824 0.536 1.00 0.00 C ATOM 920 CD2 LEU A 343 6.527 2.905 1.567 1.00 0.00 C ATOM 0 H LEU A 343 5.569 4.652 4.313 1.00 0.00 H new ATOM 0 HA LEU A 343 8.328 4.074 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 343 6.611 6.269 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 343 7.819 5.278 1.539 1.00 0.00 H new ATOM 0 HG LEU A 343 5.170 4.201 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 343 4.537 4.147 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 343 4.893 5.811 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 343 6.095 4.897 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 343 5.739 2.222 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 343 7.283 2.978 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 343 6.986 2.528 2.481 1.00 0.00 H new ATOM 932 N SER A 344 7.448 6.943 4.889 1.00 0.00 N ATOM 933 CA SER A 344 8.028 8.155 5.526 1.00 0.00 C ATOM 934 C SER A 344 9.209 7.729 6.395 1.00 0.00 C ATOM 935 O SER A 344 10.134 8.483 6.622 1.00 0.00 O ATOM 936 CB SER A 344 6.968 8.839 6.391 1.00 0.00 C ATOM 937 OG SER A 344 7.375 10.172 6.666 1.00 0.00 O ATOM 0 H SER A 344 6.436 6.849 4.969 1.00 0.00 H new ATOM 0 HA SER A 344 8.363 8.856 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 344 6.007 8.839 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 344 6.831 8.289 7.322 1.00 0.00 H new ATOM 0 HG SER A 344 6.697 10.614 7.219 1.00 0.00 H new ATOM 943 N THR A 345 9.182 6.508 6.870 1.00 0.00 N ATOM 944 CA THR A 345 10.298 5.996 7.717 1.00 0.00 C ATOM 945 C THR A 345 11.238 5.143 6.855 1.00 0.00 C ATOM 946 O THR A 345 12.224 4.616 7.332 1.00 0.00 O ATOM 947 CB THR A 345 9.725 5.175 8.884 1.00 0.00 C ATOM 948 OG1 THR A 345 10.783 4.775 9.743 1.00 0.00 O ATOM 949 CG2 THR A 345 8.985 3.936 8.373 1.00 0.00 C ATOM 0 H THR A 345 8.428 5.841 6.705 1.00 0.00 H new ATOM 0 HA THR A 345 10.865 6.830 8.131 1.00 0.00 H new ATOM 0 HB THR A 345 9.016 5.798 9.430 1.00 0.00 H new ATOM 0 HG1 THR A 345 11.595 4.628 9.215 1.00 0.00 H new ATOM 0 HG21 THR A 345 8.590 3.374 9.219 1.00 0.00 H new ATOM 0 HG22 THR A 345 8.163 4.244 7.726 1.00 0.00 H new ATOM 0 HG23 THR A 345 9.674 3.307 7.809 1.00 0.00 H new ATOM 957 N ASN A 346 10.947 5.009 5.580 1.00 0.00 N ATOM 958 CA ASN A 346 11.825 4.201 4.680 1.00 0.00 C ATOM 959 C ASN A 346 11.910 4.910 3.328 1.00 0.00 C ATOM 960 O ASN A 346 11.333 4.476 2.350 1.00 0.00 O ATOM 961 CB ASN A 346 11.230 2.802 4.496 1.00 0.00 C ATOM 962 CG ASN A 346 12.116 1.988 3.550 1.00 0.00 C ATOM 963 OD1 ASN A 346 11.804 1.914 2.285 1.00 0.00 O flip ATOM 964 ND2 ASN A 346 13.102 1.414 3.966 1.00 0.00 N flip ATOM 0 H ASN A 346 10.135 5.428 5.126 1.00 0.00 H new ATOM 0 HA ASN A 346 12.820 4.103 5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 346 11.152 2.299 5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 346 10.220 2.875 4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 346 13.346 1.471 4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 346 13.686 0.874 3.327 1.00 0.00 H new ATOM 971 N PRO A 347 12.615 6.011 3.287 1.00 0.00 N ATOM 972 CA PRO A 347 12.775 6.831 2.051 1.00 0.00 C ATOM 973 C PRO A 347 13.103 5.988 0.813 1.00 0.00 C ATOM 974 O PRO A 347 12.698 6.311 -0.283 1.00 0.00 O ATOM 975 CB PRO A 347 13.933 7.773 2.397 1.00 0.00 C ATOM 976 CG PRO A 347 13.849 7.941 3.879 1.00 0.00 C ATOM 977 CD PRO A 347 13.345 6.601 4.424 1.00 0.00 C ATOM 0 HA PRO A 347 11.853 7.349 1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 347 14.892 7.349 2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 347 13.834 8.729 1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 347 14.823 8.193 4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 347 13.169 8.751 4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 347 14.169 5.964 4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 347 12.695 6.740 5.288 1.00 0.00 H new ATOM 985 N ALA A 348 13.833 4.914 0.982 1.00 0.00 N ATOM 986 CA ALA A 348 14.195 4.051 -0.186 1.00 0.00 C ATOM 987 C ALA A 348 12.989 3.891 -1.120 1.00 0.00 C ATOM 988 O ALA A 348 13.100 4.042 -2.323 1.00 0.00 O ATOM 989 CB ALA A 348 14.632 2.674 0.317 1.00 0.00 C ATOM 0 H ALA A 348 14.195 4.596 1.881 1.00 0.00 H new ATOM 0 HA ALA A 348 15.011 4.521 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.896 2.044 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 348 15.497 2.783 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.814 2.213 0.871 1.00 0.00 H new ATOM 995 N LEU A 349 11.840 3.599 -0.580 1.00 0.00 N ATOM 996 CA LEU A 349 10.637 3.442 -1.446 1.00 0.00 C ATOM 997 C LEU A 349 10.178 4.820 -1.936 1.00 0.00 C ATOM 998 O LEU A 349 9.974 5.032 -3.112 1.00 0.00 O ATOM 999 CB LEU A 349 9.500 2.798 -0.648 1.00 0.00 C ATOM 1000 CG LEU A 349 9.719 1.283 -0.524 1.00 0.00 C ATOM 1001 CD1 LEU A 349 8.671 0.715 0.436 1.00 0.00 C ATOM 1002 CD2 LEU A 349 9.588 0.595 -1.904 1.00 0.00 C ATOM 0 H LEU A 349 11.681 3.463 0.418 1.00 0.00 H new ATOM 0 HA LEU A 349 10.892 2.808 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 349 9.446 3.246 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 349 8.547 2.994 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 349 10.723 1.095 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 349 8.813 -0.361 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 349 8.779 1.186 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 349 7.673 0.915 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 349 9.747 -0.478 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 349 8.591 0.774 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 349 10.334 1.003 -2.586 1.00 0.00 H new ATOM 1014 N GLN A 350 10.001 5.749 -1.032 1.00 0.00 N ATOM 1015 CA GLN A 350 9.530 7.115 -1.416 1.00 0.00 C ATOM 1016 C GLN A 350 10.219 7.592 -2.699 1.00 0.00 C ATOM 1017 O GLN A 350 9.575 8.037 -3.628 1.00 0.00 O ATOM 1018 CB GLN A 350 9.848 8.094 -0.285 1.00 0.00 C ATOM 1019 CG GLN A 350 9.113 7.666 0.986 1.00 0.00 C ATOM 1020 CD GLN A 350 9.170 8.799 2.012 1.00 0.00 C ATOM 1021 OE1 GLN A 350 9.970 8.763 2.928 1.00 0.00 O ATOM 1022 NE2 GLN A 350 8.351 9.807 1.901 1.00 0.00 N ATOM 0 H GLN A 350 10.164 5.619 -0.034 1.00 0.00 H new ATOM 0 HA GLN A 350 8.455 7.073 -1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 350 10.923 8.120 -0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 350 9.548 9.103 -0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 350 8.076 7.422 0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 350 9.569 6.765 1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 350 7.680 9.837 1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 350 8.381 10.566 2.582 1.00 0.00 H new ATOM 1031 N ARG A 351 11.519 7.513 -2.761 1.00 0.00 N ATOM 1032 CA ARG A 351 12.229 7.978 -3.989 1.00 0.00 C ATOM 1033 C ARG A 351 11.805 7.128 -5.183 1.00 0.00 C ATOM 1034 O ARG A 351 11.557 7.633 -6.260 1.00 0.00 O ATOM 1035 CB ARG A 351 13.743 7.839 -3.801 1.00 0.00 C ATOM 1036 CG ARG A 351 14.150 8.430 -2.454 1.00 0.00 C ATOM 1037 CD ARG A 351 15.653 8.239 -2.246 1.00 0.00 C ATOM 1038 NE ARG A 351 15.988 6.791 -2.350 1.00 0.00 N ATOM 1039 CZ ARG A 351 17.230 6.418 -2.500 1.00 0.00 C ATOM 1040 NH1 ARG A 351 18.177 7.312 -2.557 1.00 0.00 N ATOM 1041 NH2 ARG A 351 17.524 5.150 -2.595 1.00 0.00 N ATOM 0 H ARG A 351 12.119 7.149 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 351 11.973 9.023 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 351 14.030 6.789 -3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 351 14.268 8.351 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 351 13.899 9.490 -2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 351 13.596 7.945 -1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 351 16.209 8.807 -2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 351 15.948 8.622 -1.269 1.00 0.00 H new ATOM 0 HE ARG A 351 15.247 6.091 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 351 17.948 8.303 -2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 351 19.147 7.020 -2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 351 16.783 4.450 -2.552 1.00 0.00 H new ATOM 0 HH22 ARG A 351 18.495 4.859 -2.712 1.00 0.00 H new ATOM 1055 N ILE A 352 11.742 5.840 -5.011 1.00 0.00 N ATOM 1056 CA ILE A 352 11.361 4.964 -6.156 1.00 0.00 C ATOM 1057 C ILE A 352 9.858 5.067 -6.445 1.00 0.00 C ATOM 1058 O ILE A 352 9.456 5.443 -7.529 1.00 0.00 O ATOM 1059 CB ILE A 352 11.718 3.514 -5.834 1.00 0.00 C ATOM 1060 CG1 ILE A 352 13.202 3.421 -5.465 1.00 0.00 C ATOM 1061 CG2 ILE A 352 11.444 2.652 -7.063 1.00 0.00 C ATOM 1062 CD1 ILE A 352 13.508 2.020 -4.930 1.00 0.00 C ATOM 0 H ILE A 352 11.936 5.356 -4.134 1.00 0.00 H new ATOM 0 HA ILE A 352 11.909 5.293 -7.039 1.00 0.00 H new ATOM 0 HB ILE A 352 11.117 3.164 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 352 13.819 3.631 -6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 352 13.448 4.171 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 352 11.696 1.615 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 352 10.389 2.721 -7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 352 12.051 3.004 -7.897 1.00 0.00 H new ATOM 0 HD11 ILE A 352 14.564 1.953 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 352 12.901 1.828 -4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 352 13.277 1.280 -5.696 1.00 0.00 H new ATOM 1074 N ILE A 353 9.022 4.731 -5.501 1.00 0.00 N ATOM 1075 CA ILE A 353 7.556 4.810 -5.750 1.00 0.00 C ATOM 1076 C ILE A 353 7.182 6.235 -6.162 1.00 0.00 C ATOM 1077 O ILE A 353 6.034 6.531 -6.432 1.00 0.00 O ATOM 1078 CB ILE A 353 6.805 4.430 -4.469 1.00 0.00 C ATOM 1079 CG1 ILE A 353 7.069 5.487 -3.358 1.00 0.00 C ATOM 1080 CG2 ILE A 353 7.279 3.046 -4.007 1.00 0.00 C ATOM 1081 CD1 ILE A 353 5.866 6.431 -3.219 1.00 0.00 C ATOM 0 H ILE A 353 9.290 4.407 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 353 7.283 4.122 -6.550 1.00 0.00 H new ATOM 0 HB ILE A 353 5.734 4.402 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 353 7.258 4.986 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 353 7.964 6.061 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 353 6.751 2.766 -3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 353 7.073 2.312 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 353 8.351 3.075 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.067 7.164 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 353 5.696 6.946 -4.165 1.00 0.00 H new ATOM 0 HD13 ILE A 353 4.979 5.854 -2.956 1.00 0.00 H new