USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 486 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 379 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 380 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 361 LYS NZ :NH3+ -140:sc= 0.324 (180deg=0) USER MOD Set 2.2: A 362 TYR OH : rot 180:sc= 0.0291 USER MOD Single : A 358 THR OG1 : rot 90:sc= 0.891 USER MOD Single : A 360 THR OG1 : rot -12:sc= -2.29! USER MOD Single : A 371 THR OG1 : rot 107:sc= -0.0944 USER MOD Single : A 386 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 389 MET CE :methyl -124:sc= -11.8! (180deg=-17.6!) USER MOD Single : A 390 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ -154:sc= 0.638 (180deg=0.399) USER MOD Single : A 412 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.6!) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 354 -12.109 3.835 -17.746 1.00 0.00 N ATOM 44 CA ALA A 354 -12.002 2.379 -17.448 1.00 0.00 C ATOM 45 C ALA A 354 -10.651 2.094 -16.791 1.00 0.00 C ATOM 46 O ALA A 354 -10.536 1.249 -15.925 1.00 0.00 O ATOM 47 CB ALA A 354 -12.115 1.584 -18.750 1.00 0.00 C ATOM 0 HA ALA A 354 -12.805 2.084 -16.772 1.00 0.00 H new ATOM 0 HB1 ALA A 354 -12.037 0.519 -18.534 1.00 0.00 H new ATOM 0 HB2 ALA A 354 -13.077 1.789 -19.219 1.00 0.00 H new ATOM 0 HB3 ALA A 354 -11.312 1.877 -19.426 1.00 0.00 H new ATOM 53 N ALA A 355 -9.625 2.790 -17.197 1.00 0.00 N ATOM 54 CA ALA A 355 -8.282 2.560 -16.598 1.00 0.00 C ATOM 55 C ALA A 355 -8.320 2.907 -15.108 1.00 0.00 C ATOM 56 O ALA A 355 -7.644 2.299 -14.302 1.00 0.00 O ATOM 57 CB ALA A 355 -7.253 3.442 -17.306 1.00 0.00 C ATOM 0 H ALA A 355 -9.660 3.509 -17.919 1.00 0.00 H new ATOM 0 HA ALA A 355 -8.004 1.513 -16.716 1.00 0.00 H new ATOM 0 HB1 ALA A 355 -6.269 3.275 -16.869 1.00 0.00 H new ATOM 0 HB2 ALA A 355 -7.227 3.191 -18.366 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -7.529 4.490 -17.188 1.00 0.00 H new ATOM 63 N ILE A 356 -9.109 3.877 -14.736 1.00 0.00 N ATOM 64 CA ILE A 356 -9.193 4.259 -13.298 1.00 0.00 C ATOM 65 C ILE A 356 -9.941 3.171 -12.531 1.00 0.00 C ATOM 66 O ILE A 356 -9.548 2.770 -11.454 1.00 0.00 O ATOM 67 CB ILE A 356 -9.943 5.587 -13.164 1.00 0.00 C ATOM 68 CG1 ILE A 356 -9.267 6.645 -14.038 1.00 0.00 C ATOM 69 CG2 ILE A 356 -9.920 6.040 -11.703 1.00 0.00 C ATOM 70 CD1 ILE A 356 -7.774 6.695 -13.711 1.00 0.00 C ATOM 0 H ILE A 356 -9.699 4.421 -15.365 1.00 0.00 H new ATOM 0 HA ILE A 356 -8.188 4.369 -12.890 1.00 0.00 H new ATOM 0 HB ILE A 356 -10.976 5.456 -13.487 1.00 0.00 H new ATOM 0 HG12 ILE A 356 -9.412 6.409 -15.092 1.00 0.00 H new ATOM 0 HG13 ILE A 356 -9.721 7.620 -13.865 1.00 0.00 H new ATOM 0 HG21 ILE A 356 -10.454 6.985 -11.607 1.00 0.00 H new ATOM 0 HG22 ILE A 356 -10.402 5.286 -11.081 1.00 0.00 H new ATOM 0 HG23 ILE A 356 -8.888 6.172 -11.379 1.00 0.00 H new ATOM 0 HD11 ILE A 356 -7.290 7.448 -14.333 1.00 0.00 H new ATOM 0 HD12 ILE A 356 -7.640 6.951 -12.660 1.00 0.00 H new ATOM 0 HD13 ILE A 356 -7.326 5.721 -13.907 1.00 0.00 H new ATOM 82 N ASP A 357 -11.019 2.688 -13.082 1.00 0.00 N ATOM 83 CA ASP A 357 -11.794 1.622 -12.392 1.00 0.00 C ATOM 84 C ASP A 357 -11.025 0.305 -12.482 1.00 0.00 C ATOM 85 O ASP A 357 -10.979 -0.464 -11.543 1.00 0.00 O ATOM 86 CB ASP A 357 -13.159 1.466 -13.065 1.00 0.00 C ATOM 87 CG ASP A 357 -14.004 2.716 -12.804 1.00 0.00 C ATOM 88 OD1 ASP A 357 -13.621 3.498 -11.950 1.00 0.00 O ATOM 89 OD2 ASP A 357 -15.020 2.868 -13.463 1.00 0.00 O ATOM 0 H ASP A 357 -11.397 2.986 -13.981 1.00 0.00 H new ATOM 0 HA ASP A 357 -11.938 1.891 -11.346 1.00 0.00 H new ATOM 0 HB2 ASP A 357 -13.033 1.317 -14.137 1.00 0.00 H new ATOM 0 HB3 ASP A 357 -13.668 0.583 -12.678 1.00 0.00 H new ATOM 94 N THR A 358 -10.411 0.041 -13.604 1.00 0.00 N ATOM 95 CA THR A 358 -9.639 -1.224 -13.742 1.00 0.00 C ATOM 96 C THR A 358 -8.643 -1.319 -12.589 1.00 0.00 C ATOM 97 O THR A 358 -8.669 -2.245 -11.804 1.00 0.00 O ATOM 98 CB THR A 358 -8.887 -1.222 -15.075 1.00 0.00 C ATOM 99 OG1 THR A 358 -9.810 -1.020 -16.136 1.00 0.00 O ATOM 100 CG2 THR A 358 -8.175 -2.562 -15.262 1.00 0.00 C ATOM 0 H THR A 358 -10.411 0.644 -14.426 1.00 0.00 H new ATOM 0 HA THR A 358 -10.316 -2.078 -13.717 1.00 0.00 H new ATOM 0 HB THR A 358 -8.150 -0.419 -15.077 1.00 0.00 H new ATOM 0 HG1 THR A 358 -9.905 -0.060 -16.309 1.00 0.00 H new ATOM 0 HG21 THR A 358 -7.640 -2.560 -16.211 1.00 0.00 H new ATOM 0 HG22 THR A 358 -7.468 -2.715 -14.447 1.00 0.00 H new ATOM 0 HG23 THR A 358 -8.909 -3.367 -15.261 1.00 0.00 H new ATOM 108 N PHE A 359 -7.773 -0.358 -12.477 1.00 0.00 N ATOM 109 CA PHE A 359 -6.781 -0.375 -11.368 1.00 0.00 C ATOM 110 C PHE A 359 -7.527 -0.515 -10.041 1.00 0.00 C ATOM 111 O PHE A 359 -7.119 -1.247 -9.161 1.00 0.00 O ATOM 112 CB PHE A 359 -5.984 0.933 -11.375 1.00 0.00 C ATOM 113 CG PHE A 359 -5.099 0.989 -12.600 1.00 0.00 C ATOM 114 CD1 PHE A 359 -4.850 -0.173 -13.345 1.00 0.00 C ATOM 115 CD2 PHE A 359 -4.524 2.204 -12.992 1.00 0.00 C ATOM 116 CE1 PHE A 359 -4.028 -0.117 -14.476 1.00 0.00 C ATOM 117 CE2 PHE A 359 -3.702 2.260 -14.123 1.00 0.00 C ATOM 118 CZ PHE A 359 -3.455 1.099 -14.866 1.00 0.00 C ATOM 0 H PHE A 359 -7.705 0.441 -13.107 1.00 0.00 H new ATOM 0 HA PHE A 359 -6.095 -1.212 -11.496 1.00 0.00 H new ATOM 0 HB2 PHE A 359 -6.665 1.784 -11.368 1.00 0.00 H new ATOM 0 HB3 PHE A 359 -5.376 1.004 -10.473 1.00 0.00 H new ATOM 0 HD1 PHE A 359 -5.293 -1.111 -13.046 1.00 0.00 H new ATOM 0 HD2 PHE A 359 -4.715 3.100 -12.420 1.00 0.00 H new ATOM 0 HE1 PHE A 359 -3.836 -1.012 -15.048 1.00 0.00 H new ATOM 0 HE2 PHE A 359 -3.258 3.198 -14.423 1.00 0.00 H new ATOM 0 HZ PHE A 359 -2.822 1.142 -15.740 1.00 0.00 H new ATOM 128 N THR A 360 -8.628 0.173 -9.897 1.00 0.00 N ATOM 129 CA THR A 360 -9.409 0.071 -8.634 1.00 0.00 C ATOM 130 C THR A 360 -9.999 -1.334 -8.528 1.00 0.00 C ATOM 131 O THR A 360 -10.212 -1.852 -7.450 1.00 0.00 O ATOM 132 CB THR A 360 -10.539 1.100 -8.641 1.00 0.00 C ATOM 133 OG1 THR A 360 -11.481 0.760 -9.649 1.00 0.00 O ATOM 134 CG2 THR A 360 -9.963 2.488 -8.923 1.00 0.00 C ATOM 0 H THR A 360 -9.019 0.800 -10.600 1.00 0.00 H new ATOM 0 HA THR A 360 -8.756 0.264 -7.783 1.00 0.00 H new ATOM 0 HB THR A 360 -11.034 1.105 -7.670 1.00 0.00 H new ATOM 0 HG1 THR A 360 -11.104 0.065 -10.228 1.00 0.00 H new ATOM 0 HG21 THR A 360 -10.769 3.222 -8.928 1.00 0.00 H new ATOM 0 HG22 THR A 360 -9.241 2.747 -8.148 1.00 0.00 H new ATOM 0 HG23 THR A 360 -9.468 2.486 -9.894 1.00 0.00 H new ATOM 142 N LYS A 361 -10.260 -1.956 -9.645 1.00 0.00 N ATOM 143 CA LYS A 361 -10.831 -3.330 -9.617 1.00 0.00 C ATOM 144 C LYS A 361 -9.708 -4.336 -9.367 1.00 0.00 C ATOM 145 O LYS A 361 -9.894 -5.341 -8.709 1.00 0.00 O ATOM 146 CB LYS A 361 -11.497 -3.633 -10.960 1.00 0.00 C ATOM 147 CG LYS A 361 -11.834 -5.123 -11.033 1.00 0.00 C ATOM 148 CD LYS A 361 -12.302 -5.473 -12.447 1.00 0.00 C ATOM 149 CE LYS A 361 -13.082 -6.788 -12.409 1.00 0.00 C ATOM 150 NZ LYS A 361 -12.164 -7.920 -12.717 1.00 0.00 N ATOM 0 H LYS A 361 -10.102 -1.571 -10.576 1.00 0.00 H new ATOM 0 HA LYS A 361 -11.572 -3.403 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 361 -12.403 -3.038 -11.072 1.00 0.00 H new ATOM 0 HB3 LYS A 361 -10.832 -3.358 -11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 361 -10.959 -5.718 -10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 361 -12.613 -5.366 -10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 361 -12.931 -4.675 -12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 361 -11.445 -5.564 -13.114 1.00 0.00 H new ATOM 0 HE2 LYS A 361 -13.532 -6.928 -11.426 1.00 0.00 H new ATOM 0 HE3 LYS A 361 -13.897 -6.760 -13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 361 -12.652 -8.606 -13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 361 -11.320 -7.559 -13.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 361 -11.878 -8.386 -11.832 1.00 0.00 H new ATOM 164 N TYR A 362 -8.543 -4.075 -9.893 1.00 0.00 N ATOM 165 CA TYR A 362 -7.404 -5.015 -9.693 1.00 0.00 C ATOM 166 C TYR A 362 -6.484 -4.487 -8.591 1.00 0.00 C ATOM 167 O TYR A 362 -6.436 -5.021 -7.501 1.00 0.00 O ATOM 168 CB TYR A 362 -6.619 -5.135 -11.001 1.00 0.00 C ATOM 169 CG TYR A 362 -7.450 -5.885 -12.015 1.00 0.00 C ATOM 170 CD1 TYR A 362 -8.373 -5.194 -12.809 1.00 0.00 C ATOM 171 CD2 TYR A 362 -7.299 -7.269 -12.160 1.00 0.00 C ATOM 172 CE1 TYR A 362 -9.144 -5.887 -13.750 1.00 0.00 C ATOM 173 CE2 TYR A 362 -8.071 -7.963 -13.100 1.00 0.00 C ATOM 174 CZ TYR A 362 -8.994 -7.271 -13.895 1.00 0.00 C ATOM 175 OH TYR A 362 -9.755 -7.954 -14.821 1.00 0.00 O ATOM 0 H TYR A 362 -8.330 -3.250 -10.454 1.00 0.00 H new ATOM 0 HA TYR A 362 -7.786 -5.993 -9.400 1.00 0.00 H new ATOM 0 HB2 TYR A 362 -6.369 -4.144 -11.380 1.00 0.00 H new ATOM 0 HB3 TYR A 362 -5.678 -5.657 -10.827 1.00 0.00 H new ATOM 0 HD1 TYR A 362 -8.490 -4.126 -12.696 1.00 0.00 H new ATOM 0 HD2 TYR A 362 -6.587 -7.802 -11.547 1.00 0.00 H new ATOM 0 HE1 TYR A 362 -9.855 -5.354 -14.364 1.00 0.00 H new ATOM 0 HE2 TYR A 362 -7.955 -9.031 -13.212 1.00 0.00 H new ATOM 0 HH TYR A 362 -9.526 -8.907 -14.794 1.00 0.00 H new ATOM 185 N LEU A 363 -5.749 -3.444 -8.866 1.00 0.00 N ATOM 186 CA LEU A 363 -4.827 -2.885 -7.836 1.00 0.00 C ATOM 187 C LEU A 363 -5.587 -2.647 -6.526 1.00 0.00 C ATOM 188 O LEU A 363 -4.993 -2.476 -5.480 1.00 0.00 O ATOM 189 CB LEU A 363 -4.255 -1.554 -8.335 1.00 0.00 C ATOM 190 CG LEU A 363 -3.148 -1.793 -9.378 1.00 0.00 C ATOM 191 CD1 LEU A 363 -2.903 -3.293 -9.572 1.00 0.00 C ATOM 192 CD2 LEU A 363 -3.571 -1.173 -10.711 1.00 0.00 C ATOM 0 H LEU A 363 -5.747 -2.954 -9.761 1.00 0.00 H new ATOM 0 HA LEU A 363 -4.018 -3.594 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 363 -5.051 -0.952 -8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 363 -3.853 -0.987 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 363 -2.226 -1.331 -9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 363 -2.117 -3.440 -10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 363 -2.597 -3.737 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 363 -3.821 -3.770 -9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 363 -2.791 -1.339 -11.454 1.00 0.00 H new ATOM 0 HD22 LEU A 363 -4.498 -1.635 -11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 363 -3.726 -0.102 -10.581 1.00 0.00 H new ATOM 204 N ASP A 364 -6.892 -2.631 -6.569 1.00 0.00 N ATOM 205 CA ASP A 364 -7.669 -2.401 -5.317 1.00 0.00 C ATOM 206 C ASP A 364 -7.316 -1.025 -4.757 1.00 0.00 C ATOM 207 O ASP A 364 -7.013 -0.871 -3.590 1.00 0.00 O ATOM 208 CB ASP A 364 -7.317 -3.478 -4.289 1.00 0.00 C ATOM 209 CG ASP A 364 -7.782 -4.843 -4.802 1.00 0.00 C ATOM 210 OD1 ASP A 364 -8.553 -4.868 -5.746 1.00 0.00 O ATOM 211 OD2 ASP A 364 -7.356 -5.839 -4.240 1.00 0.00 O ATOM 0 H ASP A 364 -7.451 -2.766 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 364 -8.736 -2.448 -5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 364 -6.241 -3.491 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 364 -7.793 -3.255 -3.334 1.00 0.00 H new ATOM 216 N ILE A 365 -7.347 -0.022 -5.588 1.00 0.00 N ATOM 217 CA ILE A 365 -7.009 1.352 -5.122 1.00 0.00 C ATOM 218 C ILE A 365 -8.184 2.288 -5.400 1.00 0.00 C ATOM 219 O ILE A 365 -9.269 1.858 -5.738 1.00 0.00 O ATOM 220 CB ILE A 365 -5.777 1.848 -5.879 1.00 0.00 C ATOM 221 CG1 ILE A 365 -5.942 1.545 -7.369 1.00 0.00 C ATOM 222 CG2 ILE A 365 -4.531 1.137 -5.350 1.00 0.00 C ATOM 223 CD1 ILE A 365 -4.931 2.365 -8.171 1.00 0.00 C ATOM 0 H ILE A 365 -7.593 -0.095 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 365 -6.803 1.336 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 365 -5.669 2.923 -5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 365 -5.792 0.481 -7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -6.956 1.784 -7.689 1.00 0.00 H new ATOM 0 HG21 ILE A 365 -3.653 1.491 -5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 365 -4.414 1.350 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 365 -4.637 0.062 -5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 365 -5.048 2.149 -9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 365 -5.103 3.427 -7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 365 -3.920 2.104 -7.857 1.00 0.00 H new ATOM 235 N ASP A 366 -7.974 3.568 -5.266 1.00 0.00 N ATOM 236 CA ASP A 366 -9.073 4.535 -5.529 1.00 0.00 C ATOM 237 C ASP A 366 -8.792 5.268 -6.842 1.00 0.00 C ATOM 238 O ASP A 366 -7.704 5.202 -7.377 1.00 0.00 O ATOM 239 CB ASP A 366 -9.155 5.547 -4.385 1.00 0.00 C ATOM 240 CG ASP A 366 -9.350 4.807 -3.060 1.00 0.00 C ATOM 241 OD1 ASP A 366 -9.775 3.663 -3.099 1.00 0.00 O ATOM 242 OD2 ASP A 366 -9.073 5.395 -2.028 1.00 0.00 O ATOM 0 H ASP A 366 -7.087 3.986 -4.985 1.00 0.00 H new ATOM 0 HA ASP A 366 -10.020 4.000 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 366 -8.244 6.145 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 366 -9.983 6.236 -4.554 1.00 0.00 H new ATOM 247 N GLU A 367 -9.762 5.964 -7.363 1.00 0.00 N ATOM 248 CA GLU A 367 -9.544 6.698 -8.641 1.00 0.00 C ATOM 249 C GLU A 367 -8.454 7.751 -8.440 1.00 0.00 C ATOM 250 O GLU A 367 -7.553 7.891 -9.243 1.00 0.00 O ATOM 251 CB GLU A 367 -10.846 7.378 -9.069 1.00 0.00 C ATOM 252 CG GLU A 367 -11.920 6.315 -9.306 1.00 0.00 C ATOM 253 CD GLU A 367 -13.191 6.984 -9.831 1.00 0.00 C ATOM 254 OE1 GLU A 367 -13.253 8.201 -9.799 1.00 0.00 O ATOM 255 OE2 GLU A 367 -14.082 6.266 -10.257 1.00 0.00 O ATOM 0 H GLU A 367 -10.695 6.057 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 367 -9.233 5.998 -9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 367 -11.174 8.077 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 367 -10.685 7.957 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 367 -11.563 5.575 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 367 -12.132 5.784 -8.378 1.00 0.00 H new ATOM 262 N ASP A 368 -8.534 8.494 -7.373 1.00 0.00 N ATOM 263 CA ASP A 368 -7.509 9.542 -7.112 1.00 0.00 C ATOM 264 C ASP A 368 -6.108 8.930 -7.205 1.00 0.00 C ATOM 265 O ASP A 368 -5.194 9.529 -7.735 1.00 0.00 O ATOM 266 CB ASP A 368 -7.719 10.120 -5.711 1.00 0.00 C ATOM 267 CG ASP A 368 -8.926 11.061 -5.726 1.00 0.00 C ATOM 268 OD1 ASP A 368 -9.444 11.310 -6.801 1.00 0.00 O ATOM 269 OD2 ASP A 368 -9.310 11.516 -4.662 1.00 0.00 O ATOM 0 H ASP A 368 -9.267 8.421 -6.668 1.00 0.00 H new ATOM 0 HA ASP A 368 -7.606 10.334 -7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 368 -7.880 9.315 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 368 -6.827 10.659 -5.390 1.00 0.00 H new ATOM 274 N PHE A 369 -5.932 7.742 -6.695 1.00 0.00 N ATOM 275 CA PHE A 369 -4.589 7.097 -6.757 1.00 0.00 C ATOM 276 C PHE A 369 -4.426 6.396 -8.106 1.00 0.00 C ATOM 277 O PHE A 369 -3.461 6.607 -8.814 1.00 0.00 O ATOM 278 CB PHE A 369 -4.458 6.071 -5.629 1.00 0.00 C ATOM 279 CG PHE A 369 -3.065 5.484 -5.636 1.00 0.00 C ATOM 280 CD1 PHE A 369 -2.755 4.426 -6.499 1.00 0.00 C ATOM 281 CD2 PHE A 369 -2.084 5.993 -4.776 1.00 0.00 C ATOM 282 CE1 PHE A 369 -1.467 3.878 -6.503 1.00 0.00 C ATOM 283 CE2 PHE A 369 -0.796 5.447 -4.781 1.00 0.00 C ATOM 284 CZ PHE A 369 -0.486 4.389 -5.643 1.00 0.00 C ATOM 0 H PHE A 369 -6.659 7.190 -6.239 1.00 0.00 H new ATOM 0 HA PHE A 369 -3.816 7.857 -6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 369 -4.659 6.545 -4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 369 -5.197 5.280 -5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 369 -3.511 4.032 -7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 369 -2.322 6.808 -4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 369 -1.229 3.062 -7.169 1.00 0.00 H new ATOM 0 HE2 PHE A 369 -0.040 5.842 -4.119 1.00 0.00 H new ATOM 0 HZ PHE A 369 0.508 3.967 -5.645 1.00 0.00 H new ATOM 294 N ALA A 370 -5.363 5.563 -8.470 1.00 0.00 N ATOM 295 CA ALA A 370 -5.261 4.855 -9.775 1.00 0.00 C ATOM 296 C ALA A 370 -4.945 5.869 -10.876 1.00 0.00 C ATOM 297 O ALA A 370 -4.009 5.707 -11.632 1.00 0.00 O ATOM 298 CB ALA A 370 -6.587 4.158 -10.085 1.00 0.00 C ATOM 0 H ALA A 370 -6.193 5.343 -7.920 1.00 0.00 H new ATOM 0 HA ALA A 370 -4.466 4.110 -9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -6.511 3.640 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.812 3.437 -9.299 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -7.384 4.899 -10.137 1.00 0.00 H new ATOM 304 N THR A 371 -5.721 6.914 -10.972 1.00 0.00 N ATOM 305 CA THR A 371 -5.461 7.934 -12.026 1.00 0.00 C ATOM 306 C THR A 371 -3.978 8.304 -12.019 1.00 0.00 C ATOM 307 O THR A 371 -3.371 8.471 -13.053 1.00 0.00 O ATOM 308 CB THR A 371 -6.298 9.188 -11.757 1.00 0.00 C ATOM 309 OG1 THR A 371 -7.616 8.809 -11.390 1.00 0.00 O ATOM 310 CG2 THR A 371 -6.344 10.049 -13.022 1.00 0.00 C ATOM 0 H THR A 371 -6.521 7.105 -10.368 1.00 0.00 H new ATOM 0 HA THR A 371 -5.734 7.522 -12.998 1.00 0.00 H new ATOM 0 HB THR A 371 -5.848 9.760 -10.945 1.00 0.00 H new ATOM 0 HG1 THR A 371 -7.743 8.955 -10.429 1.00 0.00 H new ATOM 0 HG21 THR A 371 -6.939 10.942 -12.833 1.00 0.00 H new ATOM 0 HG22 THR A 371 -5.331 10.340 -13.301 1.00 0.00 H new ATOM 0 HG23 THR A 371 -6.794 9.478 -13.834 1.00 0.00 H new ATOM 318 N VAL A 372 -3.389 8.438 -10.864 1.00 0.00 N ATOM 319 CA VAL A 372 -1.945 8.800 -10.806 1.00 0.00 C ATOM 320 C VAL A 372 -1.134 7.811 -11.645 1.00 0.00 C ATOM 321 O VAL A 372 -0.159 8.173 -12.274 1.00 0.00 O ATOM 322 CB VAL A 372 -1.467 8.751 -9.355 1.00 0.00 C ATOM 323 CG1 VAL A 372 0.040 9.013 -9.303 1.00 0.00 C ATOM 324 CG2 VAL A 372 -2.199 9.821 -8.545 1.00 0.00 C ATOM 0 H VAL A 372 -3.843 8.313 -9.959 1.00 0.00 H new ATOM 0 HA VAL A 372 -1.807 9.806 -11.201 1.00 0.00 H new ATOM 0 HB VAL A 372 -1.677 7.767 -8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 372 0.380 8.978 -8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 372 0.562 8.251 -9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 372 0.253 9.997 -9.722 1.00 0.00 H new ATOM 0 HG21 VAL A 372 -1.860 9.789 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 372 -1.987 10.804 -8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 372 -3.272 9.634 -8.582 1.00 0.00 H new ATOM 334 N LEU A 373 -1.533 6.569 -11.675 1.00 0.00 N ATOM 335 CA LEU A 373 -0.786 5.571 -12.489 1.00 0.00 C ATOM 336 C LEU A 373 -1.159 5.766 -13.957 1.00 0.00 C ATOM 337 O LEU A 373 -0.320 5.737 -14.835 1.00 0.00 O ATOM 338 CB LEU A 373 -1.164 4.156 -12.046 1.00 0.00 C ATOM 339 CG LEU A 373 -0.761 3.949 -10.582 1.00 0.00 C ATOM 340 CD1 LEU A 373 0.579 4.640 -10.313 1.00 0.00 C ATOM 341 CD2 LEU A 373 -1.835 4.543 -9.669 1.00 0.00 C ATOM 0 H LEU A 373 -2.342 6.204 -11.172 1.00 0.00 H new ATOM 0 HA LEU A 373 0.287 5.708 -12.354 1.00 0.00 H new ATOM 0 HB2 LEU A 373 -2.237 4.002 -12.163 1.00 0.00 H new ATOM 0 HB3 LEU A 373 -0.665 3.421 -12.678 1.00 0.00 H new ATOM 0 HG LEU A 373 -0.662 2.882 -10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 373 0.863 4.491 -9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 373 1.345 4.215 -10.962 1.00 0.00 H new ATOM 0 HD13 LEU A 373 0.485 5.707 -10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 373 -1.549 4.396 -8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 373 -1.935 5.609 -9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 373 -2.787 4.047 -9.857 1.00 0.00 H new ATOM 353 N VAL A 374 -2.417 5.982 -14.224 1.00 0.00 N ATOM 354 CA VAL A 374 -2.856 6.200 -15.627 1.00 0.00 C ATOM 355 C VAL A 374 -2.442 7.609 -16.051 1.00 0.00 C ATOM 356 O VAL A 374 -2.233 7.891 -17.214 1.00 0.00 O ATOM 357 CB VAL A 374 -4.377 6.070 -15.706 1.00 0.00 C ATOM 358 CG1 VAL A 374 -4.860 6.567 -17.069 1.00 0.00 C ATOM 359 CG2 VAL A 374 -4.767 4.603 -15.525 1.00 0.00 C ATOM 0 H VAL A 374 -3.161 6.017 -13.527 1.00 0.00 H new ATOM 0 HA VAL A 374 -2.397 5.462 -16.285 1.00 0.00 H new ATOM 0 HB VAL A 374 -4.839 6.668 -14.921 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -5.945 6.475 -17.126 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -4.577 7.612 -17.196 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -4.403 5.969 -17.857 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -5.851 4.505 -15.581 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -4.308 4.005 -16.312 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -4.420 4.252 -14.553 1.00 0.00 H new ATOM 369 N GLU A 375 -2.318 8.491 -15.098 1.00 0.00 N ATOM 370 CA GLU A 375 -1.912 9.888 -15.402 1.00 0.00 C ATOM 371 C GLU A 375 -0.437 9.900 -15.800 1.00 0.00 C ATOM 372 O GLU A 375 -0.029 10.599 -16.707 1.00 0.00 O ATOM 373 CB GLU A 375 -2.111 10.743 -14.147 1.00 0.00 C ATOM 374 CG GLU A 375 -3.593 11.091 -13.995 1.00 0.00 C ATOM 375 CD GLU A 375 -4.025 12.000 -15.147 1.00 0.00 C ATOM 376 OE1 GLU A 375 -3.155 12.573 -15.782 1.00 0.00 O ATOM 377 OE2 GLU A 375 -5.219 12.110 -15.373 1.00 0.00 O ATOM 0 H GLU A 375 -2.483 8.299 -14.110 1.00 0.00 H new ATOM 0 HA GLU A 375 -2.513 10.288 -16.218 1.00 0.00 H new ATOM 0 HB2 GLU A 375 -1.761 10.203 -13.267 1.00 0.00 H new ATOM 0 HB3 GLU A 375 -1.518 11.655 -14.218 1.00 0.00 H new ATOM 0 HG2 GLU A 375 -4.193 10.181 -13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 375 -3.764 11.589 -13.041 1.00 0.00 H new ATOM 384 N GLU A 376 0.364 9.125 -15.124 1.00 0.00 N ATOM 385 CA GLU A 376 1.813 9.075 -15.451 1.00 0.00 C ATOM 386 C GLU A 376 2.003 8.377 -16.799 1.00 0.00 C ATOM 387 O GLU A 376 2.889 8.707 -17.562 1.00 0.00 O ATOM 388 CB GLU A 376 2.547 8.292 -14.361 1.00 0.00 C ATOM 389 CG GLU A 376 2.498 9.080 -13.052 1.00 0.00 C ATOM 390 CD GLU A 376 3.413 10.302 -13.159 1.00 0.00 C ATOM 391 OE1 GLU A 376 4.191 10.353 -14.096 1.00 0.00 O ATOM 392 OE2 GLU A 376 3.316 11.166 -12.302 1.00 0.00 O ATOM 0 H GLU A 376 0.074 8.521 -14.355 1.00 0.00 H new ATOM 0 HA GLU A 376 2.215 10.087 -15.507 1.00 0.00 H new ATOM 0 HB2 GLU A 376 2.086 7.313 -14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 376 3.582 8.119 -14.656 1.00 0.00 H new ATOM 0 HG2 GLU A 376 1.476 9.395 -12.842 1.00 0.00 H new ATOM 0 HG3 GLU A 376 2.813 8.448 -12.222 1.00 0.00 H new ATOM 399 N GLY A 377 1.176 7.413 -17.098 1.00 0.00 N ATOM 400 CA GLY A 377 1.308 6.695 -18.398 1.00 0.00 C ATOM 401 C GLY A 377 1.128 5.191 -18.175 1.00 0.00 C ATOM 402 O GLY A 377 1.657 4.379 -18.907 1.00 0.00 O ATOM 0 H GLY A 377 0.415 7.092 -16.499 1.00 0.00 H new ATOM 0 HA2 GLY A 377 0.562 7.060 -19.104 1.00 0.00 H new ATOM 0 HA3 GLY A 377 2.286 6.893 -18.837 1.00 0.00 H new ATOM 406 N PHE A 378 0.385 4.813 -17.171 1.00 0.00 N ATOM 407 CA PHE A 378 0.175 3.363 -16.906 1.00 0.00 C ATOM 408 C PHE A 378 -1.319 3.045 -16.992 1.00 0.00 C ATOM 409 O PHE A 378 -2.014 3.013 -15.998 1.00 0.00 O ATOM 410 CB PHE A 378 0.693 3.021 -15.506 1.00 0.00 C ATOM 411 CG PHE A 378 2.184 3.252 -15.456 1.00 0.00 C ATOM 412 CD1 PHE A 378 3.063 2.257 -15.901 1.00 0.00 C ATOM 413 CD2 PHE A 378 2.688 4.462 -14.964 1.00 0.00 C ATOM 414 CE1 PHE A 378 4.445 2.473 -15.856 1.00 0.00 C ATOM 415 CE2 PHE A 378 4.072 4.678 -14.919 1.00 0.00 C ATOM 416 CZ PHE A 378 4.950 3.683 -15.364 1.00 0.00 C ATOM 0 H PHE A 378 -0.085 5.446 -16.524 1.00 0.00 H new ATOM 0 HA PHE A 378 0.716 2.773 -17.646 1.00 0.00 H new ATOM 0 HB2 PHE A 378 0.193 3.638 -14.760 1.00 0.00 H new ATOM 0 HB3 PHE A 378 0.466 1.982 -15.265 1.00 0.00 H new ATOM 0 HD1 PHE A 378 2.674 1.323 -16.279 1.00 0.00 H new ATOM 0 HD2 PHE A 378 2.010 5.229 -14.619 1.00 0.00 H new ATOM 0 HE1 PHE A 378 5.123 1.706 -16.201 1.00 0.00 H new ATOM 0 HE2 PHE A 378 4.461 5.612 -14.541 1.00 0.00 H new ATOM 0 HZ PHE A 378 6.017 3.848 -15.328 1.00 0.00 H new ATOM 426 N SER A 379 -1.822 2.820 -18.177 1.00 0.00 N ATOM 427 CA SER A 379 -3.274 2.516 -18.324 1.00 0.00 C ATOM 428 C SER A 379 -3.487 1.001 -18.390 1.00 0.00 C ATOM 429 O SER A 379 -4.605 0.526 -18.438 1.00 0.00 O ATOM 430 CB SER A 379 -3.802 3.159 -19.608 1.00 0.00 C ATOM 431 OG SER A 379 -3.294 2.457 -20.733 1.00 0.00 O ATOM 0 H SER A 379 -1.291 2.834 -19.048 1.00 0.00 H new ATOM 0 HA SER A 379 -3.811 2.917 -17.464 1.00 0.00 H new ATOM 0 HB2 SER A 379 -4.892 3.139 -19.616 1.00 0.00 H new ATOM 0 HB3 SER A 379 -3.502 4.206 -19.653 1.00 0.00 H new ATOM 0 HG SER A 379 -3.634 2.868 -21.555 1.00 0.00 H new ATOM 437 N THR A 380 -2.430 0.238 -18.393 1.00 0.00 N ATOM 438 CA THR A 380 -2.586 -1.243 -18.457 1.00 0.00 C ATOM 439 C THR A 380 -1.924 -1.880 -17.234 1.00 0.00 C ATOM 440 O THR A 380 -0.875 -1.456 -16.792 1.00 0.00 O ATOM 441 CB THR A 380 -1.922 -1.772 -19.729 1.00 0.00 C ATOM 442 OG1 THR A 380 -2.443 -1.081 -20.855 1.00 0.00 O ATOM 443 CG2 THR A 380 -2.205 -3.268 -19.870 1.00 0.00 C ATOM 0 H THR A 380 -1.468 0.574 -18.354 1.00 0.00 H new ATOM 0 HA THR A 380 -3.646 -1.495 -18.469 1.00 0.00 H new ATOM 0 HB THR A 380 -0.845 -1.613 -19.671 1.00 0.00 H new ATOM 0 HG1 THR A 380 -2.017 -1.418 -21.671 1.00 0.00 H new ATOM 0 HG21 THR A 380 -1.731 -3.644 -20.777 1.00 0.00 H new ATOM 0 HG22 THR A 380 -1.805 -3.797 -19.005 1.00 0.00 H new ATOM 0 HG23 THR A 380 -3.281 -3.431 -19.929 1.00 0.00 H new ATOM 451 N LEU A 381 -2.530 -2.898 -16.686 1.00 0.00 N ATOM 452 CA LEU A 381 -1.932 -3.562 -15.495 1.00 0.00 C ATOM 453 C LEU A 381 -0.554 -4.108 -15.866 1.00 0.00 C ATOM 454 O LEU A 381 0.321 -4.234 -15.032 1.00 0.00 O ATOM 455 CB LEU A 381 -2.833 -4.712 -15.045 1.00 0.00 C ATOM 456 CG LEU A 381 -4.102 -4.148 -14.403 1.00 0.00 C ATOM 457 CD1 LEU A 381 -5.085 -3.724 -15.497 1.00 0.00 C ATOM 458 CD2 LEU A 381 -4.747 -5.221 -13.525 1.00 0.00 C ATOM 0 H LEU A 381 -3.411 -3.297 -17.011 1.00 0.00 H new ATOM 0 HA LEU A 381 -1.835 -2.842 -14.683 1.00 0.00 H new ATOM 0 HB2 LEU A 381 -3.093 -5.339 -15.898 1.00 0.00 H new ATOM 0 HB3 LEU A 381 -2.304 -5.345 -14.333 1.00 0.00 H new ATOM 0 HG LEU A 381 -3.846 -3.282 -13.792 1.00 0.00 H new ATOM 0 HD11 LEU A 381 -5.989 -3.322 -15.038 1.00 0.00 H new ATOM 0 HD12 LEU A 381 -4.625 -2.959 -16.123 1.00 0.00 H new ATOM 0 HD13 LEU A 381 -5.342 -4.588 -16.110 1.00 0.00 H new ATOM 0 HD21 LEU A 381 -5.651 -4.821 -13.067 1.00 0.00 H new ATOM 0 HD22 LEU A 381 -5.002 -6.086 -14.137 1.00 0.00 H new ATOM 0 HD23 LEU A 381 -4.048 -5.522 -12.745 1.00 0.00 H new ATOM 470 N GLU A 382 -0.354 -4.431 -17.114 1.00 0.00 N ATOM 471 CA GLU A 382 0.966 -4.968 -17.543 1.00 0.00 C ATOM 472 C GLU A 382 2.027 -3.879 -17.389 1.00 0.00 C ATOM 473 O GLU A 382 3.122 -4.127 -16.936 1.00 0.00 O ATOM 474 CB GLU A 382 0.888 -5.399 -19.008 1.00 0.00 C ATOM 475 CG GLU A 382 0.184 -6.751 -19.101 1.00 0.00 C ATOM 476 CD GLU A 382 0.011 -7.137 -20.571 1.00 0.00 C ATOM 477 OE1 GLU A 382 0.347 -6.325 -21.418 1.00 0.00 O ATOM 478 OE2 GLU A 382 -0.452 -8.236 -20.825 1.00 0.00 O ATOM 0 H GLU A 382 -1.049 -4.346 -17.855 1.00 0.00 H new ATOM 0 HA GLU A 382 1.230 -5.827 -16.926 1.00 0.00 H new ATOM 0 HB2 GLU A 382 0.346 -4.653 -19.590 1.00 0.00 H new ATOM 0 HB3 GLU A 382 1.890 -5.468 -19.432 1.00 0.00 H new ATOM 0 HG2 GLU A 382 0.765 -7.512 -18.580 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -0.788 -6.701 -18.610 1.00 0.00 H new ATOM 485 N GLU A 383 1.710 -2.673 -17.760 1.00 0.00 N ATOM 486 CA GLU A 383 2.706 -1.577 -17.627 1.00 0.00 C ATOM 487 C GLU A 383 3.091 -1.427 -16.155 1.00 0.00 C ATOM 488 O GLU A 383 4.244 -1.243 -15.820 1.00 0.00 O ATOM 489 CB GLU A 383 2.097 -0.270 -18.139 1.00 0.00 C ATOM 490 CG GLU A 383 1.784 -0.411 -19.630 1.00 0.00 C ATOM 491 CD GLU A 383 1.358 0.945 -20.195 1.00 0.00 C ATOM 492 OE1 GLU A 383 1.189 1.864 -19.412 1.00 0.00 O ATOM 493 OE2 GLU A 383 1.208 1.040 -21.402 1.00 0.00 O ATOM 0 H GLU A 383 0.808 -2.399 -18.148 1.00 0.00 H new ATOM 0 HA GLU A 383 3.594 -1.811 -18.213 1.00 0.00 H new ATOM 0 HB2 GLU A 383 1.188 -0.037 -17.585 1.00 0.00 H new ATOM 0 HB3 GLU A 383 2.790 0.556 -17.977 1.00 0.00 H new ATOM 0 HG2 GLU A 383 2.661 -0.779 -20.163 1.00 0.00 H new ATOM 0 HG3 GLU A 383 0.990 -1.143 -19.778 1.00 0.00 H new ATOM 500 N LEU A 384 2.133 -1.504 -15.272 1.00 0.00 N ATOM 501 CA LEU A 384 2.441 -1.367 -13.820 1.00 0.00 C ATOM 502 C LEU A 384 3.269 -2.564 -13.349 1.00 0.00 C ATOM 503 O LEU A 384 4.253 -2.418 -12.652 1.00 0.00 O ATOM 504 CB LEU A 384 1.136 -1.316 -13.023 1.00 0.00 C ATOM 505 CG LEU A 384 0.337 -0.069 -13.414 1.00 0.00 C ATOM 506 CD1 LEU A 384 -1.001 -0.068 -12.669 1.00 0.00 C ATOM 507 CD2 LEU A 384 1.129 1.186 -13.042 1.00 0.00 C ATOM 0 H LEU A 384 1.149 -1.656 -15.494 1.00 0.00 H new ATOM 0 HA LEU A 384 3.007 -0.449 -13.661 1.00 0.00 H new ATOM 0 HB2 LEU A 384 0.546 -2.212 -13.216 1.00 0.00 H new ATOM 0 HB3 LEU A 384 1.352 -1.300 -11.955 1.00 0.00 H new ATOM 0 HG LEU A 384 0.156 -0.076 -14.489 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -1.571 0.819 -12.946 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -1.567 -0.961 -12.936 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -0.819 -0.061 -11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.559 2.072 -13.321 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.312 1.196 -11.967 1.00 0.00 H new ATOM 0 HD23 LEU A 384 2.081 1.186 -13.572 1.00 0.00 H new ATOM 519 N ALA A 385 2.869 -3.749 -13.717 1.00 0.00 N ATOM 520 CA ALA A 385 3.621 -4.962 -13.283 1.00 0.00 C ATOM 521 C ALA A 385 4.869 -5.143 -14.147 1.00 0.00 C ATOM 522 O ALA A 385 5.907 -5.563 -13.675 1.00 0.00 O ATOM 523 CB ALA A 385 2.725 -6.192 -13.430 1.00 0.00 C ATOM 0 H ALA A 385 2.053 -3.931 -14.301 1.00 0.00 H new ATOM 0 HA ALA A 385 3.920 -4.842 -12.242 1.00 0.00 H new ATOM 0 HB1 ALA A 385 3.272 -7.080 -13.114 1.00 0.00 H new ATOM 0 HB2 ALA A 385 1.837 -6.072 -12.809 1.00 0.00 H new ATOM 0 HB3 ALA A 385 2.426 -6.302 -14.472 1.00 0.00 H new ATOM 529 N TYR A 386 4.776 -4.835 -15.409 1.00 0.00 N ATOM 530 CA TYR A 386 5.954 -4.998 -16.304 1.00 0.00 C ATOM 531 C TYR A 386 7.054 -4.033 -15.863 1.00 0.00 C ATOM 532 O TYR A 386 8.223 -4.363 -15.870 1.00 0.00 O ATOM 533 CB TYR A 386 5.546 -4.695 -17.748 1.00 0.00 C ATOM 534 CG TYR A 386 4.651 -5.799 -18.271 1.00 0.00 C ATOM 535 CD1 TYR A 386 3.771 -6.467 -17.405 1.00 0.00 C ATOM 536 CD2 TYR A 386 4.696 -6.151 -19.625 1.00 0.00 C ATOM 537 CE1 TYR A 386 2.942 -7.479 -17.893 1.00 0.00 C ATOM 538 CE2 TYR A 386 3.864 -7.168 -20.113 1.00 0.00 C ATOM 539 CZ TYR A 386 2.988 -7.832 -19.246 1.00 0.00 C ATOM 540 OH TYR A 386 2.168 -8.832 -19.727 1.00 0.00 O ATOM 0 H TYR A 386 3.934 -4.477 -15.860 1.00 0.00 H new ATOM 0 HA TYR A 386 6.323 -6.022 -16.246 1.00 0.00 H new ATOM 0 HB2 TYR A 386 5.025 -3.739 -17.795 1.00 0.00 H new ATOM 0 HB3 TYR A 386 6.433 -4.606 -18.375 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.735 -6.198 -16.360 1.00 0.00 H new ATOM 0 HD2 TYR A 386 5.372 -5.639 -20.294 1.00 0.00 H new ATOM 0 HE1 TYR A 386 2.264 -7.990 -17.225 1.00 0.00 H new ATOM 0 HE2 TYR A 386 3.899 -7.439 -21.158 1.00 0.00 H new ATOM 0 HH TYR A 386 2.325 -8.950 -20.687 1.00 0.00 H new ATOM 550 N VAL A 387 6.687 -2.846 -15.464 1.00 0.00 N ATOM 551 CA VAL A 387 7.712 -1.868 -15.008 1.00 0.00 C ATOM 552 C VAL A 387 8.257 -2.330 -13.653 1.00 0.00 C ATOM 553 O VAL A 387 7.550 -2.923 -12.864 1.00 0.00 O ATOM 554 CB VAL A 387 7.068 -0.481 -14.875 1.00 0.00 C ATOM 555 CG1 VAL A 387 7.501 0.178 -13.562 1.00 0.00 C ATOM 556 CG2 VAL A 387 7.508 0.397 -16.045 1.00 0.00 C ATOM 0 H VAL A 387 5.723 -2.513 -15.434 1.00 0.00 H new ATOM 0 HA VAL A 387 8.528 -1.808 -15.729 1.00 0.00 H new ATOM 0 HB VAL A 387 5.984 -0.592 -14.880 1.00 0.00 H new ATOM 0 HG11 VAL A 387 7.038 1.161 -13.478 1.00 0.00 H new ATOM 0 HG12 VAL A 387 7.188 -0.443 -12.723 1.00 0.00 H new ATOM 0 HG13 VAL A 387 8.586 0.285 -13.549 1.00 0.00 H new ATOM 0 HG21 VAL A 387 7.052 1.382 -15.952 1.00 0.00 H new ATOM 0 HG22 VAL A 387 8.593 0.498 -16.036 1.00 0.00 H new ATOM 0 HG23 VAL A 387 7.194 -0.062 -16.982 1.00 0.00 H new ATOM 566 N PRO A 388 9.541 -2.059 -13.387 1.00 0.00 N ATOM 567 CA PRO A 388 10.183 -2.455 -12.131 1.00 0.00 C ATOM 568 C PRO A 388 9.707 -1.613 -10.947 1.00 0.00 C ATOM 569 O PRO A 388 9.085 -0.582 -11.104 1.00 0.00 O ATOM 570 CB PRO A 388 11.663 -2.193 -12.380 1.00 0.00 C ATOM 571 CG PRO A 388 11.686 -1.136 -13.428 1.00 0.00 C ATOM 572 CD PRO A 388 10.468 -1.349 -14.285 1.00 0.00 C ATOM 0 HA PRO A 388 9.952 -3.489 -11.875 1.00 0.00 H new ATOM 0 HB2 PRO A 388 12.165 -1.861 -11.471 1.00 0.00 H new ATOM 0 HB3 PRO A 388 12.174 -3.095 -12.716 1.00 0.00 H new ATOM 0 HG2 PRO A 388 11.673 -0.144 -12.977 1.00 0.00 H new ATOM 0 HG3 PRO A 388 12.596 -1.203 -14.025 1.00 0.00 H new ATOM 0 HD2 PRO A 388 10.049 -0.404 -14.630 1.00 0.00 H new ATOM 0 HD3 PRO A 388 10.699 -1.938 -15.172 1.00 0.00 H new ATOM 580 N MET A 389 9.996 -2.063 -9.762 1.00 0.00 N ATOM 581 CA MET A 389 9.567 -1.318 -8.545 1.00 0.00 C ATOM 582 C MET A 389 10.151 0.097 -8.564 1.00 0.00 C ATOM 583 O MET A 389 9.432 1.072 -8.657 1.00 0.00 O ATOM 584 CB MET A 389 10.057 -2.058 -7.300 1.00 0.00 C ATOM 585 CG MET A 389 9.568 -1.332 -6.047 1.00 0.00 C ATOM 586 SD MET A 389 10.994 -0.759 -5.090 1.00 0.00 S ATOM 587 CE MET A 389 10.849 0.996 -5.501 1.00 0.00 C ATOM 0 H MET A 389 10.515 -2.922 -9.580 1.00 0.00 H new ATOM 0 HA MET A 389 8.479 -1.252 -8.529 1.00 0.00 H new ATOM 0 HB2 MET A 389 9.688 -3.084 -7.306 1.00 0.00 H new ATOM 0 HB3 MET A 389 11.146 -2.111 -7.301 1.00 0.00 H new ATOM 0 HG2 MET A 389 8.939 -0.486 -6.325 1.00 0.00 H new ATOM 0 HG3 MET A 389 8.955 -2.000 -5.442 1.00 0.00 H new ATOM 0 HE1 MET A 389 11.784 1.345 -5.939 1.00 0.00 H new ATOM 0 HE2 MET A 389 10.038 1.137 -6.216 1.00 0.00 H new ATOM 0 HE3 MET A 389 10.638 1.565 -4.596 1.00 0.00 H new ATOM 597 N LYS A 390 11.447 0.222 -8.465 1.00 0.00 N ATOM 598 CA LYS A 390 12.072 1.578 -8.463 1.00 0.00 C ATOM 599 C LYS A 390 11.399 2.471 -9.510 1.00 0.00 C ATOM 600 O LYS A 390 10.952 3.560 -9.211 1.00 0.00 O ATOM 601 CB LYS A 390 13.562 1.460 -8.791 1.00 0.00 C ATOM 602 CG LYS A 390 14.279 0.709 -7.668 1.00 0.00 C ATOM 603 CD LYS A 390 15.788 0.732 -7.926 1.00 0.00 C ATOM 604 CE LYS A 390 16.500 -0.125 -6.877 1.00 0.00 C ATOM 605 NZ LYS A 390 17.855 0.438 -6.614 1.00 0.00 N ATOM 0 H LYS A 390 12.101 -0.556 -8.385 1.00 0.00 H new ATOM 0 HA LYS A 390 11.945 2.020 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 390 13.696 0.934 -9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 390 13.997 2.452 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 390 14.056 1.171 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 390 13.923 -0.320 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 390 16.002 0.354 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 390 16.159 1.756 -7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 390 15.919 -0.148 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 390 16.583 -1.154 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 18.340 -0.143 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 18.408 0.438 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 17.764 1.412 -6.262 1.00 0.00 H new ATOM 619 N GLU A 391 11.329 2.026 -10.736 1.00 0.00 N ATOM 620 CA GLU A 391 10.693 2.862 -11.791 1.00 0.00 C ATOM 621 C GLU A 391 9.343 3.358 -11.281 1.00 0.00 C ATOM 622 O GLU A 391 8.936 4.473 -11.544 1.00 0.00 O ATOM 623 CB GLU A 391 10.492 2.026 -13.056 1.00 0.00 C ATOM 624 CG GLU A 391 11.781 2.038 -13.883 1.00 0.00 C ATOM 625 CD GLU A 391 11.510 1.426 -15.259 1.00 0.00 C ATOM 626 OE1 GLU A 391 10.355 1.392 -15.652 1.00 0.00 O ATOM 627 OE2 GLU A 391 12.461 1.002 -15.895 1.00 0.00 O ATOM 0 H GLU A 391 11.684 1.123 -11.050 1.00 0.00 H new ATOM 0 HA GLU A 391 11.333 3.713 -12.025 1.00 0.00 H new ATOM 0 HB2 GLU A 391 10.227 1.003 -12.791 1.00 0.00 H new ATOM 0 HB3 GLU A 391 9.666 2.428 -13.643 1.00 0.00 H new ATOM 0 HG2 GLU A 391 12.146 3.059 -13.993 1.00 0.00 H new ATOM 0 HG3 GLU A 391 12.560 1.475 -13.370 1.00 0.00 H new ATOM 634 N LEU A 392 8.652 2.539 -10.544 1.00 0.00 N ATOM 635 CA LEU A 392 7.327 2.960 -10.006 1.00 0.00 C ATOM 636 C LEU A 392 7.533 3.851 -8.778 1.00 0.00 C ATOM 637 O LEU A 392 6.906 4.882 -8.634 1.00 0.00 O ATOM 638 CB LEU A 392 6.518 1.724 -9.610 1.00 0.00 C ATOM 639 CG LEU A 392 6.172 0.924 -10.864 1.00 0.00 C ATOM 640 CD1 LEU A 392 5.252 -0.240 -10.491 1.00 0.00 C ATOM 641 CD2 LEU A 392 5.463 1.835 -11.866 1.00 0.00 C ATOM 0 H LEU A 392 8.945 1.596 -10.289 1.00 0.00 H new ATOM 0 HA LEU A 392 6.786 3.516 -10.772 1.00 0.00 H new ATOM 0 HB2 LEU A 392 7.091 1.107 -8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 392 5.607 2.022 -9.092 1.00 0.00 H new ATOM 0 HG LEU A 392 7.086 0.533 -11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 392 5.006 -0.810 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 392 5.758 -0.888 -9.775 1.00 0.00 H new ATOM 0 HD13 LEU A 392 4.336 0.148 -10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 392 5.215 1.267 -12.762 1.00 0.00 H new ATOM 0 HD22 LEU A 392 4.549 2.225 -11.419 1.00 0.00 H new ATOM 0 HD23 LEU A 392 6.119 2.664 -12.132 1.00 0.00 H new ATOM 653 N LEU A 393 8.406 3.461 -7.891 1.00 0.00 N ATOM 654 CA LEU A 393 8.649 4.282 -6.671 1.00 0.00 C ATOM 655 C LEU A 393 9.264 5.626 -7.070 1.00 0.00 C ATOM 656 O LEU A 393 9.080 6.625 -6.404 1.00 0.00 O ATOM 657 CB LEU A 393 9.606 3.538 -5.738 1.00 0.00 C ATOM 658 CG LEU A 393 9.875 4.393 -4.498 1.00 0.00 C ATOM 659 CD1 LEU A 393 9.245 3.727 -3.273 1.00 0.00 C ATOM 660 CD2 LEU A 393 11.385 4.521 -4.288 1.00 0.00 C ATOM 0 H LEU A 393 8.962 2.609 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 393 7.703 4.456 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 393 9.175 2.580 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 393 10.541 3.323 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 393 9.441 5.383 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 393 9.436 4.336 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 393 8.169 3.633 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 393 9.680 2.737 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 393 11.579 5.130 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 393 11.818 3.531 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 393 11.835 4.994 -5.161 1.00 0.00 H new ATOM 672 N GLU A 394 9.993 5.659 -8.151 1.00 0.00 N ATOM 673 CA GLU A 394 10.616 6.942 -8.587 1.00 0.00 C ATOM 674 C GLU A 394 9.561 7.815 -9.264 1.00 0.00 C ATOM 675 O GLU A 394 9.699 9.019 -9.343 1.00 0.00 O ATOM 676 CB GLU A 394 11.748 6.655 -9.575 1.00 0.00 C ATOM 677 CG GLU A 394 12.842 5.843 -8.880 1.00 0.00 C ATOM 678 CD GLU A 394 14.042 5.703 -9.818 1.00 0.00 C ATOM 679 OE1 GLU A 394 13.896 6.026 -10.985 1.00 0.00 O ATOM 680 OE2 GLU A 394 15.086 5.276 -9.354 1.00 0.00 O ATOM 0 H GLU A 394 10.184 4.856 -8.750 1.00 0.00 H new ATOM 0 HA GLU A 394 11.018 7.462 -7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 394 11.364 6.106 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 394 12.160 7.591 -9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 394 13.144 6.335 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 394 12.462 4.858 -8.608 1.00 0.00 H new ATOM 687 N ILE A 395 8.515 7.212 -9.759 1.00 0.00 N ATOM 688 CA ILE A 395 7.442 7.993 -10.442 1.00 0.00 C ATOM 689 C ILE A 395 7.293 9.371 -9.797 1.00 0.00 C ATOM 690 O ILE A 395 7.011 10.348 -10.462 1.00 0.00 O ATOM 691 CB ILE A 395 6.122 7.231 -10.329 1.00 0.00 C ATOM 692 CG1 ILE A 395 6.200 5.958 -11.170 1.00 0.00 C ATOM 693 CG2 ILE A 395 4.978 8.110 -10.838 1.00 0.00 C ATOM 694 CD1 ILE A 395 4.871 5.205 -11.087 1.00 0.00 C ATOM 0 H ILE A 395 8.356 6.205 -9.720 1.00 0.00 H new ATOM 0 HA ILE A 395 7.708 8.125 -11.491 1.00 0.00 H new ATOM 0 HB ILE A 395 5.940 6.970 -9.287 1.00 0.00 H new ATOM 0 HG12 ILE A 395 6.423 6.208 -12.207 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.012 5.324 -10.813 1.00 0.00 H new ATOM 0 HG21 ILE A 395 4.037 7.566 -10.757 1.00 0.00 H new ATOM 0 HG22 ILE A 395 4.924 9.019 -10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 395 5.157 8.372 -11.881 1.00 0.00 H new ATOM 0 HD11 ILE A 395 4.929 4.297 -11.688 1.00 0.00 H new ATOM 0 HD12 ILE A 395 4.667 4.941 -10.049 1.00 0.00 H new ATOM 0 HD13 ILE A 395 4.069 5.839 -11.465 1.00 0.00 H new ATOM 706 N GLU A 396 7.478 9.463 -8.512 1.00 0.00 N ATOM 707 CA GLU A 396 7.343 10.786 -7.841 1.00 0.00 C ATOM 708 C GLU A 396 7.709 10.656 -6.358 1.00 0.00 C ATOM 709 O GLU A 396 8.867 10.666 -5.994 1.00 0.00 O ATOM 710 CB GLU A 396 5.901 11.285 -7.973 1.00 0.00 C ATOM 711 CG GLU A 396 5.752 12.612 -7.225 1.00 0.00 C ATOM 712 CD GLU A 396 4.289 13.057 -7.261 1.00 0.00 C ATOM 713 OE1 GLU A 396 3.466 12.284 -7.723 1.00 0.00 O ATOM 714 OE2 GLU A 396 4.017 14.162 -6.822 1.00 0.00 O ATOM 0 H GLU A 396 7.716 8.684 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 396 8.017 11.499 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 396 5.645 11.417 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 396 5.210 10.546 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 396 6.083 12.499 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 396 6.386 13.372 -7.682 1.00 0.00 H new ATOM 721 N GLY A 397 6.732 10.541 -5.498 1.00 0.00 N ATOM 722 CA GLY A 397 7.030 10.419 -4.043 1.00 0.00 C ATOM 723 C GLY A 397 6.295 9.210 -3.467 1.00 0.00 C ATOM 724 O GLY A 397 5.786 9.246 -2.364 1.00 0.00 O ATOM 0 H GLY A 397 5.741 10.526 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 397 8.104 10.311 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 397 6.723 11.326 -3.522 1.00 0.00 H new ATOM 728 N LEU A 398 6.240 8.136 -4.202 1.00 0.00 N ATOM 729 CA LEU A 398 5.542 6.924 -3.694 1.00 0.00 C ATOM 730 C LEU A 398 6.464 6.183 -2.723 1.00 0.00 C ATOM 731 O LEU A 398 7.673 6.289 -2.799 1.00 0.00 O ATOM 732 CB LEU A 398 5.180 6.013 -4.867 1.00 0.00 C ATOM 733 CG LEU A 398 4.229 6.757 -5.806 1.00 0.00 C ATOM 734 CD1 LEU A 398 3.747 5.811 -6.908 1.00 0.00 C ATOM 735 CD2 LEU A 398 3.025 7.266 -5.011 1.00 0.00 C ATOM 0 H LEU A 398 6.648 8.045 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 398 4.629 7.215 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 398 6.081 5.715 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 398 4.710 5.100 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 398 4.753 7.600 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 398 3.070 6.344 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 398 4.604 5.447 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 398 3.224 4.966 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 398 2.346 7.797 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 398 2.504 6.422 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 398 3.366 7.943 -4.228 1.00 0.00 H new ATOM 747 N ASP A 399 5.908 5.446 -1.801 1.00 0.00 N ATOM 748 CA ASP A 399 6.758 4.715 -0.819 1.00 0.00 C ATOM 749 C ASP A 399 7.166 3.354 -1.386 1.00 0.00 C ATOM 750 O ASP A 399 6.550 2.832 -2.293 1.00 0.00 O ATOM 751 CB ASP A 399 5.980 4.511 0.481 1.00 0.00 C ATOM 752 CG ASP A 399 5.297 5.821 0.878 1.00 0.00 C ATOM 753 OD1 ASP A 399 5.809 6.867 0.516 1.00 0.00 O ATOM 754 OD2 ASP A 399 4.272 5.757 1.538 1.00 0.00 O ATOM 0 H ASP A 399 4.903 5.318 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 399 7.654 5.303 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 399 5.236 3.725 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 399 6.654 4.185 1.273 1.00 0.00 H new ATOM 759 N GLU A 400 8.209 2.782 -0.851 1.00 0.00 N ATOM 760 CA GLU A 400 8.681 1.457 -1.343 1.00 0.00 C ATOM 761 C GLU A 400 7.564 0.416 -1.216 1.00 0.00 C ATOM 762 O GLU A 400 7.294 -0.325 -2.139 1.00 0.00 O ATOM 763 CB GLU A 400 9.888 1.009 -0.515 1.00 0.00 C ATOM 764 CG GLU A 400 10.669 -0.053 -1.290 1.00 0.00 C ATOM 765 CD GLU A 400 11.863 0.601 -1.987 1.00 0.00 C ATOM 766 OE1 GLU A 400 11.776 1.780 -2.290 1.00 0.00 O ATOM 767 OE2 GLU A 400 12.846 -0.088 -2.208 1.00 0.00 O ATOM 0 H GLU A 400 8.758 3.179 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 400 8.964 1.548 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 400 10.531 1.862 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 400 9.557 0.607 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 400 11.013 -0.834 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 400 10.022 -0.531 -2.025 1.00 0.00 H new ATOM 774 N PRO A 401 6.908 0.348 -0.045 1.00 0.00 N ATOM 775 CA PRO A 401 5.828 -0.618 0.196 1.00 0.00 C ATOM 776 C PRO A 401 4.582 -0.303 -0.636 1.00 0.00 C ATOM 777 O PRO A 401 4.004 -1.172 -1.256 1.00 0.00 O ATOM 778 CB PRO A 401 5.527 -0.457 1.686 1.00 0.00 C ATOM 779 CG PRO A 401 5.974 0.927 2.012 1.00 0.00 C ATOM 780 CD PRO A 401 7.160 1.203 1.131 1.00 0.00 C ATOM 0 HA PRO A 401 6.116 -1.631 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 401 4.465 -0.590 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 401 6.062 -1.197 2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 401 5.177 1.647 1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 401 6.243 1.011 3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 401 7.223 2.256 0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 401 8.097 0.945 1.624 1.00 0.00 H new ATOM 788 N THR A 402 4.165 0.933 -0.659 1.00 0.00 N ATOM 789 CA THR A 402 2.961 1.293 -1.458 1.00 0.00 C ATOM 790 C THR A 402 3.190 0.891 -2.915 1.00 0.00 C ATOM 791 O THR A 402 2.349 0.279 -3.543 1.00 0.00 O ATOM 792 CB THR A 402 2.725 2.802 -1.377 1.00 0.00 C ATOM 793 OG1 THR A 402 2.631 3.192 -0.013 1.00 0.00 O ATOM 794 CG2 THR A 402 1.428 3.160 -2.104 1.00 0.00 C ATOM 0 H THR A 402 4.605 1.707 -0.161 1.00 0.00 H new ATOM 0 HA THR A 402 2.089 0.771 -1.064 1.00 0.00 H new ATOM 0 HB THR A 402 3.557 3.325 -1.849 1.00 0.00 H new ATOM 0 HG1 THR A 402 2.481 4.159 0.041 1.00 0.00 H new ATOM 0 HG21 THR A 402 1.263 4.236 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 402 1.503 2.862 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 402 0.593 2.638 -1.637 1.00 0.00 H new ATOM 802 N VAL A 403 4.326 1.234 -3.456 1.00 0.00 N ATOM 803 CA VAL A 403 4.620 0.876 -4.872 1.00 0.00 C ATOM 804 C VAL A 403 4.906 -0.621 -4.966 1.00 0.00 C ATOM 805 O VAL A 403 4.596 -1.263 -5.949 1.00 0.00 O ATOM 806 CB VAL A 403 5.848 1.653 -5.351 1.00 0.00 C ATOM 807 CG1 VAL A 403 5.887 1.648 -6.879 1.00 0.00 C ATOM 808 CG2 VAL A 403 5.773 3.094 -4.848 1.00 0.00 C ATOM 0 H VAL A 403 5.065 1.748 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 403 3.762 1.127 -5.495 1.00 0.00 H new ATOM 0 HB VAL A 403 6.750 1.181 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 403 6.761 2.201 -7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 403 5.944 0.620 -7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 403 4.984 2.119 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 403 6.649 3.645 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 403 4.871 3.568 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 403 5.745 3.098 -3.758 1.00 0.00 H new ATOM 818 N GLU A 404 5.495 -1.182 -3.947 1.00 0.00 N ATOM 819 CA GLU A 404 5.801 -2.639 -3.974 1.00 0.00 C ATOM 820 C GLU A 404 4.493 -3.434 -3.955 1.00 0.00 C ATOM 821 O GLU A 404 4.354 -4.432 -4.632 1.00 0.00 O ATOM 822 CB GLU A 404 6.639 -3.005 -2.747 1.00 0.00 C ATOM 823 CG GLU A 404 7.073 -4.468 -2.846 1.00 0.00 C ATOM 824 CD GLU A 404 7.818 -4.865 -1.571 1.00 0.00 C ATOM 825 OE1 GLU A 404 7.950 -4.023 -0.698 1.00 0.00 O ATOM 826 OE2 GLU A 404 8.244 -6.006 -1.488 1.00 0.00 O ATOM 0 H GLU A 404 5.778 -0.694 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 404 6.358 -2.878 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 404 7.514 -2.358 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 404 6.060 -2.847 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 404 6.202 -5.108 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 404 7.716 -4.610 -3.715 1.00 0.00 H new ATOM 833 N ALA A 405 3.533 -2.998 -3.185 1.00 0.00 N ATOM 834 CA ALA A 405 2.235 -3.728 -3.128 1.00 0.00 C ATOM 835 C ALA A 405 1.428 -3.425 -4.389 1.00 0.00 C ATOM 836 O ALA A 405 0.829 -4.301 -4.983 1.00 0.00 O ATOM 837 CB ALA A 405 1.449 -3.276 -1.895 1.00 0.00 C ATOM 0 H ALA A 405 3.592 -2.169 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 405 2.421 -4.800 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 405 0.500 -3.810 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 405 2.027 -3.492 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 405 1.260 -2.204 -1.957 1.00 0.00 H new ATOM 843 N LEU A 406 1.412 -2.191 -4.804 1.00 0.00 N ATOM 844 CA LEU A 406 0.650 -1.825 -6.030 1.00 0.00 C ATOM 845 C LEU A 406 1.241 -2.567 -7.230 1.00 0.00 C ATOM 846 O LEU A 406 0.530 -3.115 -8.048 1.00 0.00 O ATOM 847 CB LEU A 406 0.754 -0.316 -6.260 1.00 0.00 C ATOM 848 CG LEU A 406 -0.083 0.073 -7.479 1.00 0.00 C ATOM 849 CD1 LEU A 406 -1.545 0.243 -7.062 1.00 0.00 C ATOM 850 CD2 LEU A 406 0.438 1.392 -8.055 1.00 0.00 C ATOM 0 H LEU A 406 1.895 -1.418 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 406 -0.397 -2.102 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 406 0.404 0.222 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 406 1.795 -0.032 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 406 -0.009 -0.709 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -2.141 0.520 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -1.917 -0.695 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -1.619 1.025 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -0.158 1.670 -8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 406 0.364 2.174 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 406 1.480 1.273 -8.353 1.00 0.00 H new ATOM 862 N ARG A 407 2.541 -2.588 -7.336 1.00 0.00 N ATOM 863 CA ARG A 407 3.189 -3.296 -8.475 1.00 0.00 C ATOM 864 C ARG A 407 2.905 -4.796 -8.366 1.00 0.00 C ATOM 865 O ARG A 407 2.509 -5.436 -9.321 1.00 0.00 O ATOM 866 CB ARG A 407 4.699 -3.053 -8.421 1.00 0.00 C ATOM 867 CG ARG A 407 5.361 -3.630 -9.673 1.00 0.00 C ATOM 868 CD ARG A 407 6.839 -3.235 -9.692 1.00 0.00 C ATOM 869 NE ARG A 407 7.561 -3.967 -8.614 1.00 0.00 N ATOM 870 CZ ARG A 407 7.892 -5.219 -8.782 1.00 0.00 C ATOM 871 NH1 ARG A 407 7.375 -6.138 -8.014 1.00 0.00 N ATOM 872 NH2 ARG A 407 8.739 -5.549 -9.719 1.00 0.00 N ATOM 0 H ARG A 407 3.184 -2.144 -6.681 1.00 0.00 H new ATOM 0 HA ARG A 407 2.792 -2.921 -9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 407 4.902 -1.984 -8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 407 5.120 -3.517 -7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 407 5.263 -4.716 -9.683 1.00 0.00 H new ATOM 0 HG3 ARG A 407 4.862 -3.257 -10.567 1.00 0.00 H new ATOM 0 HD2 ARG A 407 7.277 -3.470 -10.662 1.00 0.00 H new ATOM 0 HD3 ARG A 407 6.941 -2.159 -9.548 1.00 0.00 H new ATOM 0 HE ARG A 407 7.797 -3.490 -7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 407 6.713 -5.878 -7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 407 7.633 -7.116 -8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 407 9.142 -4.829 -10.319 1.00 0.00 H new ATOM 0 HH22 ARG A 407 8.998 -6.527 -9.851 1.00 0.00 H new ATOM 886 N GLU A 408 3.105 -5.360 -7.206 1.00 0.00 N ATOM 887 CA GLU A 408 2.848 -6.818 -7.028 1.00 0.00 C ATOM 888 C GLU A 408 1.426 -7.149 -7.486 1.00 0.00 C ATOM 889 O GLU A 408 1.185 -8.165 -8.105 1.00 0.00 O ATOM 890 CB GLU A 408 3.005 -7.184 -5.550 1.00 0.00 C ATOM 891 CG GLU A 408 2.897 -8.702 -5.386 1.00 0.00 C ATOM 892 CD GLU A 408 2.968 -9.059 -3.901 1.00 0.00 C ATOM 893 OE1 GLU A 408 3.064 -8.149 -3.095 1.00 0.00 O ATOM 894 OE2 GLU A 408 2.928 -10.240 -3.593 1.00 0.00 O ATOM 0 H GLU A 408 3.436 -4.874 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 408 3.561 -7.387 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 408 3.968 -6.835 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 408 2.236 -6.688 -4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 408 1.960 -9.059 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 408 3.703 -9.196 -5.929 1.00 0.00 H new ATOM 901 N ARG A 409 0.483 -6.300 -7.182 1.00 0.00 N ATOM 902 CA ARG A 409 -0.924 -6.568 -7.597 1.00 0.00 C ATOM 903 C ARG A 409 -1.010 -6.632 -9.123 1.00 0.00 C ATOM 904 O ARG A 409 -1.708 -7.456 -9.680 1.00 0.00 O ATOM 905 CB ARG A 409 -1.827 -5.443 -7.087 1.00 0.00 C ATOM 906 CG ARG A 409 -1.968 -5.548 -5.567 1.00 0.00 C ATOM 907 CD ARG A 409 -2.958 -4.490 -5.076 1.00 0.00 C ATOM 908 NE ARG A 409 -2.729 -4.228 -3.628 1.00 0.00 N ATOM 909 CZ ARG A 409 -3.327 -4.963 -2.729 1.00 0.00 C ATOM 910 NH1 ARG A 409 -2.707 -5.983 -2.203 1.00 0.00 N ATOM 911 NH2 ARG A 409 -4.544 -4.675 -2.358 1.00 0.00 N ATOM 0 H ARG A 409 0.625 -5.433 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 409 -1.248 -7.520 -7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 409 -1.406 -4.474 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 409 -2.807 -5.508 -7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 409 -2.315 -6.544 -5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 409 -0.999 -5.405 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 409 -2.835 -3.569 -5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 409 -3.981 -4.831 -5.237 1.00 0.00 H new ATOM 0 HE ARG A 409 -2.105 -3.475 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 409 -1.755 -6.207 -2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 409 -3.174 -6.557 -1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 409 -5.027 -3.877 -2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 409 -5.012 -5.248 -1.656 1.00 0.00 H new ATOM 925 N ALA A 410 -0.313 -5.765 -9.803 1.00 0.00 N ATOM 926 CA ALA A 410 -0.361 -5.772 -11.293 1.00 0.00 C ATOM 927 C ALA A 410 -0.156 -7.198 -11.811 1.00 0.00 C ATOM 928 O ALA A 410 -0.997 -7.743 -12.499 1.00 0.00 O ATOM 929 CB ALA A 410 0.742 -4.865 -11.839 1.00 0.00 C ATOM 0 H ALA A 410 0.288 -5.051 -9.392 1.00 0.00 H new ATOM 0 HA ALA A 410 -1.333 -5.407 -11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 410 0.709 -4.868 -12.929 1.00 0.00 H new ATOM 0 HB2 ALA A 410 0.591 -3.849 -11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 410 1.713 -5.230 -11.504 1.00 0.00 H new ATOM 935 N LYS A 411 0.953 -7.805 -11.490 1.00 0.00 N ATOM 936 CA LYS A 411 1.205 -9.193 -11.970 1.00 0.00 C ATOM 937 C LYS A 411 0.081 -10.111 -11.485 1.00 0.00 C ATOM 938 O LYS A 411 -0.552 -10.797 -12.262 1.00 0.00 O ATOM 939 CB LYS A 411 2.542 -9.690 -11.418 1.00 0.00 C ATOM 940 CG LYS A 411 3.689 -9.087 -12.234 1.00 0.00 C ATOM 941 CD LYS A 411 3.722 -9.728 -13.623 1.00 0.00 C ATOM 942 CE LYS A 411 4.987 -9.283 -14.360 1.00 0.00 C ATOM 943 NZ LYS A 411 4.760 -9.362 -15.830 1.00 0.00 N ATOM 0 H LYS A 411 1.694 -7.401 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 411 1.237 -9.200 -13.060 1.00 0.00 H new ATOM 0 HB2 LYS A 411 2.641 -9.409 -10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 411 2.583 -10.778 -11.462 1.00 0.00 H new ATOM 0 HG2 LYS A 411 3.558 -8.009 -12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 411 4.638 -9.252 -11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 411 3.703 -10.814 -13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 411 2.837 -9.439 -14.190 1.00 0.00 H new ATOM 0 HE2 LYS A 411 5.246 -8.263 -14.076 1.00 0.00 H new ATOM 0 HE3 LYS A 411 5.828 -9.916 -14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 5.670 -9.498 -16.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 4.132 -10.164 -16.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 4.319 -8.480 -16.161 1.00 0.00 H new ATOM 957 N ASN A 412 -0.173 -10.126 -10.206 1.00 0.00 N ATOM 958 CA ASN A 412 -1.255 -10.999 -9.675 1.00 0.00 C ATOM 959 C ASN A 412 -2.553 -10.715 -10.433 1.00 0.00 C ATOM 960 O ASN A 412 -3.277 -11.617 -10.805 1.00 0.00 O ATOM 961 CB ASN A 412 -1.456 -10.713 -8.186 1.00 0.00 C ATOM 962 CG ASN A 412 -0.193 -11.111 -7.419 1.00 0.00 C ATOM 963 OD1 ASN A 412 0.634 -11.842 -7.926 1.00 0.00 O ATOM 964 ND2 ASN A 412 -0.007 -10.655 -6.210 1.00 0.00 N ATOM 0 H ASN A 412 0.322 -9.572 -9.507 1.00 0.00 H new ATOM 0 HA ASN A 412 -0.979 -12.045 -9.807 1.00 0.00 H new ATOM 0 HB2 ASN A 412 -1.670 -9.655 -8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 412 -2.314 -11.270 -7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 412 0.833 -10.913 -5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 412 -0.701 -10.041 -5.784 1.00 0.00 H new ATOM 971 N ALA A 413 -2.849 -9.468 -10.673 1.00 0.00 N ATOM 972 CA ALA A 413 -4.095 -9.130 -11.416 1.00 0.00 C ATOM 973 C ALA A 413 -3.988 -9.677 -12.840 1.00 0.00 C ATOM 974 O ALA A 413 -4.921 -10.244 -13.372 1.00 0.00 O ATOM 975 CB ALA A 413 -4.268 -7.611 -11.460 1.00 0.00 C ATOM 0 H ALA A 413 -2.283 -8.669 -10.387 1.00 0.00 H new ATOM 0 HA ALA A 413 -4.956 -9.573 -10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 413 -5.180 -7.364 -12.004 1.00 0.00 H new ATOM 0 HB2 ALA A 413 -4.335 -7.223 -10.444 1.00 0.00 H new ATOM 0 HB3 ALA A 413 -3.412 -7.162 -11.964 1.00 0.00 H new ATOM 981 N LEU A 414 -2.852 -9.508 -13.462 1.00 0.00 N ATOM 982 CA LEU A 414 -2.680 -10.016 -14.851 1.00 0.00 C ATOM 983 C LEU A 414 -2.931 -11.525 -14.878 1.00 0.00 C ATOM 984 O LEU A 414 -3.553 -12.045 -15.784 1.00 0.00 O ATOM 985 CB LEU A 414 -1.257 -9.727 -15.331 1.00 0.00 C ATOM 986 CG LEU A 414 -1.171 -9.969 -16.840 1.00 0.00 C ATOM 987 CD1 LEU A 414 -1.909 -8.852 -17.580 1.00 0.00 C ATOM 988 CD2 LEU A 414 0.294 -9.981 -17.273 1.00 0.00 C ATOM 0 H LEU A 414 -2.036 -9.040 -13.067 1.00 0.00 H new ATOM 0 HA LEU A 414 -3.392 -9.517 -15.509 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -0.986 -8.697 -15.101 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.548 -10.368 -14.808 1.00 0.00 H new ATOM 0 HG LEU A 414 -1.629 -10.929 -17.078 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -1.847 -9.025 -18.654 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -2.955 -8.842 -17.273 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -1.451 -7.892 -17.340 1.00 0.00 H new ATOM 0 HD21 LEU A 414 0.354 -10.153 -18.348 1.00 0.00 H new ATOM 0 HD22 LEU A 414 0.752 -9.022 -17.033 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.822 -10.777 -16.748 1.00 0.00 H new ATOM 1000 N ALA A 415 -2.458 -12.238 -13.893 1.00 0.00 N ATOM 1001 CA ALA A 415 -2.679 -13.711 -13.875 1.00 0.00 C ATOM 1002 C ALA A 415 -4.177 -13.995 -14.000 1.00 0.00 C ATOM 1003 O ALA A 415 -4.584 -15.058 -14.423 1.00 0.00 O ATOM 1004 CB ALA A 415 -2.155 -14.294 -12.561 1.00 0.00 C ATOM 0 H ALA A 415 -1.930 -11.866 -13.103 1.00 0.00 H new ATOM 0 HA ALA A 415 -2.147 -14.171 -14.708 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -2.318 -15.372 -12.550 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -1.089 -14.087 -12.471 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -2.685 -13.839 -11.724 1.00 0.00 H new ATOM 1010 N THR A 416 -4.998 -13.049 -13.635 1.00 0.00 N ATOM 1011 CA THR A 416 -6.469 -13.259 -13.734 1.00 0.00 C ATOM 1012 C THR A 416 -6.904 -13.135 -15.197 1.00 0.00 C ATOM 1013 O THR A 416 -7.843 -13.774 -15.631 1.00 0.00 O ATOM 1014 CB THR A 416 -7.190 -12.202 -12.895 1.00 0.00 C ATOM 1015 OG1 THR A 416 -6.889 -12.405 -11.521 1.00 0.00 O ATOM 1016 CG2 THR A 416 -8.698 -12.314 -13.112 1.00 0.00 C ATOM 0 H THR A 416 -4.713 -12.139 -13.272 1.00 0.00 H new ATOM 0 HA THR A 416 -6.722 -14.252 -13.363 1.00 0.00 H new ATOM 0 HB THR A 416 -6.857 -11.209 -13.198 1.00 0.00 H new ATOM 0 HG1 THR A 416 -7.349 -11.728 -10.982 1.00 0.00 H new ATOM 0 HG21 THR A 416 -9.209 -11.560 -12.513 1.00 0.00 H new ATOM 0 HG22 THR A 416 -8.927 -12.156 -14.166 1.00 0.00 H new ATOM 0 HG23 THR A 416 -9.036 -13.306 -12.812 1.00 0.00 H new