USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 466 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 420 MET CE :methyl 142:sc= -0.42 (180deg=-3.4!) USER MOD Single : A 423 THR OG1 : rot 180:sc= 0.497 USER MOD Single : A 425 LYS NZ :NH3+ 162:sc= -0.0575 (180deg=-0.441) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 73:sc= 1.02 USER MOD Single : A 445 HIS : no HD1:sc= -3.45! C(o=-3.4!,f=-7.8!) USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 451 HIS : no HE2:sc= 0.474 K(o=0.47,f=-5.7!) USER MOD Single : A 452 CYS SG : rot 52:sc= -1.13! USER MOD Single : A 456 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0278) USER MOD Single : A 458 ASN : amide:sc= -3.64! C(o=-3.6!,f=-2.9!) USER MOD Single : A 459 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 SER OG : rot -44:sc= 0.197 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 469 ASN : amide:sc= -0.0347 K(o=-0.035,f=-1.9!) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 GLN : amide:sc=-0.00715 K(o=-0.0071,f=-1.5) USER MOD Single : A 478 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 8.626 -5.637 10.812 1.00 0.00 N ATOM 19 CA GLU A 418 7.485 -5.181 9.966 1.00 0.00 C ATOM 20 C GLU A 418 7.870 -3.921 9.192 1.00 0.00 C ATOM 21 O GLU A 418 8.839 -3.257 9.505 1.00 0.00 O ATOM 22 CB GLU A 418 6.278 -4.876 10.857 1.00 0.00 C ATOM 23 CG GLU A 418 5.740 -6.177 11.477 1.00 0.00 C ATOM 24 CD GLU A 418 6.574 -6.553 12.705 1.00 0.00 C ATOM 25 OE1 GLU A 418 7.559 -5.883 12.960 1.00 0.00 O ATOM 26 OE2 GLU A 418 6.214 -7.513 13.367 1.00 0.00 O ATOM 0 HA GLU A 418 7.234 -5.971 9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 418 6.564 -4.179 11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.496 -4.392 10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 418 4.695 -6.050 11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 418 5.775 -6.982 10.743 1.00 0.00 H new ATOM 33 N VAL A 419 7.104 -3.589 8.180 1.00 0.00 N ATOM 34 CA VAL A 419 7.393 -2.373 7.360 1.00 0.00 C ATOM 35 C VAL A 419 6.254 -1.370 7.526 1.00 0.00 C ATOM 36 O VAL A 419 5.089 -1.707 7.425 1.00 0.00 O ATOM 37 CB VAL A 419 7.526 -2.774 5.890 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.735 -3.694 5.737 1.00 0.00 C ATOM 39 CG2 VAL A 419 6.264 -3.511 5.430 1.00 0.00 C ATOM 0 H VAL A 419 6.282 -4.116 7.885 1.00 0.00 H new ATOM 0 HA VAL A 419 8.325 -1.915 7.692 1.00 0.00 H new ATOM 0 HB VAL A 419 7.655 -1.880 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.840 -3.987 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.635 -3.169 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.595 -4.584 6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 419 6.368 -3.792 4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 419 6.126 -4.408 6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.399 -2.858 5.546 1.00 0.00 H new ATOM 49 N MET A 420 6.587 -0.137 7.800 1.00 0.00 N ATOM 50 CA MET A 420 5.543 0.906 7.999 1.00 0.00 C ATOM 51 C MET A 420 5.356 1.701 6.711 1.00 0.00 C ATOM 52 O MET A 420 6.311 2.079 6.062 1.00 0.00 O ATOM 53 CB MET A 420 5.992 1.850 9.115 1.00 0.00 C ATOM 54 CG MET A 420 4.820 2.723 9.545 1.00 0.00 C ATOM 55 SD MET A 420 5.344 3.795 10.908 1.00 0.00 S ATOM 56 CE MET A 420 6.534 4.799 9.982 1.00 0.00 C ATOM 0 H MET A 420 7.547 0.194 7.895 1.00 0.00 H new ATOM 0 HA MET A 420 4.599 0.432 8.268 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.362 1.276 9.964 1.00 0.00 H new ATOM 0 HB3 MET A 420 6.816 2.474 8.768 1.00 0.00 H new ATOM 0 HG2 MET A 420 4.473 3.325 8.706 1.00 0.00 H new ATOM 0 HG3 MET A 420 3.982 2.100 9.858 1.00 0.00 H new ATOM 0 HE1 MET A 420 6.479 5.834 10.321 1.00 0.00 H new ATOM 0 HE2 MET A 420 7.541 4.416 10.149 1.00 0.00 H new ATOM 0 HE3 MET A 420 6.300 4.752 8.919 1.00 0.00 H new ATOM 66 N VAL A 421 4.125 1.966 6.344 1.00 0.00 N ATOM 67 CA VAL A 421 3.845 2.750 5.102 1.00 0.00 C ATOM 68 C VAL A 421 3.073 4.009 5.479 1.00 0.00 C ATOM 69 O VAL A 421 2.506 4.104 6.554 1.00 0.00 O ATOM 70 CB VAL A 421 3.010 1.910 4.131 1.00 0.00 C ATOM 71 CG1 VAL A 421 3.820 0.693 3.689 1.00 0.00 C ATOM 72 CG2 VAL A 421 1.724 1.442 4.819 1.00 0.00 C ATOM 0 H VAL A 421 3.295 1.669 6.858 1.00 0.00 H new ATOM 0 HA VAL A 421 4.785 3.018 4.619 1.00 0.00 H new ATOM 0 HB VAL A 421 2.752 2.516 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.228 0.093 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 421 4.732 1.024 3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.079 0.092 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.135 0.845 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 421 1.977 0.838 5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.144 2.309 5.134 1.00 0.00 H new ATOM 82 N PHE A 422 3.062 4.985 4.604 1.00 0.00 N ATOM 83 CA PHE A 422 2.347 6.263 4.892 1.00 0.00 C ATOM 84 C PHE A 422 1.188 6.438 3.915 1.00 0.00 C ATOM 85 O PHE A 422 1.323 6.241 2.723 1.00 0.00 O ATOM 86 CB PHE A 422 3.326 7.423 4.716 1.00 0.00 C ATOM 87 CG PHE A 422 4.311 7.433 5.859 1.00 0.00 C ATOM 88 CD1 PHE A 422 3.995 8.097 7.048 1.00 0.00 C ATOM 89 CD2 PHE A 422 5.542 6.779 5.726 1.00 0.00 C ATOM 90 CE1 PHE A 422 4.910 8.110 8.107 1.00 0.00 C ATOM 91 CE2 PHE A 422 6.458 6.792 6.786 1.00 0.00 C ATOM 92 CZ PHE A 422 6.141 7.456 7.977 1.00 0.00 C ATOM 0 H PHE A 422 3.523 4.948 3.695 1.00 0.00 H new ATOM 0 HA PHE A 422 1.960 6.244 5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.855 7.325 3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.784 8.368 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 422 3.045 8.600 7.149 1.00 0.00 H new ATOM 0 HD2 PHE A 422 5.785 6.265 4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 422 4.666 8.625 9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 422 7.409 6.290 6.684 1.00 0.00 H new ATOM 0 HZ PHE A 422 6.846 7.464 8.795 1.00 0.00 H new ATOM 102 N THR A 423 0.048 6.816 4.422 1.00 0.00 N ATOM 103 CA THR A 423 -1.150 7.024 3.556 1.00 0.00 C ATOM 104 C THR A 423 -1.275 8.524 3.262 1.00 0.00 C ATOM 105 O THR A 423 -0.646 9.340 3.907 1.00 0.00 O ATOM 106 CB THR A 423 -2.417 6.514 4.296 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.368 7.565 4.405 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.055 6.018 5.698 1.00 0.00 C ATOM 0 H THR A 423 -0.108 6.993 5.414 1.00 0.00 H new ATOM 0 HA THR A 423 -1.048 6.472 2.621 1.00 0.00 H new ATOM 0 HB THR A 423 -2.842 5.689 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 423 -4.165 7.238 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 423 -2.954 5.664 6.202 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.337 5.201 5.621 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.615 6.835 6.271 1.00 0.00 H new ATOM 116 N PRO A 424 -2.088 8.889 2.306 1.00 0.00 N ATOM 117 CA PRO A 424 -2.303 10.321 1.937 1.00 0.00 C ATOM 118 C PRO A 424 -2.935 11.110 3.092 1.00 0.00 C ATOM 119 O PRO A 424 -2.945 12.324 3.097 1.00 0.00 O ATOM 120 CB PRO A 424 -3.248 10.253 0.718 1.00 0.00 C ATOM 121 CG PRO A 424 -3.907 8.914 0.810 1.00 0.00 C ATOM 122 CD PRO A 424 -2.888 7.984 1.463 1.00 0.00 C ATOM 0 HA PRO A 424 -1.370 10.839 1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -3.984 11.057 0.744 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -2.695 10.357 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.820 8.969 1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -4.190 8.550 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -3.374 7.209 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -2.272 7.478 0.720 1.00 0.00 H new ATOM 130 N LYS A 425 -3.465 10.423 4.069 1.00 0.00 N ATOM 131 CA LYS A 425 -4.096 11.125 5.221 1.00 0.00 C ATOM 132 C LYS A 425 -3.018 11.459 6.260 1.00 0.00 C ATOM 133 O LYS A 425 -3.271 12.140 7.235 1.00 0.00 O ATOM 134 CB LYS A 425 -5.145 10.205 5.851 1.00 0.00 C ATOM 135 CG LYS A 425 -6.307 10.008 4.873 1.00 0.00 C ATOM 136 CD LYS A 425 -7.356 9.089 5.502 1.00 0.00 C ATOM 137 CE LYS A 425 -8.555 8.959 4.560 1.00 0.00 C ATOM 138 NZ LYS A 425 -8.122 8.313 3.288 1.00 0.00 N ATOM 0 H LYS A 425 -3.487 9.404 4.118 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.571 12.045 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -4.698 9.242 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -5.510 10.637 6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -6.754 10.971 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -5.942 9.576 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -6.925 8.107 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -7.677 9.491 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -9.339 8.367 5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -8.978 9.942 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -8.955 7.950 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -7.633 9.012 2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -7.476 7.526 3.501 1.00 0.00 H new ATOM 152 N GLY A 426 -1.815 10.992 6.052 1.00 0.00 N ATOM 153 CA GLY A 426 -0.716 11.282 7.020 1.00 0.00 C ATOM 154 C GLY A 426 -0.779 10.276 8.171 1.00 0.00 C ATOM 155 O GLY A 426 -0.133 10.436 9.186 1.00 0.00 O ATOM 0 H GLY A 426 -1.545 10.421 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 426 0.251 11.220 6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -0.812 12.298 7.404 1.00 0.00 H new ATOM 159 N GLU A 427 -1.560 9.240 8.021 1.00 0.00 N ATOM 160 CA GLU A 427 -1.678 8.221 9.104 1.00 0.00 C ATOM 161 C GLU A 427 -0.567 7.179 8.972 1.00 0.00 C ATOM 162 O GLU A 427 0.046 7.036 7.934 1.00 0.00 O ATOM 163 CB GLU A 427 -3.035 7.526 8.999 1.00 0.00 C ATOM 164 CG GLU A 427 -4.153 8.531 9.281 1.00 0.00 C ATOM 165 CD GLU A 427 -4.065 9.005 10.733 1.00 0.00 C ATOM 166 OE1 GLU A 427 -3.436 8.318 11.521 1.00 0.00 O ATOM 167 OE2 GLU A 427 -4.624 10.047 11.030 1.00 0.00 O ATOM 0 H GLU A 427 -2.124 9.055 7.191 1.00 0.00 H new ATOM 0 HA GLU A 427 -1.588 8.718 10.070 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.159 7.099 8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.087 6.701 9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -4.070 9.382 8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -5.124 8.071 9.096 1.00 0.00 H new ATOM 174 N ILE A 428 -0.311 6.448 10.030 1.00 0.00 N ATOM 175 CA ILE A 428 0.754 5.398 10.004 1.00 0.00 C ATOM 176 C ILE A 428 0.098 4.018 9.998 1.00 0.00 C ATOM 177 O ILE A 428 -0.734 3.711 10.829 1.00 0.00 O ATOM 178 CB ILE A 428 1.648 5.558 11.256 1.00 0.00 C ATOM 179 CG1 ILE A 428 2.765 6.573 10.968 1.00 0.00 C ATOM 180 CG2 ILE A 428 2.284 4.212 11.645 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.178 7.854 10.367 1.00 0.00 C ATOM 0 H ILE A 428 -0.801 6.536 10.920 1.00 0.00 H new ATOM 0 HA ILE A 428 1.367 5.504 9.109 1.00 0.00 H new ATOM 0 HB ILE A 428 1.026 5.909 12.079 1.00 0.00 H new ATOM 0 HG12 ILE A 428 3.299 6.807 11.889 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.491 6.140 10.280 1.00 0.00 H new ATOM 0 HG21 ILE A 428 2.909 4.347 12.528 1.00 0.00 H new ATOM 0 HG22 ILE A 428 1.499 3.488 11.863 1.00 0.00 H new ATOM 0 HG23 ILE A 428 2.895 3.847 10.820 1.00 0.00 H new ATOM 0 HD11 ILE A 428 2.981 8.564 10.168 1.00 0.00 H new ATOM 0 HD12 ILE A 428 1.665 7.617 9.435 1.00 0.00 H new ATOM 0 HD13 ILE A 428 1.470 8.294 11.069 1.00 0.00 H new ATOM 193 N LYS A 429 0.494 3.178 9.078 1.00 0.00 N ATOM 194 CA LYS A 429 -0.072 1.801 9.012 1.00 0.00 C ATOM 195 C LYS A 429 1.077 0.798 8.956 1.00 0.00 C ATOM 196 O LYS A 429 1.930 0.858 8.093 1.00 0.00 O ATOM 197 CB LYS A 429 -0.940 1.682 7.758 1.00 0.00 C ATOM 198 CG LYS A 429 -2.054 2.742 7.783 1.00 0.00 C ATOM 199 CD LYS A 429 -3.135 2.357 8.800 1.00 0.00 C ATOM 200 CE LYS A 429 -4.269 3.377 8.751 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.325 2.975 9.721 1.00 0.00 N ATOM 0 H LYS A 429 1.191 3.390 8.364 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.684 1.596 9.891 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.325 1.811 6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.377 0.685 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.634 3.714 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.496 2.838 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.518 1.361 8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.709 2.320 9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -3.893 4.370 8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.683 3.431 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.102 3.665 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.689 2.034 9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -4.922 2.944 10.679 1.00 0.00 H new ATOM 215 N ARG A 430 1.105 -0.123 9.887 1.00 0.00 N ATOM 216 CA ARG A 430 2.195 -1.143 9.919 1.00 0.00 C ATOM 217 C ARG A 430 1.663 -2.455 9.358 1.00 0.00 C ATOM 218 O ARG A 430 0.633 -2.942 9.781 1.00 0.00 O ATOM 219 CB ARG A 430 2.648 -1.348 11.366 1.00 0.00 C ATOM 220 CG ARG A 430 3.235 -0.037 11.895 1.00 0.00 C ATOM 221 CD ARG A 430 3.623 -0.192 13.370 1.00 0.00 C ATOM 222 NE ARG A 430 4.870 -1.004 13.474 1.00 0.00 N ATOM 223 CZ ARG A 430 5.355 -1.323 14.649 1.00 0.00 C ATOM 224 NH1 ARG A 430 4.759 -0.925 15.739 1.00 0.00 N ATOM 225 NH2 ARG A 430 6.446 -2.037 14.731 1.00 0.00 N ATOM 0 H ARG A 430 0.413 -0.211 10.631 1.00 0.00 H new ATOM 0 HA ARG A 430 3.040 -0.806 9.319 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.806 -1.660 11.984 1.00 0.00 H new ATOM 0 HB3 ARG A 430 3.393 -2.142 11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 430 4.110 0.242 11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 430 2.508 0.767 11.785 1.00 0.00 H new ATOM 0 HD2 ARG A 430 3.776 0.788 13.822 1.00 0.00 H new ATOM 0 HD3 ARG A 430 2.815 -0.674 13.921 1.00 0.00 H new ATOM 0 HE ARG A 430 5.347 -1.312 12.627 1.00 0.00 H new ATOM 0 HH11 ARG A 430 3.910 -0.362 15.680 1.00 0.00 H new ATOM 0 HH12 ARG A 430 5.142 -1.177 16.650 1.00 0.00 H new ATOM 0 HH21 ARG A 430 6.919 -2.345 13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 430 6.825 -2.286 15.645 1.00 0.00 H new ATOM 239 N LEU A 431 2.355 -3.023 8.399 1.00 0.00 N ATOM 240 CA LEU A 431 1.896 -4.306 7.779 1.00 0.00 C ATOM 241 C LEU A 431 2.954 -5.397 8.017 1.00 0.00 C ATOM 242 O LEU A 431 4.109 -5.096 8.247 1.00 0.00 O ATOM 243 CB LEU A 431 1.706 -4.110 6.270 1.00 0.00 C ATOM 244 CG LEU A 431 1.018 -2.770 5.996 1.00 0.00 C ATOM 245 CD1 LEU A 431 0.941 -2.537 4.486 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.396 -2.797 6.582 1.00 0.00 C ATOM 0 H LEU A 431 3.224 -2.650 8.017 1.00 0.00 H new ATOM 0 HA LEU A 431 0.950 -4.605 8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 431 2.672 -4.141 5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.108 -4.925 5.862 1.00 0.00 H new ATOM 0 HG LEU A 431 1.589 -1.965 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 431 0.451 -1.583 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 431 1.948 -2.521 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.369 -3.341 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -0.888 -1.844 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.967 -3.601 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.341 -2.965 7.658 1.00 0.00 H new ATOM 258 N PRO A 432 2.576 -6.657 7.950 1.00 0.00 N ATOM 259 CA PRO A 432 3.534 -7.794 8.152 1.00 0.00 C ATOM 260 C PRO A 432 4.693 -7.787 7.139 1.00 0.00 C ATOM 261 O PRO A 432 4.555 -7.343 6.017 1.00 0.00 O ATOM 262 CB PRO A 432 2.666 -9.057 7.970 1.00 0.00 C ATOM 263 CG PRO A 432 1.258 -8.600 8.169 1.00 0.00 C ATOM 264 CD PRO A 432 1.210 -7.154 7.685 1.00 0.00 C ATOM 0 HA PRO A 432 4.014 -7.734 9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.803 -9.489 6.979 1.00 0.00 H new ATOM 0 HB3 PRO A 432 2.935 -9.827 8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 432 0.563 -9.223 7.606 1.00 0.00 H new ATOM 0 HG3 PRO A 432 0.970 -8.670 9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 432 0.959 -7.093 6.626 1.00 0.00 H new ATOM 0 HD3 PRO A 432 0.460 -6.575 8.224 1.00 0.00 H new ATOM 272 N GLN A 433 5.837 -8.271 7.545 1.00 0.00 N ATOM 273 CA GLN A 433 7.018 -8.290 6.634 1.00 0.00 C ATOM 274 C GLN A 433 6.694 -9.067 5.356 1.00 0.00 C ATOM 275 O GLN A 433 6.142 -10.150 5.391 1.00 0.00 O ATOM 276 CB GLN A 433 8.197 -8.956 7.348 1.00 0.00 C ATOM 277 CG GLN A 433 9.431 -8.914 6.441 1.00 0.00 C ATOM 278 CD GLN A 433 10.636 -9.496 7.180 1.00 0.00 C ATOM 279 OE1 GLN A 433 10.630 -10.647 7.565 1.00 0.00 O ATOM 280 NE2 GLN A 433 11.681 -8.743 7.393 1.00 0.00 N ATOM 0 H GLN A 433 6.005 -8.656 8.474 1.00 0.00 H new ATOM 0 HA GLN A 433 7.275 -7.265 6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.405 -8.443 8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 433 7.950 -9.988 7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 433 9.243 -9.481 5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 433 9.638 -7.887 6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 433 11.687 -7.776 7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 433 12.492 -9.122 7.883 1.00 0.00 H new ATOM 289 N GLY A 434 7.053 -8.519 4.224 1.00 0.00 N ATOM 290 CA GLY A 434 6.786 -9.208 2.930 1.00 0.00 C ATOM 291 C GLY A 434 5.351 -8.917 2.493 1.00 0.00 C ATOM 292 O GLY A 434 4.815 -9.558 1.613 1.00 0.00 O ATOM 0 H GLY A 434 7.523 -7.617 4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 434 7.487 -8.864 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 434 6.935 -10.282 3.039 1.00 0.00 H new ATOM 296 N ALA A 435 4.721 -7.954 3.109 1.00 0.00 N ATOM 297 CA ALA A 435 3.315 -7.622 2.745 1.00 0.00 C ATOM 298 C ALA A 435 3.245 -7.129 1.299 1.00 0.00 C ATOM 299 O ALA A 435 4.250 -6.846 0.677 1.00 0.00 O ATOM 300 CB ALA A 435 2.796 -6.526 3.677 1.00 0.00 C ATOM 0 H ALA A 435 5.122 -7.381 3.852 1.00 0.00 H new ATOM 0 HA ALA A 435 2.702 -8.518 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 435 1.767 -6.281 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 435 2.832 -6.878 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.418 -5.637 3.575 1.00 0.00 H new ATOM 306 N THR A 436 2.052 -7.033 0.762 1.00 0.00 N ATOM 307 CA THR A 436 1.874 -6.567 -0.649 1.00 0.00 C ATOM 308 C THR A 436 0.867 -5.417 -0.697 1.00 0.00 C ATOM 309 O THR A 436 0.228 -5.087 0.283 1.00 0.00 O ATOM 310 CB THR A 436 1.350 -7.728 -1.499 1.00 0.00 C ATOM 311 OG1 THR A 436 0.067 -8.118 -1.026 1.00 0.00 O ATOM 312 CG2 THR A 436 2.314 -8.912 -1.406 1.00 0.00 C ATOM 0 H THR A 436 1.184 -7.261 1.248 1.00 0.00 H new ATOM 0 HA THR A 436 2.833 -6.222 -1.036 1.00 0.00 H new ATOM 0 HB THR A 436 1.273 -7.410 -2.539 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.271 -8.860 -1.570 1.00 0.00 H new ATOM 0 HG21 THR A 436 1.938 -9.736 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.296 -8.611 -1.772 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.396 -9.233 -0.368 1.00 0.00 H new ATOM 320 N ALA A 437 0.725 -4.805 -1.841 1.00 0.00 N ATOM 321 CA ALA A 437 -0.234 -3.677 -1.985 1.00 0.00 C ATOM 322 C ALA A 437 -1.646 -4.171 -1.658 1.00 0.00 C ATOM 323 O ALA A 437 -2.484 -3.428 -1.187 1.00 0.00 O ATOM 324 CB ALA A 437 -0.187 -3.173 -3.427 1.00 0.00 C ATOM 0 H ALA A 437 1.239 -5.042 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 437 0.031 -2.869 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -0.886 -2.345 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.822 -2.832 -3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.463 -3.981 -4.104 1.00 0.00 H new ATOM 330 N LEU A 438 -1.912 -5.422 -1.912 1.00 0.00 N ATOM 331 CA LEU A 438 -3.263 -5.976 -1.623 1.00 0.00 C ATOM 332 C LEU A 438 -3.529 -5.902 -0.117 1.00 0.00 C ATOM 333 O LEU A 438 -4.600 -5.535 0.318 1.00 0.00 O ATOM 334 CB LEU A 438 -3.304 -7.441 -2.070 1.00 0.00 C ATOM 335 CG LEU A 438 -3.238 -7.533 -3.603 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.038 -8.998 -4.012 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.539 -6.993 -4.233 1.00 0.00 C ATOM 0 H LEU A 438 -1.248 -6.087 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 438 -4.021 -5.402 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.469 -7.986 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.218 -7.913 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.403 -6.930 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -2.990 -9.069 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.108 -9.372 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -3.873 -9.595 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.475 -7.066 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.386 -7.581 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.676 -5.950 -3.947 1.00 0.00 H new ATOM 349 N ASP A 439 -2.553 -6.247 0.678 1.00 0.00 N ATOM 350 CA ASP A 439 -2.726 -6.209 2.158 1.00 0.00 C ATOM 351 C ASP A 439 -2.993 -4.772 2.611 1.00 0.00 C ATOM 352 O ASP A 439 -3.818 -4.519 3.466 1.00 0.00 O ATOM 353 CB ASP A 439 -1.444 -6.718 2.817 1.00 0.00 C ATOM 354 CG ASP A 439 -1.326 -8.230 2.619 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.315 -8.841 2.248 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.246 -8.753 2.839 1.00 0.00 O ATOM 0 H ASP A 439 -1.634 -6.557 0.362 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.569 -6.837 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -0.578 -6.217 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.452 -6.481 3.881 1.00 0.00 H new ATOM 361 N PHE A 440 -2.291 -3.833 2.046 1.00 0.00 N ATOM 362 CA PHE A 440 -2.482 -2.406 2.430 1.00 0.00 C ATOM 363 C PHE A 440 -3.917 -1.970 2.122 1.00 0.00 C ATOM 364 O PHE A 440 -4.552 -1.295 2.907 1.00 0.00 O ATOM 365 CB PHE A 440 -1.495 -1.546 1.642 1.00 0.00 C ATOM 366 CG PHE A 440 -1.729 -0.083 1.945 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.543 0.401 3.246 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.124 0.792 0.925 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.750 1.757 3.526 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.333 2.146 1.205 1.00 0.00 C ATOM 371 CZ PHE A 440 -2.146 2.629 2.504 1.00 0.00 C ATOM 0 H PHE A 440 -1.585 -3.993 1.327 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.303 -2.285 3.498 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.473 -1.821 1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.613 -1.728 0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -1.240 -0.272 4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.267 0.420 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.604 2.130 4.529 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.639 2.819 0.418 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.307 3.675 2.719 1.00 0.00 H new ATOM 381 N ALA A 441 -4.426 -2.337 0.980 1.00 0.00 N ATOM 382 CA ALA A 441 -5.815 -1.936 0.615 1.00 0.00 C ATOM 383 C ALA A 441 -6.790 -2.449 1.676 1.00 0.00 C ATOM 384 O ALA A 441 -7.674 -1.742 2.118 1.00 0.00 O ATOM 385 CB ALA A 441 -6.170 -2.554 -0.737 1.00 0.00 C ATOM 0 H ALA A 441 -3.940 -2.899 0.281 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.882 -0.850 0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.185 -2.267 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.473 -2.197 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -6.106 -3.640 -0.669 1.00 0.00 H new ATOM 391 N TYR A 442 -6.633 -3.677 2.086 1.00 0.00 N ATOM 392 CA TYR A 442 -7.544 -4.247 3.121 1.00 0.00 C ATOM 393 C TYR A 442 -7.341 -3.503 4.443 1.00 0.00 C ATOM 394 O TYR A 442 -8.267 -3.300 5.203 1.00 0.00 O ATOM 395 CB TYR A 442 -7.223 -5.730 3.320 1.00 0.00 C ATOM 396 CG TYR A 442 -7.682 -6.530 2.116 1.00 0.00 C ATOM 397 CD1 TYR A 442 -9.045 -6.598 1.797 1.00 0.00 C ATOM 398 CD2 TYR A 442 -6.747 -7.207 1.321 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.468 -7.339 0.688 1.00 0.00 C ATOM 400 CE2 TYR A 442 -7.172 -7.948 0.212 1.00 0.00 C ATOM 401 CZ TYR A 442 -8.532 -8.013 -0.105 1.00 0.00 C ATOM 402 OH TYR A 442 -8.952 -8.743 -1.198 1.00 0.00 O ATOM 0 H TYR A 442 -5.911 -4.313 1.748 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.578 -4.137 2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.151 -5.861 3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.715 -6.099 4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -9.769 -6.078 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -5.696 -7.157 1.565 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.519 -7.391 0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -6.450 -8.469 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 442 -8.176 -9.147 -1.640 1.00 0.00 H new ATOM 412 N SER A 443 -6.131 -3.115 4.730 1.00 0.00 N ATOM 413 CA SER A 443 -5.853 -2.399 6.007 1.00 0.00 C ATOM 414 C SER A 443 -6.694 -1.123 6.078 1.00 0.00 C ATOM 415 O SER A 443 -7.228 -0.776 7.112 1.00 0.00 O ATOM 416 CB SER A 443 -4.371 -2.029 6.055 1.00 0.00 C ATOM 417 OG SER A 443 -3.585 -3.201 5.883 1.00 0.00 O ATOM 0 H SER A 443 -5.318 -3.263 4.132 1.00 0.00 H new ATOM 0 HA SER A 443 -6.105 -3.043 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.140 -1.305 5.273 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.134 -1.556 7.008 1.00 0.00 H new ATOM 0 HG SER A 443 -3.628 -3.489 4.947 1.00 0.00 H new ATOM 423 N LEU A 444 -6.803 -0.415 4.989 1.00 0.00 N ATOM 424 CA LEU A 444 -7.596 0.846 4.992 1.00 0.00 C ATOM 425 C LEU A 444 -9.082 0.519 5.154 1.00 0.00 C ATOM 426 O LEU A 444 -9.642 0.662 6.223 1.00 0.00 O ATOM 427 CB LEU A 444 -7.384 1.576 3.666 1.00 0.00 C ATOM 428 CG LEU A 444 -5.889 1.818 3.435 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.693 2.502 2.078 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.323 2.709 4.554 1.00 0.00 C ATOM 0 H LEU A 444 -6.376 -0.656 4.095 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.271 1.477 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.796 0.987 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -7.918 2.526 3.675 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.361 0.864 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.630 2.677 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.086 1.862 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.223 3.455 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.260 2.877 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -5.845 3.666 4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.462 2.217 5.517 1.00 0.00 H new ATOM 442 N HIS A 445 -9.723 0.088 4.095 1.00 0.00 N ATOM 443 CA HIS A 445 -11.180 -0.248 4.161 1.00 0.00 C ATOM 444 C HIS A 445 -11.386 -1.687 3.688 1.00 0.00 C ATOM 445 O HIS A 445 -10.516 -2.526 3.824 1.00 0.00 O ATOM 446 CB HIS A 445 -11.957 0.697 3.243 1.00 0.00 C ATOM 447 CG HIS A 445 -11.521 2.115 3.493 1.00 0.00 C ATOM 448 ND1 HIS A 445 -10.236 2.552 3.220 1.00 0.00 N ATOM 449 CD2 HIS A 445 -12.192 3.208 3.983 1.00 0.00 C ATOM 450 CE1 HIS A 445 -10.172 3.855 3.545 1.00 0.00 C ATOM 451 NE2 HIS A 445 -11.338 4.305 4.015 1.00 0.00 N ATOM 0 H HIS A 445 -9.295 -0.047 3.179 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.535 -0.142 5.186 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.784 0.431 2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -13.027 0.598 3.424 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -13.226 3.215 4.296 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -9.286 4.463 3.439 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -11.556 5.250 4.330 1.00 0.00 H new ATOM 459 N SER A 446 -12.538 -1.976 3.133 1.00 0.00 N ATOM 460 CA SER A 446 -12.834 -3.360 2.644 1.00 0.00 C ATOM 461 C SER A 446 -13.329 -3.289 1.197 1.00 0.00 C ATOM 462 O SER A 446 -12.653 -3.698 0.273 1.00 0.00 O ATOM 463 CB SER A 446 -13.927 -3.971 3.520 1.00 0.00 C ATOM 464 OG SER A 446 -13.376 -4.324 4.781 1.00 0.00 O ATOM 0 H SER A 446 -13.294 -1.305 2.996 1.00 0.00 H new ATOM 0 HA SER A 446 -11.933 -3.972 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 446 -14.742 -3.260 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 446 -14.348 -4.852 3.035 1.00 0.00 H new ATOM 0 HG SER A 446 -14.075 -4.715 5.346 1.00 0.00 H new ATOM 470 N ASP A 447 -14.513 -2.782 0.997 1.00 0.00 N ATOM 471 CA ASP A 447 -15.067 -2.686 -0.380 1.00 0.00 C ATOM 472 C ASP A 447 -14.211 -1.734 -1.218 1.00 0.00 C ATOM 473 O ASP A 447 -13.975 -1.959 -2.387 1.00 0.00 O ATOM 474 CB ASP A 447 -16.499 -2.154 -0.309 1.00 0.00 C ATOM 475 CG ASP A 447 -17.421 -3.238 0.254 1.00 0.00 C ATOM 476 OD1 ASP A 447 -16.998 -4.382 0.305 1.00 0.00 O ATOM 477 OD2 ASP A 447 -18.535 -2.906 0.626 1.00 0.00 O ATOM 0 H ASP A 447 -15.124 -2.428 1.733 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.062 -3.673 -0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -16.537 -1.266 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -16.836 -1.855 -1.301 1.00 0.00 H new ATOM 482 N LEU A 448 -13.764 -0.656 -0.635 1.00 0.00 N ATOM 483 CA LEU A 448 -12.946 0.323 -1.407 1.00 0.00 C ATOM 484 C LEU A 448 -11.660 -0.363 -1.881 1.00 0.00 C ATOM 485 O LEU A 448 -11.244 -0.221 -3.014 1.00 0.00 O ATOM 486 CB LEU A 448 -12.597 1.505 -0.482 1.00 0.00 C ATOM 487 CG LEU A 448 -12.415 2.797 -1.298 1.00 0.00 C ATOM 488 CD1 LEU A 448 -11.379 2.572 -2.407 1.00 0.00 C ATOM 489 CD2 LEU A 448 -13.767 3.239 -1.914 1.00 0.00 C ATOM 0 H LEU A 448 -13.929 -0.410 0.341 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.500 0.684 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -13.388 1.643 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.683 1.285 0.069 1.00 0.00 H new ATOM 0 HG LEU A 448 -12.060 3.586 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -11.255 3.490 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -10.425 2.291 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.720 1.775 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -13.623 4.154 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -14.142 2.454 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -14.488 3.420 -1.117 1.00 0.00 H new ATOM 501 N GLY A 449 -11.025 -1.096 -1.010 1.00 0.00 N ATOM 502 CA GLY A 449 -9.763 -1.786 -1.387 1.00 0.00 C ATOM 503 C GLY A 449 -10.052 -2.855 -2.444 1.00 0.00 C ATOM 504 O GLY A 449 -9.278 -3.066 -3.355 1.00 0.00 O ATOM 0 H GLY A 449 -11.329 -1.247 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -9.045 -1.064 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.312 -2.244 -0.507 1.00 0.00 H new ATOM 508 N ASP A 450 -11.157 -3.535 -2.322 1.00 0.00 N ATOM 509 CA ASP A 450 -11.503 -4.594 -3.312 1.00 0.00 C ATOM 510 C ASP A 450 -11.718 -3.960 -4.688 1.00 0.00 C ATOM 511 O ASP A 450 -11.346 -4.513 -5.705 1.00 0.00 O ATOM 512 CB ASP A 450 -12.788 -5.293 -2.867 1.00 0.00 C ATOM 513 CG ASP A 450 -13.159 -6.383 -3.873 1.00 0.00 C ATOM 514 OD1 ASP A 450 -12.381 -7.310 -4.027 1.00 0.00 O ATOM 515 OD2 ASP A 450 -14.215 -6.272 -4.472 1.00 0.00 O ATOM 0 H ASP A 450 -11.839 -3.403 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 450 -10.691 -5.318 -3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -12.652 -5.730 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.598 -4.568 -2.787 1.00 0.00 H new ATOM 520 N HIS A 451 -12.321 -2.806 -4.724 1.00 0.00 N ATOM 521 CA HIS A 451 -12.569 -2.129 -6.026 1.00 0.00 C ATOM 522 C HIS A 451 -11.276 -1.460 -6.500 1.00 0.00 C ATOM 523 O HIS A 451 -11.298 -0.470 -7.202 1.00 0.00 O ATOM 524 CB HIS A 451 -13.664 -1.074 -5.841 1.00 0.00 C ATOM 525 CG HIS A 451 -14.983 -1.755 -5.584 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.536 -1.849 -4.314 1.00 0.00 N ATOM 527 CD2 HIS A 451 -15.869 -2.384 -6.424 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.702 -2.511 -4.427 1.00 0.00 C ATOM 529 NE2 HIS A 451 -16.953 -2.861 -5.691 1.00 0.00 N ATOM 0 H HIS A 451 -12.654 -2.300 -3.904 1.00 0.00 H new ATOM 0 HA HIS A 451 -12.891 -2.857 -6.771 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -13.414 -0.418 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.734 -0.448 -6.730 1.00 0.00 H new ATOM 0 HD1 HIS A 451 -15.132 -1.483 -3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -15.744 -2.492 -7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.356 -2.732 -3.596 1.00 0.00 H new ATOM 537 N CYS A 452 -10.147 -1.991 -6.112 1.00 0.00 N ATOM 538 CA CYS A 452 -8.854 -1.384 -6.530 1.00 0.00 C ATOM 539 C CYS A 452 -8.527 -1.801 -7.964 1.00 0.00 C ATOM 540 O CYS A 452 -8.458 -2.972 -8.283 1.00 0.00 O ATOM 541 CB CYS A 452 -7.742 -1.863 -5.590 1.00 0.00 C ATOM 542 SG CYS A 452 -6.125 -1.450 -6.294 1.00 0.00 S ATOM 0 H CYS A 452 -10.066 -2.820 -5.523 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.931 -0.298 -6.482 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -7.853 -1.395 -4.612 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -7.819 -2.940 -5.439 1.00 0.00 H new ATOM 0 HG CYS A 452 -6.098 -0.189 -6.608 1.00 0.00 H new ATOM 548 N ILE A 453 -8.320 -0.843 -8.831 1.00 0.00 N ATOM 549 CA ILE A 453 -7.989 -1.160 -10.250 1.00 0.00 C ATOM 550 C ILE A 453 -6.473 -1.086 -10.442 1.00 0.00 C ATOM 551 O ILE A 453 -5.955 -1.392 -11.497 1.00 0.00 O ATOM 552 CB ILE A 453 -8.680 -0.143 -11.168 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.286 1.285 -10.763 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.197 -0.303 -11.045 1.00 0.00 C ATOM 555 CD1 ILE A 453 -8.782 2.273 -11.822 1.00 0.00 C ATOM 0 H ILE A 453 -8.367 0.152 -8.613 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.335 -2.164 -10.498 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.369 -0.321 -12.198 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -8.716 1.530 -9.792 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.203 1.359 -10.660 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.693 0.418 -11.695 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.481 -1.313 -11.339 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.499 -0.127 -10.012 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -8.502 3.286 -11.534 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -8.331 2.032 -12.784 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -9.867 2.206 -11.903 1.00 0.00 H new ATOM 567 N GLY A 454 -5.754 -0.680 -9.431 1.00 0.00 N ATOM 568 CA GLY A 454 -4.276 -0.592 -9.572 1.00 0.00 C ATOM 569 C GLY A 454 -3.658 0.000 -8.305 1.00 0.00 C ATOM 570 O GLY A 454 -4.346 0.334 -7.362 1.00 0.00 O ATOM 0 H GLY A 454 -6.124 -0.408 -8.520 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.862 -1.583 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.022 0.027 -10.433 1.00 0.00 H new ATOM 574 N ALA A 455 -2.356 0.133 -8.283 1.00 0.00 N ATOM 575 CA ALA A 455 -1.671 0.704 -7.086 1.00 0.00 C ATOM 576 C ALA A 455 -0.551 1.630 -7.546 1.00 0.00 C ATOM 577 O ALA A 455 0.044 1.426 -8.585 1.00 0.00 O ATOM 578 CB ALA A 455 -1.073 -0.430 -6.252 1.00 0.00 C ATOM 0 H ALA A 455 -1.735 -0.131 -9.048 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.390 1.261 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.573 -0.014 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.868 -1.103 -5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.352 -0.983 -6.854 1.00 0.00 H new ATOM 584 N LYS A 456 -0.253 2.644 -6.774 1.00 0.00 N ATOM 585 CA LYS A 456 0.838 3.591 -7.154 1.00 0.00 C ATOM 586 C LYS A 456 1.744 3.811 -5.944 1.00 0.00 C ATOM 587 O LYS A 456 1.299 4.227 -4.893 1.00 0.00 O ATOM 588 CB LYS A 456 0.217 4.927 -7.594 1.00 0.00 C ATOM 589 CG LYS A 456 1.187 5.674 -8.512 1.00 0.00 C ATOM 590 CD LYS A 456 0.504 6.925 -9.064 1.00 0.00 C ATOM 591 CE LYS A 456 1.457 7.639 -10.023 1.00 0.00 C ATOM 592 NZ LYS A 456 1.445 6.942 -11.340 1.00 0.00 N ATOM 0 H LYS A 456 -0.721 2.857 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 456 1.424 3.181 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.724 4.747 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 456 -0.013 5.537 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 456 2.086 5.950 -7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 456 1.501 5.027 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 456 -0.415 6.653 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 456 0.225 7.591 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 456 1.155 8.679 -10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 456 2.467 7.647 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 2.416 6.873 -11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 1.050 5.987 -11.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.860 7.479 -12.012 1.00 0.00 H new ATOM 606 N VAL A 457 3.015 3.530 -6.090 1.00 0.00 N ATOM 607 CA VAL A 457 3.976 3.710 -4.959 1.00 0.00 C ATOM 608 C VAL A 457 5.107 4.648 -5.389 1.00 0.00 C ATOM 609 O VAL A 457 5.681 4.502 -6.451 1.00 0.00 O ATOM 610 CB VAL A 457 4.549 2.345 -4.569 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.717 2.534 -3.597 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.454 1.516 -3.894 1.00 0.00 C ATOM 0 H VAL A 457 3.431 3.180 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 457 3.462 4.147 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 457 4.905 1.830 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.122 1.560 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.495 3.129 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.366 3.047 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 457 3.856 0.542 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 457 3.103 2.034 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.622 1.380 -4.585 1.00 0.00 H new ATOM 622 N ASN A 458 5.425 5.608 -4.563 1.00 0.00 N ATOM 623 CA ASN A 458 6.517 6.566 -4.894 1.00 0.00 C ATOM 624 C ASN A 458 6.228 7.234 -6.239 1.00 0.00 C ATOM 625 O ASN A 458 7.107 7.402 -7.062 1.00 0.00 O ATOM 626 CB ASN A 458 7.865 5.837 -4.934 1.00 0.00 C ATOM 627 CG ASN A 458 8.263 5.445 -3.509 1.00 0.00 C ATOM 628 OD1 ASN A 458 7.722 5.964 -2.553 1.00 0.00 O ATOM 629 ND2 ASN A 458 9.194 4.550 -3.324 1.00 0.00 N ATOM 0 H ASN A 458 4.970 5.770 -3.665 1.00 0.00 H new ATOM 0 HA ASN A 458 6.565 7.335 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.794 4.949 -5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 458 8.627 6.480 -5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 458 9.467 4.286 -2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 458 9.649 4.114 -4.126 1.00 0.00 H new ATOM 636 N HIS A 459 4.996 7.613 -6.461 1.00 0.00 N ATOM 637 CA HIS A 459 4.613 8.280 -7.739 1.00 0.00 C ATOM 638 C HIS A 459 4.973 7.383 -8.921 1.00 0.00 C ATOM 639 O HIS A 459 4.946 7.807 -10.059 1.00 0.00 O ATOM 640 CB HIS A 459 5.334 9.626 -7.873 1.00 0.00 C ATOM 641 CG HIS A 459 4.797 10.578 -6.841 1.00 0.00 C ATOM 642 ND1 HIS A 459 5.301 10.632 -5.552 1.00 0.00 N ATOM 643 CD2 HIS A 459 3.798 11.518 -6.894 1.00 0.00 C ATOM 644 CE1 HIS A 459 4.610 11.574 -4.887 1.00 0.00 C ATOM 645 NE2 HIS A 459 3.682 12.146 -5.658 1.00 0.00 N ATOM 0 H HIS A 459 4.229 7.486 -5.801 1.00 0.00 H new ATOM 0 HA HIS A 459 3.537 8.455 -7.734 1.00 0.00 H new ATOM 0 HB2 HIS A 459 6.407 9.492 -7.739 1.00 0.00 H new ATOM 0 HB3 HIS A 459 5.186 10.033 -8.873 1.00 0.00 H new ATOM 0 HD2 HIS A 459 3.194 11.737 -7.762 1.00 0.00 H new ATOM 0 HE1 HIS A 459 4.784 11.836 -3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 459 3.029 12.884 -5.397 1.00 0.00 H new ATOM 653 N LYS A 460 5.304 6.142 -8.658 1.00 0.00 N ATOM 654 CA LYS A 460 5.664 5.195 -9.759 1.00 0.00 C ATOM 655 C LYS A 460 4.642 4.061 -9.816 1.00 0.00 C ATOM 656 O LYS A 460 4.239 3.515 -8.808 1.00 0.00 O ATOM 657 CB LYS A 460 7.056 4.620 -9.502 1.00 0.00 C ATOM 658 CG LYS A 460 7.447 3.712 -10.670 1.00 0.00 C ATOM 659 CD LYS A 460 8.869 3.195 -10.462 1.00 0.00 C ATOM 660 CE LYS A 460 9.258 2.302 -11.640 1.00 0.00 C ATOM 661 NZ LYS A 460 10.652 1.811 -11.452 1.00 0.00 N ATOM 0 H LYS A 460 5.340 5.742 -7.720 1.00 0.00 H new ATOM 0 HA LYS A 460 5.662 5.728 -10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.782 5.426 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.064 4.057 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 460 6.752 2.876 -10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.383 4.262 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.564 4.031 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 460 8.932 2.634 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 460 8.571 1.459 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 460 9.180 2.859 -12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 10.917 1.203 -12.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 11.302 2.621 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 10.712 1.265 -10.569 1.00 0.00 H new ATOM 675 N LEU A 461 4.218 3.711 -10.998 1.00 0.00 N ATOM 676 CA LEU A 461 3.217 2.620 -11.146 1.00 0.00 C ATOM 677 C LEU A 461 3.836 1.287 -10.727 1.00 0.00 C ATOM 678 O LEU A 461 4.942 0.959 -11.108 1.00 0.00 O ATOM 679 CB LEU A 461 2.767 2.549 -12.611 1.00 0.00 C ATOM 680 CG LEU A 461 1.810 1.364 -12.823 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.618 1.469 -11.861 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.303 1.382 -14.271 1.00 0.00 C ATOM 0 H LEU A 461 4.524 4.137 -11.873 1.00 0.00 H new ATOM 0 HA LEU A 461 2.357 2.823 -10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.272 3.479 -12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 461 3.636 2.443 -13.260 1.00 0.00 H new ATOM 0 HG LEU A 461 2.341 0.432 -12.627 1.00 0.00 H new ATOM 0 HD11 LEU A 461 -0.053 0.625 -12.020 1.00 0.00 H new ATOM 0 HD12 LEU A 461 0.978 1.457 -10.832 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.081 2.399 -12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 461 0.624 0.544 -14.429 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.776 2.317 -14.460 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.149 1.297 -14.954 1.00 0.00 H new ATOM 694 N VAL A 462 3.122 0.509 -9.951 1.00 0.00 N ATOM 695 CA VAL A 462 3.654 -0.814 -9.508 1.00 0.00 C ATOM 696 C VAL A 462 2.510 -1.841 -9.489 1.00 0.00 C ATOM 697 O VAL A 462 1.365 -1.490 -9.283 1.00 0.00 O ATOM 698 CB VAL A 462 4.247 -0.677 -8.102 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.602 0.026 -8.188 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.301 0.144 -7.221 1.00 0.00 C ATOM 0 H VAL A 462 2.190 0.736 -9.605 1.00 0.00 H new ATOM 0 HA VAL A 462 4.430 -1.148 -10.197 1.00 0.00 H new ATOM 0 HB VAL A 462 4.377 -1.668 -7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.025 0.124 -7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.277 -0.560 -8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.471 1.016 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 462 3.726 0.240 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.168 1.135 -7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.335 -0.357 -7.158 1.00 0.00 H new ATOM 710 N PRO A 463 2.813 -3.102 -9.704 1.00 0.00 N ATOM 711 CA PRO A 463 1.784 -4.187 -9.711 1.00 0.00 C ATOM 712 C PRO A 463 1.161 -4.434 -8.326 1.00 0.00 C ATOM 713 O PRO A 463 1.693 -4.045 -7.306 1.00 0.00 O ATOM 714 CB PRO A 463 2.552 -5.429 -10.201 1.00 0.00 C ATOM 715 CG PRO A 463 3.992 -5.152 -9.893 1.00 0.00 C ATOM 716 CD PRO A 463 4.163 -3.634 -9.973 1.00 0.00 C ATOM 0 HA PRO A 463 0.938 -3.926 -10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.208 -6.330 -9.693 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.402 -5.588 -11.269 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.256 -5.521 -8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.646 -5.655 -10.605 1.00 0.00 H new ATOM 0 HD2 PRO A 463 4.885 -3.276 -9.240 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.524 -3.325 -10.954 1.00 0.00 H new ATOM 724 N LEU A 464 0.025 -5.077 -8.305 1.00 0.00 N ATOM 725 CA LEU A 464 -0.670 -5.367 -7.018 1.00 0.00 C ATOM 726 C LEU A 464 0.206 -6.289 -6.161 1.00 0.00 C ATOM 727 O LEU A 464 0.293 -6.138 -4.959 1.00 0.00 O ATOM 728 CB LEU A 464 -2.004 -6.061 -7.324 1.00 0.00 C ATOM 729 CG LEU A 464 -3.048 -5.021 -7.744 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.616 -4.364 -9.060 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.402 -5.711 -7.939 1.00 0.00 C ATOM 0 H LEU A 464 -0.457 -5.418 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.851 -4.440 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.868 -6.795 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.352 -6.604 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 464 -3.134 -4.259 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.359 -3.624 -9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.652 -3.875 -8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.530 -5.125 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -5.147 -4.973 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.314 -6.472 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.710 -6.179 -7.004 1.00 0.00 H new ATOM 743 N SER A 465 0.841 -7.253 -6.769 1.00 0.00 N ATOM 744 CA SER A 465 1.700 -8.191 -5.992 1.00 0.00 C ATOM 745 C SER A 465 3.016 -7.493 -5.638 1.00 0.00 C ATOM 746 O SER A 465 3.944 -8.102 -5.145 1.00 0.00 O ATOM 747 CB SER A 465 1.982 -9.430 -6.843 1.00 0.00 C ATOM 748 OG SER A 465 2.508 -10.463 -6.019 1.00 0.00 O ATOM 0 H SER A 465 0.802 -7.432 -7.772 1.00 0.00 H new ATOM 0 HA SER A 465 1.193 -8.489 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 465 1.066 -9.768 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 465 2.690 -9.186 -7.635 1.00 0.00 H new ATOM 0 HG SER A 465 3.183 -10.088 -5.415 1.00 0.00 H new ATOM 754 N TYR A 466 3.102 -6.218 -5.902 1.00 0.00 N ATOM 755 CA TYR A 466 4.353 -5.466 -5.602 1.00 0.00 C ATOM 756 C TYR A 466 4.656 -5.505 -4.100 1.00 0.00 C ATOM 757 O TYR A 466 3.790 -5.310 -3.271 1.00 0.00 O ATOM 758 CB TYR A 466 4.178 -4.016 -6.054 1.00 0.00 C ATOM 759 CG TYR A 466 5.394 -3.213 -5.661 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.572 -3.314 -6.411 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.343 -2.366 -4.548 1.00 0.00 C ATOM 762 CE1 TYR A 466 7.699 -2.569 -6.047 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.470 -1.622 -4.183 1.00 0.00 C ATOM 764 CZ TYR A 466 7.649 -1.723 -4.932 1.00 0.00 C ATOM 765 OH TYR A 466 8.760 -0.989 -4.573 1.00 0.00 O ATOM 0 H TYR A 466 2.354 -5.661 -6.316 1.00 0.00 H new ATOM 0 HA TYR A 466 5.186 -5.927 -6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.037 -3.976 -7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.285 -3.588 -5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.611 -3.967 -7.270 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.434 -2.287 -3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.607 -2.646 -6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.431 -0.969 -3.323 1.00 0.00 H new ATOM 0 HH TYR A 466 8.555 -0.454 -3.778 1.00 0.00 H new ATOM 775 N VAL A 467 5.891 -5.759 -3.751 1.00 0.00 N ATOM 776 CA VAL A 467 6.272 -5.817 -2.313 1.00 0.00 C ATOM 777 C VAL A 467 6.386 -4.399 -1.744 1.00 0.00 C ATOM 778 O VAL A 467 7.029 -3.537 -2.310 1.00 0.00 O ATOM 779 CB VAL A 467 7.614 -6.538 -2.185 1.00 0.00 C ATOM 780 CG1 VAL A 467 8.094 -6.481 -0.734 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.439 -7.998 -2.610 1.00 0.00 C ATOM 0 H VAL A 467 6.654 -5.929 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 467 5.509 -6.357 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 467 8.352 -6.054 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 467 9.051 -6.996 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 467 8.213 -5.441 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.361 -6.966 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.392 -8.519 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.702 -8.478 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.099 -8.037 -3.645 1.00 0.00 H new ATOM 791 N LEU A 468 5.754 -4.156 -0.629 1.00 0.00 N ATOM 792 CA LEU A 468 5.798 -2.802 -0.010 1.00 0.00 C ATOM 793 C LEU A 468 7.118 -2.598 0.732 1.00 0.00 C ATOM 794 O LEU A 468 7.686 -3.523 1.278 1.00 0.00 O ATOM 795 CB LEU A 468 4.637 -2.671 0.974 1.00 0.00 C ATOM 796 CG LEU A 468 3.312 -2.895 0.236 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.160 -2.836 1.242 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.114 -1.814 -0.843 1.00 0.00 C ATOM 0 H LEU A 468 5.204 -4.845 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 468 5.717 -2.047 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.745 -3.398 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.646 -1.683 1.434 1.00 0.00 H new ATOM 0 HG LEU A 468 3.331 -3.872 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.215 -2.995 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.295 -3.612 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.149 -1.859 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.170 -1.984 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.099 -0.830 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.934 -1.861 -1.560 1.00 0.00 H new ATOM 810 N ASN A 469 7.600 -1.378 0.758 1.00 0.00 N ATOM 811 CA ASN A 469 8.883 -1.070 1.464 1.00 0.00 C ATOM 812 C ASN A 469 8.654 0.057 2.471 1.00 0.00 C ATOM 813 O ASN A 469 7.865 0.954 2.254 1.00 0.00 O ATOM 814 CB ASN A 469 9.927 -0.635 0.442 1.00 0.00 C ATOM 815 CG ASN A 469 10.368 -1.847 -0.376 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.175 -2.973 0.036 1.00 0.00 O ATOM 817 ND2 ASN A 469 10.951 -1.664 -1.527 1.00 0.00 N ATOM 0 H ASN A 469 7.154 -0.575 0.315 1.00 0.00 H new ATOM 0 HA ASN A 469 9.233 -1.958 1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.513 0.130 -0.215 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.785 -0.191 0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 469 11.246 -2.467 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 469 11.113 -0.718 -1.872 1.00 0.00 H new ATOM 824 N SER A 470 9.336 0.002 3.581 1.00 0.00 N ATOM 825 CA SER A 470 9.166 1.046 4.629 1.00 0.00 C ATOM 826 C SER A 470 9.649 2.409 4.124 1.00 0.00 C ATOM 827 O SER A 470 10.608 2.512 3.384 1.00 0.00 O ATOM 828 CB SER A 470 9.974 0.644 5.859 1.00 0.00 C ATOM 829 OG SER A 470 11.358 0.681 5.542 1.00 0.00 O ATOM 0 H SER A 470 10.010 -0.729 3.809 1.00 0.00 H new ATOM 0 HA SER A 470 8.108 1.128 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 470 9.760 1.321 6.686 1.00 0.00 H new ATOM 0 HB3 SER A 470 9.690 -0.357 6.184 1.00 0.00 H new ATOM 0 HG SER A 470 11.881 0.425 6.330 1.00 0.00 H new ATOM 835 N GLY A 471 8.989 3.459 4.543 1.00 0.00 N ATOM 836 CA GLY A 471 9.390 4.832 4.120 1.00 0.00 C ATOM 837 C GLY A 471 8.659 5.195 2.827 1.00 0.00 C ATOM 838 O GLY A 471 8.337 6.340 2.582 1.00 0.00 O ATOM 0 H GLY A 471 8.182 3.421 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.148 5.551 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.468 4.878 3.967 1.00 0.00 H new ATOM 842 N ASP A 472 8.401 4.225 1.993 1.00 0.00 N ATOM 843 CA ASP A 472 7.702 4.502 0.706 1.00 0.00 C ATOM 844 C ASP A 472 6.223 4.811 0.946 1.00 0.00 C ATOM 845 O ASP A 472 5.593 4.262 1.828 1.00 0.00 O ATOM 846 CB ASP A 472 7.819 3.284 -0.208 1.00 0.00 C ATOM 847 CG ASP A 472 9.261 3.160 -0.702 1.00 0.00 C ATOM 848 OD1 ASP A 472 10.036 4.063 -0.437 1.00 0.00 O ATOM 849 OD2 ASP A 472 9.563 2.167 -1.342 1.00 0.00 O ATOM 0 H ASP A 472 8.646 3.247 2.149 1.00 0.00 H new ATOM 0 HA ASP A 472 8.169 5.369 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.528 2.382 0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 472 7.140 3.384 -1.055 1.00 0.00 H new ATOM 854 N GLN A 473 5.664 5.686 0.150 1.00 0.00 N ATOM 855 CA GLN A 473 4.224 6.038 0.306 1.00 0.00 C ATOM 856 C GLN A 473 3.389 5.109 -0.573 1.00 0.00 C ATOM 857 O GLN A 473 3.761 4.795 -1.687 1.00 0.00 O ATOM 858 CB GLN A 473 4.005 7.484 -0.142 1.00 0.00 C ATOM 859 CG GLN A 473 2.539 7.864 0.071 1.00 0.00 C ATOM 860 CD GLN A 473 2.332 9.336 -0.284 1.00 0.00 C ATOM 861 OE1 GLN A 473 3.279 10.092 -0.370 1.00 0.00 O ATOM 862 NE2 GLN A 473 1.122 9.777 -0.493 1.00 0.00 N ATOM 0 H GLN A 473 6.147 6.173 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 473 3.928 5.930 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.652 8.154 0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.272 7.595 -1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.897 7.237 -0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.254 7.686 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 473 0.328 9.141 -0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 473 0.970 10.758 -0.729 1.00 0.00 H new ATOM 871 N VAL A 474 2.263 4.662 -0.074 1.00 0.00 N ATOM 872 CA VAL A 474 1.388 3.739 -0.861 1.00 0.00 C ATOM 873 C VAL A 474 0.049 4.411 -1.152 1.00 0.00 C ATOM 874 O VAL A 474 -0.589 4.962 -0.278 1.00 0.00 O ATOM 875 CB VAL A 474 1.161 2.464 -0.052 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.264 1.511 -0.842 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.511 1.795 0.211 1.00 0.00 C ATOM 0 H VAL A 474 1.910 4.899 0.853 1.00 0.00 H new ATOM 0 HA VAL A 474 1.870 3.496 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 474 0.680 2.708 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.102 0.601 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.694 1.992 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 474 0.744 1.260 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.359 0.883 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 474 2.986 1.548 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.152 2.476 0.771 1.00 0.00 H new ATOM 887 N GLU A 475 -0.381 4.356 -2.387 1.00 0.00 N ATOM 888 CA GLU A 475 -1.683 4.972 -2.773 1.00 0.00 C ATOM 889 C GLU A 475 -2.440 3.999 -3.682 1.00 0.00 C ATOM 890 O GLU A 475 -2.016 3.703 -4.781 1.00 0.00 O ATOM 891 CB GLU A 475 -1.415 6.281 -3.519 1.00 0.00 C ATOM 892 CG GLU A 475 -2.743 6.943 -3.879 1.00 0.00 C ATOM 893 CD GLU A 475 -2.478 8.289 -4.554 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.339 8.535 -4.913 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.419 9.050 -4.701 1.00 0.00 O ATOM 0 H GLU A 475 0.122 3.905 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.281 5.180 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.819 6.950 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.837 6.085 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.314 6.297 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.344 7.087 -2.981 1.00 0.00 H new ATOM 902 N VAL A 476 -3.552 3.488 -3.223 1.00 0.00 N ATOM 903 CA VAL A 476 -4.333 2.520 -4.049 1.00 0.00 C ATOM 904 C VAL A 476 -5.235 3.271 -5.032 1.00 0.00 C ATOM 905 O VAL A 476 -5.872 4.246 -4.687 1.00 0.00 O ATOM 906 CB VAL A 476 -5.189 1.640 -3.134 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.273 0.801 -2.242 1.00 0.00 C ATOM 908 CG2 VAL A 476 -6.087 2.517 -2.258 1.00 0.00 C ATOM 0 H VAL A 476 -3.954 3.700 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.640 1.895 -4.613 1.00 0.00 H new ATOM 0 HB VAL A 476 -5.813 0.986 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -4.878 0.172 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -3.637 0.171 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.651 1.460 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.693 1.884 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.469 3.175 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.740 3.117 -2.892 1.00 0.00 H new ATOM 918 N LEU A 477 -5.286 2.822 -6.259 1.00 0.00 N ATOM 919 CA LEU A 477 -6.136 3.502 -7.281 1.00 0.00 C ATOM 920 C LEU A 477 -7.504 2.824 -7.343 1.00 0.00 C ATOM 921 O LEU A 477 -7.629 1.676 -7.719 1.00 0.00 O ATOM 922 CB LEU A 477 -5.449 3.402 -8.644 1.00 0.00 C ATOM 923 CG LEU A 477 -4.043 4.011 -8.555 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.343 3.873 -9.910 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.136 5.498 -8.169 1.00 0.00 C ATOM 0 H LEU A 477 -4.772 2.009 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.270 4.550 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.386 2.359 -8.956 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -6.036 3.925 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.471 3.483 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.344 4.305 -9.849 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.267 2.818 -10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -3.919 4.397 -10.672 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.133 5.922 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.711 6.034 -8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.629 5.593 -7.201 1.00 0.00 H new ATOM 937 N SER A 478 -8.532 3.534 -6.963 1.00 0.00 N ATOM 938 CA SER A 478 -9.902 2.954 -6.980 1.00 0.00 C ATOM 939 C SER A 478 -10.527 3.113 -8.369 1.00 0.00 C ATOM 940 O SER A 478 -9.977 3.755 -9.243 1.00 0.00 O ATOM 941 CB SER A 478 -10.762 3.682 -5.948 1.00 0.00 C ATOM 942 OG SER A 478 -10.939 5.032 -6.354 1.00 0.00 O ATOM 0 H SER A 478 -8.479 4.500 -6.639 1.00 0.00 H new ATOM 0 HA SER A 478 -9.847 1.892 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 478 -11.729 3.189 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 478 -10.285 3.644 -4.968 1.00 0.00 H new ATOM 0 HG SER A 478 -11.492 5.502 -5.695 1.00 0.00 H new