USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=13 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 149:sc= -0.125 (180deg=-2.48) USER MOD Single : A 423 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 LYS NZ :NH3+ -148:sc= 1.21 (180deg=0.0373) USER MOD Single : A 433 GLN : amide:sc= 0 K(o=0,f=-1.3!) 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 83:sc= 0.92 USER MOD Single : A 445 HIS : no HD1:sc= -2.38 K(o=-2.4,f=-5.2!) USER MOD Single : A 446 SER OG : rot -63:sc= -0.323! USER MOD Single : A 451 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.85) USER MOD Single : A 452 CYS SG : rot -97:sc= -0.617! USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 ASN : amide:sc= -0.49 K(o=-0.49,f=-5.6!) USER MOD Single : A 459 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 460 LYS NZ :NH3+ 160:sc= -0.0522 (180deg=-0.588) USER MOD Single : A 465 SER OG : rot 180:sc= 0 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 469 ASN : amide:sc= -0.078 K(o=-0.078,f=-1.9!) USER MOD Single : A 470 SER OG : rot 164:sc= -1.39 USER MOD Single : A 473 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 478 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 8.365 -5.645 11.324 1.00 0.00 N ATOM 19 CA GLU A 418 7.242 -5.170 10.455 1.00 0.00 C ATOM 20 C GLU A 418 7.711 -3.988 9.611 1.00 0.00 C ATOM 21 O GLU A 418 8.743 -3.398 9.866 1.00 0.00 O ATOM 22 CB GLU A 418 6.066 -4.728 11.329 1.00 0.00 C ATOM 23 CG GLU A 418 5.472 -5.941 12.062 1.00 0.00 C ATOM 24 CD GLU A 418 6.302 -6.254 13.310 1.00 0.00 C ATOM 25 OE1 GLU A 418 7.318 -5.608 13.502 1.00 0.00 O ATOM 26 OE2 GLU A 418 5.903 -7.134 14.054 1.00 0.00 O ATOM 0 HA GLU A 418 6.927 -5.984 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 418 6.399 -3.983 12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.302 -4.255 10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 418 4.439 -5.737 12.344 1.00 0.00 H new ATOM 0 HG3 GLU A 418 5.456 -6.806 11.399 1.00 0.00 H new ATOM 33 N VAL A 419 6.950 -3.645 8.602 1.00 0.00 N ATOM 34 CA VAL A 419 7.322 -2.505 7.710 1.00 0.00 C ATOM 35 C VAL A 419 6.299 -1.380 7.862 1.00 0.00 C ATOM 36 O VAL A 419 5.104 -1.595 7.820 1.00 0.00 O ATOM 37 CB VAL A 419 7.358 -2.986 6.257 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.603 -3.847 6.047 1.00 0.00 C ATOM 39 CG2 VAL A 419 6.110 -3.820 5.950 1.00 0.00 C ATOM 0 H VAL A 419 6.077 -4.112 8.356 1.00 0.00 H new ATOM 0 HA VAL A 419 8.307 -2.130 7.988 1.00 0.00 H new ATOM 0 HB VAL A 419 7.383 -2.123 5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.636 -4.194 5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.494 -3.256 6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.568 -4.706 6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 419 6.144 -4.158 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 419 6.078 -4.685 6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.219 -3.212 6.104 1.00 0.00 H new ATOM 49 N MET A 420 6.773 -0.177 8.052 1.00 0.00 N ATOM 50 CA MET A 420 5.854 0.985 8.225 1.00 0.00 C ATOM 51 C MET A 420 5.642 1.687 6.886 1.00 0.00 C ATOM 52 O MET A 420 6.573 1.928 6.139 1.00 0.00 O ATOM 53 CB MET A 420 6.471 1.969 9.219 1.00 0.00 C ATOM 54 CG MET A 420 5.504 3.132 9.452 1.00 0.00 C ATOM 55 SD MET A 420 6.178 4.235 10.721 1.00 0.00 S ATOM 56 CE MET A 420 7.604 4.837 9.783 1.00 0.00 C ATOM 0 H MET A 420 7.766 0.052 8.095 1.00 0.00 H new ATOM 0 HA MET A 420 4.893 0.631 8.599 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.684 1.465 10.162 1.00 0.00 H new ATOM 0 HB3 MET A 420 7.420 2.343 8.836 1.00 0.00 H new ATOM 0 HG2 MET A 420 5.349 3.681 8.523 1.00 0.00 H new ATOM 0 HG3 MET A 420 4.531 2.753 9.765 1.00 0.00 H new ATOM 0 HE1 MET A 420 7.836 5.858 10.088 1.00 0.00 H new ATOM 0 HE2 MET A 420 8.464 4.196 9.977 1.00 0.00 H new ATOM 0 HE3 MET A 420 7.372 4.820 8.718 1.00 0.00 H new ATOM 66 N VAL A 421 4.416 2.022 6.585 1.00 0.00 N ATOM 67 CA VAL A 421 4.101 2.721 5.303 1.00 0.00 C ATOM 68 C VAL A 421 3.198 3.916 5.593 1.00 0.00 C ATOM 69 O VAL A 421 2.628 4.032 6.665 1.00 0.00 O ATOM 70 CB VAL A 421 3.398 1.760 4.345 1.00 0.00 C ATOM 71 CG1 VAL A 421 4.361 0.637 3.967 1.00 0.00 C ATOM 72 CG2 VAL A 421 2.159 1.160 5.020 1.00 0.00 C ATOM 0 H VAL A 421 3.608 1.839 7.180 1.00 0.00 H new ATOM 0 HA VAL A 421 5.026 3.066 4.840 1.00 0.00 H new ATOM 0 HB VAL A 421 3.090 2.303 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.866 -0.052 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 421 5.241 1.060 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.665 0.101 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.664 0.476 4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 421 2.460 0.617 5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.471 1.960 5.294 1.00 0.00 H new ATOM 82 N PHE A 422 3.074 4.812 4.647 1.00 0.00 N ATOM 83 CA PHE A 422 2.222 6.026 4.848 1.00 0.00 C ATOM 84 C PHE A 422 1.085 6.030 3.834 1.00 0.00 C ATOM 85 O PHE A 422 1.253 5.669 2.684 1.00 0.00 O ATOM 86 CB PHE A 422 3.076 7.275 4.646 1.00 0.00 C ATOM 87 CG PHE A 422 4.217 7.264 5.632 1.00 0.00 C ATOM 88 CD1 PHE A 422 4.060 7.855 6.891 1.00 0.00 C ATOM 89 CD2 PHE A 422 5.433 6.660 5.288 1.00 0.00 C ATOM 90 CE1 PHE A 422 5.119 7.844 7.806 1.00 0.00 C ATOM 91 CE2 PHE A 422 6.492 6.648 6.205 1.00 0.00 C ATOM 92 CZ PHE A 422 6.335 7.241 7.463 1.00 0.00 C ATOM 0 H PHE A 422 3.530 4.755 3.736 1.00 0.00 H new ATOM 0 HA PHE A 422 1.808 6.015 5.856 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.461 7.305 3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.470 8.170 4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 422 3.122 8.319 7.156 1.00 0.00 H new ATOM 0 HD2 PHE A 422 5.554 6.204 4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 422 4.998 8.301 8.777 1.00 0.00 H new ATOM 0 HE2 PHE A 422 7.430 6.181 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 422 7.152 7.233 8.169 1.00 0.00 H new ATOM 102 N THR A 423 -0.075 6.443 4.263 1.00 0.00 N ATOM 103 CA THR A 423 -1.258 6.484 3.354 1.00 0.00 C ATOM 104 C THR A 423 -1.449 7.923 2.853 1.00 0.00 C ATOM 105 O THR A 423 -0.748 8.826 3.269 1.00 0.00 O ATOM 106 CB THR A 423 -2.519 6.020 4.124 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.367 7.135 4.378 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.122 5.386 5.459 1.00 0.00 C ATOM 0 H THR A 423 -0.257 6.758 5.216 1.00 0.00 H new ATOM 0 HA THR A 423 -1.099 5.820 2.505 1.00 0.00 H new ATOM 0 HB THR A 423 -3.045 5.285 3.515 1.00 0.00 H new ATOM 0 HG1 THR A 423 -4.164 6.836 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 423 -3.018 5.064 5.990 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.480 4.524 5.276 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.585 6.117 6.063 1.00 0.00 H new ATOM 116 N PRO A 424 -2.401 8.139 1.979 1.00 0.00 N ATOM 117 CA PRO A 424 -2.695 9.499 1.428 1.00 0.00 C ATOM 118 C PRO A 424 -2.968 10.522 2.542 1.00 0.00 C ATOM 119 O PRO A 424 -2.654 11.691 2.425 1.00 0.00 O ATOM 120 CB PRO A 424 -3.959 9.280 0.576 1.00 0.00 C ATOM 121 CG PRO A 424 -3.951 7.828 0.231 1.00 0.00 C ATOM 122 CD PRO A 424 -3.301 7.120 1.416 1.00 0.00 C ATOM 0 HA PRO A 424 -1.855 9.903 0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -4.859 9.548 1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -3.941 9.898 -0.322 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.964 7.461 0.064 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -3.391 7.648 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -4.043 6.795 2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -2.753 6.232 1.101 1.00 0.00 H new ATOM 130 N LYS A 425 -3.561 10.085 3.617 1.00 0.00 N ATOM 131 CA LYS A 425 -3.872 11.016 4.741 1.00 0.00 C ATOM 132 C LYS A 425 -2.616 11.225 5.596 1.00 0.00 C ATOM 133 O LYS A 425 -2.604 12.003 6.531 1.00 0.00 O ATOM 134 CB LYS A 425 -4.985 10.405 5.595 1.00 0.00 C ATOM 135 CG LYS A 425 -6.268 10.296 4.763 1.00 0.00 C ATOM 136 CD LYS A 425 -7.420 9.782 5.638 1.00 0.00 C ATOM 137 CE LYS A 425 -7.221 8.297 5.965 1.00 0.00 C ATOM 138 NZ LYS A 425 -8.496 7.730 6.484 1.00 0.00 N ATOM 0 H LYS A 425 -3.846 9.117 3.768 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.198 11.979 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -4.685 9.419 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -5.162 11.022 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -6.524 11.270 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -6.110 9.620 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -7.471 10.360 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -8.369 9.923 5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -6.906 7.756 5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -6.430 8.179 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -8.363 6.723 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -8.778 8.240 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -9.239 7.830 5.763 1.00 0.00 H new ATOM 152 N GLY A 426 -1.559 10.527 5.277 1.00 0.00 N ATOM 153 CA GLY A 426 -0.295 10.670 6.062 1.00 0.00 C ATOM 154 C GLY A 426 -0.383 9.831 7.342 1.00 0.00 C ATOM 155 O GLY A 426 0.438 9.942 8.233 1.00 0.00 O ATOM 0 H GLY A 426 -1.515 9.862 4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 426 0.556 10.347 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -0.128 11.717 6.313 1.00 0.00 H new ATOM 159 N GLU A 427 -1.379 9.000 7.438 1.00 0.00 N ATOM 160 CA GLU A 427 -1.542 8.158 8.658 1.00 0.00 C ATOM 161 C GLU A 427 -0.475 7.061 8.703 1.00 0.00 C ATOM 162 O GLU A 427 0.077 6.660 7.695 1.00 0.00 O ATOM 163 CB GLU A 427 -2.934 7.526 8.653 1.00 0.00 C ATOM 164 CG GLU A 427 -3.158 6.772 9.965 1.00 0.00 C ATOM 165 CD GLU A 427 -4.599 6.264 10.027 1.00 0.00 C ATOM 166 OE1 GLU A 427 -5.403 6.727 9.234 1.00 0.00 O ATOM 167 OE2 GLU A 427 -4.874 5.422 10.865 1.00 0.00 O ATOM 0 H GLU A 427 -2.092 8.865 6.722 1.00 0.00 H new ATOM 0 HA GLU A 427 -1.426 8.788 9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.694 8.297 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.032 6.844 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -2.464 5.935 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -2.957 7.428 10.812 1.00 0.00 H new ATOM 174 N ILE A 428 -0.176 6.578 9.881 1.00 0.00 N ATOM 175 CA ILE A 428 0.860 5.515 10.030 1.00 0.00 C ATOM 176 C ILE A 428 0.197 4.138 10.081 1.00 0.00 C ATOM 177 O ILE A 428 -0.667 3.878 10.899 1.00 0.00 O ATOM 178 CB ILE A 428 1.634 5.760 11.326 1.00 0.00 C ATOM 179 CG1 ILE A 428 2.016 7.244 11.417 1.00 0.00 C ATOM 180 CG2 ILE A 428 2.901 4.905 11.348 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.702 7.686 10.119 1.00 0.00 C ATOM 0 H ILE A 428 -0.610 6.878 10.754 1.00 0.00 H new ATOM 0 HA ILE A 428 1.539 5.545 9.178 1.00 0.00 H new ATOM 0 HB ILE A 428 1.007 5.489 12.175 1.00 0.00 H new ATOM 0 HG12 ILE A 428 1.126 7.848 11.592 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.682 7.406 12.264 1.00 0.00 H new ATOM 0 HG21 ILE A 428 3.446 5.086 12.274 1.00 0.00 H new ATOM 0 HG22 ILE A 428 2.630 3.851 11.286 1.00 0.00 H new ATOM 0 HG23 ILE A 428 3.532 5.168 10.499 1.00 0.00 H new ATOM 0 HD11 ILE A 428 2.971 8.740 10.190 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.602 7.092 9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 428 2.021 7.541 9.280 1.00 0.00 H new ATOM 193 N LYS A 429 0.601 3.256 9.203 1.00 0.00 N ATOM 194 CA LYS A 429 0.014 1.880 9.171 1.00 0.00 C ATOM 195 C LYS A 429 1.141 0.857 9.224 1.00 0.00 C ATOM 196 O LYS A 429 2.118 0.951 8.506 1.00 0.00 O ATOM 197 CB LYS A 429 -0.779 1.702 7.876 1.00 0.00 C ATOM 198 CG LYS A 429 -1.908 2.739 7.810 1.00 0.00 C ATOM 199 CD LYS A 429 -2.931 2.479 8.924 1.00 0.00 C ATOM 200 CE LYS A 429 -4.243 3.184 8.591 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.218 2.948 9.691 1.00 0.00 N ATOM 0 H LYS A 429 1.319 3.431 8.500 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.649 1.738 10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.119 1.815 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.194 0.695 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.496 3.743 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.398 2.692 6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.100 1.408 9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.545 2.840 9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -4.073 4.253 8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.642 2.809 7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.181 2.917 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.004 2.043 10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -5.151 3.719 10.386 1.00 0.00 H new ATOM 215 N ARG A 430 1.013 -0.116 10.083 1.00 0.00 N ATOM 216 CA ARG A 430 2.072 -1.160 10.219 1.00 0.00 C ATOM 217 C ARG A 430 1.611 -2.466 9.586 1.00 0.00 C ATOM 218 O ARG A 430 0.492 -2.906 9.780 1.00 0.00 O ATOM 219 CB ARG A 430 2.360 -1.390 11.701 1.00 0.00 C ATOM 220 CG ARG A 430 3.074 -0.165 12.273 1.00 0.00 C ATOM 221 CD ARG A 430 3.336 -0.379 13.762 1.00 0.00 C ATOM 222 NE ARG A 430 4.075 0.795 14.314 1.00 0.00 N ATOM 223 CZ ARG A 430 3.430 1.841 14.762 1.00 0.00 C ATOM 224 NH1 ARG A 430 2.126 1.880 14.726 1.00 0.00 N ATOM 225 NH2 ARG A 430 4.097 2.851 15.246 1.00 0.00 N ATOM 0 H ARG A 430 0.212 -0.235 10.704 1.00 0.00 H new ATOM 0 HA ARG A 430 2.975 -0.821 9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.430 -1.568 12.241 1.00 0.00 H new ATOM 0 HB3 ARG A 430 2.978 -2.279 11.830 1.00 0.00 H new ATOM 0 HG2 ARG A 430 4.014 -0.000 11.747 1.00 0.00 H new ATOM 0 HG3 ARG A 430 2.465 0.727 12.124 1.00 0.00 H new ATOM 0 HD2 ARG A 430 2.393 -0.510 14.292 1.00 0.00 H new ATOM 0 HD3 ARG A 430 3.915 -1.290 13.912 1.00 0.00 H new ATOM 0 HE ARG A 430 5.095 0.781 14.342 1.00 0.00 H new ATOM 0 HH11 ARG A 430 1.602 1.091 14.347 1.00 0.00 H new ATOM 0 HH12 ARG A 430 1.630 2.699 15.077 1.00 0.00 H new ATOM 0 HH21 ARG A 430 5.116 2.823 15.274 1.00 0.00 H new ATOM 0 HH22 ARG A 430 3.600 3.670 15.597 1.00 0.00 H new ATOM 239 N LEU A 431 2.476 -3.094 8.836 1.00 0.00 N ATOM 240 CA LEU A 431 2.119 -4.389 8.182 1.00 0.00 C ATOM 241 C LEU A 431 3.314 -5.347 8.286 1.00 0.00 C ATOM 242 O LEU A 431 4.448 -4.916 8.324 1.00 0.00 O ATOM 243 CB LEU A 431 1.802 -4.140 6.705 1.00 0.00 C ATOM 244 CG LEU A 431 0.402 -3.516 6.571 1.00 0.00 C ATOM 245 CD1 LEU A 431 0.287 -2.793 5.226 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.682 -4.604 6.652 1.00 0.00 C ATOM 0 H LEU A 431 3.422 -2.764 8.646 1.00 0.00 H new ATOM 0 HA LEU A 431 1.249 -4.824 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 431 2.549 -3.476 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.847 -5.077 6.151 1.00 0.00 H new ATOM 0 HG LEU A 431 0.258 -2.808 7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 431 -0.706 -2.352 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 431 1.040 -2.007 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.445 -3.505 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -1.666 -4.145 6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.536 -5.323 5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.613 -5.116 7.612 1.00 0.00 H new ATOM 258 N PRO A 432 3.068 -6.634 8.329 1.00 0.00 N ATOM 259 CA PRO A 432 4.152 -7.652 8.427 1.00 0.00 C ATOM 260 C PRO A 432 4.971 -7.773 7.133 1.00 0.00 C ATOM 261 O PRO A 432 4.516 -7.446 6.054 1.00 0.00 O ATOM 262 CB PRO A 432 3.405 -8.957 8.742 1.00 0.00 C ATOM 263 CG PRO A 432 2.029 -8.762 8.183 1.00 0.00 C ATOM 264 CD PRO A 432 1.734 -7.264 8.290 1.00 0.00 C ATOM 0 HA PRO A 432 4.887 -7.387 9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 432 3.899 -9.814 8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 432 3.372 -9.143 9.815 1.00 0.00 H new ATOM 0 HG2 PRO A 432 1.979 -9.096 7.147 1.00 0.00 H new ATOM 0 HG3 PRO A 432 1.296 -9.344 8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.152 -6.911 7.439 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.159 -7.034 9.187 1.00 0.00 H new ATOM 272 N GLN A 433 6.182 -8.242 7.249 1.00 0.00 N ATOM 273 CA GLN A 433 7.056 -8.396 6.055 1.00 0.00 C ATOM 274 C GLN A 433 6.388 -9.269 4.993 1.00 0.00 C ATOM 275 O GLN A 433 5.547 -10.103 5.272 1.00 0.00 O ATOM 276 CB GLN A 433 8.386 -9.033 6.478 1.00 0.00 C ATOM 277 CG GLN A 433 9.320 -7.954 7.014 1.00 0.00 C ATOM 278 CD GLN A 433 10.634 -8.588 7.476 1.00 0.00 C ATOM 279 OE1 GLN A 433 10.812 -9.789 7.392 1.00 0.00 O ATOM 280 NE2 GLN A 433 11.576 -7.822 7.952 1.00 0.00 N ATOM 0 H GLN A 433 6.607 -8.528 8.131 1.00 0.00 H new ATOM 0 HA GLN A 433 7.232 -7.409 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.212 -9.790 7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 433 8.846 -9.538 5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 433 9.516 -7.212 6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 433 8.847 -7.430 7.844 1.00 0.00 H new ATOM 0 HE21 GLN A 433 11.428 -6.815 8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 433 12.461 -8.230 8.254 1.00 0.00 H new ATOM 289 N GLY A 434 6.777 -9.065 3.766 1.00 0.00 N ATOM 290 CA GLY A 434 6.202 -9.858 2.648 1.00 0.00 C ATOM 291 C GLY A 434 4.821 -9.300 2.287 1.00 0.00 C ATOM 292 O GLY A 434 4.093 -9.863 1.490 1.00 0.00 O ATOM 0 H GLY A 434 7.476 -8.376 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 434 6.861 -9.816 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 434 6.119 -10.906 2.936 1.00 0.00 H new ATOM 296 N ALA A 435 4.456 -8.198 2.877 1.00 0.00 N ATOM 297 CA ALA A 435 3.122 -7.591 2.593 1.00 0.00 C ATOM 298 C ALA A 435 3.082 -7.030 1.169 1.00 0.00 C ATOM 299 O ALA A 435 4.094 -6.667 0.600 1.00 0.00 O ATOM 300 CB ALA A 435 2.853 -6.463 3.586 1.00 0.00 C ATOM 0 H ALA A 435 5.027 -7.686 3.549 1.00 0.00 H new ATOM 0 HA ALA A 435 2.359 -8.363 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 435 1.879 -6.020 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 435 2.862 -6.862 4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.626 -5.701 3.489 1.00 0.00 H new ATOM 306 N THR A 436 1.907 -6.966 0.594 1.00 0.00 N ATOM 307 CA THR A 436 1.761 -6.438 -0.798 1.00 0.00 C ATOM 308 C THR A 436 0.710 -5.328 -0.833 1.00 0.00 C ATOM 309 O THR A 436 0.006 -5.082 0.128 1.00 0.00 O ATOM 310 CB THR A 436 1.334 -7.576 -1.729 1.00 0.00 C ATOM 311 OG1 THR A 436 0.029 -8.012 -1.377 1.00 0.00 O ATOM 312 CG2 THR A 436 2.317 -8.738 -1.595 1.00 0.00 C ATOM 0 H THR A 436 1.035 -7.260 1.033 1.00 0.00 H new ATOM 0 HA THR A 436 2.717 -6.031 -1.128 1.00 0.00 H new ATOM 0 HB THR A 436 1.330 -7.222 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.245 -8.739 -1.974 1.00 0.00 H new ATOM 0 HG21 THR A 436 2.014 -9.549 -2.257 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.317 -8.402 -1.867 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.322 -9.094 -0.565 1.00 0.00 H new ATOM 320 N ALA A 437 0.609 -4.660 -1.946 1.00 0.00 N ATOM 321 CA ALA A 437 -0.380 -3.556 -2.086 1.00 0.00 C ATOM 322 C ALA A 437 -1.788 -4.082 -1.804 1.00 0.00 C ATOM 323 O ALA A 437 -2.665 -3.356 -1.378 1.00 0.00 O ATOM 324 CB ALA A 437 -0.316 -3.023 -3.520 1.00 0.00 C ATOM 0 H ALA A 437 1.177 -4.834 -2.775 1.00 0.00 H new ATOM 0 HA ALA A 437 -0.149 -2.761 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -1.035 -2.213 -3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.688 -2.651 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.555 -3.826 -4.218 1.00 0.00 H new ATOM 330 N LEU A 438 -2.018 -5.334 -2.059 1.00 0.00 N ATOM 331 CA LEU A 438 -3.377 -5.897 -1.823 1.00 0.00 C ATOM 332 C LEU A 438 -3.719 -5.807 -0.328 1.00 0.00 C ATOM 333 O LEU A 438 -4.796 -5.394 0.061 1.00 0.00 O ATOM 334 CB LEU A 438 -3.386 -7.372 -2.267 1.00 0.00 C ATOM 335 CG LEU A 438 -4.793 -7.780 -2.737 1.00 0.00 C ATOM 336 CD1 LEU A 438 -5.818 -7.471 -1.634 1.00 0.00 C ATOM 337 CD2 LEU A 438 -5.158 -7.016 -4.037 1.00 0.00 C ATOM 0 H LEU A 438 -1.329 -5.993 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 438 -4.116 -5.334 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.668 -7.520 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -3.072 -8.010 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.807 -8.850 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -6.813 -7.761 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -5.562 -8.029 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -5.806 -6.403 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -6.155 -7.310 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.140 -5.943 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.435 -7.258 -4.816 1.00 0.00 H new ATOM 349 N ASP A 439 -2.805 -6.200 0.507 1.00 0.00 N ATOM 350 CA ASP A 439 -3.057 -6.158 1.975 1.00 0.00 C ATOM 351 C ASP A 439 -3.241 -4.707 2.425 1.00 0.00 C ATOM 352 O ASP A 439 -4.056 -4.398 3.273 1.00 0.00 O ATOM 353 CB ASP A 439 -1.864 -6.770 2.707 1.00 0.00 C ATOM 354 CG ASP A 439 -1.863 -8.289 2.524 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.874 -8.815 2.089 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.848 -8.901 2.819 1.00 0.00 O ATOM 0 H ASP A 439 -1.886 -6.552 0.237 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.960 -6.723 2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -0.935 -6.348 2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.911 -6.523 3.768 1.00 0.00 H new ATOM 361 N PHE A 440 -2.479 -3.816 1.860 1.00 0.00 N ATOM 362 CA PHE A 440 -2.587 -2.378 2.237 1.00 0.00 C ATOM 363 C PHE A 440 -3.997 -1.866 1.921 1.00 0.00 C ATOM 364 O PHE A 440 -4.614 -1.173 2.708 1.00 0.00 O ATOM 365 CB PHE A 440 -1.561 -1.575 1.437 1.00 0.00 C ATOM 366 CG PHE A 440 -1.566 -0.134 1.893 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.086 0.195 3.164 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.045 0.873 1.044 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.083 1.528 3.590 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.042 2.207 1.470 1.00 0.00 C ATOM 371 CZ PHE A 440 -1.561 2.533 2.743 1.00 0.00 C ATOM 0 H PHE A 440 -1.779 -4.022 1.147 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.396 -2.263 3.304 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.568 -2.004 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.793 -1.630 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -0.717 -0.581 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.416 0.620 0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -0.712 1.780 4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.411 2.984 0.816 1.00 0.00 H new ATOM 0 HZ PHE A 440 -1.559 3.562 3.072 1.00 0.00 H new ATOM 381 N ALA A 441 -4.508 -2.205 0.773 1.00 0.00 N ATOM 382 CA ALA A 441 -5.878 -1.746 0.395 1.00 0.00 C ATOM 383 C ALA A 441 -6.885 -2.230 1.443 1.00 0.00 C ATOM 384 O ALA A 441 -7.717 -1.483 1.922 1.00 0.00 O ATOM 385 CB ALA A 441 -6.246 -2.342 -0.964 1.00 0.00 C ATOM 0 H ALA A 441 -4.037 -2.782 0.076 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.899 -0.657 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.245 -2.012 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.528 -2.010 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -6.228 -3.430 -0.901 1.00 0.00 H new ATOM 391 N TYR A 442 -6.809 -3.478 1.802 1.00 0.00 N ATOM 392 CA TYR A 442 -7.746 -4.032 2.824 1.00 0.00 C ATOM 393 C TYR A 442 -7.476 -3.370 4.179 1.00 0.00 C ATOM 394 O TYR A 442 -8.372 -3.145 4.968 1.00 0.00 O ATOM 395 CB TYR A 442 -7.527 -5.546 2.936 1.00 0.00 C ATOM 396 CG TYR A 442 -8.269 -6.254 1.823 1.00 0.00 C ATOM 397 CD1 TYR A 442 -7.952 -5.980 0.487 1.00 0.00 C ATOM 398 CD2 TYR A 442 -9.277 -7.181 2.126 1.00 0.00 C ATOM 399 CE1 TYR A 442 -8.642 -6.627 -0.544 1.00 0.00 C ATOM 400 CE2 TYR A 442 -9.964 -7.830 1.095 1.00 0.00 C ATOM 401 CZ TYR A 442 -9.648 -7.553 -0.240 1.00 0.00 C ATOM 402 OH TYR A 442 -10.330 -8.189 -1.255 1.00 0.00 O ATOM 0 H TYR A 442 -6.134 -4.146 1.430 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.776 -3.832 2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.463 -5.774 2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.878 -5.903 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -7.174 -5.269 0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -9.523 -7.394 3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -8.399 -6.412 -1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -10.739 -8.545 1.329 1.00 0.00 H new ATOM 0 HH TYR A 442 -10.993 -8.800 -0.871 1.00 0.00 H new ATOM 412 N SER A 443 -6.241 -3.066 4.455 1.00 0.00 N ATOM 413 CA SER A 443 -5.905 -2.426 5.759 1.00 0.00 C ATOM 414 C SER A 443 -6.665 -1.101 5.892 1.00 0.00 C ATOM 415 O SER A 443 -7.170 -0.761 6.945 1.00 0.00 O ATOM 416 CB SER A 443 -4.402 -2.152 5.811 1.00 0.00 C ATOM 417 OG SER A 443 -3.695 -3.364 5.598 1.00 0.00 O ATOM 0 H SER A 443 -5.448 -3.232 3.835 1.00 0.00 H new ATOM 0 HA SER A 443 -6.189 -3.091 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.128 -1.420 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.132 -1.725 6.777 1.00 0.00 H new ATOM 0 HG SER A 443 -3.629 -3.539 4.636 1.00 0.00 H new ATOM 423 N LEU A 444 -6.740 -0.349 4.831 1.00 0.00 N ATOM 424 CA LEU A 444 -7.455 0.959 4.889 1.00 0.00 C ATOM 425 C LEU A 444 -8.963 0.734 5.046 1.00 0.00 C ATOM 426 O LEU A 444 -9.492 0.757 6.139 1.00 0.00 O ATOM 427 CB LEU A 444 -7.197 1.731 3.593 1.00 0.00 C ATOM 428 CG LEU A 444 -5.695 1.970 3.417 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.447 2.657 2.068 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.164 2.856 4.559 1.00 0.00 C ATOM 0 H LEU A 444 -6.337 -0.582 3.924 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.088 1.526 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.587 1.171 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -7.725 2.684 3.616 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.172 1.014 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.379 2.829 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -5.812 2.020 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -5.974 3.611 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.095 3.020 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -5.683 3.815 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.338 2.361 5.514 1.00 0.00 H new ATOM 442 N HIS A 445 -9.659 0.529 3.956 1.00 0.00 N ATOM 443 CA HIS A 445 -11.138 0.317 4.024 1.00 0.00 C ATOM 444 C HIS A 445 -11.470 -1.126 3.635 1.00 0.00 C ATOM 445 O HIS A 445 -10.683 -2.029 3.839 1.00 0.00 O ATOM 446 CB HIS A 445 -11.828 1.275 3.053 1.00 0.00 C ATOM 447 CG HIS A 445 -11.256 2.658 3.213 1.00 0.00 C ATOM 448 ND1 HIS A 445 -9.961 2.974 2.827 1.00 0.00 N ATOM 449 CD2 HIS A 445 -11.789 3.820 3.715 1.00 0.00 C ATOM 450 CE1 HIS A 445 -9.762 4.278 3.099 1.00 0.00 C ATOM 451 NE2 HIS A 445 -10.844 4.841 3.642 1.00 0.00 N ATOM 0 H HIS A 445 -9.264 0.499 3.016 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.486 0.506 5.039 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.691 0.931 2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -12.901 1.291 3.243 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -12.790 3.926 4.107 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -8.840 4.804 2.902 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -10.955 5.810 3.939 1.00 0.00 H new ATOM 459 N SER A 446 -12.640 -1.346 3.087 1.00 0.00 N ATOM 460 CA SER A 446 -13.055 -2.731 2.682 1.00 0.00 C ATOM 461 C SER A 446 -13.509 -2.736 1.220 1.00 0.00 C ATOM 462 O SER A 446 -12.823 -3.222 0.342 1.00 0.00 O ATOM 463 CB SER A 446 -14.217 -3.177 3.567 1.00 0.00 C ATOM 464 OG SER A 446 -15.375 -2.417 3.239 1.00 0.00 O ATOM 0 H SER A 446 -13.333 -0.621 2.900 1.00 0.00 H new ATOM 0 HA SER A 446 -12.210 -3.410 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 446 -14.412 -4.240 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 446 -13.963 -3.039 4.618 1.00 0.00 H new ATOM 0 HG SER A 446 -15.212 -1.471 3.435 1.00 0.00 H new ATOM 470 N ASP A 447 -14.671 -2.206 0.953 1.00 0.00 N ATOM 471 CA ASP A 447 -15.174 -2.178 -0.451 1.00 0.00 C ATOM 472 C ASP A 447 -14.256 -1.304 -1.309 1.00 0.00 C ATOM 473 O ASP A 447 -13.916 -1.642 -2.426 1.00 0.00 O ATOM 474 CB ASP A 447 -16.589 -1.592 -0.475 1.00 0.00 C ATOM 475 CG ASP A 447 -17.577 -2.599 0.114 1.00 0.00 C ATOM 476 OD1 ASP A 447 -17.203 -3.752 0.257 1.00 0.00 O ATOM 477 OD2 ASP A 447 -18.692 -2.202 0.413 1.00 0.00 O ATOM 0 H ASP A 447 -15.294 -1.791 1.646 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.188 -3.193 -0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -16.618 -0.664 0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -16.873 -1.346 -1.498 1.00 0.00 H new ATOM 482 N LEU A 448 -13.863 -0.175 -0.794 1.00 0.00 N ATOM 483 CA LEU A 448 -12.979 0.734 -1.578 1.00 0.00 C ATOM 484 C LEU A 448 -11.650 0.025 -1.865 1.00 0.00 C ATOM 485 O LEU A 448 -11.143 0.029 -2.970 1.00 0.00 O ATOM 486 CB LEU A 448 -12.719 2.002 -0.745 1.00 0.00 C ATOM 487 CG LEU A 448 -12.458 3.211 -1.662 1.00 0.00 C ATOM 488 CD1 LEU A 448 -11.330 2.880 -2.647 1.00 0.00 C ATOM 489 CD2 LEU A 448 -13.748 3.582 -2.435 1.00 0.00 C ATOM 0 H LEU A 448 -14.115 0.160 0.136 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.454 1.000 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -13.577 2.204 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.862 1.844 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 448 -12.159 4.063 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -11.149 3.738 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -10.421 2.644 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.618 2.022 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -13.552 4.438 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -14.064 2.734 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -14.537 3.835 -1.726 1.00 0.00 H new ATOM 501 N GLY A 449 -11.086 -0.581 -0.863 1.00 0.00 N ATOM 502 CA GLY A 449 -9.791 -1.291 -1.046 1.00 0.00 C ATOM 503 C GLY A 449 -9.986 -2.493 -1.973 1.00 0.00 C ATOM 504 O GLY A 449 -9.161 -2.787 -2.819 1.00 0.00 O ATOM 0 H GLY A 449 -11.468 -0.616 0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -9.050 -0.612 -1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.408 -1.623 -0.081 1.00 0.00 H new ATOM 508 N ASP A 450 -11.074 -3.190 -1.816 1.00 0.00 N ATOM 509 CA ASP A 450 -11.341 -4.380 -2.677 1.00 0.00 C ATOM 510 C ASP A 450 -11.537 -3.939 -4.133 1.00 0.00 C ATOM 511 O ASP A 450 -11.115 -4.601 -5.060 1.00 0.00 O ATOM 512 CB ASP A 450 -12.609 -5.079 -2.185 1.00 0.00 C ATOM 513 CG ASP A 450 -12.881 -6.314 -3.047 1.00 0.00 C ATOM 514 OD1 ASP A 450 -12.177 -6.497 -4.026 1.00 0.00 O ATOM 515 OD2 ASP A 450 -13.789 -7.056 -2.710 1.00 0.00 O ATOM 0 H ASP A 450 -11.796 -2.988 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 450 -10.494 -5.063 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -12.494 -5.370 -1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.456 -4.395 -2.234 1.00 0.00 H new ATOM 520 N HIS A 451 -12.180 -2.825 -4.336 1.00 0.00 N ATOM 521 CA HIS A 451 -12.409 -2.336 -5.726 1.00 0.00 C ATOM 522 C HIS A 451 -11.112 -1.725 -6.265 1.00 0.00 C ATOM 523 O HIS A 451 -11.118 -0.872 -7.132 1.00 0.00 O ATOM 524 CB HIS A 451 -13.520 -1.283 -5.714 1.00 0.00 C ATOM 525 CG HIS A 451 -14.821 -1.940 -5.343 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.291 -3.063 -6.004 1.00 0.00 N ATOM 527 CD2 HIS A 451 -15.768 -1.643 -4.392 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.469 -3.400 -5.448 1.00 0.00 C ATOM 529 NE2 HIS A 451 -16.807 -2.567 -4.461 1.00 0.00 N ATOM 0 H HIS A 451 -12.558 -2.230 -3.599 1.00 0.00 H new ATOM 0 HA HIS A 451 -12.709 -3.164 -6.368 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -13.281 -0.494 -5.001 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.603 -0.813 -6.694 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -15.714 -0.818 -3.697 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.068 -4.242 -5.762 1.00 0.00 H new ATOM 0 HE2 HIS A 451 -17.646 -2.600 -3.882 1.00 0.00 H new ATOM 537 N CYS A 452 -9.997 -2.166 -5.755 1.00 0.00 N ATOM 538 CA CYS A 452 -8.694 -1.623 -6.224 1.00 0.00 C ATOM 539 C CYS A 452 -8.308 -2.284 -7.548 1.00 0.00 C ATOM 540 O CYS A 452 -8.162 -3.488 -7.641 1.00 0.00 O ATOM 541 CB CYS A 452 -7.617 -1.905 -5.172 1.00 0.00 C ATOM 542 SG CYS A 452 -7.563 -3.680 -4.823 1.00 0.00 S ATOM 0 H CYS A 452 -9.932 -2.882 -5.031 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.781 -0.547 -6.374 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -6.646 -1.564 -5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -7.832 -1.350 -4.259 1.00 0.00 H new ATOM 0 HG CYS A 452 -8.261 -3.934 -3.756 1.00 0.00 H new ATOM 548 N ILE A 453 -8.133 -1.494 -8.571 1.00 0.00 N ATOM 549 CA ILE A 453 -7.744 -2.037 -9.904 1.00 0.00 C ATOM 550 C ILE A 453 -6.246 -1.812 -10.110 1.00 0.00 C ATOM 551 O ILE A 453 -5.670 -2.221 -11.100 1.00 0.00 O ATOM 552 CB ILE A 453 -8.546 -1.306 -10.993 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.303 0.208 -10.895 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.036 -1.593 -10.805 1.00 0.00 C ATOM 555 CD1 ILE A 453 -9.001 0.916 -12.061 1.00 0.00 C ATOM 0 H ILE A 453 -8.245 -0.481 -8.540 1.00 0.00 H new ATOM 0 HA ILE A 453 -7.957 -3.104 -9.959 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.223 -1.659 -11.973 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -8.683 0.587 -9.946 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.233 0.417 -10.917 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.606 -1.075 -11.576 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.212 -2.666 -10.882 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.353 -1.243 -9.823 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -8.828 1.990 -11.991 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -8.600 0.545 -13.004 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -10.072 0.717 -12.019 1.00 0.00 H new ATOM 567 N GLY A 454 -5.607 -1.162 -9.178 1.00 0.00 N ATOM 568 CA GLY A 454 -4.145 -0.908 -9.322 1.00 0.00 C ATOM 569 C GLY A 454 -3.603 -0.210 -8.072 1.00 0.00 C ATOM 570 O GLY A 454 -4.325 0.072 -7.136 1.00 0.00 O ATOM 0 H GLY A 454 -6.031 -0.796 -8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.619 -1.850 -9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -3.961 -0.290 -10.201 1.00 0.00 H new ATOM 574 N ALA A 455 -2.327 0.067 -8.054 1.00 0.00 N ATOM 575 CA ALA A 455 -1.719 0.744 -6.871 1.00 0.00 C ATOM 576 C ALA A 455 -0.502 1.550 -7.319 1.00 0.00 C ATOM 577 O ALA A 455 0.138 1.234 -8.304 1.00 0.00 O ATOM 578 CB ALA A 455 -1.279 -0.299 -5.845 1.00 0.00 C ATOM 0 H ALA A 455 -1.677 -0.147 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.457 1.407 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.836 0.202 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -2.143 -0.879 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.543 -0.965 -6.296 1.00 0.00 H new ATOM 584 N LYS A 456 -0.182 2.593 -6.600 1.00 0.00 N ATOM 585 CA LYS A 456 0.989 3.445 -6.966 1.00 0.00 C ATOM 586 C LYS A 456 1.864 3.674 -5.737 1.00 0.00 C ATOM 587 O LYS A 456 1.385 4.033 -4.678 1.00 0.00 O ATOM 588 CB LYS A 456 0.483 4.789 -7.484 1.00 0.00 C ATOM 589 CG LYS A 456 1.612 5.512 -8.224 1.00 0.00 C ATOM 590 CD LYS A 456 1.090 6.816 -8.840 1.00 0.00 C ATOM 591 CE LYS A 456 0.281 6.518 -10.111 1.00 0.00 C ATOM 592 NZ LYS A 456 0.065 7.782 -10.864 1.00 0.00 N ATOM 0 H LYS A 456 -0.687 2.895 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 456 1.577 2.946 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.365 4.637 -8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 456 0.129 5.400 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 456 2.429 5.728 -7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 456 2.016 4.868 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 456 0.466 7.343 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 456 1.926 7.474 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 456 0.812 5.797 -10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 456 -0.677 6.069 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 -0.483 7.584 -11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 -0.458 8.456 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.984 8.192 -11.125 1.00 0.00 H new ATOM 606 N VAL A 457 3.147 3.469 -5.880 1.00 0.00 N ATOM 607 CA VAL A 457 4.090 3.667 -4.736 1.00 0.00 C ATOM 608 C VAL A 457 5.136 4.719 -5.112 1.00 0.00 C ATOM 609 O VAL A 457 5.723 4.678 -6.177 1.00 0.00 O ATOM 610 CB VAL A 457 4.786 2.342 -4.415 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.932 2.587 -3.428 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.773 1.380 -3.790 1.00 0.00 C ATOM 0 H VAL A 457 3.588 3.170 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 457 3.535 4.006 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 457 5.187 1.910 -5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.425 1.642 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.652 3.275 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.535 3.018 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 457 4.264 0.434 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 457 3.375 1.816 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.958 1.204 -4.492 1.00 0.00 H new ATOM 622 N ASN A 458 5.363 5.657 -4.234 1.00 0.00 N ATOM 623 CA ASN A 458 6.367 6.727 -4.506 1.00 0.00 C ATOM 624 C ASN A 458 6.010 7.444 -5.813 1.00 0.00 C ATOM 625 O ASN A 458 6.867 7.780 -6.609 1.00 0.00 O ATOM 626 CB ASN A 458 7.773 6.122 -4.585 1.00 0.00 C ATOM 627 CG ASN A 458 8.205 5.668 -3.188 1.00 0.00 C ATOM 628 OD1 ASN A 458 7.643 6.090 -2.195 1.00 0.00 O ATOM 629 ND2 ASN A 458 9.189 4.819 -3.067 1.00 0.00 N ATOM 0 H ASN A 458 4.892 5.729 -3.332 1.00 0.00 H new ATOM 0 HA ASN A 458 6.354 7.453 -3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.780 5.277 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 458 8.477 6.857 -4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 458 9.485 4.511 -2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 458 9.661 4.464 -3.898 1.00 0.00 H new ATOM 636 N HIS A 459 4.737 7.663 -6.027 1.00 0.00 N ATOM 637 CA HIS A 459 4.267 8.350 -7.268 1.00 0.00 C ATOM 638 C HIS A 459 4.716 7.558 -8.497 1.00 0.00 C ATOM 639 O HIS A 459 4.652 8.031 -9.614 1.00 0.00 O ATOM 640 CB HIS A 459 4.822 9.782 -7.330 1.00 0.00 C ATOM 641 CG HIS A 459 4.164 10.617 -6.267 1.00 0.00 C ATOM 642 ND1 HIS A 459 4.645 10.677 -4.968 1.00 0.00 N ATOM 643 CD2 HIS A 459 3.058 11.433 -6.295 1.00 0.00 C ATOM 644 CE1 HIS A 459 3.838 11.503 -4.274 1.00 0.00 C ATOM 645 NE2 HIS A 459 2.856 11.991 -5.036 1.00 0.00 N ATOM 0 H HIS A 459 3.993 7.391 -5.385 1.00 0.00 H new ATOM 0 HA HIS A 459 3.178 8.402 -7.253 1.00 0.00 H new ATOM 0 HB2 HIS A 459 5.902 9.772 -7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 459 4.637 10.214 -8.314 1.00 0.00 H new ATOM 0 HD2 HIS A 459 2.440 11.614 -7.162 1.00 0.00 H new ATOM 0 HE1 HIS A 459 3.969 11.741 -3.229 1.00 0.00 H new ATOM 0 HE2 HIS A 459 2.116 12.635 -4.755 1.00 0.00 H new ATOM 653 N LYS A 460 5.164 6.346 -8.291 1.00 0.00 N ATOM 654 CA LYS A 460 5.620 5.492 -9.431 1.00 0.00 C ATOM 655 C LYS A 460 4.639 4.338 -9.632 1.00 0.00 C ATOM 656 O LYS A 460 4.181 3.716 -8.693 1.00 0.00 O ATOM 657 CB LYS A 460 7.010 4.941 -9.127 1.00 0.00 C ATOM 658 CG LYS A 460 7.505 4.112 -10.316 1.00 0.00 C ATOM 659 CD LYS A 460 8.924 3.618 -10.035 1.00 0.00 C ATOM 660 CE LYS A 460 9.424 2.802 -11.228 1.00 0.00 C ATOM 661 NZ LYS A 460 9.494 3.672 -12.434 1.00 0.00 N ATOM 0 H LYS A 460 5.234 5.907 -7.373 1.00 0.00 H new ATOM 0 HA LYS A 460 5.659 6.090 -10.341 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.701 5.760 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 460 6.980 4.325 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 460 6.840 3.265 -10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.491 4.714 -11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.587 4.465 -9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 460 8.936 3.007 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 460 10.407 2.386 -11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 460 8.755 1.961 -11.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 10.131 3.243 -13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 8.544 3.773 -12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 9.856 4.609 -12.165 1.00 0.00 H new ATOM 675 N LEU A 461 4.311 4.060 -10.861 1.00 0.00 N ATOM 676 CA LEU A 461 3.350 2.964 -11.154 1.00 0.00 C ATOM 677 C LEU A 461 3.949 1.612 -10.772 1.00 0.00 C ATOM 678 O LEU A 461 5.065 1.283 -11.129 1.00 0.00 O ATOM 679 CB LEU A 461 3.015 2.976 -12.652 1.00 0.00 C ATOM 680 CG LEU A 461 2.113 1.781 -13.007 1.00 0.00 C ATOM 681 CD1 LEU A 461 0.857 1.791 -12.124 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.706 1.876 -14.483 1.00 0.00 C ATOM 0 H LEU A 461 4.670 4.549 -11.681 1.00 0.00 H new ATOM 0 HA LEU A 461 2.443 3.119 -10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.514 3.908 -12.912 1.00 0.00 H new ATOM 0 HB3 LEU A 461 3.933 2.934 -13.237 1.00 0.00 H new ATOM 0 HG LEU A 461 2.659 0.853 -12.835 1.00 0.00 H new ATOM 0 HD11 LEU A 461 0.224 0.942 -12.382 1.00 0.00 H new ATOM 0 HD12 LEU A 461 1.148 1.721 -11.076 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.305 2.717 -12.286 1.00 0.00 H new ATOM 0 HD21 LEU A 461 1.067 1.031 -14.739 1.00 0.00 H new ATOM 0 HD22 LEU A 461 1.163 2.806 -14.652 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.599 1.858 -15.108 1.00 0.00 H new ATOM 694 N VAL A 462 3.196 0.817 -10.061 1.00 0.00 N ATOM 695 CA VAL A 462 3.691 -0.532 -9.662 1.00 0.00 C ATOM 696 C VAL A 462 2.505 -1.506 -9.617 1.00 0.00 C ATOM 697 O VAL A 462 1.392 -1.112 -9.339 1.00 0.00 O ATOM 698 CB VAL A 462 4.343 -0.458 -8.279 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.695 0.239 -8.398 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.443 0.327 -7.319 1.00 0.00 C ATOM 0 H VAL A 462 2.256 1.045 -9.738 1.00 0.00 H new ATOM 0 HA VAL A 462 4.429 -0.878 -10.386 1.00 0.00 H new ATOM 0 HB VAL A 462 4.482 -1.467 -7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.164 0.294 -7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.337 -0.325 -9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.552 1.246 -8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 462 3.913 0.375 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.297 1.337 -7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.478 -0.172 -7.235 1.00 0.00 H new ATOM 710 N PRO A 463 2.738 -2.770 -9.884 1.00 0.00 N ATOM 711 CA PRO A 463 1.662 -3.803 -9.865 1.00 0.00 C ATOM 712 C PRO A 463 1.102 -4.040 -8.454 1.00 0.00 C ATOM 713 O PRO A 463 1.730 -3.743 -7.456 1.00 0.00 O ATOM 714 CB PRO A 463 2.349 -5.070 -10.418 1.00 0.00 C ATOM 715 CG PRO A 463 3.812 -4.860 -10.180 1.00 0.00 C ATOM 716 CD PRO A 463 4.042 -3.349 -10.241 1.00 0.00 C ATOM 0 HA PRO A 463 0.798 -3.498 -10.455 1.00 0.00 H new ATOM 0 HB2 PRO A 463 1.992 -5.965 -9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.138 -5.201 -11.479 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.110 -5.260 -9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.407 -5.375 -10.934 1.00 0.00 H new ATOM 0 HD2 PRO A 463 4.820 -3.036 -9.545 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.359 -3.034 -11.235 1.00 0.00 H new ATOM 724 N LEU A 464 -0.083 -4.570 -8.379 1.00 0.00 N ATOM 725 CA LEU A 464 -0.715 -4.839 -7.057 1.00 0.00 C ATOM 726 C LEU A 464 0.126 -5.856 -6.278 1.00 0.00 C ATOM 727 O LEU A 464 0.283 -5.767 -5.076 1.00 0.00 O ATOM 728 CB LEU A 464 -2.122 -5.404 -7.286 1.00 0.00 C ATOM 729 CG LEU A 464 -3.105 -4.258 -7.602 1.00 0.00 C ATOM 730 CD1 LEU A 464 -4.267 -4.785 -8.445 1.00 0.00 C ATOM 731 CD2 LEU A 464 -3.664 -3.672 -6.298 1.00 0.00 C ATOM 0 H LEU A 464 -0.649 -4.832 -9.186 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.775 -3.914 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -2.107 -6.118 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.454 -5.945 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 464 -2.571 -3.484 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -4.957 -3.970 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -3.882 -5.196 -9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -4.791 -5.566 -7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -4.357 -2.863 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.188 -4.451 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -2.845 -3.285 -5.692 1.00 0.00 H new ATOM 743 N SER A 465 0.658 -6.828 -6.956 1.00 0.00 N ATOM 744 CA SER A 465 1.480 -7.861 -6.265 1.00 0.00 C ATOM 745 C SER A 465 2.852 -7.271 -5.916 1.00 0.00 C ATOM 746 O SER A 465 3.753 -7.964 -5.484 1.00 0.00 O ATOM 747 CB SER A 465 1.658 -9.059 -7.200 1.00 0.00 C ATOM 748 OG SER A 465 0.389 -9.642 -7.462 1.00 0.00 O ATOM 0 H SER A 465 0.560 -6.955 -7.963 1.00 0.00 H new ATOM 0 HA SER A 465 0.983 -8.180 -5.349 1.00 0.00 H new ATOM 0 HB2 SER A 465 2.125 -8.741 -8.132 1.00 0.00 H new ATOM 0 HB3 SER A 465 2.322 -9.794 -6.746 1.00 0.00 H new ATOM 0 HG SER A 465 0.499 -10.409 -8.062 1.00 0.00 H new ATOM 754 N TYR A 466 3.014 -5.989 -6.105 1.00 0.00 N ATOM 755 CA TYR A 466 4.322 -5.338 -5.797 1.00 0.00 C ATOM 756 C TYR A 466 4.602 -5.383 -4.290 1.00 0.00 C ATOM 757 O TYR A 466 3.734 -5.144 -3.473 1.00 0.00 O ATOM 758 CB TYR A 466 4.291 -3.885 -6.268 1.00 0.00 C ATOM 759 CG TYR A 466 5.590 -3.206 -5.900 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.741 -3.446 -6.658 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.641 -2.338 -4.803 1.00 0.00 C ATOM 762 CE1 TYR A 466 7.946 -2.818 -6.319 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.845 -1.711 -4.463 1.00 0.00 C ATOM 764 CZ TYR A 466 7.998 -1.950 -5.222 1.00 0.00 C ATOM 765 OH TYR A 466 9.185 -1.332 -4.887 1.00 0.00 O ATOM 0 H TYR A 466 2.294 -5.361 -6.461 1.00 0.00 H new ATOM 0 HA TYR A 466 5.114 -5.877 -6.317 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.141 -3.845 -7.347 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.452 -3.361 -5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.700 -4.115 -7.504 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.752 -2.152 -4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.835 -3.003 -6.904 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.885 -1.043 -3.615 1.00 0.00 H new ATOM 0 HH TYR A 466 9.047 -0.762 -4.102 1.00 0.00 H new ATOM 775 N VAL A 467 5.820 -5.686 -3.927 1.00 0.00 N ATOM 776 CA VAL A 467 6.184 -5.756 -2.484 1.00 0.00 C ATOM 777 C VAL A 467 6.326 -4.342 -1.908 1.00 0.00 C ATOM 778 O VAL A 467 6.986 -3.488 -2.469 1.00 0.00 O ATOM 779 CB VAL A 467 7.504 -6.510 -2.336 1.00 0.00 C ATOM 780 CG1 VAL A 467 7.957 -6.475 -0.876 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.306 -7.963 -2.774 1.00 0.00 C ATOM 0 H VAL A 467 6.582 -5.889 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 467 5.399 -6.280 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 467 8.264 -6.038 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 467 8.899 -7.014 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 467 8.095 -5.440 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.200 -6.946 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.246 -8.506 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.546 -8.431 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 467 6.985 -7.989 -3.815 1.00 0.00 H new ATOM 791 N LEU A 468 5.698 -4.100 -0.792 1.00 0.00 N ATOM 792 CA LEU A 468 5.767 -2.751 -0.161 1.00 0.00 C ATOM 793 C LEU A 468 7.090 -2.572 0.584 1.00 0.00 C ATOM 794 O LEU A 468 7.603 -3.488 1.200 1.00 0.00 O ATOM 795 CB LEU A 468 4.608 -2.605 0.825 1.00 0.00 C ATOM 796 CG LEU A 468 3.279 -2.839 0.095 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.126 -2.735 1.100 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.096 -1.789 -1.014 1.00 0.00 C ATOM 0 H LEU A 468 5.135 -4.784 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 468 5.700 -1.991 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.718 -3.321 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.620 -1.610 1.271 1.00 0.00 H new ATOM 0 HG LEU A 468 3.284 -3.831 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.179 -2.901 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.253 -3.488 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.125 -1.743 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.150 -1.963 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.092 -0.792 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.916 -1.867 -1.728 1.00 0.00 H new ATOM 810 N ASN A 469 7.633 -1.382 0.535 1.00 0.00 N ATOM 811 CA ASN A 469 8.923 -1.093 1.236 1.00 0.00 C ATOM 812 C ASN A 469 8.689 -0.051 2.332 1.00 0.00 C ATOM 813 O ASN A 469 7.838 0.811 2.220 1.00 0.00 O ATOM 814 CB ASN A 469 9.934 -0.548 0.231 1.00 0.00 C ATOM 815 CG ASN A 469 10.396 -1.679 -0.688 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.234 -2.842 -0.367 1.00 0.00 O ATOM 817 ND2 ASN A 469 10.969 -1.388 -1.821 1.00 0.00 N ATOM 0 H ASN A 469 7.233 -0.589 0.034 1.00 0.00 H new ATOM 0 HA ASN A 469 9.306 -2.011 1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.484 0.252 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.788 -0.118 0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 469 11.283 -2.135 -2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 469 11.104 -0.413 -2.089 1.00 0.00 H new ATOM 824 N SER A 470 9.438 -0.140 3.393 1.00 0.00 N ATOM 825 CA SER A 470 9.273 0.823 4.517 1.00 0.00 C ATOM 826 C SER A 470 9.853 2.195 4.153 1.00 0.00 C ATOM 827 O SER A 470 10.895 2.307 3.533 1.00 0.00 O ATOM 828 CB SER A 470 10.001 0.279 5.744 1.00 0.00 C ATOM 829 OG SER A 470 9.224 -0.754 6.326 1.00 0.00 O ATOM 0 H SER A 470 10.163 -0.844 3.532 1.00 0.00 H new ATOM 0 HA SER A 470 8.210 0.942 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 470 10.982 -0.103 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 470 10.167 1.077 6.467 1.00 0.00 H new ATOM 0 HG SER A 470 9.781 -1.275 6.941 1.00 0.00 H new ATOM 835 N GLY A 471 9.177 3.239 4.555 1.00 0.00 N ATOM 836 CA GLY A 471 9.657 4.624 4.266 1.00 0.00 C ATOM 837 C GLY A 471 8.945 5.166 3.023 1.00 0.00 C ATOM 838 O GLY A 471 8.848 6.362 2.817 1.00 0.00 O ATOM 0 H GLY A 471 8.302 3.191 5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.463 5.273 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.735 4.620 4.107 1.00 0.00 H new ATOM 842 N ASP A 472 8.458 4.293 2.186 1.00 0.00 N ATOM 843 CA ASP A 472 7.767 4.744 0.941 1.00 0.00 C ATOM 844 C ASP A 472 6.295 5.065 1.213 1.00 0.00 C ATOM 845 O ASP A 472 5.770 4.804 2.278 1.00 0.00 O ATOM 846 CB ASP A 472 7.857 3.639 -0.114 1.00 0.00 C ATOM 847 CG ASP A 472 6.980 2.445 0.283 1.00 0.00 C ATOM 848 OD1 ASP A 472 6.407 2.479 1.361 1.00 0.00 O ATOM 849 OD2 ASP A 472 6.892 1.516 -0.503 1.00 0.00 O ATOM 0 H ASP A 472 8.508 3.282 2.309 1.00 0.00 H new ATOM 0 HA ASP A 472 8.256 5.650 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.539 4.026 -1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 472 8.892 3.317 -0.224 1.00 0.00 H new ATOM 854 N GLN A 473 5.630 5.627 0.236 1.00 0.00 N ATOM 855 CA GLN A 473 4.185 5.970 0.390 1.00 0.00 C ATOM 856 C GLN A 473 3.357 5.054 -0.509 1.00 0.00 C ATOM 857 O GLN A 473 3.627 4.908 -1.687 1.00 0.00 O ATOM 858 CB GLN A 473 3.965 7.424 -0.018 1.00 0.00 C ATOM 859 CG GLN A 473 2.508 7.807 0.246 1.00 0.00 C ATOM 860 CD GLN A 473 2.277 9.264 -0.152 1.00 0.00 C ATOM 861 OE1 GLN A 473 2.724 9.700 -1.196 1.00 0.00 O ATOM 862 NE2 GLN A 473 1.592 10.039 0.641 1.00 0.00 N ATOM 0 H GLN A 473 6.031 5.865 -0.671 1.00 0.00 H new ATOM 0 HA GLN A 473 3.880 5.837 1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.632 8.077 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.203 7.558 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.843 7.156 -0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.270 7.666 1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 473 1.218 9.671 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 473 1.430 11.013 0.387 1.00 0.00 H new ATOM 871 N VAL A 474 2.354 4.431 0.044 1.00 0.00 N ATOM 872 CA VAL A 474 1.496 3.504 -0.755 1.00 0.00 C ATOM 873 C VAL A 474 0.164 4.181 -1.076 1.00 0.00 C ATOM 874 O VAL A 474 -0.490 4.738 -0.215 1.00 0.00 O ATOM 875 CB VAL A 474 1.234 2.238 0.057 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.383 1.270 -0.768 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.569 1.576 0.402 1.00 0.00 C ATOM 0 H VAL A 474 2.088 4.524 1.024 1.00 0.00 H new ATOM 0 HA VAL A 474 2.005 3.250 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 474 0.704 2.494 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.196 0.366 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.566 1.743 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 474 0.913 1.010 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.387 0.671 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 474 3.096 1.318 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.177 2.266 0.987 1.00 0.00 H new ATOM 887 N GLU A 475 -0.238 4.128 -2.316 1.00 0.00 N ATOM 888 CA GLU A 475 -1.529 4.752 -2.732 1.00 0.00 C ATOM 889 C GLU A 475 -2.330 3.733 -3.542 1.00 0.00 C ATOM 890 O GLU A 475 -1.792 3.013 -4.361 1.00 0.00 O ATOM 891 CB GLU A 475 -1.249 5.989 -3.587 1.00 0.00 C ATOM 892 CG GLU A 475 -2.575 6.651 -3.972 1.00 0.00 C ATOM 893 CD GLU A 475 -2.301 7.917 -4.783 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.503 7.847 -5.702 1.00 0.00 O ATOM 895 OE2 GLU A 475 -2.897 8.934 -4.472 1.00 0.00 O ATOM 0 H GLU A 475 0.279 3.674 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.098 5.052 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.625 6.692 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.696 5.708 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.183 5.959 -4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.144 6.898 -3.075 1.00 0.00 H new ATOM 902 N VAL A 476 -3.614 3.662 -3.303 1.00 0.00 N ATOM 903 CA VAL A 476 -4.480 2.684 -4.033 1.00 0.00 C ATOM 904 C VAL A 476 -5.394 3.417 -5.013 1.00 0.00 C ATOM 905 O VAL A 476 -6.059 4.376 -4.672 1.00 0.00 O ATOM 906 CB VAL A 476 -5.329 1.906 -3.025 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.415 1.003 -2.198 1.00 0.00 C ATOM 908 CG2 VAL A 476 -6.062 2.877 -2.093 1.00 0.00 C ATOM 0 H VAL A 476 -4.106 4.246 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.846 1.994 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 476 -6.065 1.305 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.011 0.444 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -3.898 0.307 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.683 1.613 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.663 2.313 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.334 3.484 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.711 3.526 -2.681 1.00 0.00 H new ATOM 918 N LEU A 477 -5.426 2.959 -6.235 1.00 0.00 N ATOM 919 CA LEU A 477 -6.286 3.602 -7.271 1.00 0.00 C ATOM 920 C LEU A 477 -7.602 2.838 -7.383 1.00 0.00 C ATOM 921 O LEU A 477 -7.641 1.625 -7.301 1.00 0.00 O ATOM 922 CB LEU A 477 -5.568 3.568 -8.622 1.00 0.00 C ATOM 923 CG LEU A 477 -4.213 4.277 -8.507 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.489 4.201 -9.855 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.424 5.749 -8.116 1.00 0.00 C ATOM 0 H LEU A 477 -4.887 2.158 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.484 4.636 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.423 2.536 -8.941 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -6.180 4.054 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.612 3.789 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.525 4.704 -9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.333 3.157 -10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -4.093 4.688 -10.620 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.457 6.246 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -5.026 6.245 -8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.939 5.800 -7.157 1.00 0.00 H new ATOM 937 N SER A 478 -8.683 3.545 -7.564 1.00 0.00 N ATOM 938 CA SER A 478 -10.014 2.880 -7.679 1.00 0.00 C ATOM 939 C SER A 478 -10.817 3.526 -8.809 1.00 0.00 C ATOM 940 O SER A 478 -10.573 4.651 -9.202 1.00 0.00 O ATOM 941 CB SER A 478 -10.771 3.039 -6.359 1.00 0.00 C ATOM 942 OG SER A 478 -10.795 4.414 -5.998 1.00 0.00 O ATOM 0 H SER A 478 -8.703 4.562 -7.638 1.00 0.00 H new ATOM 0 HA SER A 478 -9.875 1.821 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 478 -11.788 2.659 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 478 -10.289 2.453 -5.576 1.00 0.00 H new ATOM 0 HG SER A 478 -11.521 4.572 -5.359 1.00 0.00 H new