USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 ASN : amide:sc= -0.544 K(o=-4,f=-3.5) USER MOD Set 1.2: A 35 ASN : amide:sc= -3.46! C(o=-4!,f=-4.9!) USER MOD Single : A 1 ALA N :NH3+ -132:sc= 0.301 (180deg=-4.25!) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 3 MET CE :methyl 154:sc= 0 (180deg=-0.746) USER MOD Single : A 6 THR OG1 : rot -133:sc= -0.0662 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= 0.00161 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -18.7! C(o=-19!,f=-16!) USER MOD Single : A 36 MET CE :methyl -179:sc= -2.17! (180deg=-2.18!) USER MOD Single : A 43 HIS : no HD1:sc= -11! C(o=-11!,f=-14!) USER MOD Single : A 49 TYR OH : rot 96:sc= -2.13! USER MOD Single : A 50 SER OG : rot 58:sc= 0.0417 USER MOD Single : A 51 ASN : amide:sc= -3.64! C(o=-3.6!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.467 -1.268 -4.745 1.00 0.00 N ATOM 2 CA ALA A 1 5.594 -1.008 -3.815 1.00 0.00 C ATOM 3 C ALA A 1 6.813 -1.826 -4.196 1.00 0.00 C ATOM 4 O ALA A 1 6.815 -2.526 -5.208 1.00 0.00 O ATOM 5 CB ALA A 1 5.179 -1.316 -2.386 1.00 0.00 C ATOM 0 H1 ALA A 1 4.059 -0.364 -5.058 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.814 -1.796 -5.571 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.737 -1.827 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 1 5.857 0.047 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.015 -1.121 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.335 -0.684 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.889 -2.364 -2.309 1.00 0.00 H new ATOM 13 N HIS A 2 7.850 -1.741 -3.375 1.00 0.00 N ATOM 14 CA HIS A 2 9.074 -2.486 -3.627 1.00 0.00 C ATOM 15 C HIS A 2 9.073 -3.789 -2.860 1.00 0.00 C ATOM 16 O HIS A 2 10.114 -4.298 -2.445 1.00 0.00 O ATOM 17 CB HIS A 2 10.312 -1.655 -3.285 1.00 0.00 C ATOM 18 CG HIS A 2 11.278 -1.527 -4.421 1.00 0.00 C ATOM 19 ND1 HIS A 2 10.937 -0.987 -5.643 1.00 0.00 N ATOM 20 CD2 HIS A 2 12.584 -1.875 -4.517 1.00 0.00 C ATOM 21 CE1 HIS A 2 11.990 -1.007 -6.441 1.00 0.00 C ATOM 22 NE2 HIS A 2 13.001 -1.541 -5.782 1.00 0.00 N ATOM 0 H HIS A 2 7.868 -1.166 -2.533 1.00 0.00 H new ATOM 0 HA HIS A 2 9.113 -2.714 -4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 2 9.997 -0.659 -2.973 1.00 0.00 H new ATOM 0 HB3 HIS A 2 10.821 -2.109 -2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 2 13.185 -2.330 -3.743 1.00 0.00 H new ATOM 0 HE1 HIS A 2 12.018 -0.648 -7.459 1.00 0.00 H new ATOM 0 HE2 HIS A 2 13.941 -1.683 -6.153 1.00 0.00 H new ATOM 31 N MET A 3 7.881 -4.320 -2.704 1.00 0.00 N ATOM 32 CA MET A 3 7.676 -5.589 -2.004 1.00 0.00 C ATOM 33 C MET A 3 6.323 -6.217 -2.382 1.00 0.00 C ATOM 34 O MET A 3 6.145 -6.675 -3.510 1.00 0.00 O ATOM 35 CB MET A 3 7.789 -5.388 -0.485 1.00 0.00 C ATOM 36 CG MET A 3 9.210 -5.487 0.049 1.00 0.00 C ATOM 37 SD MET A 3 9.984 -7.074 -0.320 1.00 0.00 S ATOM 38 CE MET A 3 11.625 -6.548 -0.805 1.00 0.00 C ATOM 0 H MET A 3 7.023 -3.894 -3.054 1.00 0.00 H new ATOM 0 HA MET A 3 8.458 -6.282 -2.315 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.382 -4.410 -0.227 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.171 -6.133 0.017 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.812 -4.686 -0.380 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.200 -5.335 1.128 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.335 -7.354 -0.620 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.628 -6.298 -1.866 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.912 -5.671 -0.225 1.00 0.00 H new ATOM 48 N ASP A 4 5.372 -6.238 -1.443 1.00 0.00 N ATOM 49 CA ASP A 4 4.052 -6.810 -1.691 1.00 0.00 C ATOM 50 C ASP A 4 3.197 -5.857 -2.520 1.00 0.00 C ATOM 51 O ASP A 4 3.315 -4.639 -2.391 1.00 0.00 O ATOM 52 CB ASP A 4 3.351 -7.116 -0.364 1.00 0.00 C ATOM 53 CG ASP A 4 2.215 -8.107 -0.524 1.00 0.00 C ATOM 54 OD1 ASP A 4 2.498 -9.304 -0.744 1.00 0.00 O ATOM 55 OD2 ASP A 4 1.043 -7.687 -0.430 1.00 0.00 O ATOM 0 H ASP A 4 5.496 -5.863 -0.502 1.00 0.00 H new ATOM 0 HA ASP A 4 4.181 -7.737 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.078 -7.513 0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.964 -6.190 0.061 1.00 0.00 H new ATOM 60 N CYS A 5 2.341 -6.409 -3.375 1.00 0.00 N ATOM 61 CA CYS A 5 1.484 -5.580 -4.214 1.00 0.00 C ATOM 62 C CYS A 5 0.283 -6.353 -4.749 1.00 0.00 C ATOM 63 O CYS A 5 0.422 -7.478 -5.228 1.00 0.00 O ATOM 64 CB CYS A 5 2.294 -5.005 -5.378 1.00 0.00 C ATOM 65 SG CYS A 5 1.827 -3.312 -5.858 1.00 0.00 S ATOM 0 H CYS A 5 2.223 -7.414 -3.504 1.00 0.00 H new ATOM 0 HA CYS A 5 1.102 -4.770 -3.593 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.350 -5.015 -5.109 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.179 -5.659 -6.242 1.00 0.00 H new ATOM 70 N THR A 6 -0.894 -5.733 -4.678 1.00 0.00 N ATOM 71 CA THR A 6 -2.116 -6.355 -5.172 1.00 0.00 C ATOM 72 C THR A 6 -1.968 -6.747 -6.650 1.00 0.00 C ATOM 73 O THR A 6 -2.488 -7.781 -7.060 1.00 0.00 O ATOM 74 CB THR A 6 -3.296 -5.393 -5.011 1.00 0.00 C ATOM 75 OG1 THR A 6 -2.845 -4.051 -4.958 1.00 0.00 O ATOM 76 CG2 THR A 6 -4.114 -5.652 -3.764 1.00 0.00 C ATOM 0 H THR A 6 -1.025 -4.802 -4.283 1.00 0.00 H new ATOM 0 HA THR A 6 -2.301 -7.257 -4.588 1.00 0.00 H new ATOM 0 HB THR A 6 -3.928 -5.563 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.287 -3.586 -4.217 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.934 -4.935 -3.711 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.518 -6.664 -3.798 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.480 -5.543 -2.884 1.00 0.00 H new ATOM 84 N GLU A 7 -1.261 -5.906 -7.444 1.00 0.00 N ATOM 85 CA GLU A 7 -1.045 -6.146 -8.880 1.00 0.00 C ATOM 86 C GLU A 7 -1.252 -7.607 -9.280 1.00 0.00 C ATOM 87 O GLU A 7 -0.295 -8.368 -9.425 1.00 0.00 O ATOM 88 CB GLU A 7 0.365 -5.703 -9.275 1.00 0.00 C ATOM 89 CG GLU A 7 0.454 -5.154 -10.690 1.00 0.00 C ATOM 90 CD GLU A 7 1.596 -5.762 -11.481 1.00 0.00 C ATOM 91 OE1 GLU A 7 2.553 -6.263 -10.853 1.00 0.00 O ATOM 92 OE2 GLU A 7 1.533 -5.740 -12.728 1.00 0.00 O ATOM 0 H GLU A 7 -0.829 -5.048 -7.102 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.792 -5.558 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.707 -4.940 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.044 -6.550 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.485 -5.345 -11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.581 -4.072 -10.649 1.00 0.00 H new ATOM 99 N PHE A 8 -2.512 -7.981 -9.464 1.00 0.00 N ATOM 100 CA PHE A 8 -2.870 -9.336 -9.858 1.00 0.00 C ATOM 101 C PHE A 8 -4.280 -9.343 -10.444 1.00 0.00 C ATOM 102 O PHE A 8 -4.734 -8.333 -10.981 1.00 0.00 O ATOM 103 CB PHE A 8 -2.772 -10.279 -8.655 1.00 0.00 C ATOM 104 CG PHE A 8 -2.134 -11.600 -8.979 1.00 0.00 C ATOM 105 CD1 PHE A 8 -0.800 -11.666 -9.349 1.00 0.00 C ATOM 106 CD2 PHE A 8 -2.866 -12.774 -8.911 1.00 0.00 C ATOM 107 CE1 PHE A 8 -0.210 -12.879 -9.648 1.00 0.00 C ATOM 108 CE2 PHE A 8 -2.281 -13.990 -9.208 1.00 0.00 C ATOM 109 CZ PHE A 8 -0.952 -14.043 -9.577 1.00 0.00 C ATOM 0 H PHE A 8 -3.310 -7.357 -9.345 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.175 -9.688 -10.620 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.198 -9.791 -7.867 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.772 -10.455 -8.259 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.215 -10.760 -9.404 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.906 -12.738 -8.622 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.830 -12.918 -9.937 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.863 -14.898 -9.151 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.493 -14.992 -9.810 1.00 0.00 H new ATOM 119 N ASN A 9 -4.981 -10.468 -10.334 1.00 0.00 N ATOM 120 CA ASN A 9 -6.339 -10.554 -10.852 1.00 0.00 C ATOM 121 C ASN A 9 -7.278 -9.698 -10.003 1.00 0.00 C ATOM 122 O ASN A 9 -7.916 -8.775 -10.512 1.00 0.00 O ATOM 123 CB ASN A 9 -6.815 -12.008 -10.880 1.00 0.00 C ATOM 124 CG ASN A 9 -6.885 -12.565 -12.288 1.00 0.00 C ATOM 125 OD1 ASN A 9 -7.704 -12.133 -13.100 1.00 0.00 O ATOM 126 ND2 ASN A 9 -6.024 -13.531 -12.585 1.00 0.00 N ATOM 0 H ASN A 9 -4.635 -11.322 -9.896 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.347 -10.175 -11.874 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.139 -12.620 -10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.799 -12.074 -10.416 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.024 -13.945 -13.517 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.362 -13.859 -11.881 1.00 0.00 H new ATOM 133 N PRO A 10 -7.373 -9.985 -8.691 1.00 0.00 N ATOM 134 CA PRO A 10 -8.227 -9.240 -7.775 1.00 0.00 C ATOM 135 C PRO A 10 -7.478 -8.112 -7.067 1.00 0.00 C ATOM 136 O PRO A 10 -7.060 -8.260 -5.919 1.00 0.00 O ATOM 137 CB PRO A 10 -8.624 -10.320 -6.779 1.00 0.00 C ATOM 138 CG PRO A 10 -7.412 -11.191 -6.671 1.00 0.00 C ATOM 139 CD PRO A 10 -6.659 -11.061 -7.980 1.00 0.00 C ATOM 0 HA PRO A 10 -9.060 -8.747 -8.275 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.892 -9.891 -5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.489 -10.884 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.787 -10.881 -5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.696 -12.228 -6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.612 -10.806 -7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.675 -11.993 -8.545 1.00 0.00 H new ATOM 147 N LEU A 11 -7.307 -6.984 -7.755 1.00 0.00 N ATOM 148 CA LEU A 11 -6.605 -5.837 -7.179 1.00 0.00 C ATOM 149 C LEU A 11 -7.195 -5.462 -5.835 1.00 0.00 C ATOM 150 O LEU A 11 -8.183 -6.056 -5.416 1.00 0.00 O ATOM 151 CB LEU A 11 -6.653 -4.644 -8.135 1.00 0.00 C ATOM 152 CG LEU A 11 -5.837 -4.815 -9.419 1.00 0.00 C ATOM 153 CD1 LEU A 11 -6.638 -4.365 -10.631 1.00 0.00 C ATOM 154 CD2 LEU A 11 -4.528 -4.044 -9.325 1.00 0.00 C ATOM 0 H LEU A 11 -7.643 -6.840 -8.707 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.563 -6.119 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.692 -4.454 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.294 -3.760 -7.608 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.606 -5.873 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.039 -4.495 -11.532 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.546 -4.963 -10.709 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.904 -3.314 -10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.961 -4.177 -10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.739 -2.985 -9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.945 -4.418 -8.483 1.00 0.00 H new ATOM 166 N CYS A 12 -6.559 -4.495 -5.156 1.00 0.00 N ATOM 167 CA CYS A 12 -6.981 -4.042 -3.832 1.00 0.00 C ATOM 168 C CYS A 12 -8.420 -4.407 -3.508 1.00 0.00 C ATOM 169 O CYS A 12 -9.277 -3.547 -3.304 1.00 0.00 O ATOM 170 CB CYS A 12 -6.785 -2.543 -3.688 1.00 0.00 C ATOM 171 SG CYS A 12 -7.856 -1.525 -4.754 1.00 0.00 S ATOM 0 H CYS A 12 -5.738 -4.008 -5.514 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.347 -4.565 -3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.962 -2.266 -2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.745 -2.304 -3.909 1.00 0.00 H new ATOM 176 N ARG A 13 -8.652 -5.700 -3.435 1.00 0.00 N ATOM 177 CA ARG A 13 -9.967 -6.229 -3.100 1.00 0.00 C ATOM 178 C ARG A 13 -10.030 -6.448 -1.600 1.00 0.00 C ATOM 179 O ARG A 13 -10.510 -7.474 -1.118 1.00 0.00 O ATOM 180 CB ARG A 13 -10.230 -7.542 -3.842 1.00 0.00 C ATOM 181 CG ARG A 13 -11.705 -7.882 -3.977 1.00 0.00 C ATOM 182 CD ARG A 13 -12.219 -7.595 -5.378 1.00 0.00 C ATOM 183 NE ARG A 13 -11.807 -6.277 -5.853 1.00 0.00 N ATOM 184 CZ ARG A 13 -12.200 -5.749 -7.011 1.00 0.00 C ATOM 185 NH1 ARG A 13 -13.014 -6.425 -7.813 1.00 0.00 N ATOM 186 NH2 ARG A 13 -11.780 -4.544 -7.366 1.00 0.00 N ATOM 0 H ARG A 13 -7.943 -6.414 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.735 -5.518 -3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.787 -7.482 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.726 -8.353 -3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.859 -8.935 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.280 -7.305 -3.253 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.850 -8.359 -6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.307 -7.659 -5.385 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.181 -5.728 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.341 -7.353 -7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.312 -6.017 -8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.156 -4.020 -6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.081 -4.140 -8.253 1.00 0.00 H new ATOM 200 N CYS A 14 -9.494 -5.476 -0.873 1.00 0.00 N ATOM 201 CA CYS A 14 -9.425 -5.538 0.573 1.00 0.00 C ATOM 202 C CYS A 14 -9.557 -4.148 1.187 1.00 0.00 C ATOM 203 O CYS A 14 -8.707 -3.285 0.976 1.00 0.00 O ATOM 204 CB CYS A 14 -8.091 -6.165 0.985 1.00 0.00 C ATOM 205 SG CYS A 14 -6.774 -6.028 -0.272 1.00 0.00 S ATOM 0 H CYS A 14 -9.097 -4.626 -1.273 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.251 -6.148 0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.749 -5.691 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.253 -7.219 1.211 1.00 0.00 H new ATOM 210 N ASN A 15 -10.623 -3.943 1.949 1.00 0.00 N ATOM 211 CA ASN A 15 -10.862 -2.657 2.599 1.00 0.00 C ATOM 212 C ASN A 15 -10.806 -2.800 4.096 1.00 0.00 C ATOM 213 O ASN A 15 -10.349 -1.897 4.794 1.00 0.00 O ATOM 214 CB ASN A 15 -12.223 -2.114 2.228 1.00 0.00 C ATOM 215 CG ASN A 15 -12.126 -0.779 1.517 1.00 0.00 C ATOM 216 OD1 ASN A 15 -12.825 -0.531 0.534 1.00 0.00 O ATOM 217 ND2 ASN A 15 -11.251 0.088 2.019 1.00 0.00 N ATOM 0 H ASN A 15 -11.336 -4.648 2.133 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.084 -1.972 2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.737 -2.830 1.587 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.827 -2.002 3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.137 1.005 1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.694 -0.164 2.836 1.00 0.00 H new ATOM 224 N LYS A 16 -11.293 -3.930 4.585 1.00 0.00 N ATOM 225 CA LYS A 16 -11.307 -4.198 6.017 1.00 0.00 C ATOM 226 C LYS A 16 -9.887 -4.212 6.570 1.00 0.00 C ATOM 227 O LYS A 16 -9.471 -5.163 7.232 1.00 0.00 O ATOM 228 CB LYS A 16 -12.000 -5.529 6.315 1.00 0.00 C ATOM 229 CG LYS A 16 -12.027 -5.878 7.796 1.00 0.00 C ATOM 230 CD LYS A 16 -13.445 -6.124 8.289 1.00 0.00 C ATOM 231 CE LYS A 16 -13.518 -7.334 9.206 1.00 0.00 C ATOM 232 NZ LYS A 16 -14.683 -8.205 8.886 1.00 0.00 N ATOM 0 H LYS A 16 -11.684 -4.677 4.012 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.867 -3.400 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.023 -5.490 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.491 -6.325 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.421 -6.767 7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.578 -5.067 8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.804 -5.242 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.106 -6.273 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.598 -7.912 9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.588 -7.001 10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.697 -9.018 9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.563 -7.661 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.604 -8.544 7.906 1.00 0.00 H new ATOM 246 N MET A 17 -9.151 -3.144 6.280 1.00 0.00 N ATOM 247 CA MET A 17 -7.768 -2.987 6.722 1.00 0.00 C ATOM 248 C MET A 17 -7.543 -3.616 8.096 1.00 0.00 C ATOM 249 O MET A 17 -8.173 -3.230 9.081 1.00 0.00 O ATOM 250 CB MET A 17 -7.402 -1.501 6.750 1.00 0.00 C ATOM 251 CG MET A 17 -8.320 -0.662 7.625 1.00 0.00 C ATOM 252 SD MET A 17 -9.513 0.292 6.666 1.00 0.00 S ATOM 253 CE MET A 17 -8.804 1.933 6.776 1.00 0.00 C ATOM 0 H MET A 17 -9.498 -2.359 5.729 1.00 0.00 H new ATOM 0 HA MET A 17 -7.123 -3.507 6.014 1.00 0.00 H new ATOM 0 HB2 MET A 17 -6.378 -1.395 7.107 1.00 0.00 H new ATOM 0 HB3 MET A 17 -7.427 -1.110 5.733 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.854 -1.315 8.316 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.719 0.018 8.229 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.431 2.638 6.230 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.745 2.235 7.822 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.803 1.927 6.344 1.00 0.00 H new ATOM 263 N LEU A 18 -6.643 -4.591 8.149 1.00 0.00 N ATOM 264 CA LEU A 18 -6.338 -5.281 9.399 1.00 0.00 C ATOM 265 C LEU A 18 -5.381 -4.456 10.254 1.00 0.00 C ATOM 266 O LEU A 18 -4.268 -4.887 10.559 1.00 0.00 O ATOM 267 CB LEU A 18 -5.751 -6.679 9.136 1.00 0.00 C ATOM 268 CG LEU A 18 -5.142 -6.900 7.747 1.00 0.00 C ATOM 269 CD1 LEU A 18 -4.129 -8.032 7.783 1.00 0.00 C ATOM 270 CD2 LEU A 18 -6.234 -7.192 6.726 1.00 0.00 C ATOM 0 H LEU A 18 -6.112 -4.922 7.343 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.274 -5.404 9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.982 -6.875 9.884 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.539 -7.417 9.287 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.627 -5.987 7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.707 -8.174 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.331 -7.784 8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.621 -8.950 8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.784 -7.346 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.777 -8.090 7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.924 -6.349 6.680 1.00 0.00 H new ATOM 282 N GLY A 19 -5.832 -3.266 10.641 1.00 0.00 N ATOM 283 CA GLY A 19 -5.018 -2.385 11.466 1.00 0.00 C ATOM 284 C GLY A 19 -3.585 -2.267 10.978 1.00 0.00 C ATOM 285 O GLY A 19 -2.670 -2.055 11.773 1.00 0.00 O ATOM 0 H GLY A 19 -6.750 -2.894 10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.471 -1.394 11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.017 -2.755 12.491 1.00 0.00 H new ATOM 289 N ASP A 20 -3.389 -2.407 9.671 1.00 0.00 N ATOM 290 CA ASP A 20 -2.060 -2.316 9.084 1.00 0.00 C ATOM 291 C ASP A 20 -1.583 -0.868 9.033 1.00 0.00 C ATOM 292 O ASP A 20 -2.328 0.056 9.358 1.00 0.00 O ATOM 293 CB ASP A 20 -2.058 -2.910 7.675 1.00 0.00 C ATOM 294 CG ASP A 20 -2.988 -4.100 7.535 1.00 0.00 C ATOM 295 OD1 ASP A 20 -2.655 -5.180 8.066 1.00 0.00 O ATOM 296 OD2 ASP A 20 -4.050 -3.949 6.895 1.00 0.00 O ATOM 0 H ASP A 20 -4.135 -2.584 8.999 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.376 -2.885 9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.351 -2.140 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.044 -3.215 7.416 1.00 0.00 H new ATOM 301 N LEU A 21 -0.335 -0.683 8.618 1.00 0.00 N ATOM 302 CA LEU A 21 0.249 0.649 8.516 1.00 0.00 C ATOM 303 C LEU A 21 1.452 0.641 7.581 1.00 0.00 C ATOM 304 O LEU A 21 2.578 0.392 8.003 1.00 0.00 O ATOM 305 CB LEU A 21 0.665 1.156 9.897 1.00 0.00 C ATOM 306 CG LEU A 21 1.432 2.482 9.899 1.00 0.00 C ATOM 307 CD1 LEU A 21 0.747 3.498 8.997 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.556 3.020 11.316 1.00 0.00 C ATOM 0 H LEU A 21 0.293 -1.440 8.346 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.506 1.320 8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.229 1.271 10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.283 0.396 10.375 1.00 0.00 H new ATOM 0 HG LEU A 21 2.434 2.302 9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.307 4.433 9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.710 3.113 7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.267 3.676 9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.103 3.962 11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.562 3.185 11.731 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.092 2.299 11.933 1.00 0.00 H new ATOM 320 N ILE A 22 1.202 0.912 6.306 1.00 0.00 N ATOM 321 CA ILE A 22 2.259 0.930 5.304 1.00 0.00 C ATOM 322 C ILE A 22 2.771 2.342 5.053 1.00 0.00 C ATOM 323 O ILE A 22 2.005 3.304 5.066 1.00 0.00 O ATOM 324 CB ILE A 22 1.772 0.331 3.966 1.00 0.00 C ATOM 325 CG1 ILE A 22 2.778 0.596 2.851 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.415 0.895 3.588 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.459 1.820 2.012 1.00 0.00 C ATOM 0 H ILE A 22 0.273 1.123 5.941 1.00 0.00 H new ATOM 0 HA ILE A 22 3.072 0.322 5.700 1.00 0.00 H new ATOM 0 HB ILE A 22 1.679 -0.747 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.768 0.717 3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.822 -0.277 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.091 0.460 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.309 0.653 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.487 1.978 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.220 1.941 1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.483 1.695 1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.444 2.704 2.649 1.00 0.00 H new ATOM 339 N CYS A 23 4.069 2.448 4.788 1.00 0.00 N ATOM 340 CA CYS A 23 4.683 3.736 4.492 1.00 0.00 C ATOM 341 C CYS A 23 5.074 3.782 3.023 1.00 0.00 C ATOM 342 O CYS A 23 6.214 3.487 2.663 1.00 0.00 O ATOM 343 CB CYS A 23 5.911 3.976 5.370 1.00 0.00 C ATOM 344 SG CYS A 23 6.534 5.690 5.308 1.00 0.00 S ATOM 0 H CYS A 23 4.715 1.658 4.772 1.00 0.00 H new ATOM 0 HA CYS A 23 3.960 4.524 4.705 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.663 3.726 6.402 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.706 3.298 5.060 1.00 0.00 H new ATOM 349 N ALA A 24 4.113 4.126 2.177 1.00 0.00 N ATOM 350 CA ALA A 24 4.348 4.180 0.741 1.00 0.00 C ATOM 351 C ALA A 24 5.055 5.458 0.329 1.00 0.00 C ATOM 352 O ALA A 24 4.686 6.554 0.746 1.00 0.00 O ATOM 353 CB ALA A 24 3.041 4.041 -0.016 1.00 0.00 C ATOM 0 H ALA A 24 3.164 4.372 2.460 1.00 0.00 H new ATOM 0 HA ALA A 24 5.001 3.344 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.235 4.084 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.577 3.086 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.370 4.853 0.264 1.00 0.00 H new ATOM 359 N VAL A 25 6.069 5.298 -0.508 1.00 0.00 N ATOM 360 CA VAL A 25 6.838 6.419 -1.006 1.00 0.00 C ATOM 361 C VAL A 25 6.924 6.387 -2.527 1.00 0.00 C ATOM 362 O VAL A 25 6.943 5.311 -3.145 1.00 0.00 O ATOM 363 CB VAL A 25 8.256 6.437 -0.403 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.093 5.284 -0.937 1.00 0.00 C ATOM 365 CG2 VAL A 25 8.936 7.771 -0.674 1.00 0.00 C ATOM 0 H VAL A 25 6.378 4.391 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 25 6.321 7.329 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 25 8.166 6.311 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.088 5.322 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.617 4.338 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.174 5.365 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.936 7.764 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.008 7.931 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.352 8.575 -0.226 1.00 0.00 H new ATOM 375 N ILE A 26 6.967 7.577 -3.115 1.00 0.00 N ATOM 376 CA ILE A 26 7.047 7.727 -4.562 1.00 0.00 C ATOM 377 C ILE A 26 8.193 8.657 -4.942 1.00 0.00 C ATOM 378 O ILE A 26 8.009 9.865 -5.082 1.00 0.00 O ATOM 379 CB ILE A 26 5.738 8.280 -5.171 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.867 8.949 -4.095 1.00 0.00 C ATOM 381 CG2 ILE A 26 4.973 7.179 -5.894 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.141 7.978 -3.182 1.00 0.00 C ATOM 0 H ILE A 26 6.947 8.460 -2.605 1.00 0.00 H new ATOM 0 HA ILE A 26 7.220 6.729 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 26 6.001 9.043 -5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.497 9.598 -3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.131 9.587 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.055 7.590 -6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.590 6.773 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.725 6.385 -5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.551 8.535 -2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.482 7.344 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.868 7.356 -2.660 1.00 0.00 H new ATOM 394 N GLY A 27 9.377 8.083 -5.094 1.00 0.00 N ATOM 395 CA GLY A 27 10.552 8.856 -5.448 1.00 0.00 C ATOM 396 C GLY A 27 11.034 9.707 -4.298 1.00 0.00 C ATOM 397 O GLY A 27 12.174 9.580 -3.848 1.00 0.00 O ATOM 0 H GLY A 27 9.547 7.084 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.350 8.182 -5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.323 9.495 -6.301 1.00 0.00 H new ATOM 401 N ASP A 28 10.154 10.571 -3.818 1.00 0.00 N ATOM 402 CA ASP A 28 10.468 11.453 -2.704 1.00 0.00 C ATOM 403 C ASP A 28 9.195 11.884 -1.984 1.00 0.00 C ATOM 404 O ASP A 28 9.172 12.913 -1.309 1.00 0.00 O ATOM 405 CB ASP A 28 11.233 12.681 -3.197 1.00 0.00 C ATOM 406 CG ASP A 28 10.426 13.510 -4.178 1.00 0.00 C ATOM 407 OD1 ASP A 28 9.760 12.914 -5.049 1.00 0.00 O ATOM 408 OD2 ASP A 28 10.462 14.754 -4.073 1.00 0.00 O ATOM 0 H ASP A 28 9.209 10.681 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 28 11.096 10.905 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.509 13.300 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.160 12.361 -3.672 1.00 0.00 H new ATOM 413 N ALA A 29 8.135 11.090 -2.130 1.00 0.00 N ATOM 414 CA ALA A 29 6.863 11.401 -1.487 1.00 0.00 C ATOM 415 C ALA A 29 6.361 10.214 -0.674 1.00 0.00 C ATOM 416 O ALA A 29 5.643 9.356 -1.187 1.00 0.00 O ATOM 417 CB ALA A 29 5.829 11.811 -2.527 1.00 0.00 C ATOM 0 H ALA A 29 8.133 10.233 -2.684 1.00 0.00 H new ATOM 0 HA ALA A 29 7.021 12.236 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.885 12.040 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.181 12.693 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.679 10.994 -3.233 1.00 0.00 H new ATOM 423 N LYS A 30 6.748 10.168 0.598 1.00 0.00 N ATOM 424 CA LYS A 30 6.344 9.080 1.479 1.00 0.00 C ATOM 425 C LYS A 30 5.128 9.459 2.320 1.00 0.00 C ATOM 426 O LYS A 30 4.957 10.616 2.703 1.00 0.00 O ATOM 427 CB LYS A 30 7.504 8.674 2.390 1.00 0.00 C ATOM 428 CG LYS A 30 7.897 9.743 3.395 1.00 0.00 C ATOM 429 CD LYS A 30 9.284 9.490 3.964 1.00 0.00 C ATOM 430 CE LYS A 30 9.360 8.147 4.672 1.00 0.00 C ATOM 431 NZ LYS A 30 10.230 8.201 5.879 1.00 0.00 N ATOM 0 H LYS A 30 7.340 10.871 1.040 1.00 0.00 H new ATOM 0 HA LYS A 30 6.067 8.234 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.231 7.766 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.370 8.432 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.872 10.721 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.169 9.767 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.019 9.521 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.542 10.286 4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.357 7.833 4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.743 7.395 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.965 7.436 6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.224 8.086 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.109 9.119 6.353 1.00 0.00 H new ATOM 445 N GLU A 31 4.291 8.465 2.605 1.00 0.00 N ATOM 446 CA GLU A 31 3.088 8.671 3.406 1.00 0.00 C ATOM 447 C GLU A 31 2.637 7.357 4.035 1.00 0.00 C ATOM 448 O GLU A 31 3.084 6.283 3.631 1.00 0.00 O ATOM 449 CB GLU A 31 1.965 9.249 2.541 1.00 0.00 C ATOM 450 CG GLU A 31 2.241 10.660 2.049 1.00 0.00 C ATOM 451 CD GLU A 31 1.085 11.237 1.257 1.00 0.00 C ATOM 452 OE1 GLU A 31 0.792 10.709 0.163 1.00 0.00 O ATOM 453 OE2 GLU A 31 0.472 12.217 1.730 1.00 0.00 O ATOM 0 H GLU A 31 4.425 7.504 2.291 1.00 0.00 H new ATOM 0 HA GLU A 31 3.321 9.380 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.808 8.598 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.038 9.248 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.449 11.304 2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.136 10.656 1.427 1.00 0.00 H new ATOM 460 N GLU A 32 1.754 7.439 5.027 1.00 0.00 N ATOM 461 CA GLU A 32 1.260 6.242 5.700 1.00 0.00 C ATOM 462 C GLU A 32 -0.151 5.895 5.257 1.00 0.00 C ATOM 463 O GLU A 32 -0.986 6.774 5.046 1.00 0.00 O ATOM 464 CB GLU A 32 1.278 6.415 7.217 1.00 0.00 C ATOM 465 CG GLU A 32 2.566 5.939 7.870 1.00 0.00 C ATOM 466 CD GLU A 32 2.578 6.164 9.370 1.00 0.00 C ATOM 467 OE1 GLU A 32 1.643 6.813 9.883 1.00 0.00 O ATOM 468 OE2 GLU A 32 3.524 5.689 10.033 1.00 0.00 O ATOM 0 H GLU A 32 1.369 8.315 5.380 1.00 0.00 H new ATOM 0 HA GLU A 32 1.929 5.427 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.127 7.468 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.439 5.867 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.702 4.877 7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.411 6.461 7.421 1.00 0.00 H new ATOM 475 N HIS A 33 -0.409 4.601 5.136 1.00 0.00 N ATOM 476 CA HIS A 33 -1.724 4.119 4.736 1.00 0.00 C ATOM 477 C HIS A 33 -2.014 2.762 5.369 1.00 0.00 C ATOM 478 O HIS A 33 -1.133 1.917 5.479 1.00 0.00 O ATOM 479 CB HIS A 33 -1.823 4.012 3.212 1.00 0.00 C ATOM 480 CG HIS A 33 -0.846 4.877 2.479 1.00 0.00 C ATOM 481 ND1 HIS A 33 0.519 4.726 2.584 1.00 0.00 N ATOM 482 CD2 HIS A 33 -1.041 5.898 1.615 1.00 0.00 C ATOM 483 CE1 HIS A 33 1.118 5.615 1.815 1.00 0.00 C ATOM 484 NE2 HIS A 33 0.195 6.339 1.217 1.00 0.00 N ATOM 0 H HIS A 33 0.275 3.865 5.309 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.465 4.838 5.086 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.665 2.974 2.919 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.834 4.280 2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.994 6.293 1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.185 5.730 1.696 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.371 7.103 0.564 1.00 0.00 H new ATOM 493 N ARG A 34 -3.256 2.563 5.786 1.00 0.00 N ATOM 494 CA ARG A 34 -3.659 1.305 6.411 1.00 0.00 C ATOM 495 C ARG A 34 -3.912 0.225 5.364 1.00 0.00 C ATOM 496 O ARG A 34 -3.359 -0.871 5.444 1.00 0.00 O ATOM 497 CB ARG A 34 -4.921 1.498 7.240 1.00 0.00 C ATOM 498 CG ARG A 34 -4.653 1.762 8.713 1.00 0.00 C ATOM 499 CD ARG A 34 -5.010 0.556 9.567 1.00 0.00 C ATOM 500 NE ARG A 34 -4.589 0.722 10.957 1.00 0.00 N ATOM 501 CZ ARG A 34 -5.300 1.373 11.875 1.00 0.00 C ATOM 502 NH1 ARG A 34 -6.464 1.926 11.557 1.00 0.00 N ATOM 503 NH2 ARG A 34 -4.846 1.471 13.116 1.00 0.00 N ATOM 0 H ARG A 34 -4.003 3.253 5.705 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.842 0.987 7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.491 2.331 6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.545 0.609 7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.601 2.011 8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.232 2.626 9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.087 0.394 9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.540 -0.335 9.150 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.698 0.315 11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.819 1.854 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.003 2.423 12.266 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.953 1.048 13.367 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.390 1.970 13.820 1.00 0.00 H new ATOM 517 N ASN A 35 -4.755 0.537 4.382 1.00 0.00 N ATOM 518 CA ASN A 35 -5.073 -0.420 3.332 1.00 0.00 C ATOM 519 C ASN A 35 -3.951 -0.457 2.310 1.00 0.00 C ATOM 520 O ASN A 35 -4.101 -0.013 1.171 1.00 0.00 O ATOM 521 CB ASN A 35 -6.398 -0.067 2.656 1.00 0.00 C ATOM 522 CG ASN A 35 -7.533 -0.956 3.121 1.00 0.00 C ATOM 523 OD1 ASN A 35 -7.568 -2.147 2.815 1.00 0.00 O ATOM 524 ND2 ASN A 35 -8.469 -0.383 3.870 1.00 0.00 N ATOM 0 H ASN A 35 -5.225 1.438 4.294 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.177 -1.407 3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.645 0.974 2.866 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.288 -0.157 1.575 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.255 -0.934 4.214 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.402 0.608 4.101 1.00 0.00 H new ATOM 531 N MET A 36 -2.821 -0.991 2.746 1.00 0.00 N ATOM 532 CA MET A 36 -1.637 -1.106 1.912 1.00 0.00 C ATOM 533 C MET A 36 -1.961 -1.735 0.565 1.00 0.00 C ATOM 534 O MET A 36 -1.268 -1.489 -0.423 1.00 0.00 O ATOM 535 CB MET A 36 -0.592 -1.942 2.643 1.00 0.00 C ATOM 536 CG MET A 36 0.674 -2.191 1.838 1.00 0.00 C ATOM 537 SD MET A 36 1.049 -3.947 1.650 1.00 0.00 S ATOM 538 CE MET A 36 -0.507 -4.560 1.010 1.00 0.00 C ATOM 0 H MET A 36 -2.700 -1.357 3.690 1.00 0.00 H new ATOM 0 HA MET A 36 -1.249 -0.106 1.721 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.326 -1.440 3.573 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.033 -2.901 2.913 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.567 -1.739 0.852 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.513 -1.695 2.326 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.439 -5.637 0.859 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.304 -4.343 1.721 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.727 -4.073 0.060 1.00 0.00 H new ATOM 548 N CYS A 37 -3.014 -2.541 0.521 1.00 0.00 N ATOM 549 CA CYS A 37 -3.403 -3.182 -0.723 1.00 0.00 C ATOM 550 C CYS A 37 -4.165 -2.198 -1.601 1.00 0.00 C ATOM 551 O CYS A 37 -3.981 -2.168 -2.816 1.00 0.00 O ATOM 552 CB CYS A 37 -4.213 -4.457 -0.459 1.00 0.00 C ATOM 553 SG CYS A 37 -5.944 -4.200 0.046 1.00 0.00 S ATOM 0 H CYS A 37 -3.605 -2.763 1.322 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.503 -3.485 -1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.204 -5.065 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.708 -5.032 0.317 1.00 0.00 H new ATOM 558 N ALA A 38 -4.990 -1.364 -0.973 1.00 0.00 N ATOM 559 CA ALA A 38 -5.743 -0.348 -1.701 1.00 0.00 C ATOM 560 C ALA A 38 -4.806 0.696 -2.281 1.00 0.00 C ATOM 561 O ALA A 38 -5.175 1.445 -3.184 1.00 0.00 O ATOM 562 CB ALA A 38 -6.782 0.302 -0.798 1.00 0.00 C ATOM 0 H ALA A 38 -5.153 -1.372 0.034 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.266 -0.834 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.332 1.056 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.475 -0.457 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.284 0.773 0.049 1.00 0.00 H new ATOM 568 N LEU A 39 -3.586 0.726 -1.769 1.00 0.00 N ATOM 569 CA LEU A 39 -2.585 1.658 -2.244 1.00 0.00 C ATOM 570 C LEU A 39 -1.924 1.122 -3.487 1.00 0.00 C ATOM 571 O LEU A 39 -1.827 1.805 -4.493 1.00 0.00 O ATOM 572 CB LEU A 39 -1.531 1.878 -1.172 1.00 0.00 C ATOM 573 CG LEU A 39 -1.095 3.325 -0.997 1.00 0.00 C ATOM 574 CD1 LEU A 39 -2.232 4.162 -0.438 1.00 0.00 C ATOM 575 CD2 LEU A 39 0.124 3.401 -0.102 1.00 0.00 C ATOM 0 H LEU A 39 -3.267 0.111 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.074 2.605 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.918 1.512 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.655 1.276 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.829 3.730 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.900 5.194 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.079 4.129 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.534 3.765 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.425 4.442 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.115 2.981 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.941 2.835 -0.550 1.00 0.00 H new ATOM 587 N CYS A 40 -1.467 -0.109 -3.402 1.00 0.00 N ATOM 588 CA CYS A 40 -0.801 -0.744 -4.522 1.00 0.00 C ATOM 589 C CYS A 40 -1.688 -0.730 -5.756 1.00 0.00 C ATOM 590 O CYS A 40 -1.195 -0.659 -6.881 1.00 0.00 O ATOM 591 CB CYS A 40 -0.398 -2.169 -4.163 1.00 0.00 C ATOM 592 SG CYS A 40 1.402 -2.408 -4.092 1.00 0.00 S ATOM 0 H CYS A 40 -1.544 -0.692 -2.568 1.00 0.00 H new ATOM 0 HA CYS A 40 0.102 -0.178 -4.750 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.831 -2.430 -3.197 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.820 -2.855 -4.897 1.00 0.00 H new ATOM 597 N CYS A 41 -2.999 -0.788 -5.547 1.00 0.00 N ATOM 598 CA CYS A 41 -3.928 -0.770 -6.664 1.00 0.00 C ATOM 599 C CYS A 41 -4.173 0.655 -7.145 1.00 0.00 C ATOM 600 O CYS A 41 -4.399 0.898 -8.330 1.00 0.00 O ATOM 601 CB CYS A 41 -5.240 -1.426 -6.249 1.00 0.00 C ATOM 602 SG CYS A 41 -6.544 -0.285 -5.676 1.00 0.00 S ATOM 0 H CYS A 41 -3.435 -0.847 -4.627 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.493 -1.331 -7.491 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.625 -1.994 -7.096 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.032 -2.141 -5.453 1.00 0.00 H new ATOM 607 N GLU A 42 -4.154 1.583 -6.201 1.00 0.00 N ATOM 608 CA GLU A 42 -4.404 2.996 -6.506 1.00 0.00 C ATOM 609 C GLU A 42 -3.117 3.803 -6.725 1.00 0.00 C ATOM 610 O GLU A 42 -3.171 5.020 -6.900 1.00 0.00 O ATOM 611 CB GLU A 42 -5.224 3.635 -5.383 1.00 0.00 C ATOM 612 CG GLU A 42 -6.315 4.567 -5.881 1.00 0.00 C ATOM 613 CD GLU A 42 -5.790 5.943 -6.239 1.00 0.00 C ATOM 614 OE1 GLU A 42 -4.800 6.381 -5.616 1.00 0.00 O ATOM 615 OE2 GLU A 42 -6.367 6.582 -7.144 1.00 0.00 O ATOM 0 H GLU A 42 -3.969 1.391 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.959 3.019 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.678 2.847 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.554 4.191 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.793 4.126 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.083 4.664 -5.113 1.00 0.00 H new ATOM 622 N HIS A 43 -1.967 3.138 -6.707 1.00 0.00 N ATOM 623 CA HIS A 43 -0.688 3.822 -6.897 1.00 0.00 C ATOM 624 C HIS A 43 -0.006 3.376 -8.186 1.00 0.00 C ATOM 625 O HIS A 43 -0.542 2.554 -8.930 1.00 0.00 O ATOM 626 CB HIS A 43 0.213 3.611 -5.677 1.00 0.00 C ATOM 627 CG HIS A 43 0.206 4.798 -4.763 1.00 0.00 C ATOM 628 ND1 HIS A 43 1.194 5.760 -4.763 1.00 0.00 N ATOM 629 CD2 HIS A 43 -0.693 5.190 -3.828 1.00 0.00 C ATOM 630 CE1 HIS A 43 0.905 6.688 -3.868 1.00 0.00 C ATOM 631 NE2 HIS A 43 -0.236 6.366 -3.289 1.00 0.00 N ATOM 0 H HIS A 43 -1.891 2.131 -6.564 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.880 4.891 -6.994 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.119 2.729 -5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.233 3.415 -6.009 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.601 4.672 -3.557 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.501 7.561 -3.648 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.703 6.904 -2.559 1.00 0.00 H new ATOM 640 N PRO A 44 1.179 3.936 -8.480 1.00 0.00 N ATOM 641 CA PRO A 44 1.926 3.615 -9.700 1.00 0.00 C ATOM 642 C PRO A 44 2.092 2.116 -9.905 1.00 0.00 C ATOM 643 O PRO A 44 1.585 1.313 -9.122 1.00 0.00 O ATOM 644 CB PRO A 44 3.280 4.289 -9.469 1.00 0.00 C ATOM 645 CG PRO A 44 2.974 5.428 -8.557 1.00 0.00 C ATOM 646 CD PRO A 44 1.879 4.936 -7.651 1.00 0.00 C ATOM 0 HA PRO A 44 1.413 3.959 -10.598 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.995 3.601 -9.019 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.717 4.636 -10.406 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.855 5.720 -7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.654 6.305 -9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.279 4.494 -6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.214 5.744 -7.348 1.00 0.00 H new ATOM 654 N GLY A 45 2.809 1.744 -10.963 1.00 0.00 N ATOM 655 CA GLY A 45 3.034 0.339 -11.254 1.00 0.00 C ATOM 656 C GLY A 45 3.443 -0.452 -10.026 1.00 0.00 C ATOM 657 O GLY A 45 3.241 -1.664 -9.964 1.00 0.00 O ATOM 0 H GLY A 45 3.238 2.392 -11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.125 -0.092 -11.673 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.809 0.249 -12.015 1.00 0.00 H new ATOM 661 N GLY A 46 4.016 0.240 -9.046 1.00 0.00 N ATOM 662 CA GLY A 46 4.440 -0.414 -7.827 1.00 0.00 C ATOM 663 C GLY A 46 5.598 0.295 -7.166 1.00 0.00 C ATOM 664 O GLY A 46 6.592 -0.338 -6.819 1.00 0.00 O ATOM 0 H GLY A 46 4.193 1.244 -9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.601 -0.460 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.726 -1.442 -8.050 1.00 0.00 H new ATOM 668 N PHE A 47 5.461 1.612 -6.989 1.00 0.00 N ATOM 669 CA PHE A 47 6.495 2.431 -6.351 1.00 0.00 C ATOM 670 C PHE A 47 7.156 1.682 -5.185 1.00 0.00 C ATOM 671 O PHE A 47 7.880 0.713 -5.409 1.00 0.00 O ATOM 672 CB PHE A 47 5.911 3.779 -5.895 1.00 0.00 C ATOM 673 CG PHE A 47 4.692 3.700 -5.000 1.00 0.00 C ATOM 674 CD1 PHE A 47 3.825 2.612 -5.028 1.00 0.00 C ATOM 675 CD2 PHE A 47 4.409 4.741 -4.130 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.714 2.572 -4.211 1.00 0.00 C ATOM 677 CE2 PHE A 47 3.298 4.706 -3.317 1.00 0.00 C ATOM 678 CZ PHE A 47 2.450 3.620 -3.358 1.00 0.00 C ATOM 0 H PHE A 47 4.637 2.137 -7.281 1.00 0.00 H new ATOM 0 HA PHE A 47 7.272 2.633 -7.088 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.690 4.331 -5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.651 4.359 -6.780 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.024 1.788 -5.698 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.071 5.594 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.052 1.719 -4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.091 5.528 -2.648 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.578 3.591 -2.721 1.00 0.00 H new ATOM 688 N GLU A 48 6.931 2.114 -3.944 1.00 0.00 N ATOM 689 CA GLU A 48 7.544 1.424 -2.814 1.00 0.00 C ATOM 690 C GLU A 48 6.822 1.729 -1.509 1.00 0.00 C ATOM 691 O GLU A 48 6.213 2.784 -1.353 1.00 0.00 O ATOM 692 CB GLU A 48 9.019 1.805 -2.698 1.00 0.00 C ATOM 693 CG GLU A 48 9.314 3.250 -3.064 1.00 0.00 C ATOM 694 CD GLU A 48 9.685 3.418 -4.523 1.00 0.00 C ATOM 695 OE1 GLU A 48 10.759 2.922 -4.924 1.00 0.00 O ATOM 696 OE2 GLU A 48 8.901 4.045 -5.267 1.00 0.00 O ATOM 0 H GLU A 48 6.347 2.914 -3.701 1.00 0.00 H new ATOM 0 HA GLU A 48 7.462 0.353 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.351 1.625 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.605 1.150 -3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.440 3.863 -2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.129 3.620 -2.441 1.00 0.00 H new ATOM 703 N TYR A 49 6.906 0.791 -0.571 1.00 0.00 N ATOM 704 CA TYR A 49 6.276 0.948 0.733 1.00 0.00 C ATOM 705 C TYR A 49 7.193 0.506 1.842 1.00 0.00 C ATOM 706 O TYR A 49 8.279 -0.028 1.612 1.00 0.00 O ATOM 707 CB TYR A 49 4.941 0.203 0.815 1.00 0.00 C ATOM 708 CG TYR A 49 4.989 -1.316 0.827 1.00 0.00 C ATOM 709 CD1 TYR A 49 5.973 -2.020 1.515 1.00 0.00 C ATOM 710 CD2 TYR A 49 4.003 -2.049 0.175 1.00 0.00 C ATOM 711 CE1 TYR A 49 5.978 -3.398 1.545 1.00 0.00 C ATOM 712 CE2 TYR A 49 3.999 -3.430 0.209 1.00 0.00 C ATOM 713 CZ TYR A 49 4.990 -4.097 0.895 1.00 0.00 C ATOM 714 OH TYR A 49 4.990 -5.470 0.939 1.00 0.00 O ATOM 0 H TYR A 49 7.407 -0.089 -0.692 1.00 0.00 H new ATOM 0 HA TYR A 49 6.073 2.011 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.427 0.531 1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.329 0.514 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.747 -1.476 2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.227 -1.529 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.755 -3.926 2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.223 -3.984 -0.299 1.00 0.00 H new ATOM 0 HH TYR A 49 4.394 -5.774 1.655 1.00 0.00 H new ATOM 724 N SER A 50 6.728 0.730 3.048 1.00 0.00 N ATOM 725 CA SER A 50 7.462 0.359 4.237 1.00 0.00 C ATOM 726 C SER A 50 6.481 -0.015 5.326 1.00 0.00 C ATOM 727 O SER A 50 6.145 0.794 6.191 1.00 0.00 O ATOM 728 CB SER A 50 8.357 1.497 4.697 1.00 0.00 C ATOM 729 OG SER A 50 8.440 2.517 3.717 1.00 0.00 O ATOM 0 H SER A 50 5.829 1.175 3.234 1.00 0.00 H new ATOM 0 HA SER A 50 8.101 -0.495 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.969 1.914 5.627 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.355 1.114 4.911 1.00 0.00 H new ATOM 0 HG SER A 50 7.542 2.855 3.520 1.00 0.00 H new ATOM 735 N ASN A 51 6.003 -1.241 5.253 1.00 0.00 N ATOM 736 CA ASN A 51 5.028 -1.728 6.210 1.00 0.00 C ATOM 737 C ASN A 51 5.522 -1.573 7.634 1.00 0.00 C ATOM 738 O ASN A 51 6.637 -1.965 7.980 1.00 0.00 O ATOM 739 CB ASN A 51 4.654 -3.179 5.944 1.00 0.00 C ATOM 740 CG ASN A 51 4.084 -3.386 4.556 1.00 0.00 C ATOM 741 OD1 ASN A 51 4.389 -2.636 3.630 1.00 0.00 O ATOM 742 ND2 ASN A 51 3.244 -4.403 4.406 1.00 0.00 N ATOM 0 H ASN A 51 6.274 -1.919 4.541 1.00 0.00 H new ATOM 0 HA ASN A 51 4.135 -1.116 6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.536 -3.807 6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.924 -3.504 6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.824 -4.587 3.495 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.019 -5.000 5.202 1.00 0.00 H new ATOM 749 N GLY A 52 4.666 -0.990 8.444 1.00 0.00 N ATOM 750 CA GLY A 52 4.982 -0.760 9.843 1.00 0.00 C ATOM 751 C GLY A 52 5.093 0.717 10.174 1.00 0.00 C ATOM 752 O GLY A 52 4.673 1.564 9.386 1.00 0.00 O ATOM 0 H GLY A 52 3.742 -0.664 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.211 -1.213 10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.921 -1.256 10.087 1.00 0.00 H new ATOM 756 N PRO A 53 5.664 1.062 11.341 1.00 0.00 N ATOM 757 CA PRO A 53 5.828 2.458 11.758 1.00 0.00 C ATOM 758 C PRO A 53 6.682 3.248 10.772 1.00 0.00 C ATOM 759 O PRO A 53 7.635 2.718 10.201 1.00 0.00 O ATOM 760 CB PRO A 53 6.531 2.358 13.118 1.00 0.00 C ATOM 761 CG PRO A 53 7.119 0.988 13.154 1.00 0.00 C ATOM 762 CD PRO A 53 6.201 0.124 12.340 1.00 0.00 C ATOM 0 HA PRO A 53 4.874 2.983 11.805 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.303 3.121 13.219 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.827 2.506 13.937 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.127 0.985 12.740 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.194 0.622 14.178 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.735 -0.703 11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.410 -0.312 12.950 1.00 0.00 H new ATOM 770 N CYS A 54 6.331 4.514 10.568 1.00 0.00 N ATOM 771 CA CYS A 54 7.068 5.363 9.640 1.00 0.00 C ATOM 772 C CYS A 54 6.638 6.823 9.763 1.00 0.00 C ATOM 773 O CYS A 54 7.339 7.636 10.366 1.00 0.00 O ATOM 774 CB CYS A 54 6.861 4.868 8.208 1.00 0.00 C ATOM 775 SG CYS A 54 7.731 5.844 6.941 1.00 0.00 S ATOM 0 H CYS A 54 5.545 4.972 11.030 1.00 0.00 H new ATOM 0 HA CYS A 54 8.127 5.306 9.892 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.194 3.832 8.143 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.794 4.875 7.985 1.00 0.00 H new ATOM 780 N GLU A 55 5.483 7.151 9.190 1.00 0.00 N ATOM 781 CA GLU A 55 4.968 8.515 9.238 1.00 0.00 C ATOM 782 C GLU A 55 4.281 8.791 10.572 1.00 0.00 C ATOM 783 O GLU A 55 4.996 9.067 11.558 1.00 0.00 O ATOM 784 CB GLU A 55 3.992 8.758 8.083 1.00 0.00 C ATOM 785 CG GLU A 55 3.885 10.218 7.674 1.00 0.00 C ATOM 786 CD GLU A 55 2.455 10.646 7.405 1.00 0.00 C ATOM 787 OE1 GLU A 55 1.779 9.981 6.593 1.00 0.00 O ATOM 788 OE2 GLU A 55 2.013 11.649 8.004 1.00 0.00 O ATOM 789 OXT GLU A 55 3.034 8.731 10.621 1.00 0.00 O ATOM 0 H GLU A 55 4.888 6.492 8.688 1.00 0.00 H new ATOM 0 HA GLU A 55 5.811 9.199 9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.308 8.170 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.005 8.397 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.305 10.844 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.485 10.386 6.779 1.00 0.00 H new TER 796 GLU A 55