USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 392 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 34 GLN : amide:sc= -0.186! K(o=0.51!,f=1.1) USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0.7 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.086 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -126:sc= 0.445 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 16 GLN : amide:sc= -12.6! C(o=-13!,f=-17!) USER MOD Single : A 17 MET CE :methyl 176:sc= -3.46! (180deg=-3.73!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.126 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -108:sc= 0.339 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.2! C(o=-5.2!,f=-5!) USER MOD Single : A 46 THR OG1 : rot 99:sc= 0.832 USER MOD Single : A 48 GLN : amide:sc= -4.41! K(o=-4.4!,f=-1.4) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -80:sc= 0.421 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.011 -17.443 2.907 1.00 0.00 N ATOM 2 CA GLY A 1 32.127 -16.468 2.767 1.00 0.00 C ATOM 3 C GLY A 1 31.635 -15.048 2.575 1.00 0.00 C ATOM 4 O GLY A 1 30.435 -14.783 2.656 1.00 0.00 O ATOM 0 H1 GLY A 1 31.080 -17.919 3.829 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.102 -16.942 2.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.070 -18.150 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.759 -16.514 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.749 -16.752 1.918 1.00 0.00 H new ATOM 10 N SER A 2 32.563 -14.134 2.321 1.00 0.00 N ATOM 11 CA SER A 2 32.218 -12.734 2.115 1.00 0.00 C ATOM 12 C SER A 2 32.661 -12.260 0.734 1.00 0.00 C ATOM 13 O SER A 2 33.825 -11.918 0.527 1.00 0.00 O ATOM 14 CB SER A 2 32.859 -11.861 3.196 1.00 0.00 C ATOM 15 OG SER A 2 33.130 -12.613 4.367 1.00 0.00 O ATOM 0 H SER A 2 33.560 -14.337 2.253 1.00 0.00 H new ATOM 0 HA SER A 2 31.134 -12.642 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.784 -11.428 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.195 -11.031 3.439 1.00 0.00 H new ATOM 0 HG SER A 2 33.541 -12.032 5.041 1.00 0.00 H new ATOM 21 N PRO A 3 31.729 -12.235 -0.229 1.00 0.00 N ATOM 22 CA PRO A 3 32.001 -11.806 -1.590 1.00 0.00 C ATOM 23 C PRO A 3 31.731 -10.319 -1.791 1.00 0.00 C ATOM 24 O PRO A 3 30.994 -9.703 -1.021 1.00 0.00 O ATOM 25 CB PRO A 3 31.019 -12.648 -2.405 1.00 0.00 C ATOM 26 CG PRO A 3 29.880 -12.958 -1.475 1.00 0.00 C ATOM 27 CD PRO A 3 30.326 -12.626 -0.068 1.00 0.00 C ATOM 0 HA PRO A 3 33.045 -11.940 -1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 3 30.671 -12.103 -3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 3 31.491 -13.562 -2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 3 28.999 -12.375 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 3 29.602 -14.009 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 3 29.732 -11.818 0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 3 30.223 -13.484 0.597 1.00 0.00 H new ATOM 35 N PRO A 4 32.324 -9.724 -2.835 1.00 0.00 N ATOM 36 CA PRO A 4 32.145 -8.300 -3.140 1.00 0.00 C ATOM 37 C PRO A 4 30.695 -7.961 -3.460 1.00 0.00 C ATOM 38 O PRO A 4 30.363 -7.617 -4.594 1.00 0.00 O ATOM 39 CB PRO A 4 33.032 -8.076 -4.371 1.00 0.00 C ATOM 40 CG PRO A 4 33.224 -9.432 -4.960 1.00 0.00 C ATOM 41 CD PRO A 4 33.213 -10.387 -3.801 1.00 0.00 C ATOM 0 HA PRO A 4 32.410 -7.667 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 4 32.557 -7.400 -5.082 1.00 0.00 H new ATOM 0 HB3 PRO A 4 33.986 -7.627 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 4 32.429 -9.667 -5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 4 34.165 -9.491 -5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 4 32.835 -11.368 -4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 4 34.212 -10.538 -3.393 1.00 0.00 H new ATOM 49 N GLU A 5 29.831 -8.059 -2.454 1.00 0.00 N ATOM 50 CA GLU A 5 28.416 -7.760 -2.635 1.00 0.00 C ATOM 51 C GLU A 5 27.867 -7.000 -1.433 1.00 0.00 C ATOM 52 O GLU A 5 26.688 -7.115 -1.101 1.00 0.00 O ATOM 53 CB GLU A 5 27.620 -9.050 -2.844 1.00 0.00 C ATOM 54 CG GLU A 5 27.517 -9.470 -4.302 1.00 0.00 C ATOM 55 CD GLU A 5 26.464 -10.539 -4.530 1.00 0.00 C ATOM 56 OE1 GLU A 5 25.296 -10.178 -4.781 1.00 0.00 O ATOM 57 OE2 GLU A 5 26.810 -11.737 -4.461 1.00 0.00 O ATOM 0 H GLU A 5 30.086 -8.342 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 5 28.313 -7.133 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 5 28.089 -9.853 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 5 26.616 -8.917 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 5 27.281 -8.598 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 5 28.485 -9.842 -4.638 1.00 0.00 H new ATOM 64 N ALA A 6 28.740 -6.233 -0.783 1.00 0.00 N ATOM 65 CA ALA A 6 28.362 -5.455 0.392 1.00 0.00 C ATOM 66 C ALA A 6 28.598 -6.258 1.660 1.00 0.00 C ATOM 67 O ALA A 6 27.667 -6.572 2.401 1.00 0.00 O ATOM 68 CB ALA A 6 26.912 -5.007 0.305 1.00 0.00 C ATOM 0 H ALA A 6 29.719 -6.134 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 6 28.989 -4.564 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.656 -4.429 1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.775 -4.389 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 6 26.264 -5.881 0.242 1.00 0.00 H new ATOM 74 N ASP A 7 29.860 -6.581 1.900 1.00 0.00 N ATOM 75 CA ASP A 7 30.255 -7.341 3.072 1.00 0.00 C ATOM 76 C ASP A 7 30.946 -6.425 4.061 1.00 0.00 C ATOM 77 O ASP A 7 31.504 -5.401 3.672 1.00 0.00 O ATOM 78 CB ASP A 7 31.184 -8.489 2.677 1.00 0.00 C ATOM 79 CG ASP A 7 30.427 -9.666 2.093 1.00 0.00 C ATOM 80 OD1 ASP A 7 29.261 -9.877 2.488 1.00 0.00 O ATOM 81 OD2 ASP A 7 30.998 -10.375 1.240 1.00 0.00 O ATOM 0 H ASP A 7 30.635 -6.324 1.289 1.00 0.00 H new ATOM 0 HA ASP A 7 29.365 -7.765 3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 7 31.912 -8.131 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 7 31.744 -8.818 3.552 1.00 0.00 H new ATOM 86 N PRO A 8 30.924 -6.779 5.352 1.00 0.00 N ATOM 87 CA PRO A 8 31.555 -5.985 6.392 1.00 0.00 C ATOM 88 C PRO A 8 32.757 -5.225 5.847 1.00 0.00 C ATOM 89 O PRO A 8 32.828 -4.000 5.937 1.00 0.00 O ATOM 90 CB PRO A 8 31.961 -7.058 7.394 1.00 0.00 C ATOM 91 CG PRO A 8 30.864 -8.076 7.303 1.00 0.00 C ATOM 92 CD PRO A 8 30.299 -7.990 5.899 1.00 0.00 C ATOM 0 HA PRO A 8 30.916 -5.212 6.820 1.00 0.00 H new ATOM 0 HB2 PRO A 8 32.929 -7.492 7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.045 -6.651 8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 8 31.248 -9.076 7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.090 -7.877 8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 8 30.550 -8.872 5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.212 -7.912 5.908 1.00 0.00 H new ATOM 100 N ARG A 9 33.692 -5.966 5.272 1.00 0.00 N ATOM 101 CA ARG A 9 34.896 -5.388 4.691 1.00 0.00 C ATOM 102 C ARG A 9 34.569 -4.338 3.627 1.00 0.00 C ATOM 103 O ARG A 9 35.142 -3.249 3.619 1.00 0.00 O ATOM 104 CB ARG A 9 35.735 -6.503 4.066 1.00 0.00 C ATOM 105 CG ARG A 9 35.948 -7.697 4.982 1.00 0.00 C ATOM 106 CD ARG A 9 36.281 -7.264 6.401 1.00 0.00 C ATOM 107 NE ARG A 9 37.512 -7.879 6.886 1.00 0.00 N ATOM 108 CZ ARG A 9 38.049 -7.613 8.071 1.00 0.00 C ATOM 109 NH1 ARG A 9 37.464 -6.745 8.887 1.00 0.00 N ATOM 110 NH2 ARG A 9 39.171 -8.213 8.442 1.00 0.00 N ATOM 0 H ARG A 9 33.639 -6.982 5.195 1.00 0.00 H new ATOM 0 HA ARG A 9 35.451 -4.891 5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.249 -6.841 3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 9 36.706 -6.098 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 9 35.049 -8.314 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 9 36.756 -8.316 4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.380 -6.179 6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.457 -7.530 7.064 1.00 0.00 H new ATOM 0 HE ARG A 9 37.986 -8.550 6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.601 -6.281 8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.878 -6.542 9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.623 -8.880 7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 9 39.582 -8.008 9.353 1.00 0.00 H new ATOM 124 N LEU A 10 33.670 -4.688 2.712 1.00 0.00 N ATOM 125 CA LEU A 10 33.296 -3.793 1.623 1.00 0.00 C ATOM 126 C LEU A 10 32.252 -2.763 2.059 1.00 0.00 C ATOM 127 O LEU A 10 32.106 -1.708 1.445 1.00 0.00 O ATOM 128 CB LEU A 10 32.799 -4.600 0.426 1.00 0.00 C ATOM 129 CG LEU A 10 33.883 -5.409 -0.292 1.00 0.00 C ATOM 130 CD1 LEU A 10 34.621 -4.542 -1.298 1.00 0.00 C ATOM 131 CD2 LEU A 10 34.864 -5.999 0.713 1.00 0.00 C ATOM 0 H LEU A 10 33.187 -5.586 2.703 1.00 0.00 H new ATOM 0 HA LEU A 10 34.186 -3.237 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.019 -5.282 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 10 32.339 -3.918 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 10 33.399 -6.226 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 10 35.387 -5.136 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 10 33.916 -4.163 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 10 35.090 -3.705 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 10 35.627 -6.570 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 10 35.338 -5.194 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 10 34.330 -6.655 1.400 1.00 0.00 H new ATOM 143 N ILE A 11 31.553 -3.042 3.142 1.00 0.00 N ATOM 144 CA ILE A 11 30.579 -2.092 3.651 1.00 0.00 C ATOM 145 C ILE A 11 31.261 -1.203 4.676 1.00 0.00 C ATOM 146 O ILE A 11 30.846 -0.072 4.929 1.00 0.00 O ATOM 147 CB ILE A 11 29.356 -2.781 4.286 1.00 0.00 C ATOM 148 CG1 ILE A 11 29.782 -3.601 5.502 1.00 0.00 C ATOM 149 CG2 ILE A 11 28.656 -3.665 3.265 1.00 0.00 C ATOM 150 CD1 ILE A 11 28.631 -4.296 6.194 1.00 0.00 C ATOM 0 H ILE A 11 31.637 -3.904 3.680 1.00 0.00 H new ATOM 0 HA ILE A 11 30.208 -1.504 2.811 1.00 0.00 H new ATOM 0 HB ILE A 11 28.655 -2.014 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 11 30.512 -4.348 5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 11 30.282 -2.946 6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 11 27.794 -4.145 3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 11 28.323 -3.056 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 11 29.348 -4.428 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 11 29.007 -4.859 7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.911 -3.553 6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 11 28.144 -4.977 5.496 1.00 0.00 H new ATOM 162 N GLU A 12 32.342 -1.735 5.231 1.00 0.00 N ATOM 163 CA GLU A 12 33.147 -1.019 6.203 1.00 0.00 C ATOM 164 C GLU A 12 34.331 -0.345 5.514 1.00 0.00 C ATOM 165 O GLU A 12 34.491 0.873 5.574 1.00 0.00 O ATOM 166 CB GLU A 12 33.646 -1.970 7.292 1.00 0.00 C ATOM 167 CG GLU A 12 34.360 -1.266 8.435 1.00 0.00 C ATOM 168 CD GLU A 12 34.349 -2.078 9.717 1.00 0.00 C ATOM 169 OE1 GLU A 12 33.385 -2.844 9.924 1.00 0.00 O ATOM 170 OE2 GLU A 12 35.304 -1.946 10.511 1.00 0.00 O ATOM 0 H GLU A 12 32.682 -2.673 5.019 1.00 0.00 H new ATOM 0 HA GLU A 12 32.526 -0.254 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 12 32.799 -2.527 7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 12 34.323 -2.698 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 12 35.391 -1.065 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 12 33.886 -0.301 8.616 1.00 0.00 H new ATOM 177 N SER A 13 35.178 -1.165 4.889 1.00 0.00 N ATOM 178 CA SER A 13 36.377 -0.677 4.213 1.00 0.00 C ATOM 179 C SER A 13 36.101 -0.094 2.823 1.00 0.00 C ATOM 180 O SER A 13 36.661 0.944 2.471 1.00 0.00 O ATOM 181 CB SER A 13 37.403 -1.804 4.098 1.00 0.00 C ATOM 182 OG SER A 13 37.158 -2.815 5.060 1.00 0.00 O ATOM 0 H SER A 13 35.053 -2.176 4.838 1.00 0.00 H new ATOM 0 HA SER A 13 36.766 0.137 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 13 37.366 -2.233 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.407 -1.402 4.236 1.00 0.00 H new ATOM 0 HG SER A 13 37.973 -2.978 5.579 1.00 0.00 H new ATOM 188 N LEU A 14 35.260 -0.751 2.021 1.00 0.00 N ATOM 189 CA LEU A 14 34.982 -0.240 0.679 1.00 0.00 C ATOM 190 C LEU A 14 34.056 0.957 0.755 1.00 0.00 C ATOM 191 O LEU A 14 34.463 2.072 0.427 1.00 0.00 O ATOM 192 CB LEU A 14 34.405 -1.324 -0.238 1.00 0.00 C ATOM 193 CG LEU A 14 33.742 -0.808 -1.516 1.00 0.00 C ATOM 194 CD1 LEU A 14 34.272 -1.555 -2.731 1.00 0.00 C ATOM 195 CD2 LEU A 14 32.230 -0.947 -1.422 1.00 0.00 C ATOM 0 H LEU A 14 34.773 -1.613 2.268 1.00 0.00 H new ATOM 0 HA LEU A 14 35.928 0.077 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.207 -2.009 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.672 -1.902 0.325 1.00 0.00 H new ATOM 0 HG LEU A 14 33.986 0.248 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 14 33.789 -1.175 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 14 35.349 -1.408 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.058 -2.619 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 14 31.773 -0.575 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 14 31.969 -1.996 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 14 31.863 -0.369 -0.574 1.00 0.00 H new ATOM 207 N SER A 15 32.821 0.744 1.201 1.00 0.00 N ATOM 208 CA SER A 15 31.878 1.851 1.326 1.00 0.00 C ATOM 209 C SER A 15 32.613 3.082 1.844 1.00 0.00 C ATOM 210 O SER A 15 32.666 4.114 1.183 1.00 0.00 O ATOM 211 CB SER A 15 30.732 1.474 2.268 1.00 0.00 C ATOM 212 OG SER A 15 30.385 2.559 3.111 1.00 0.00 O ATOM 0 H SER A 15 32.455 -0.167 1.477 1.00 0.00 H new ATOM 0 HA SER A 15 31.451 2.073 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 15 29.863 1.171 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 15 31.023 0.617 2.875 1.00 0.00 H new ATOM 0 HG SER A 15 29.650 2.292 3.702 1.00 0.00 H new ATOM 218 N GLN A 16 33.176 2.961 3.036 1.00 0.00 N ATOM 219 CA GLN A 16 33.915 4.056 3.645 1.00 0.00 C ATOM 220 C GLN A 16 34.695 4.830 2.582 1.00 0.00 C ATOM 221 O GLN A 16 34.916 6.032 2.713 1.00 0.00 O ATOM 222 CB GLN A 16 34.875 3.509 4.707 1.00 0.00 C ATOM 223 CG GLN A 16 36.082 4.397 4.968 1.00 0.00 C ATOM 224 CD GLN A 16 37.112 4.333 3.856 1.00 0.00 C ATOM 225 OE1 GLN A 16 37.169 3.362 3.102 1.00 0.00 O ATOM 226 NE2 GLN A 16 37.929 5.375 3.744 1.00 0.00 N ATOM 0 H GLN A 16 33.135 2.113 3.602 1.00 0.00 H new ATOM 0 HA GLN A 16 33.207 4.736 4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 16 34.328 3.373 5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 16 35.222 2.524 4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 16 35.749 5.428 5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 16 36.549 4.100 5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 16 37.847 6.159 4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 16 38.638 5.391 3.011 1.00 0.00 H new ATOM 235 N MET A 17 35.132 4.125 1.541 1.00 0.00 N ATOM 236 CA MET A 17 35.909 4.742 0.469 1.00 0.00 C ATOM 237 C MET A 17 35.031 5.172 -0.703 1.00 0.00 C ATOM 238 O MET A 17 35.431 6.016 -1.501 1.00 0.00 O ATOM 239 CB MET A 17 36.980 3.768 -0.027 1.00 0.00 C ATOM 240 CG MET A 17 37.928 4.372 -1.049 1.00 0.00 C ATOM 241 SD MET A 17 38.946 3.131 -1.870 1.00 0.00 S ATOM 242 CE MET A 17 39.966 2.576 -0.507 1.00 0.00 C ATOM 0 H MET A 17 34.961 3.127 1.417 1.00 0.00 H new ATOM 0 HA MET A 17 36.378 5.636 0.881 1.00 0.00 H new ATOM 0 HB2 MET A 17 37.558 3.412 0.826 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.492 2.898 -0.467 1.00 0.00 H new ATOM 0 HG2 MET A 17 37.351 4.916 -1.797 1.00 0.00 H new ATOM 0 HG3 MET A 17 38.574 5.098 -0.555 1.00 0.00 H new ATOM 0 HE1 MET A 17 40.602 1.755 -0.839 1.00 0.00 H new ATOM 0 HE2 MET A 17 40.589 3.400 -0.160 1.00 0.00 H new ATOM 0 HE3 MET A 17 39.329 2.234 0.309 1.00 0.00 H new ATOM 252 N LEU A 18 33.834 4.604 -0.801 1.00 0.00 N ATOM 253 CA LEU A 18 32.914 4.946 -1.882 1.00 0.00 C ATOM 254 C LEU A 18 32.138 6.228 -1.576 1.00 0.00 C ATOM 255 O LEU A 18 32.340 7.254 -2.225 1.00 0.00 O ATOM 256 CB LEU A 18 31.938 3.793 -2.128 1.00 0.00 C ATOM 257 CG LEU A 18 30.925 4.030 -3.247 1.00 0.00 C ATOM 258 CD1 LEU A 18 31.605 4.653 -4.457 1.00 0.00 C ATOM 259 CD2 LEU A 18 30.238 2.728 -3.630 1.00 0.00 C ATOM 0 H LEU A 18 33.478 3.907 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 18 33.507 5.118 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.511 2.896 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.395 3.593 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 18 30.166 4.723 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 18 30.869 4.815 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.049 5.607 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.385 3.984 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 18 29.520 2.917 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 18 30.983 2.011 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 18 29.718 2.322 -2.762 1.00 0.00 H new ATOM 271 N SER A 19 31.231 6.157 -0.600 1.00 0.00 N ATOM 272 CA SER A 19 30.395 7.300 -0.215 1.00 0.00 C ATOM 273 C SER A 19 31.179 8.418 0.483 1.00 0.00 C ATOM 274 O SER A 19 30.581 9.351 1.022 1.00 0.00 O ATOM 275 CB SER A 19 29.258 6.829 0.693 1.00 0.00 C ATOM 276 OG SER A 19 28.103 6.501 -0.060 1.00 0.00 O ATOM 0 H SER A 19 31.054 5.312 -0.056 1.00 0.00 H new ATOM 0 HA SER A 19 29.998 7.720 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 19 29.582 5.959 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 19 29.016 7.611 1.413 1.00 0.00 H new ATOM 0 HG SER A 19 27.392 6.201 0.545 1.00 0.00 H new ATOM 282 N MET A 20 32.505 8.346 0.455 1.00 0.00 N ATOM 283 CA MET A 20 33.329 9.378 1.069 1.00 0.00 C ATOM 284 C MET A 20 34.035 10.186 -0.011 1.00 0.00 C ATOM 285 O MET A 20 34.448 11.324 0.213 1.00 0.00 O ATOM 286 CB MET A 20 34.353 8.763 2.021 1.00 0.00 C ATOM 287 CG MET A 20 34.718 9.669 3.186 1.00 0.00 C ATOM 288 SD MET A 20 35.944 10.915 2.743 1.00 0.00 S ATOM 289 CE MET A 20 35.605 12.173 3.973 1.00 0.00 C ATOM 0 H MET A 20 33.029 7.589 0.016 1.00 0.00 H new ATOM 0 HA MET A 20 32.682 10.038 1.647 1.00 0.00 H new ATOM 0 HB2 MET A 20 33.958 7.825 2.411 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.257 8.521 1.462 1.00 0.00 H new ATOM 0 HG2 MET A 20 33.818 10.164 3.551 1.00 0.00 H new ATOM 0 HG3 MET A 20 35.103 9.062 4.006 1.00 0.00 H new ATOM 0 HE1 MET A 20 36.285 13.013 3.831 1.00 0.00 H new ATOM 0 HE2 MET A 20 34.576 12.517 3.868 1.00 0.00 H new ATOM 0 HE3 MET A 20 35.748 11.755 4.970 1.00 0.00 H new ATOM 299 N GLY A 21 34.172 9.578 -1.183 1.00 0.00 N ATOM 300 CA GLY A 21 34.830 10.233 -2.292 1.00 0.00 C ATOM 301 C GLY A 21 36.208 9.665 -2.532 1.00 0.00 C ATOM 302 O GLY A 21 37.168 10.406 -2.742 1.00 0.00 O ATOM 0 H GLY A 21 33.836 8.636 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.227 10.120 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.906 11.302 -2.092 1.00 0.00 H new ATOM 306 N PHE A 22 36.305 8.340 -2.501 1.00 0.00 N ATOM 307 CA PHE A 22 37.564 7.666 -2.712 1.00 0.00 C ATOM 308 C PHE A 22 37.351 6.467 -3.612 1.00 0.00 C ATOM 309 O PHE A 22 36.287 5.850 -3.607 1.00 0.00 O ATOM 310 CB PHE A 22 38.161 7.222 -1.377 1.00 0.00 C ATOM 311 CG PHE A 22 38.575 8.367 -0.498 1.00 0.00 C ATOM 312 CD1 PHE A 22 39.394 9.370 -0.988 1.00 0.00 C ATOM 313 CD2 PHE A 22 38.144 8.439 0.817 1.00 0.00 C ATOM 314 CE1 PHE A 22 39.776 10.426 -0.184 1.00 0.00 C ATOM 315 CE2 PHE A 22 38.524 9.491 1.627 1.00 0.00 C ATOM 316 CZ PHE A 22 39.340 10.486 1.127 1.00 0.00 C ATOM 0 H PHE A 22 35.517 7.716 -2.330 1.00 0.00 H new ATOM 0 HA PHE A 22 38.261 8.355 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 22 37.430 6.612 -0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.027 6.588 -1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 22 39.738 9.326 -2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 22 37.504 7.664 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 22 40.414 11.203 -0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 22 38.183 9.535 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 22 39.637 11.310 1.759 1.00 0.00 H new ATOM 326 N SER A 23 38.355 6.139 -4.387 1.00 0.00 N ATOM 327 CA SER A 23 38.251 5.011 -5.281 1.00 0.00 C ATOM 328 C SER A 23 39.610 4.355 -5.440 1.00 0.00 C ATOM 329 O SER A 23 40.448 4.422 -4.539 1.00 0.00 O ATOM 330 CB SER A 23 37.715 5.454 -6.644 1.00 0.00 C ATOM 331 OG SER A 23 36.634 6.359 -6.499 1.00 0.00 O ATOM 0 H SER A 23 39.247 6.632 -4.418 1.00 0.00 H new ATOM 0 HA SER A 23 37.553 4.289 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 23 38.514 5.926 -7.216 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.389 4.582 -7.211 1.00 0.00 H new ATOM 0 HG SER A 23 36.311 6.628 -7.384 1.00 0.00 H new ATOM 337 N ASP A 24 39.842 3.746 -6.590 1.00 0.00 N ATOM 338 CA ASP A 24 41.122 3.116 -6.848 1.00 0.00 C ATOM 339 C ASP A 24 41.975 4.030 -7.717 1.00 0.00 C ATOM 340 O ASP A 24 41.637 4.298 -8.870 1.00 0.00 O ATOM 341 CB ASP A 24 40.931 1.760 -7.537 1.00 0.00 C ATOM 342 CG ASP A 24 39.497 1.517 -7.971 1.00 0.00 C ATOM 343 OD1 ASP A 24 38.657 1.211 -7.099 1.00 0.00 O ATOM 344 OD2 ASP A 24 39.216 1.632 -9.182 1.00 0.00 O ATOM 0 H ASP A 24 39.168 3.675 -7.352 1.00 0.00 H new ATOM 0 HA ASP A 24 41.627 2.946 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 24 41.584 1.705 -8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 24 41.240 0.966 -6.857 1.00 0.00 H new ATOM 349 N GLU A 25 43.079 4.511 -7.159 1.00 0.00 N ATOM 350 CA GLU A 25 43.973 5.401 -7.893 1.00 0.00 C ATOM 351 C GLU A 25 44.952 4.602 -8.743 1.00 0.00 C ATOM 352 O GLU A 25 46.151 4.881 -8.760 1.00 0.00 O ATOM 353 CB GLU A 25 44.733 6.316 -6.932 1.00 0.00 C ATOM 354 CG GLU A 25 45.019 7.694 -7.507 1.00 0.00 C ATOM 355 CD GLU A 25 46.493 8.044 -7.475 1.00 0.00 C ATOM 356 OE1 GLU A 25 47.324 7.139 -7.699 1.00 0.00 O ATOM 357 OE2 GLU A 25 46.818 9.225 -7.228 1.00 0.00 O ATOM 0 H GLU A 25 43.377 4.302 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 25 43.365 6.019 -8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 25 44.155 6.426 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 25 45.676 5.841 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 25 44.662 7.736 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 25 44.459 8.442 -6.945 1.00 0.00 H new ATOM 364 N GLY A 26 44.428 3.606 -9.448 1.00 0.00 N ATOM 365 CA GLY A 26 45.261 2.773 -10.298 1.00 0.00 C ATOM 366 C GLY A 26 44.885 1.300 -10.245 1.00 0.00 C ATOM 367 O GLY A 26 45.591 0.458 -10.797 1.00 0.00 O ATOM 0 H GLY A 26 43.438 3.359 -9.447 1.00 0.00 H new ATOM 0 HA2 GLY A 26 45.185 3.124 -11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.303 2.887 -9.999 1.00 0.00 H new ATOM 371 N GLY A 27 43.778 0.986 -9.576 1.00 0.00 N ATOM 372 CA GLY A 27 43.344 -0.392 -9.466 1.00 0.00 C ATOM 373 C GLY A 27 44.039 -1.112 -8.334 1.00 0.00 C ATOM 374 O GLY A 27 44.304 -2.311 -8.420 1.00 0.00 O ATOM 0 H GLY A 27 43.175 1.663 -9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.266 -0.422 -9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 27 43.543 -0.911 -10.403 1.00 0.00 H new ATOM 378 N TRP A 28 44.346 -0.374 -7.272 1.00 0.00 N ATOM 379 CA TRP A 28 45.026 -0.948 -6.124 1.00 0.00 C ATOM 380 C TRP A 28 44.045 -1.360 -5.035 1.00 0.00 C ATOM 381 O TRP A 28 44.300 -2.314 -4.312 1.00 0.00 O ATOM 382 CB TRP A 28 46.053 0.029 -5.552 1.00 0.00 C ATOM 383 CG TRP A 28 45.483 1.366 -5.201 1.00 0.00 C ATOM 384 CD1 TRP A 28 45.710 2.537 -5.851 1.00 0.00 C ATOM 385 CD2 TRP A 28 44.597 1.672 -4.119 1.00 0.00 C ATOM 386 NE1 TRP A 28 45.031 3.557 -5.236 1.00 0.00 N ATOM 387 CE2 TRP A 28 44.333 3.050 -4.176 1.00 0.00 C ATOM 388 CE3 TRP A 28 43.999 0.918 -3.111 1.00 0.00 C ATOM 389 CZ2 TRP A 28 43.498 3.688 -3.261 1.00 0.00 C ATOM 390 CZ3 TRP A 28 43.170 1.547 -2.205 1.00 0.00 C ATOM 391 CH2 TRP A 28 42.925 2.919 -2.285 1.00 0.00 C ATOM 0 H TRP A 28 44.134 0.620 -7.186 1.00 0.00 H new ATOM 0 HA TRP A 28 45.542 -1.842 -6.474 1.00 0.00 H new ATOM 0 HB2 TRP A 28 46.501 -0.410 -4.661 1.00 0.00 H new ATOM 0 HB3 TRP A 28 46.855 0.165 -6.278 1.00 0.00 H new ATOM 0 HD1 TRP A 28 46.334 2.648 -6.725 1.00 0.00 H new ATOM 0 HE1 TRP A 28 45.045 4.536 -5.523 1.00 0.00 H new ATOM 0 HE3 TRP A 28 44.182 -0.144 -3.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.310 4.750 -3.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 42.703 0.969 -1.421 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.270 3.383 -1.562 1.00 0.00 H new ATOM 402 N LEU A 29 42.926 -0.645 -4.904 1.00 0.00 N ATOM 403 CA LEU A 29 41.943 -0.974 -3.877 1.00 0.00 C ATOM 404 C LEU A 29 41.803 -2.483 -3.761 1.00 0.00 C ATOM 405 O LEU A 29 42.213 -3.077 -2.763 1.00 0.00 O ATOM 406 CB LEU A 29 40.596 -0.302 -4.188 1.00 0.00 C ATOM 407 CG LEU A 29 39.347 -1.040 -3.691 1.00 0.00 C ATOM 408 CD1 LEU A 29 38.976 -0.568 -2.294 1.00 0.00 C ATOM 409 CD2 LEU A 29 38.186 -0.822 -4.649 1.00 0.00 C ATOM 0 H LEU A 29 42.682 0.154 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 29 42.285 -0.591 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 29 40.601 0.697 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.515 -0.178 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 29 39.567 -2.107 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.088 -1.100 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 29 39.802 -0.767 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.772 0.503 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.307 -1.352 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 29 37.965 0.243 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.453 -1.201 -5.636 1.00 0.00 H new ATOM 421 N THR A 30 41.239 -3.101 -4.785 1.00 0.00 N ATOM 422 CA THR A 30 41.068 -4.548 -4.787 1.00 0.00 C ATOM 423 C THR A 30 42.298 -5.217 -4.177 1.00 0.00 C ATOM 424 O THR A 30 42.206 -6.291 -3.583 1.00 0.00 O ATOM 425 CB THR A 30 40.835 -5.054 -6.213 1.00 0.00 C ATOM 426 OG1 THR A 30 39.513 -4.762 -6.627 1.00 0.00 O ATOM 427 CG2 THR A 30 41.044 -6.547 -6.375 1.00 0.00 C ATOM 0 H THR A 30 40.893 -2.630 -5.621 1.00 0.00 H new ATOM 0 HA THR A 30 40.195 -4.802 -4.186 1.00 0.00 H new ATOM 0 HB THR A 30 41.575 -4.539 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.377 -5.089 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.861 -6.830 -7.412 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.069 -6.802 -6.105 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.353 -7.084 -5.725 1.00 0.00 H new ATOM 435 N ARG A 31 43.449 -4.567 -4.330 1.00 0.00 N ATOM 436 CA ARG A 31 44.707 -5.082 -3.798 1.00 0.00 C ATOM 437 C ARG A 31 44.982 -4.530 -2.398 1.00 0.00 C ATOM 438 O ARG A 31 45.012 -5.279 -1.423 1.00 0.00 O ATOM 439 CB ARG A 31 45.855 -4.716 -4.742 1.00 0.00 C ATOM 440 CG ARG A 31 45.400 -4.409 -6.160 1.00 0.00 C ATOM 441 CD ARG A 31 46.581 -4.278 -7.108 1.00 0.00 C ATOM 442 NE ARG A 31 47.390 -3.099 -6.817 1.00 0.00 N ATOM 443 CZ ARG A 31 48.301 -2.609 -7.651 1.00 0.00 C ATOM 444 NH1 ARG A 31 48.519 -3.196 -8.820 1.00 0.00 N ATOM 445 NH2 ARG A 31 48.998 -1.531 -7.317 1.00 0.00 N ATOM 0 H ARG A 31 43.536 -3.677 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 31 44.630 -6.167 -3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 31 46.381 -3.849 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 31 46.570 -5.539 -4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 31 44.737 -5.200 -6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 31 44.823 -3.484 -6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 31 47.203 -5.170 -7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 31 46.217 -4.223 -8.134 1.00 0.00 H new ATOM 0 HE ARG A 31 47.248 -2.625 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 31 47.987 -4.026 -9.081 1.00 0.00 H new ATOM 0 HH12 ARG A 31 49.219 -2.817 -9.458 1.00 0.00 H new ATOM 0 HH21 ARG A 31 48.835 -1.077 -6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 31 49.697 -1.157 -7.959 1.00 0.00 H new ATOM 459 N LEU A 32 45.178 -3.215 -2.302 1.00 0.00 N ATOM 460 CA LEU A 32 45.444 -2.568 -1.020 1.00 0.00 C ATOM 461 C LEU A 32 44.646 -3.246 0.094 1.00 0.00 C ATOM 462 O LEU A 32 45.222 -3.881 0.978 1.00 0.00 O ATOM 463 CB LEU A 32 45.104 -1.079 -1.115 1.00 0.00 C ATOM 464 CG LEU A 32 45.611 -0.208 0.032 1.00 0.00 C ATOM 465 CD1 LEU A 32 44.757 -0.406 1.271 1.00 0.00 C ATOM 466 CD2 LEU A 32 47.072 -0.510 0.322 1.00 0.00 C ATOM 0 H LEU A 32 45.157 -2.578 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 32 46.502 -2.667 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.512 -0.691 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.020 -0.976 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 32 45.534 0.838 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.134 0.223 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 32 43.725 -0.132 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.797 -1.451 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 32 47.418 0.119 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 32 47.179 -1.559 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 32 47.669 -0.308 -0.567 1.00 0.00 H new ATOM 478 N LEU A 33 43.319 -3.139 0.032 1.00 0.00 N ATOM 479 CA LEU A 33 42.460 -3.780 1.025 1.00 0.00 C ATOM 480 C LEU A 33 43.011 -5.167 1.341 1.00 0.00 C ATOM 481 O LEU A 33 43.469 -5.436 2.443 1.00 0.00 O ATOM 482 CB LEU A 33 41.033 -3.890 0.484 1.00 0.00 C ATOM 483 CG LEU A 33 40.437 -2.581 -0.034 1.00 0.00 C ATOM 484 CD1 LEU A 33 39.060 -2.825 -0.630 1.00 0.00 C ATOM 485 CD2 LEU A 33 40.365 -1.551 1.084 1.00 0.00 C ATOM 0 H LEU A 33 42.819 -2.619 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 33 42.442 -3.182 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.022 -4.622 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 33 40.390 -4.277 1.274 1.00 0.00 H new ATOM 0 HG LEU A 33 41.085 -2.190 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 33 38.649 -1.883 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 33 39.141 -3.530 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 33 38.401 -3.237 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 33 39.938 -0.625 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.737 -1.932 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 33 41.368 -1.357 1.466 1.00 0.00 H new ATOM 497 N GLN A 34 42.940 -6.033 0.345 1.00 0.00 N ATOM 498 CA GLN A 34 43.423 -7.410 0.458 1.00 0.00 C ATOM 499 C GLN A 34 44.706 -7.494 1.302 1.00 0.00 C ATOM 500 O GLN A 34 44.813 -8.320 2.206 1.00 0.00 O ATOM 501 CB GLN A 34 43.705 -7.950 -0.934 1.00 0.00 C ATOM 502 CG GLN A 34 42.455 -8.251 -1.742 1.00 0.00 C ATOM 503 CD GLN A 34 41.630 -9.373 -1.145 1.00 0.00 C ATOM 504 OE1 GLN A 34 42.097 -10.505 -1.025 1.00 0.00 O ATOM 505 NE2 GLN A 34 40.397 -9.061 -0.765 1.00 0.00 N ATOM 0 H GLN A 34 42.546 -5.807 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 34 42.654 -8.002 0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 34 44.312 -7.226 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 34 44.297 -8.861 -0.847 1.00 0.00 H new ATOM 0 HG2 GLN A 34 41.844 -7.351 -1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.740 -8.517 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 34 40.052 -8.108 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 34 39.794 -9.774 -0.354 1.00 0.00 H new ATOM 514 N THR A 35 45.671 -6.624 0.992 1.00 0.00 N ATOM 515 CA THR A 35 46.955 -6.575 1.706 1.00 0.00 C ATOM 516 C THR A 35 46.817 -5.858 3.051 1.00 0.00 C ATOM 517 O THR A 35 47.784 -5.699 3.797 1.00 0.00 O ATOM 518 CB THR A 35 48.010 -5.876 0.852 1.00 0.00 C ATOM 519 OG1 THR A 35 48.449 -6.723 -0.195 1.00 0.00 O ATOM 520 CG2 THR A 35 49.229 -5.447 1.638 1.00 0.00 C ATOM 0 H THR A 35 45.588 -5.936 0.243 1.00 0.00 H new ATOM 0 HA THR A 35 47.268 -7.601 1.897 1.00 0.00 H new ATOM 0 HB THR A 35 47.520 -4.985 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 35 49.123 -6.257 -0.732 1.00 0.00 H new ATOM 0 HG21 THR A 35 49.938 -4.957 0.971 1.00 0.00 H new ATOM 0 HG22 THR A 35 48.930 -4.752 2.423 1.00 0.00 H new ATOM 0 HG23 THR A 35 49.699 -6.322 2.088 1.00 0.00 H new ATOM 528 N LYS A 36 45.598 -5.447 3.338 1.00 0.00 N ATOM 529 CA LYS A 36 45.269 -4.758 4.571 1.00 0.00 C ATOM 530 C LYS A 36 44.107 -5.457 5.259 1.00 0.00 C ATOM 531 O LYS A 36 43.350 -4.840 6.008 1.00 0.00 O ATOM 532 CB LYS A 36 44.908 -3.303 4.275 1.00 0.00 C ATOM 533 CG LYS A 36 45.948 -2.310 4.762 1.00 0.00 C ATOM 534 CD LYS A 36 47.270 -2.501 4.038 1.00 0.00 C ATOM 535 CE LYS A 36 48.452 -2.205 4.945 1.00 0.00 C ATOM 536 NZ LYS A 36 49.082 -3.451 5.459 1.00 0.00 N ATOM 0 H LYS A 36 44.800 -5.583 2.717 1.00 0.00 H new ATOM 0 HA LYS A 36 46.135 -4.777 5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 36 44.776 -3.181 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 36 43.950 -3.072 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 36 45.587 -1.294 4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 36 46.097 -2.432 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 36 47.340 -3.525 3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 36 47.306 -1.847 3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 36 49.193 -1.623 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 36 48.122 -1.592 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 48.861 -3.560 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 48.713 -4.269 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 50.113 -3.396 5.334 1.00 0.00 H new ATOM 550 N ASN A 37 43.959 -6.751 4.981 1.00 0.00 N ATOM 551 CA ASN A 37 42.872 -7.524 5.557 1.00 0.00 C ATOM 552 C ASN A 37 41.576 -6.749 5.403 1.00 0.00 C ATOM 553 O ASN A 37 40.694 -6.811 6.257 1.00 0.00 O ATOM 554 CB ASN A 37 43.139 -7.812 7.034 1.00 0.00 C ATOM 555 CG ASN A 37 43.025 -6.566 7.892 1.00 0.00 C ATOM 556 OD1 ASN A 37 41.941 -6.008 8.055 1.00 0.00 O ATOM 557 ND2 ASN A 37 44.148 -6.123 8.445 1.00 0.00 N ATOM 0 H ASN A 37 44.576 -7.279 4.364 1.00 0.00 H new ATOM 0 HA ASN A 37 42.795 -8.477 5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 37 42.432 -8.562 7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 37 44.137 -8.237 7.145 1.00 0.00 H new ATOM 0 HD21 ASN A 37 44.133 -5.289 9.032 1.00 0.00 H new ATOM 0 HD22 ASN A 37 45.026 -6.617 8.283 1.00 0.00 H new ATOM 564 N TYR A 38 41.496 -5.989 4.313 1.00 0.00 N ATOM 565 CA TYR A 38 40.336 -5.156 4.031 1.00 0.00 C ATOM 566 C TYR A 38 40.329 -3.949 4.951 1.00 0.00 C ATOM 567 O TYR A 38 39.353 -3.702 5.658 1.00 0.00 O ATOM 568 CB TYR A 38 39.030 -5.928 4.205 1.00 0.00 C ATOM 569 CG TYR A 38 38.818 -7.027 3.189 1.00 0.00 C ATOM 570 CD1 TYR A 38 38.282 -6.749 1.938 1.00 0.00 C ATOM 571 CD2 TYR A 38 39.148 -8.342 3.485 1.00 0.00 C ATOM 572 CE1 TYR A 38 38.081 -7.753 1.010 1.00 0.00 C ATOM 573 CE2 TYR A 38 38.950 -9.351 2.564 1.00 0.00 C ATOM 574 CZ TYR A 38 38.417 -9.051 1.327 1.00 0.00 C ATOM 575 OH TYR A 38 38.218 -10.054 0.406 1.00 0.00 O ATOM 0 H TYR A 38 42.230 -5.935 3.606 1.00 0.00 H new ATOM 0 HA TYR A 38 40.408 -4.835 2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.009 -6.364 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.197 -5.228 4.145 1.00 0.00 H new ATOM 0 HD1 TYR A 38 38.018 -5.732 1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 38 39.567 -8.580 4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 38 37.663 -7.521 0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 38 39.211 -10.370 2.810 1.00 0.00 H new ATOM 0 HH TYR A 38 38.508 -10.909 0.786 1.00 0.00 H new ATOM 585 N ASP A 39 41.426 -3.204 4.952 1.00 0.00 N ATOM 586 CA ASP A 39 41.523 -2.026 5.809 1.00 0.00 C ATOM 587 C ASP A 39 41.789 -0.771 5.002 1.00 0.00 C ATOM 588 O ASP A 39 42.667 -0.745 4.141 1.00 0.00 O ATOM 589 CB ASP A 39 42.609 -2.213 6.872 1.00 0.00 C ATOM 590 CG ASP A 39 42.091 -2.942 8.097 1.00 0.00 C ATOM 591 OD1 ASP A 39 40.858 -2.969 8.293 1.00 0.00 O ATOM 592 OD2 ASP A 39 42.918 -3.486 8.859 1.00 0.00 O ATOM 0 H ASP A 39 42.250 -3.388 4.380 1.00 0.00 H new ATOM 0 HA ASP A 39 40.562 -1.907 6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.442 -2.771 6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.997 -1.238 7.168 1.00 0.00 H new ATOM 597 N ILE A 40 41.020 0.273 5.290 1.00 0.00 N ATOM 598 CA ILE A 40 41.170 1.531 4.596 1.00 0.00 C ATOM 599 C ILE A 40 42.237 2.358 5.272 1.00 0.00 C ATOM 600 O ILE A 40 42.805 3.273 4.678 1.00 0.00 O ATOM 601 CB ILE A 40 39.850 2.322 4.557 1.00 0.00 C ATOM 602 CG1 ILE A 40 39.410 2.702 5.974 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.771 1.509 3.855 1.00 0.00 C ATOM 604 CD1 ILE A 40 38.539 1.658 6.644 1.00 0.00 C ATOM 0 H ILE A 40 40.288 0.266 6.001 1.00 0.00 H new ATOM 0 HA ILE A 40 41.460 1.314 3.568 1.00 0.00 H new ATOM 0 HB ILE A 40 40.009 3.242 3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 40 40.296 2.870 6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.865 3.645 5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 40 37.842 2.079 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 40 39.086 1.290 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.611 0.575 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 40 38.267 1.998 7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 40 37.635 1.506 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 40 39.087 0.719 6.717 1.00 0.00 H new ATOM 616 N GLY A 41 42.514 2.018 6.526 1.00 0.00 N ATOM 617 CA GLY A 41 43.521 2.731 7.263 1.00 0.00 C ATOM 618 C GLY A 41 44.707 3.049 6.391 1.00 0.00 C ATOM 619 O GLY A 41 45.278 4.137 6.453 1.00 0.00 O ATOM 0 H GLY A 41 42.057 1.263 7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 41 43.100 3.654 7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 41 43.843 2.134 8.116 1.00 0.00 H new ATOM 623 N ALA A 42 45.056 2.084 5.559 1.00 0.00 N ATOM 624 CA ALA A 42 46.166 2.227 4.630 1.00 0.00 C ATOM 625 C ALA A 42 45.657 2.596 3.248 1.00 0.00 C ATOM 626 O ALA A 42 46.362 3.231 2.464 1.00 0.00 O ATOM 627 CB ALA A 42 46.994 0.953 4.578 1.00 0.00 C ATOM 0 H ALA A 42 44.581 1.183 5.507 1.00 0.00 H new ATOM 0 HA ALA A 42 46.809 3.032 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.818 1.083 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 42 47.392 0.737 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.366 0.124 4.250 1.00 0.00 H new ATOM 633 N ALA A 43 44.416 2.221 2.964 1.00 0.00 N ATOM 634 CA ALA A 43 43.811 2.548 1.680 1.00 0.00 C ATOM 635 C ALA A 43 43.921 4.046 1.450 1.00 0.00 C ATOM 636 O ALA A 43 44.272 4.504 0.365 1.00 0.00 O ATOM 637 CB ALA A 43 42.354 2.110 1.634 1.00 0.00 C ATOM 0 H ALA A 43 43.814 1.696 3.598 1.00 0.00 H new ATOM 0 HA ALA A 43 44.340 2.014 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 43 41.927 2.366 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.293 1.032 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.796 2.617 2.421 1.00 0.00 H new ATOM 643 N LEU A 44 43.640 4.800 2.507 1.00 0.00 N ATOM 644 CA LEU A 44 43.717 6.252 2.465 1.00 0.00 C ATOM 645 C LEU A 44 45.064 6.695 1.901 1.00 0.00 C ATOM 646 O LEU A 44 45.139 7.293 0.827 1.00 0.00 O ATOM 647 CB LEU A 44 43.527 6.826 3.872 1.00 0.00 C ATOM 648 CG LEU A 44 42.078 7.146 4.257 1.00 0.00 C ATOM 649 CD1 LEU A 44 41.182 5.934 4.044 1.00 0.00 C ATOM 650 CD2 LEU A 44 42.003 7.612 5.704 1.00 0.00 C ATOM 0 H LEU A 44 43.354 4.423 3.411 1.00 0.00 H new ATOM 0 HA LEU A 44 42.925 6.626 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 44 43.929 6.116 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 44 44.119 7.737 3.958 1.00 0.00 H new ATOM 0 HG LEU A 44 41.724 7.951 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 44 40.159 6.184 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.210 5.641 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 44 41.535 5.108 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 44 40.968 7.835 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 44 42.378 6.826 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 44 42.609 8.509 5.829 1.00 0.00 H new ATOM 662 N ASP A 45 46.122 6.404 2.647 1.00 0.00 N ATOM 663 CA ASP A 45 47.478 6.772 2.253 1.00 0.00 C ATOM 664 C ASP A 45 47.725 6.561 0.757 1.00 0.00 C ATOM 665 O ASP A 45 48.598 7.204 0.173 1.00 0.00 O ATOM 666 CB ASP A 45 48.492 5.967 3.068 1.00 0.00 C ATOM 667 CG ASP A 45 49.888 6.015 2.481 1.00 0.00 C ATOM 668 OD1 ASP A 45 50.226 7.026 1.831 1.00 0.00 O ATOM 669 OD2 ASP A 45 50.646 5.041 2.674 1.00 0.00 O ATOM 0 H ASP A 45 46.067 5.909 3.537 1.00 0.00 H new ATOM 0 HA ASP A 45 47.600 7.836 2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 45 48.518 6.351 4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 45 48.163 4.930 3.126 1.00 0.00 H new ATOM 674 N THR A 46 46.979 5.649 0.141 1.00 0.00 N ATOM 675 CA THR A 46 47.160 5.362 -1.281 1.00 0.00 C ATOM 676 C THR A 46 46.170 6.116 -2.174 1.00 0.00 C ATOM 677 O THR A 46 46.523 6.537 -3.276 1.00 0.00 O ATOM 678 CB THR A 46 47.047 3.860 -1.535 1.00 0.00 C ATOM 679 OG1 THR A 46 45.729 3.405 -1.289 1.00 0.00 O ATOM 680 CG2 THR A 46 47.988 3.040 -0.681 1.00 0.00 C ATOM 0 H THR A 46 46.250 5.100 0.597 1.00 0.00 H new ATOM 0 HA THR A 46 48.158 5.711 -1.545 1.00 0.00 H new ATOM 0 HB THR A 46 47.318 3.721 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.246 3.328 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 46 47.858 1.982 -0.909 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.017 3.333 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 46 47.768 3.213 0.372 1.00 0.00 H new ATOM 688 N ILE A 47 44.930 6.264 -1.717 1.00 0.00 N ATOM 689 CA ILE A 47 43.913 6.947 -2.523 1.00 0.00 C ATOM 690 C ILE A 47 44.261 8.414 -2.732 1.00 0.00 C ATOM 691 O ILE A 47 43.968 8.980 -3.785 1.00 0.00 O ATOM 692 CB ILE A 47 42.477 6.844 -1.936 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.459 6.047 -0.632 1.00 0.00 C ATOM 694 CG2 ILE A 47 41.533 6.204 -2.950 1.00 0.00 C ATOM 695 CD1 ILE A 47 41.127 6.089 0.083 1.00 0.00 C ATOM 0 H ILE A 47 44.605 5.928 -0.810 1.00 0.00 H new ATOM 0 HA ILE A 47 43.915 6.424 -3.479 1.00 0.00 H new ATOM 0 HB ILE A 47 42.138 7.856 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.715 5.009 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 47 43.231 6.435 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 47 40.532 6.139 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 47 41.504 6.812 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 47 41.888 5.203 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 47 41.187 5.502 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 47 40.878 7.121 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.354 5.674 -0.563 1.00 0.00 H new ATOM 707 N GLN A 48 44.886 9.034 -1.738 1.00 0.00 N ATOM 708 CA GLN A 48 45.258 10.439 -1.853 1.00 0.00 C ATOM 709 C GLN A 48 46.086 10.905 -0.658 1.00 0.00 C ATOM 710 O GLN A 48 47.156 11.488 -0.826 1.00 0.00 O ATOM 711 CB GLN A 48 44.004 11.310 -1.995 1.00 0.00 C ATOM 712 CG GLN A 48 43.681 11.675 -3.439 1.00 0.00 C ATOM 713 CD GLN A 48 42.284 11.256 -3.881 1.00 0.00 C ATOM 714 OE1 GLN A 48 41.653 11.938 -4.688 1.00 0.00 O ATOM 715 NE2 GLN A 48 41.792 10.135 -3.360 1.00 0.00 N ATOM 0 H GLN A 48 45.143 8.593 -0.855 1.00 0.00 H new ATOM 0 HA GLN A 48 45.874 10.544 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 48 43.154 10.783 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 48 44.139 12.225 -1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 48 43.783 12.753 -3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 48 44.415 11.208 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 48 42.346 9.596 -2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.861 9.814 -3.627 1.00 0.00 H new ATOM 724 N TYR A 49 45.573 10.673 0.545 1.00 0.00 N ATOM 725 CA TYR A 49 46.253 11.099 1.770 1.00 0.00 C ATOM 726 C TYR A 49 47.612 10.427 1.958 1.00 0.00 C ATOM 727 O TYR A 49 47.869 9.835 3.007 1.00 0.00 O ATOM 728 CB TYR A 49 45.377 10.806 2.988 1.00 0.00 C ATOM 729 CG TYR A 49 44.187 11.725 3.111 1.00 0.00 C ATOM 730 CD1 TYR A 49 43.104 11.601 2.252 1.00 0.00 C ATOM 731 CD2 TYR A 49 44.146 12.717 4.083 1.00 0.00 C ATOM 732 CE1 TYR A 49 42.015 12.441 2.355 1.00 0.00 C ATOM 733 CE2 TYR A 49 43.058 13.561 4.193 1.00 0.00 C ATOM 734 CZ TYR A 49 41.994 13.419 3.328 1.00 0.00 C ATOM 735 OH TYR A 49 40.910 14.258 3.434 1.00 0.00 O ATOM 0 H TYR A 49 44.687 10.192 0.702 1.00 0.00 H new ATOM 0 HA TYR A 49 46.425 12.171 1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 49 45.026 9.776 2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 49 45.984 10.888 3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 49 43.114 10.835 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 49 44.977 12.830 4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 49 41.182 12.334 1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 49 43.041 14.328 4.953 1.00 0.00 H new ATOM 0 HH TYR A 49 41.055 14.888 4.171 1.00 0.00 H new ATOM 745 N SER A 50 48.484 10.514 0.957 1.00 0.00 N ATOM 746 CA SER A 50 49.805 9.905 1.049 1.00 0.00 C ATOM 747 C SER A 50 50.827 10.901 1.588 1.00 0.00 C ATOM 748 O SER A 50 51.983 10.907 1.165 1.00 0.00 O ATOM 749 CB SER A 50 50.246 9.404 -0.327 1.00 0.00 C ATOM 750 OG SER A 50 49.197 9.521 -1.271 1.00 0.00 O ATOM 0 H SER A 50 48.300 10.998 0.078 1.00 0.00 H new ATOM 0 HA SER A 50 49.746 9.063 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 50 51.110 9.975 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 50 50.561 8.363 -0.255 1.00 0.00 H new ATOM 0 HG SER A 50 48.571 8.775 -1.158 1.00 0.00 H new ATOM 756 N LYS A 51 50.398 11.741 2.523 1.00 0.00 N ATOM 757 CA LYS A 51 51.283 12.737 3.115 1.00 0.00 C ATOM 758 C LYS A 51 50.592 13.478 4.255 1.00 0.00 C ATOM 759 O LYS A 51 50.650 14.704 4.337 1.00 0.00 O ATOM 760 CB LYS A 51 51.746 13.731 2.050 1.00 0.00 C ATOM 761 CG LYS A 51 53.146 13.456 1.531 1.00 0.00 C ATOM 762 CD LYS A 51 54.021 14.698 1.601 1.00 0.00 C ATOM 763 CE LYS A 51 55.443 14.404 1.151 1.00 0.00 C ATOM 764 NZ LYS A 51 55.542 14.272 -0.328 1.00 0.00 N ATOM 0 H LYS A 51 49.445 11.752 2.887 1.00 0.00 H new ATOM 0 HA LYS A 51 52.151 12.218 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 51 51.046 13.708 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 51 51.713 14.738 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 51 53.601 12.656 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 51 53.091 13.106 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 51 53.594 15.481 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 51 54.033 15.079 2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 51 56.103 15.203 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 51 55.790 13.484 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 56.527 14.072 -0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 54.932 13.493 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 55.236 15.159 -0.777 1.00 0.00 H new ATOM 778 N HIS A 52 49.943 12.723 5.137 1.00 0.00 N ATOM 779 CA HIS A 52 49.246 13.308 6.276 1.00 0.00 C ATOM 780 C HIS A 52 49.966 12.976 7.579 1.00 0.00 C ATOM 781 O HIS A 52 49.989 11.786 7.954 1.00 0.00 O ATOM 782 CB HIS A 52 47.804 12.805 6.335 1.00 0.00 C ATOM 783 CG HIS A 52 47.025 13.367 7.483 1.00 0.00 C ATOM 784 ND1 HIS A 52 46.542 14.655 7.525 1.00 0.00 N ATOM 785 CD2 HIS A 52 46.649 12.788 8.653 1.00 0.00 C ATOM 786 CE1 HIS A 52 45.904 14.818 8.692 1.00 0.00 C ATOM 787 NE2 HIS A 52 45.939 13.715 9.412 1.00 0.00 N ATOM 788 OXT HIS A 52 50.500 13.910 8.213 1.00 0.00 O ATOM 0 H HIS A 52 49.886 11.706 5.084 1.00 0.00 H new ATOM 0 HA HIS A 52 49.238 14.390 6.149 1.00 0.00 H new ATOM 0 HB2 HIS A 52 47.299 13.061 5.403 1.00 0.00 H new ATOM 0 HB3 HIS A 52 47.809 11.717 6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 52 46.866 11.772 8.947 1.00 0.00 H new ATOM 0 HE1 HIS A 52 45.424 15.734 9.002 1.00 0.00 H new ATOM 0 HE2 HIS A 52 45.530 13.570 10.335 1.00 0.00 H new TER 796 HIS A 52