USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=17 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: X 34 GLN :FLIP amide:sc= 0.359 F(o=-1.6!,f=0.79) USER MOD Set 1.2: X 38 TYR OH : rot -86:sc= 0.436 USER MOD Single : X 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 2 SER OG : rot 161:sc= 1.31 USER MOD Single : X 13 SER OG : rot -155:sc= 1.26 USER MOD Single : X 15 SER OG : rot 180:sc= 0 USER MOD Single : X 16 GLN : amide:sc= 0.238 K(o=0.24,f=-3.8!) USER MOD Single : X 17 MET CE :methyl -164:sc= -2.29 (180deg=-3.05!) USER MOD Single : X 19 SER OG : rot -91:sc= 1.25 USER MOD Single : X 20 MET CE :methyl 159:sc= -0.19 (180deg=-0.704) USER MOD Single : X 23 SER OG : rot 180:sc= 0 USER MOD Single : X 30 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : X 35 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : X 36 LYS NZ :NH3+ -159:sc= -0.133 (180deg=-0.64) USER MOD Single : X 37 ASN : amide:sc= -1.41 K(o=-1.4,f=-2!) USER MOD Single : X 46 THR OG1 : rot 101:sc= 2.02 USER MOD Single : X 48 GLN : amide:sc= -0.0757 X(o=-0.076,f=-0.03) USER MOD Single : X 49 TYR OH : rot 180:sc= 0 USER MOD Single : X 50 SER OG : rot 180:sc= 0.0109 USER MOD Single : X 51 LYS NZ :NH3+ 169:sc=-0.00512 (180deg=-0.126) USER MOD Single : X 52 HIS :FLIP no HD1:sc= 0.0777 F(o=-0.53,f=0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 19.096 2.759 0.585 1.00 0.00 N ATOM 2 CA GLY X 1 20.340 2.347 -0.112 1.00 0.00 C ATOM 3 C GLY X 1 21.356 3.467 -0.179 1.00 0.00 C ATOM 4 O GLY X 1 21.086 4.524 -0.749 1.00 0.00 O ATOM 0 H1 GLY X 1 18.430 1.961 0.607 1.00 0.00 H new ATOM 0 H2 GLY X 1 19.323 3.048 1.558 1.00 0.00 H new ATOM 0 H3 GLY X 1 18.663 3.558 0.079 1.00 0.00 H new ATOM 0 HA2 GLY X 1 20.777 1.492 0.404 1.00 0.00 H new ATOM 0 HA3 GLY X 1 20.097 2.019 -1.122 1.00 0.00 H new ATOM 10 N SER X 2 22.519 3.250 0.419 1.00 0.00 N ATOM 11 CA SER X 2 23.570 4.257 0.442 1.00 0.00 C ATOM 12 C SER X 2 24.525 4.079 -0.734 1.00 0.00 C ATOM 13 O SER X 2 24.911 2.952 -1.064 1.00 0.00 O ATOM 14 CB SER X 2 24.331 4.181 1.766 1.00 0.00 C ATOM 15 OG SER X 2 24.602 2.831 2.117 1.00 0.00 O ATOM 0 H SER X 2 22.759 2.381 0.897 1.00 0.00 H new ATOM 0 HA SER X 2 23.109 5.241 0.351 1.00 0.00 H new ATOM 0 HB2 SER X 2 25.266 4.735 1.685 1.00 0.00 H new ATOM 0 HB3 SER X 2 23.747 4.656 2.554 1.00 0.00 H new ATOM 0 HG SER X 2 25.325 2.804 2.778 1.00 0.00 H new ATOM 21 N PRO X 3 24.914 5.189 -1.388 1.00 0.00 N ATOM 22 CA PRO X 3 25.827 5.162 -2.538 1.00 0.00 C ATOM 23 C PRO X 3 27.186 4.572 -2.177 1.00 0.00 C ATOM 24 O PRO X 3 27.749 4.897 -1.133 1.00 0.00 O ATOM 25 CB PRO X 3 25.980 6.638 -2.924 1.00 0.00 C ATOM 26 CG PRO X 3 24.813 7.328 -2.306 1.00 0.00 C ATOM 27 CD PRO X 3 24.487 6.560 -1.059 1.00 0.00 C ATOM 0 HA PRO X 3 25.440 4.539 -3.344 1.00 0.00 H new ATOM 0 HB2 PRO X 3 26.920 7.046 -2.553 1.00 0.00 H new ATOM 0 HB3 PRO X 3 25.983 6.763 -4.007 1.00 0.00 H new ATOM 0 HG2 PRO X 3 25.052 8.366 -2.073 1.00 0.00 H new ATOM 0 HG3 PRO X 3 23.963 7.342 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO X 3 25.021 6.952 -0.193 1.00 0.00 H new ATOM 0 HD3 PRO X 3 23.424 6.605 -0.824 1.00 0.00 H new ATOM 35 N PRO X 4 27.713 3.663 -3.014 1.00 0.00 N ATOM 36 CA PRO X 4 28.988 2.982 -2.752 1.00 0.00 C ATOM 37 C PRO X 4 30.210 3.880 -2.959 1.00 0.00 C ATOM 38 O PRO X 4 31.326 3.389 -3.135 1.00 0.00 O ATOM 39 CB PRO X 4 29.002 1.822 -3.761 1.00 0.00 C ATOM 40 CG PRO X 4 27.630 1.785 -4.358 1.00 0.00 C ATOM 41 CD PRO X 4 27.090 3.181 -4.251 1.00 0.00 C ATOM 0 HA PRO X 4 29.053 2.665 -1.711 1.00 0.00 H new ATOM 0 HB2 PRO X 4 29.759 1.981 -4.529 1.00 0.00 H new ATOM 0 HB3 PRO X 4 29.240 0.879 -3.269 1.00 0.00 H new ATOM 0 HG2 PRO X 4 27.666 1.460 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO X 4 26.993 1.079 -3.826 1.00 0.00 H new ATOM 0 HD2 PRO X 4 27.367 3.791 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO X 4 26.002 3.193 -4.190 1.00 0.00 H new ATOM 49 N GLU X 5 30.008 5.186 -2.842 1.00 0.00 N ATOM 50 CA GLU X 5 31.102 6.153 -2.913 1.00 0.00 C ATOM 51 C GLU X 5 30.879 7.264 -1.899 1.00 0.00 C ATOM 52 O GLU X 5 31.516 8.315 -1.954 1.00 0.00 O ATOM 53 CB GLU X 5 31.219 6.764 -4.313 1.00 0.00 C ATOM 54 CG GLU X 5 31.474 5.756 -5.422 1.00 0.00 C ATOM 55 CD GLU X 5 31.728 6.421 -6.751 1.00 0.00 C ATOM 56 OE1 GLU X 5 31.778 7.667 -6.789 1.00 0.00 O ATOM 57 OE2 GLU X 5 31.884 5.700 -7.754 1.00 0.00 O ATOM 0 H GLU X 5 29.090 5.605 -2.696 1.00 0.00 H new ATOM 0 HA GLU X 5 32.028 5.624 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU X 5 30.300 7.306 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU X 5 32.028 7.494 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU X 5 32.332 5.137 -5.158 1.00 0.00 H new ATOM 0 HG3 GLU X 5 30.616 5.090 -5.509 1.00 0.00 H new ATOM 64 N ALA X 6 29.950 7.022 -0.989 1.00 0.00 N ATOM 65 CA ALA X 6 29.593 7.990 0.039 1.00 0.00 C ATOM 66 C ALA X 6 28.845 7.289 1.154 1.00 0.00 C ATOM 67 O ALA X 6 28.162 7.914 1.965 1.00 0.00 O ATOM 68 CB ALA X 6 28.750 9.110 -0.543 1.00 0.00 C ATOM 0 H ALA X 6 29.422 6.151 -0.941 1.00 0.00 H new ATOM 0 HA ALA X 6 30.505 8.432 0.440 1.00 0.00 H new ATOM 0 HB1 ALA X 6 28.496 9.820 0.244 1.00 0.00 H new ATOM 0 HB2 ALA X 6 29.313 9.620 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA X 6 27.835 8.695 -0.966 1.00 0.00 H new ATOM 74 N ASP X 7 29.057 5.989 1.218 1.00 0.00 N ATOM 75 CA ASP X 7 28.502 5.155 2.264 1.00 0.00 C ATOM 76 C ASP X 7 29.302 5.388 3.528 1.00 0.00 C ATOM 77 O ASP X 7 30.497 5.637 3.436 1.00 0.00 O ATOM 78 CB ASP X 7 28.598 3.684 1.825 1.00 0.00 C ATOM 79 CG ASP X 7 28.181 2.694 2.889 1.00 0.00 C ATOM 80 OD1 ASP X 7 26.982 2.637 3.219 1.00 0.00 O ATOM 81 OD2 ASP X 7 29.058 1.972 3.398 1.00 0.00 O ATOM 0 H ASP X 7 29.623 5.479 0.540 1.00 0.00 H new ATOM 0 HA ASP X 7 27.456 5.398 2.449 1.00 0.00 H new ATOM 0 HB2 ASP X 7 27.974 3.538 0.943 1.00 0.00 H new ATOM 0 HB3 ASP X 7 29.625 3.471 1.528 1.00 0.00 H new ATOM 86 N PRO X 8 28.672 5.332 4.718 1.00 0.00 N ATOM 87 CA PRO X 8 29.360 5.543 6.001 1.00 0.00 C ATOM 88 C PRO X 8 30.718 4.834 6.076 1.00 0.00 C ATOM 89 O PRO X 8 31.608 5.249 6.819 1.00 0.00 O ATOM 90 CB PRO X 8 28.391 4.927 7.010 1.00 0.00 C ATOM 91 CG PRO X 8 27.041 5.098 6.401 1.00 0.00 C ATOM 92 CD PRO X 8 27.232 5.082 4.904 1.00 0.00 C ATOM 0 HA PRO X 8 29.586 6.596 6.171 1.00 0.00 H new ATOM 0 HB2 PRO X 8 28.616 3.874 7.182 1.00 0.00 H new ATOM 0 HB3 PRO X 8 28.455 5.428 7.976 1.00 0.00 H new ATOM 0 HG2 PRO X 8 26.372 4.297 6.714 1.00 0.00 H new ATOM 0 HG3 PRO X 8 26.588 6.036 6.723 1.00 0.00 H new ATOM 0 HD2 PRO X 8 26.936 4.125 4.475 1.00 0.00 H new ATOM 0 HD3 PRO X 8 26.629 5.849 4.418 1.00 0.00 H new ATOM 100 N ARG X 9 30.856 3.765 5.296 1.00 0.00 N ATOM 101 CA ARG X 9 32.077 2.977 5.240 1.00 0.00 C ATOM 102 C ARG X 9 33.019 3.431 4.117 1.00 0.00 C ATOM 103 O ARG X 9 34.232 3.305 4.236 1.00 0.00 O ATOM 104 CB ARG X 9 31.708 1.523 4.993 1.00 0.00 C ATOM 105 CG ARG X 9 30.887 0.882 6.098 1.00 0.00 C ATOM 106 CD ARG X 9 31.733 0.552 7.319 1.00 0.00 C ATOM 107 NE ARG X 9 31.041 -0.369 8.220 1.00 0.00 N ATOM 108 CZ ARG X 9 29.994 -0.030 8.971 1.00 0.00 C ATOM 109 NH1 ARG X 9 29.612 1.240 9.050 1.00 0.00 N ATOM 110 NH2 ARG X 9 29.366 -0.960 9.677 1.00 0.00 N ATOM 0 H ARG X 9 30.117 3.422 4.682 1.00 0.00 H new ATOM 0 HA ARG X 9 32.597 3.109 6.189 1.00 0.00 H new ATOM 0 HB2 ARG X 9 31.150 1.457 4.059 1.00 0.00 H new ATOM 0 HB3 ARG X 9 32.624 0.947 4.858 1.00 0.00 H new ATOM 0 HG2 ARG X 9 30.080 1.555 6.387 1.00 0.00 H new ATOM 0 HG3 ARG X 9 30.422 -0.029 5.722 1.00 0.00 H new ATOM 0 HD2 ARG X 9 32.677 0.110 7.000 1.00 0.00 H new ATOM 0 HD3 ARG X 9 31.976 1.471 7.853 1.00 0.00 H new ATOM 0 HE ARG X 9 31.381 -1.329 8.277 1.00 0.00 H new ATOM 0 HH11 ARG X 9 30.121 1.959 8.535 1.00 0.00 H new ATOM 0 HH12 ARG X 9 28.810 1.496 9.626 1.00 0.00 H new ATOM 0 HH21 ARG X 9 29.685 -1.928 9.643 1.00 0.00 H new ATOM 0 HH22 ARG X 9 28.564 -0.707 10.254 1.00 0.00 H new ATOM 124 N LEU X 10 32.454 3.783 2.966 1.00 0.00 N ATOM 125 CA LEU X 10 33.235 4.041 1.770 1.00 0.00 C ATOM 126 C LEU X 10 33.526 5.522 1.600 1.00 0.00 C ATOM 127 O LEU X 10 34.528 5.894 1.002 1.00 0.00 O ATOM 128 CB LEU X 10 32.498 3.487 0.550 1.00 0.00 C ATOM 129 CG LEU X 10 32.335 1.963 0.547 1.00 0.00 C ATOM 130 CD1 LEU X 10 31.363 1.522 -0.531 1.00 0.00 C ATOM 131 CD2 LEU X 10 33.680 1.287 0.342 1.00 0.00 C ATOM 0 H LEU X 10 31.448 3.896 2.841 1.00 0.00 H new ATOM 0 HA LEU X 10 34.196 3.536 1.869 1.00 0.00 H new ATOM 0 HB2 LEU X 10 31.511 3.946 0.498 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.036 3.784 -0.350 1.00 0.00 H new ATOM 0 HG LEU X 10 31.932 1.666 1.515 1.00 0.00 H new ATOM 0 HD11 LEU X 10 31.266 0.437 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU X 10 30.389 1.977 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU X 10 31.735 1.835 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU X 10 33.547 0.205 0.342 1.00 0.00 H new ATOM 0 HD22 LEU X 10 34.103 1.600 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU X 10 34.356 1.570 1.149 1.00 0.00 H new ATOM 143 N ILE X 11 32.747 6.361 2.262 1.00 0.00 N ATOM 144 CA ILE X 11 33.054 7.777 2.309 1.00 0.00 C ATOM 145 C ILE X 11 34.351 7.960 3.095 1.00 0.00 C ATOM 146 O ILE X 11 35.131 8.876 2.843 1.00 0.00 O ATOM 147 CB ILE X 11 31.882 8.590 2.940 1.00 0.00 C ATOM 148 CG1 ILE X 11 31.986 10.089 2.612 1.00 0.00 C ATOM 149 CG2 ILE X 11 31.809 8.380 4.449 1.00 0.00 C ATOM 150 CD1 ILE X 11 32.912 10.868 3.524 1.00 0.00 C ATOM 0 H ILE X 11 31.905 6.088 2.769 1.00 0.00 H new ATOM 0 HA ILE X 11 33.184 8.160 1.297 1.00 0.00 H new ATOM 0 HB ILE X 11 30.961 8.213 2.496 1.00 0.00 H new ATOM 0 HG12 ILE X 11 32.331 10.200 1.584 1.00 0.00 H new ATOM 0 HG13 ILE X 11 30.990 10.529 2.664 1.00 0.00 H new ATOM 0 HG21 ILE X 11 30.982 8.960 4.858 1.00 0.00 H new ATOM 0 HG22 ILE X 11 31.651 7.323 4.662 1.00 0.00 H new ATOM 0 HG23 ILE X 11 32.742 8.707 4.907 1.00 0.00 H new ATOM 0 HD11 ILE X 11 32.925 11.915 3.221 1.00 0.00 H new ATOM 0 HD12 ILE X 11 32.558 10.792 4.552 1.00 0.00 H new ATOM 0 HD13 ILE X 11 33.920 10.458 3.456 1.00 0.00 H new ATOM 162 N GLU X 12 34.630 6.988 3.959 1.00 0.00 N ATOM 163 CA GLU X 12 35.891 6.947 4.681 1.00 0.00 C ATOM 164 C GLU X 12 36.913 6.042 3.982 1.00 0.00 C ATOM 165 O GLU X 12 38.033 6.462 3.717 1.00 0.00 O ATOM 166 CB GLU X 12 35.672 6.469 6.121 1.00 0.00 C ATOM 167 CG GLU X 12 34.622 7.265 6.879 1.00 0.00 C ATOM 168 CD GLU X 12 34.611 6.935 8.351 1.00 0.00 C ATOM 169 OE1 GLU X 12 34.499 5.744 8.691 1.00 0.00 O ATOM 170 OE2 GLU X 12 34.731 7.865 9.170 1.00 0.00 O ATOM 0 H GLU X 12 33.996 6.218 4.174 1.00 0.00 H new ATOM 0 HA GLU X 12 36.290 7.961 4.696 1.00 0.00 H new ATOM 0 HB2 GLU X 12 35.377 5.420 6.105 1.00 0.00 H new ATOM 0 HB3 GLU X 12 36.617 6.526 6.661 1.00 0.00 H new ATOM 0 HG2 GLU X 12 34.812 8.330 6.748 1.00 0.00 H new ATOM 0 HG3 GLU X 12 33.638 7.062 6.455 1.00 0.00 H new ATOM 177 N SER X 13 36.588 4.754 3.876 1.00 0.00 N ATOM 178 CA SER X 13 37.563 3.750 3.440 1.00 0.00 C ATOM 179 C SER X 13 37.753 3.679 1.922 1.00 0.00 C ATOM 180 O SER X 13 38.795 3.224 1.458 1.00 0.00 O ATOM 181 CB SER X 13 37.154 2.370 3.956 1.00 0.00 C ATOM 182 OG SER X 13 37.014 2.370 5.368 1.00 0.00 O ATOM 0 H SER X 13 35.662 4.381 4.085 1.00 0.00 H new ATOM 0 HA SER X 13 38.519 4.062 3.861 1.00 0.00 H new ATOM 0 HB2 SER X 13 36.213 2.071 3.495 1.00 0.00 H new ATOM 0 HB3 SER X 13 37.901 1.633 3.662 1.00 0.00 H new ATOM 0 HG SER X 13 37.141 1.460 5.709 1.00 0.00 H new ATOM 188 N LEU X 14 36.791 4.155 1.142 1.00 0.00 N ATOM 189 CA LEU X 14 36.947 4.153 -0.304 1.00 0.00 C ATOM 190 C LEU X 14 37.522 5.480 -0.718 1.00 0.00 C ATOM 191 O LEU X 14 38.432 5.565 -1.541 1.00 0.00 O ATOM 192 CB LEU X 14 35.598 3.935 -0.996 1.00 0.00 C ATOM 193 CG LEU X 14 35.635 3.906 -2.522 1.00 0.00 C ATOM 194 CD1 LEU X 14 35.958 2.512 -3.023 1.00 0.00 C ATOM 195 CD2 LEU X 14 34.314 4.387 -3.094 1.00 0.00 C ATOM 0 H LEU X 14 35.909 4.541 1.480 1.00 0.00 H new ATOM 0 HA LEU X 14 37.611 3.340 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU X 14 35.177 2.994 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU X 14 34.917 4.726 -0.682 1.00 0.00 H new ATOM 0 HG LEU X 14 36.422 4.580 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU X 14 35.980 2.513 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU X 14 36.932 2.205 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU X 14 35.195 1.815 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU X 14 34.358 4.360 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU X 14 33.510 3.739 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU X 14 34.125 5.408 -2.764 1.00 0.00 H new ATOM 207 N SER X 15 36.939 6.519 -0.149 1.00 0.00 N ATOM 208 CA SER X 15 37.329 7.876 -0.457 1.00 0.00 C ATOM 209 C SER X 15 38.741 8.183 0.048 1.00 0.00 C ATOM 210 O SER X 15 39.434 9.018 -0.532 1.00 0.00 O ATOM 211 CB SER X 15 36.317 8.864 0.123 1.00 0.00 C ATOM 212 OG SER X 15 36.560 10.186 -0.331 1.00 0.00 O ATOM 0 H SER X 15 36.186 6.444 0.535 1.00 0.00 H new ATOM 0 HA SER X 15 37.340 7.984 -1.542 1.00 0.00 H new ATOM 0 HB2 SER X 15 35.309 8.561 -0.159 1.00 0.00 H new ATOM 0 HB3 SER X 15 36.365 8.838 1.212 1.00 0.00 H new ATOM 0 HG SER X 15 35.895 10.792 0.057 1.00 0.00 H new ATOM 218 N GLN X 16 39.179 7.470 1.094 1.00 0.00 N ATOM 219 CA GLN X 16 40.533 7.636 1.632 1.00 0.00 C ATOM 220 C GLN X 16 41.574 7.509 0.532 1.00 0.00 C ATOM 221 O GLN X 16 42.478 8.334 0.416 1.00 0.00 O ATOM 222 CB GLN X 16 40.804 6.595 2.732 1.00 0.00 C ATOM 223 CG GLN X 16 42.255 6.524 3.211 1.00 0.00 C ATOM 224 CD GLN X 16 43.081 5.510 2.433 1.00 0.00 C ATOM 225 OE1 GLN X 16 42.767 4.325 2.418 1.00 0.00 O ATOM 226 NE2 GLN X 16 44.142 5.971 1.777 1.00 0.00 N ATOM 0 H GLN X 16 38.616 6.774 1.583 1.00 0.00 H new ATOM 0 HA GLN X 16 40.604 8.635 2.062 1.00 0.00 H new ATOM 0 HB2 GLN X 16 40.165 6.817 3.587 1.00 0.00 H new ATOM 0 HB3 GLN X 16 40.511 5.613 2.362 1.00 0.00 H new ATOM 0 HG2 GLN X 16 42.713 7.509 3.117 1.00 0.00 H new ATOM 0 HG3 GLN X 16 42.272 6.265 4.270 1.00 0.00 H new ATOM 0 HE21 GLN X 16 44.372 6.964 1.813 1.00 0.00 H new ATOM 0 HE22 GLN X 16 44.726 5.331 1.238 1.00 0.00 H new ATOM 235 N MET X 17 41.493 6.427 -0.221 1.00 0.00 N ATOM 236 CA MET X 17 42.487 6.153 -1.238 1.00 0.00 C ATOM 237 C MET X 17 42.124 6.777 -2.576 1.00 0.00 C ATOM 238 O MET X 17 43.012 7.075 -3.375 1.00 0.00 O ATOM 239 CB MET X 17 42.710 4.646 -1.378 1.00 0.00 C ATOM 240 CG MET X 17 41.447 3.811 -1.254 1.00 0.00 C ATOM 241 SD MET X 17 41.789 2.050 -1.385 1.00 0.00 S ATOM 242 CE MET X 17 42.336 1.944 -3.085 1.00 0.00 C ATOM 0 H MET X 17 40.753 5.729 -0.147 1.00 0.00 H new ATOM 0 HA MET X 17 43.420 6.615 -0.915 1.00 0.00 H new ATOM 0 HB2 MET X 17 43.169 4.447 -2.347 1.00 0.00 H new ATOM 0 HB3 MET X 17 43.420 4.324 -0.617 1.00 0.00 H new ATOM 0 HG2 MET X 17 40.968 4.017 -0.297 1.00 0.00 H new ATOM 0 HG3 MET X 17 40.742 4.102 -2.032 1.00 0.00 H new ATOM 0 HE1 MET X 17 42.314 0.904 -3.410 1.00 0.00 H new ATOM 0 HE2 MET X 17 41.674 2.536 -3.718 1.00 0.00 H new ATOM 0 HE3 MET X 17 43.353 2.328 -3.165 1.00 0.00 H new ATOM 252 N LEU X 18 40.832 6.982 -2.838 1.00 0.00 N ATOM 253 CA LEU X 18 40.430 7.569 -4.116 1.00 0.00 C ATOM 254 C LEU X 18 40.776 9.056 -4.201 1.00 0.00 C ATOM 255 O LEU X 18 40.838 9.618 -5.294 1.00 0.00 O ATOM 256 CB LEU X 18 38.939 7.351 -4.379 1.00 0.00 C ATOM 257 CG LEU X 18 38.547 5.906 -4.700 1.00 0.00 C ATOM 258 CD1 LEU X 18 37.090 5.823 -5.118 1.00 0.00 C ATOM 259 CD2 LEU X 18 39.437 5.336 -5.795 1.00 0.00 C ATOM 0 H LEU X 18 40.066 6.758 -2.203 1.00 0.00 H new ATOM 0 HA LEU X 18 40.998 7.055 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.379 7.678 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU X 18 38.634 7.988 -5.209 1.00 0.00 H new ATOM 0 HG LEU X 18 38.684 5.313 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU X 18 36.834 4.787 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU X 18 36.458 6.187 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU X 18 36.931 6.435 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU X 18 39.141 4.309 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU X 18 39.333 5.937 -6.698 1.00 0.00 H new ATOM 0 HD23 LEU X 18 40.476 5.353 -5.465 1.00 0.00 H new ATOM 271 N SER X 19 41.030 9.685 -3.059 1.00 0.00 N ATOM 272 CA SER X 19 41.399 11.096 -3.043 1.00 0.00 C ATOM 273 C SER X 19 42.917 11.275 -3.033 1.00 0.00 C ATOM 274 O SER X 19 43.426 12.335 -3.398 1.00 0.00 O ATOM 275 CB SER X 19 40.777 11.794 -1.833 1.00 0.00 C ATOM 276 OG SER X 19 41.082 11.103 -0.635 1.00 0.00 O ATOM 0 H SER X 19 40.988 9.245 -2.140 1.00 0.00 H new ATOM 0 HA SER X 19 41.013 11.552 -3.955 1.00 0.00 H new ATOM 0 HB2 SER X 19 41.146 12.818 -1.770 1.00 0.00 H new ATOM 0 HB3 SER X 19 39.696 11.852 -1.958 1.00 0.00 H new ATOM 0 HG SER X 19 40.382 10.442 -0.451 1.00 0.00 H new ATOM 282 N MET X 20 43.638 10.243 -2.599 1.00 0.00 N ATOM 283 CA MET X 20 45.096 10.308 -2.528 1.00 0.00 C ATOM 284 C MET X 20 45.733 9.904 -3.850 1.00 0.00 C ATOM 285 O MET X 20 46.840 10.337 -4.173 1.00 0.00 O ATOM 286 CB MET X 20 45.631 9.400 -1.419 1.00 0.00 C ATOM 287 CG MET X 20 45.205 9.821 -0.024 1.00 0.00 C ATOM 288 SD MET X 20 45.821 8.710 1.256 1.00 0.00 S ATOM 289 CE MET X 20 47.588 8.847 1.004 1.00 0.00 C ATOM 0 H MET X 20 43.239 9.356 -2.293 1.00 0.00 H new ATOM 0 HA MET X 20 45.359 11.343 -2.308 1.00 0.00 H new ATOM 0 HB2 MET X 20 45.290 8.381 -1.601 1.00 0.00 H new ATOM 0 HB3 MET X 20 46.720 9.386 -1.468 1.00 0.00 H new ATOM 0 HG2 MET X 20 45.566 10.831 0.173 1.00 0.00 H new ATOM 0 HG3 MET X 20 44.117 9.856 0.024 1.00 0.00 H new ATOM 0 HE1 MET X 20 48.110 8.539 1.910 1.00 0.00 H new ATOM 0 HE2 MET X 20 47.888 8.204 0.177 1.00 0.00 H new ATOM 0 HE3 MET X 20 47.843 9.881 0.772 1.00 0.00 H new ATOM 299 N GLY X 21 45.077 9.003 -4.562 1.00 0.00 N ATOM 300 CA GLY X 21 45.643 8.476 -5.783 1.00 0.00 C ATOM 301 C GLY X 21 46.091 7.043 -5.612 1.00 0.00 C ATOM 302 O GLY X 21 47.047 6.596 -6.253 1.00 0.00 O ATOM 0 H GLY X 21 44.161 8.627 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY X 21 44.905 8.535 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY X 21 46.491 9.090 -6.087 1.00 0.00 H new ATOM 306 N PHE X 22 45.339 6.295 -4.819 1.00 0.00 N ATOM 307 CA PHE X 22 45.581 4.883 -4.636 1.00 0.00 C ATOM 308 C PHE X 22 44.421 4.136 -5.245 1.00 0.00 C ATOM 309 O PHE X 22 43.306 4.654 -5.293 1.00 0.00 O ATOM 310 CB PHE X 22 45.725 4.532 -3.151 1.00 0.00 C ATOM 311 CG PHE X 22 47.017 4.985 -2.524 1.00 0.00 C ATOM 312 CD1 PHE X 22 48.028 5.543 -3.292 1.00 0.00 C ATOM 313 CD2 PHE X 22 47.222 4.840 -1.164 1.00 0.00 C ATOM 314 CE1 PHE X 22 49.214 5.946 -2.713 1.00 0.00 C ATOM 315 CE2 PHE X 22 48.407 5.238 -0.581 1.00 0.00 C ATOM 316 CZ PHE X 22 49.406 5.792 -1.355 1.00 0.00 C ATOM 0 H PHE X 22 44.546 6.655 -4.287 1.00 0.00 H new ATOM 0 HA PHE X 22 46.515 4.602 -5.122 1.00 0.00 H new ATOM 0 HB2 PHE X 22 44.894 4.977 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE X 22 45.640 3.451 -3.036 1.00 0.00 H new ATOM 0 HD1 PHE X 22 47.885 5.664 -4.356 1.00 0.00 H new ATOM 0 HD2 PHE X 22 46.444 4.410 -0.551 1.00 0.00 H new ATOM 0 HE1 PHE X 22 49.992 6.382 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE X 22 48.553 5.116 0.482 1.00 0.00 H new ATOM 0 HZ PHE X 22 50.334 6.104 -0.900 1.00 0.00 H new ATOM 326 N SER X 23 44.683 2.976 -5.790 1.00 0.00 N ATOM 327 CA SER X 23 43.644 2.258 -6.488 1.00 0.00 C ATOM 328 C SER X 23 43.674 0.783 -6.129 1.00 0.00 C ATOM 329 O SER X 23 44.535 0.342 -5.367 1.00 0.00 O ATOM 330 CB SER X 23 43.812 2.434 -7.997 1.00 0.00 C ATOM 331 OG SER X 23 43.709 3.799 -8.368 1.00 0.00 O ATOM 0 H SER X 23 45.591 2.513 -5.766 1.00 0.00 H new ATOM 0 HA SER X 23 42.679 2.665 -6.185 1.00 0.00 H new ATOM 0 HB2 SER X 23 44.781 2.042 -8.306 1.00 0.00 H new ATOM 0 HB3 SER X 23 43.052 1.854 -8.520 1.00 0.00 H new ATOM 0 HG SER X 23 43.822 3.884 -9.338 1.00 0.00 H new ATOM 337 N ASP X 24 42.795 0.007 -6.748 1.00 0.00 N ATOM 338 CA ASP X 24 42.809 -1.430 -6.553 1.00 0.00 C ATOM 339 C ASP X 24 43.900 -2.063 -7.404 1.00 0.00 C ATOM 340 O ASP X 24 43.964 -1.857 -8.614 1.00 0.00 O ATOM 341 CB ASP X 24 41.434 -2.051 -6.853 1.00 0.00 C ATOM 342 CG ASP X 24 40.831 -1.607 -8.167 1.00 0.00 C ATOM 343 OD1 ASP X 24 41.336 -2.009 -9.230 1.00 0.00 O ATOM 344 OD2 ASP X 24 39.839 -0.856 -8.136 1.00 0.00 O ATOM 0 H ASP X 24 42.072 0.347 -7.382 1.00 0.00 H new ATOM 0 HA ASP X 24 43.029 -1.632 -5.505 1.00 0.00 H new ATOM 0 HB2 ASP X 24 41.531 -3.137 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP X 24 40.748 -1.796 -6.046 1.00 0.00 H new ATOM 349 N GLU X 25 44.796 -2.782 -6.746 1.00 0.00 N ATOM 350 CA GLU X 25 45.933 -3.395 -7.424 1.00 0.00 C ATOM 351 C GLU X 25 45.459 -4.516 -8.341 1.00 0.00 C ATOM 352 O GLU X 25 45.991 -4.713 -9.434 1.00 0.00 O ATOM 353 CB GLU X 25 46.936 -3.930 -6.392 1.00 0.00 C ATOM 354 CG GLU X 25 48.286 -4.319 -6.973 1.00 0.00 C ATOM 355 CD GLU X 25 49.027 -3.142 -7.556 1.00 0.00 C ATOM 356 OE1 GLU X 25 49.207 -2.140 -6.838 1.00 0.00 O ATOM 357 OE2 GLU X 25 49.439 -3.222 -8.726 1.00 0.00 O ATOM 0 H GLU X 25 44.760 -2.957 -5.742 1.00 0.00 H new ATOM 0 HA GLU X 25 46.430 -2.640 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU X 25 47.089 -3.171 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU X 25 46.502 -4.800 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU X 25 48.895 -4.777 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU X 25 48.141 -5.072 -7.747 1.00 0.00 H new ATOM 364 N GLY X 26 44.428 -5.213 -7.901 1.00 0.00 N ATOM 365 CA GLY X 26 43.851 -6.283 -8.696 1.00 0.00 C ATOM 366 C GLY X 26 42.337 -6.311 -8.632 1.00 0.00 C ATOM 367 O GLY X 26 41.717 -7.334 -8.917 1.00 0.00 O ATOM 0 H GLY X 26 43.974 -5.059 -7.001 1.00 0.00 H new ATOM 0 HA2 GLY X 26 44.164 -6.168 -9.734 1.00 0.00 H new ATOM 0 HA3 GLY X 26 44.243 -7.239 -8.349 1.00 0.00 H new ATOM 371 N GLY X 27 41.736 -5.189 -8.251 1.00 0.00 N ATOM 372 CA GLY X 27 40.289 -5.124 -8.155 1.00 0.00 C ATOM 373 C GLY X 27 39.789 -5.483 -6.775 1.00 0.00 C ATOM 374 O GLY X 27 38.652 -5.909 -6.611 1.00 0.00 O ATOM 0 H GLY X 27 42.223 -4.326 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY X 27 39.955 -4.118 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY X 27 39.848 -5.801 -8.886 1.00 0.00 H new ATOM 378 N TRP X 28 40.651 -5.333 -5.781 1.00 0.00 N ATOM 379 CA TRP X 28 40.306 -5.676 -4.410 1.00 0.00 C ATOM 380 C TRP X 28 39.698 -4.488 -3.679 1.00 0.00 C ATOM 381 O TRP X 28 39.142 -4.644 -2.608 1.00 0.00 O ATOM 382 CB TRP X 28 41.536 -6.172 -3.644 1.00 0.00 C ATOM 383 CG TRP X 28 42.690 -5.222 -3.713 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.793 -5.332 -4.504 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.838 -4.000 -2.982 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.618 -4.255 -4.305 1.00 0.00 N ATOM 387 CE2 TRP X 28 44.049 -3.421 -3.381 1.00 0.00 C ATOM 388 CE3 TRP X 28 42.060 -3.341 -2.026 1.00 0.00 C ATOM 389 CZ2 TRP X 28 44.498 -2.212 -2.866 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.504 -2.144 -1.513 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.713 -1.590 -1.935 1.00 0.00 C ATOM 0 H TRP X 28 41.599 -4.974 -5.899 1.00 0.00 H new ATOM 0 HA TRP X 28 39.566 -6.476 -4.454 1.00 0.00 H new ATOM 0 HB2 TRP X 28 41.267 -6.333 -2.600 1.00 0.00 H new ATOM 0 HB3 TRP X 28 41.843 -7.138 -4.046 1.00 0.00 H new ATOM 0 HD1 TRP X 28 43.989 -6.146 -5.186 1.00 0.00 H new ATOM 0 HE1 TRP X 28 45.512 -4.100 -4.771 1.00 0.00 H new ATOM 0 HE3 TRP X 28 41.124 -3.765 -1.695 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 45.433 -1.779 -3.189 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 41.909 -1.627 -0.775 1.00 0.00 H new ATOM 0 HH2 TRP X 28 44.036 -0.648 -1.517 1.00 0.00 H new ATOM 402 N LEU X 29 39.816 -3.291 -4.237 1.00 0.00 N ATOM 403 CA LEU X 29 39.267 -2.110 -3.575 1.00 0.00 C ATOM 404 C LEU X 29 37.748 -2.238 -3.458 1.00 0.00 C ATOM 405 O LEU X 29 37.136 -1.716 -2.529 1.00 0.00 O ATOM 406 CB LEU X 29 39.686 -0.826 -4.313 1.00 0.00 C ATOM 407 CG LEU X 29 38.803 0.403 -4.077 1.00 0.00 C ATOM 408 CD1 LEU X 29 38.945 0.898 -2.648 1.00 0.00 C ATOM 409 CD2 LEU X 29 39.150 1.506 -5.061 1.00 0.00 C ATOM 0 H LEU X 29 40.277 -3.110 -5.129 1.00 0.00 H new ATOM 0 HA LEU X 29 39.674 -2.042 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.706 -0.578 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU X 29 39.705 -1.035 -5.383 1.00 0.00 H new ATOM 0 HG LEU X 29 37.764 0.114 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU X 29 38.310 1.771 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU X 29 38.644 0.110 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU X 29 39.984 1.169 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU X 29 38.512 2.371 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU X 29 40.194 1.792 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU X 29 38.993 1.148 -6.079 1.00 0.00 H new ATOM 421 N THR X 30 37.179 -3.086 -4.299 1.00 0.00 N ATOM 422 CA THR X 30 35.780 -3.448 -4.178 1.00 0.00 C ATOM 423 C THR X 30 35.605 -4.730 -3.343 1.00 0.00 C ATOM 424 O THR X 30 34.527 -4.979 -2.807 1.00 0.00 O ATOM 425 CB THR X 30 35.156 -3.613 -5.576 1.00 0.00 C ATOM 426 OG1 THR X 30 34.066 -4.510 -5.542 1.00 0.00 O ATOM 427 CG2 THR X 30 36.120 -4.114 -6.626 1.00 0.00 C ATOM 0 H THR X 30 37.667 -3.536 -5.073 1.00 0.00 H new ATOM 0 HA THR X 30 35.261 -2.645 -3.655 1.00 0.00 H new ATOM 0 HB THR X 30 34.839 -2.608 -5.853 1.00 0.00 H new ATOM 0 HG1 THR X 30 33.686 -4.597 -6.441 1.00 0.00 H new ATOM 0 HG21 THR X 30 35.603 -4.203 -7.582 1.00 0.00 H new ATOM 0 HG22 THR X 30 36.947 -3.411 -6.725 1.00 0.00 H new ATOM 0 HG23 THR X 30 36.506 -5.090 -6.330 1.00 0.00 H new ATOM 435 N ARG X 31 36.632 -5.582 -3.310 1.00 0.00 N ATOM 436 CA ARG X 31 36.527 -6.877 -2.624 1.00 0.00 C ATOM 437 C ARG X 31 37.080 -6.821 -1.196 1.00 0.00 C ATOM 438 O ARG X 31 36.351 -7.053 -0.231 1.00 0.00 O ATOM 439 CB ARG X 31 37.268 -7.979 -3.401 1.00 0.00 C ATOM 440 CG ARG X 31 37.136 -7.909 -4.920 1.00 0.00 C ATOM 441 CD ARG X 31 35.706 -7.657 -5.374 1.00 0.00 C ATOM 442 NE ARG X 31 34.755 -8.602 -4.795 1.00 0.00 N ATOM 443 CZ ARG X 31 33.437 -8.462 -4.897 1.00 0.00 C ATOM 444 NH1 ARG X 31 32.937 -7.432 -5.569 1.00 0.00 N ATOM 445 NH2 ARG X 31 32.625 -9.347 -4.337 1.00 0.00 N ATOM 0 H ARG X 31 37.538 -5.404 -3.744 1.00 0.00 H new ATOM 0 HA ARG X 31 35.464 -7.112 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG X 31 38.326 -7.934 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG X 31 36.899 -8.948 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG X 31 37.779 -7.115 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG X 31 37.492 -8.843 -5.355 1.00 0.00 H new ATOM 0 HD2 ARG X 31 35.416 -6.643 -5.100 1.00 0.00 H new ATOM 0 HD3 ARG X 31 35.658 -7.720 -6.461 1.00 0.00 H new ATOM 0 HE ARG X 31 35.120 -9.408 -4.288 1.00 0.00 H new ATOM 0 HH11 ARG X 31 33.563 -6.754 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG X 31 31.927 -7.319 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG X 31 33.011 -10.140 -3.825 1.00 0.00 H new ATOM 0 HH22 ARG X 31 31.614 -9.235 -4.418 1.00 0.00 H new ATOM 459 N LEU X 32 38.394 -6.594 -1.107 1.00 0.00 N ATOM 460 CA LEU X 32 39.161 -6.577 0.148 1.00 0.00 C ATOM 461 C LEU X 32 38.395 -5.915 1.294 1.00 0.00 C ATOM 462 O LEU X 32 38.262 -6.493 2.374 1.00 0.00 O ATOM 463 CB LEU X 32 40.488 -5.838 -0.116 1.00 0.00 C ATOM 464 CG LEU X 32 41.602 -5.989 0.930 1.00 0.00 C ATOM 465 CD1 LEU X 32 41.320 -5.160 2.169 1.00 0.00 C ATOM 466 CD2 LEU X 32 41.794 -7.447 1.303 1.00 0.00 C ATOM 0 H LEU X 32 38.972 -6.412 -1.927 1.00 0.00 H new ATOM 0 HA LEU X 32 39.345 -7.604 0.462 1.00 0.00 H new ATOM 0 HB2 LEU X 32 40.878 -6.179 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU X 32 40.267 -4.776 -0.221 1.00 0.00 H new ATOM 0 HG LEU X 32 42.524 -5.618 0.482 1.00 0.00 H new ATOM 0 HD11 LEU X 32 42.129 -5.292 2.887 1.00 0.00 H new ATOM 0 HD12 LEU X 32 41.247 -4.108 1.894 1.00 0.00 H new ATOM 0 HD13 LEU X 32 40.381 -5.484 2.618 1.00 0.00 H new ATOM 0 HD21 LEU X 32 42.588 -7.531 2.045 1.00 0.00 H new ATOM 0 HD22 LEU X 32 40.866 -7.842 1.717 1.00 0.00 H new ATOM 0 HD23 LEU X 32 42.066 -8.017 0.415 1.00 0.00 H new ATOM 478 N LEU X 33 37.952 -4.680 1.070 1.00 0.00 N ATOM 479 CA LEU X 33 37.266 -3.908 2.104 1.00 0.00 C ATOM 480 C LEU X 33 36.069 -4.670 2.670 1.00 0.00 C ATOM 481 O LEU X 33 35.995 -4.916 3.874 1.00 0.00 O ATOM 482 CB LEU X 33 36.785 -2.568 1.538 1.00 0.00 C ATOM 483 CG LEU X 33 37.882 -1.648 0.996 1.00 0.00 C ATOM 484 CD1 LEU X 33 37.274 -0.388 0.409 1.00 0.00 C ATOM 485 CD2 LEU X 33 38.869 -1.286 2.089 1.00 0.00 C ATOM 0 H LEU X 33 38.056 -4.192 0.181 1.00 0.00 H new ATOM 0 HA LEU X 33 37.981 -3.734 2.908 1.00 0.00 H new ATOM 0 HB2 LEU X 33 36.073 -2.767 0.737 1.00 0.00 H new ATOM 0 HB3 LEU X 33 36.244 -2.037 2.321 1.00 0.00 H new ATOM 0 HG LEU X 33 38.415 -2.183 0.210 1.00 0.00 H new ATOM 0 HD11 LEU X 33 38.067 0.255 0.028 1.00 0.00 H new ATOM 0 HD12 LEU X 33 36.600 -0.654 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU X 33 36.717 0.142 1.182 1.00 0.00 H new ATOM 0 HD21 LEU X 33 39.640 -0.632 1.681 1.00 0.00 H new ATOM 0 HD22 LEU X 33 38.346 -0.772 2.896 1.00 0.00 H new ATOM 0 HD23 LEU X 33 39.332 -2.194 2.477 1.00 0.00 H new ATOM 497 N GLN X 34 35.112 -4.952 1.792 1.00 0.00 N ATOM 498 CA GLN X 34 33.841 -5.594 2.147 1.00 0.00 C ATOM 499 C GLN X 34 33.967 -6.683 3.214 1.00 0.00 C ATOM 500 O GLN X 34 33.170 -6.723 4.150 1.00 0.00 O ATOM 501 CB GLN X 34 33.224 -6.210 0.894 1.00 0.00 C ATOM 502 CG GLN X 34 32.757 -5.194 -0.142 1.00 0.00 C ATOM 503 CD GLN X 34 31.514 -4.432 0.283 1.00 0.00 C ATOM 504 OE1 GLN X 34 30.962 -4.779 1.439 1.00 0.00 O flip ATOM 505 NE2 GLN X 34 31.049 -3.541 -0.429 1.00 0.00 N flip ATOM 0 H GLN X 34 35.194 -4.740 0.798 1.00 0.00 H new ATOM 0 HA GLN X 34 33.212 -4.810 2.569 1.00 0.00 H new ATOM 0 HB2 GLN X 34 33.956 -6.872 0.431 1.00 0.00 H new ATOM 0 HB3 GLN X 34 32.375 -6.828 1.188 1.00 0.00 H new ATOM 0 HG2 GLN X 34 33.562 -4.485 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN X 34 32.556 -5.709 -1.081 1.00 0.00 H new ATOM 0 HE21 GLN X 34 31.503 -3.304 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN X 34 30.210 -3.040 -0.137 1.00 0.00 H new ATOM 514 N THR X 35 34.814 -7.668 2.956 1.00 0.00 N ATOM 515 CA THR X 35 34.849 -8.873 3.779 1.00 0.00 C ATOM 516 C THR X 35 35.547 -8.680 5.126 1.00 0.00 C ATOM 517 O THR X 35 35.621 -9.616 5.922 1.00 0.00 O ATOM 518 CB THR X 35 35.505 -10.011 2.997 1.00 0.00 C ATOM 519 OG1 THR X 35 36.649 -9.548 2.292 1.00 0.00 O ATOM 520 CG2 THR X 35 34.578 -10.654 1.990 1.00 0.00 C ATOM 0 H THR X 35 35.485 -7.660 2.187 1.00 0.00 H new ATOM 0 HA THR X 35 33.814 -9.122 4.013 1.00 0.00 H new ATOM 0 HB THR X 35 35.778 -10.754 3.746 1.00 0.00 H new ATOM 0 HG1 THR X 35 37.054 -10.293 1.800 1.00 0.00 H new ATOM 0 HG21 THR X 35 35.105 -11.454 1.469 1.00 0.00 H new ATOM 0 HG22 THR X 35 33.711 -11.066 2.505 1.00 0.00 H new ATOM 0 HG23 THR X 35 34.249 -9.906 1.268 1.00 0.00 H new ATOM 528 N LYS X 36 36.079 -7.495 5.387 1.00 0.00 N ATOM 529 CA LYS X 36 36.773 -7.270 6.648 1.00 0.00 C ATOM 530 C LYS X 36 36.030 -6.285 7.539 1.00 0.00 C ATOM 531 O LYS X 36 36.122 -6.391 8.756 1.00 0.00 O ATOM 532 CB LYS X 36 38.187 -6.757 6.378 1.00 0.00 C ATOM 533 CG LYS X 36 39.051 -7.752 5.623 1.00 0.00 C ATOM 534 CD LYS X 36 40.421 -7.180 5.308 1.00 0.00 C ATOM 535 CE LYS X 36 41.360 -8.253 4.782 1.00 0.00 C ATOM 536 NZ LYS X 36 41.550 -9.350 5.768 1.00 0.00 N ATOM 0 H LYS X 36 36.046 -6.691 4.760 1.00 0.00 H new ATOM 0 HA LYS X 36 36.818 -8.224 7.174 1.00 0.00 H new ATOM 0 HB2 LYS X 36 38.127 -5.831 5.807 1.00 0.00 H new ATOM 0 HB3 LYS X 36 38.666 -6.516 7.327 1.00 0.00 H new ATOM 0 HG2 LYS X 36 39.163 -8.660 6.216 1.00 0.00 H new ATOM 0 HG3 LYS X 36 38.553 -8.036 4.696 1.00 0.00 H new ATOM 0 HD2 LYS X 36 40.324 -6.385 4.569 1.00 0.00 H new ATOM 0 HD3 LYS X 36 40.845 -6.731 6.206 1.00 0.00 H new ATOM 0 HE2 LYS X 36 40.961 -8.663 3.854 1.00 0.00 H new ATOM 0 HE3 LYS X 36 42.325 -7.807 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 42.430 -9.861 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 41.607 -8.950 6.726 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 40.746 -10.008 5.715 1.00 0.00 H new ATOM 550 N ASN X 37 35.263 -5.387 6.896 1.00 0.00 N ATOM 551 CA ASN X 37 34.410 -4.345 7.538 1.00 0.00 C ATOM 552 C ASN X 37 34.561 -3.016 6.796 1.00 0.00 C ATOM 553 O ASN X 37 34.333 -1.949 7.378 1.00 0.00 O ATOM 554 CB ASN X 37 34.709 -4.104 9.044 1.00 0.00 C ATOM 555 CG ASN X 37 36.092 -3.513 9.340 1.00 0.00 C ATOM 556 OD1 ASN X 37 36.475 -2.469 8.817 1.00 0.00 O ATOM 557 ND2 ASN X 37 36.844 -4.175 10.206 1.00 0.00 N ATOM 0 H ASN X 37 35.211 -5.357 5.878 1.00 0.00 H new ATOM 0 HA ASN X 37 33.392 -4.729 7.475 1.00 0.00 H new ATOM 0 HB2 ASN X 37 33.950 -3.434 9.448 1.00 0.00 H new ATOM 0 HB3 ASN X 37 34.613 -5.051 9.575 1.00 0.00 H new ATOM 0 HD21 ASN X 37 37.768 -3.821 10.455 1.00 0.00 H new ATOM 0 HD22 ASN X 37 36.500 -5.039 10.624 1.00 0.00 H new ATOM 564 N TYR X 38 35.117 -3.091 5.578 1.00 0.00 N ATOM 565 CA TYR X 38 35.531 -1.917 4.814 1.00 0.00 C ATOM 566 C TYR X 38 36.780 -1.349 5.470 1.00 0.00 C ATOM 567 O TYR X 38 36.771 -0.234 5.990 1.00 0.00 O ATOM 568 CB TYR X 38 34.438 -0.845 4.725 1.00 0.00 C ATOM 569 CG TYR X 38 33.136 -1.299 4.090 1.00 0.00 C ATOM 570 CD1 TYR X 38 32.257 -2.143 4.763 1.00 0.00 C ATOM 571 CD2 TYR X 38 32.772 -0.858 2.826 1.00 0.00 C ATOM 572 CE1 TYR X 38 31.059 -2.525 4.196 1.00 0.00 C ATOM 573 CE2 TYR X 38 31.577 -1.241 2.251 1.00 0.00 C ATOM 574 CZ TYR X 38 30.724 -2.072 2.939 1.00 0.00 C ATOM 575 OH TYR X 38 29.528 -2.445 2.374 1.00 0.00 O ATOM 0 H TYR X 38 35.291 -3.974 5.098 1.00 0.00 H new ATOM 0 HA TYR X 38 35.731 -2.225 3.788 1.00 0.00 H new ATOM 0 HB2 TYR X 38 34.226 -0.481 5.730 1.00 0.00 H new ATOM 0 HB3 TYR X 38 34.826 -0.000 4.156 1.00 0.00 H new ATOM 0 HD1 TYR X 38 32.518 -2.505 5.747 1.00 0.00 H new ATOM 0 HD2 TYR X 38 33.436 -0.203 2.282 1.00 0.00 H new ATOM 0 HE1 TYR X 38 30.387 -3.176 4.735 1.00 0.00 H new ATOM 0 HE2 TYR X 38 31.313 -0.889 1.265 1.00 0.00 H new ATOM 0 HH TYR X 38 29.634 -3.308 1.923 1.00 0.00 H new ATOM 585 N ASP X 39 37.794 -2.200 5.593 1.00 0.00 N ATOM 586 CA ASP X 39 38.982 -1.858 6.366 1.00 0.00 C ATOM 587 C ASP X 39 40.129 -1.427 5.473 1.00 0.00 C ATOM 588 O ASP X 39 40.590 -2.195 4.630 1.00 0.00 O ATOM 589 CB ASP X 39 39.410 -3.052 7.223 1.00 0.00 C ATOM 590 CG ASP X 39 40.678 -2.798 8.001 1.00 0.00 C ATOM 591 OD1 ASP X 39 40.753 -1.768 8.694 1.00 0.00 O ATOM 592 OD2 ASP X 39 41.592 -3.642 7.941 1.00 0.00 O ATOM 0 H ASP X 39 37.817 -3.127 5.169 1.00 0.00 H new ATOM 0 HA ASP X 39 38.727 -1.017 7.010 1.00 0.00 H new ATOM 0 HB2 ASP X 39 38.608 -3.299 7.918 1.00 0.00 H new ATOM 0 HB3 ASP X 39 39.553 -3.920 6.580 1.00 0.00 H new ATOM 597 N ILE X 40 40.670 -0.249 5.752 1.00 0.00 N ATOM 598 CA ILE X 40 41.856 0.217 5.064 1.00 0.00 C ATOM 599 C ILE X 40 43.099 -0.234 5.804 1.00 0.00 C ATOM 600 O ILE X 40 44.208 -0.133 5.292 1.00 0.00 O ATOM 601 CB ILE X 40 41.886 1.754 4.892 1.00 0.00 C ATOM 602 CG1 ILE X 40 41.644 2.483 6.223 1.00 0.00 C ATOM 603 CG2 ILE X 40 40.863 2.181 3.855 1.00 0.00 C ATOM 604 CD1 ILE X 40 40.183 2.735 6.539 1.00 0.00 C ATOM 0 H ILE X 40 40.303 0.398 6.450 1.00 0.00 H new ATOM 0 HA ILE X 40 41.832 -0.221 4.066 1.00 0.00 H new ATOM 0 HB ILE X 40 42.882 2.033 4.548 1.00 0.00 H new ATOM 0 HG12 ILE X 40 42.082 1.896 7.030 1.00 0.00 H new ATOM 0 HG13 ILE X 40 42.169 3.438 6.202 1.00 0.00 H new ATOM 0 HG21 ILE X 40 40.891 3.265 3.741 1.00 0.00 H new ATOM 0 HG22 ILE X 40 41.094 1.709 2.900 1.00 0.00 H new ATOM 0 HG23 ILE X 40 39.868 1.876 4.179 1.00 0.00 H new ATOM 0 HD11 ILE X 40 40.102 3.253 7.495 1.00 0.00 H new ATOM 0 HD12 ILE X 40 39.742 3.349 5.754 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.654 1.784 6.596 1.00 0.00 H new ATOM 616 N GLY X 41 42.901 -0.789 6.990 1.00 0.00 N ATOM 617 CA GLY X 41 44.015 -1.305 7.749 1.00 0.00 C ATOM 618 C GLY X 41 44.749 -2.396 7.003 1.00 0.00 C ATOM 619 O GLY X 41 45.978 -2.452 7.008 1.00 0.00 O ATOM 0 H GLY X 41 41.990 -0.890 7.438 1.00 0.00 H new ATOM 0 HA2 GLY X 41 44.706 -0.493 7.977 1.00 0.00 H new ATOM 0 HA3 GLY X 41 43.656 -1.695 8.701 1.00 0.00 H new ATOM 623 N ALA X 42 43.989 -3.211 6.295 1.00 0.00 N ATOM 624 CA ALA X 42 44.557 -4.254 5.455 1.00 0.00 C ATOM 625 C ALA X 42 44.607 -3.808 4.003 1.00 0.00 C ATOM 626 O ALA X 42 45.400 -4.322 3.216 1.00 0.00 O ATOM 627 CB ALA X 42 43.768 -5.545 5.587 1.00 0.00 C ATOM 0 H ALA X 42 42.970 -3.171 6.284 1.00 0.00 H new ATOM 0 HA ALA X 42 45.576 -4.440 5.793 1.00 0.00 H new ATOM 0 HB1 ALA X 42 44.212 -6.310 4.950 1.00 0.00 H new ATOM 0 HB2 ALA X 42 43.789 -5.880 6.624 1.00 0.00 H new ATOM 0 HB3 ALA X 42 42.736 -5.373 5.282 1.00 0.00 H new ATOM 633 N ALA X 43 43.780 -2.828 3.666 1.00 0.00 N ATOM 634 CA ALA X 43 43.760 -2.279 2.311 1.00 0.00 C ATOM 635 C ALA X 43 45.057 -1.541 2.001 1.00 0.00 C ATOM 636 O ALA X 43 45.527 -1.553 0.868 1.00 0.00 O ATOM 637 CB ALA X 43 42.569 -1.352 2.112 1.00 0.00 C ATOM 0 H ALA X 43 43.115 -2.396 4.307 1.00 0.00 H new ATOM 0 HA ALA X 43 43.664 -3.116 1.620 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.580 -0.959 1.096 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.645 -1.906 2.277 1.00 0.00 H new ATOM 0 HB3 ALA X 43 42.628 -0.526 2.821 1.00 0.00 H new ATOM 643 N LEU X 44 45.638 -0.905 3.017 1.00 0.00 N ATOM 644 CA LEU X 44 46.891 -0.172 2.850 1.00 0.00 C ATOM 645 C LEU X 44 48.028 -1.108 2.471 1.00 0.00 C ATOM 646 O LEU X 44 48.905 -0.735 1.693 1.00 0.00 O ATOM 647 CB LEU X 44 47.241 0.610 4.120 1.00 0.00 C ATOM 648 CG LEU X 44 46.781 2.075 4.137 1.00 0.00 C ATOM 649 CD1 LEU X 44 45.295 2.193 3.830 1.00 0.00 C ATOM 650 CD2 LEU X 44 47.088 2.710 5.481 1.00 0.00 C ATOM 0 H LEU X 44 45.261 -0.883 3.964 1.00 0.00 H new ATOM 0 HA LEU X 44 46.752 0.539 2.036 1.00 0.00 H new ATOM 0 HB2 LEU X 44 46.800 0.098 4.975 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.322 0.584 4.256 1.00 0.00 H new ATOM 0 HG LEU X 44 47.330 2.605 3.359 1.00 0.00 H new ATOM 0 HD11 LEU X 44 45.002 3.243 3.850 1.00 0.00 H new ATOM 0 HD12 LEU X 44 45.094 1.779 2.842 1.00 0.00 H new ATOM 0 HD13 LEU X 44 44.724 1.642 4.578 1.00 0.00 H new ATOM 0 HD21 LEU X 44 46.756 3.748 5.477 1.00 0.00 H new ATOM 0 HD22 LEU X 44 46.567 2.165 6.268 1.00 0.00 H new ATOM 0 HD23 LEU X 44 48.162 2.673 5.664 1.00 0.00 H new ATOM 662 N ASP X 45 47.946 -2.351 2.936 1.00 0.00 N ATOM 663 CA ASP X 45 48.910 -3.377 2.554 1.00 0.00 C ATOM 664 C ASP X 45 48.945 -3.551 1.036 1.00 0.00 C ATOM 665 O ASP X 45 49.995 -3.801 0.448 1.00 0.00 O ATOM 666 CB ASP X 45 48.545 -4.706 3.221 1.00 0.00 C ATOM 667 CG ASP X 45 49.384 -5.861 2.729 1.00 0.00 C ATOM 668 OD1 ASP X 45 50.587 -5.902 3.043 1.00 0.00 O ATOM 669 OD2 ASP X 45 48.838 -6.729 2.020 1.00 0.00 O ATOM 0 H ASP X 45 47.221 -2.672 3.578 1.00 0.00 H new ATOM 0 HA ASP X 45 49.899 -3.063 2.888 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.665 -4.610 4.300 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.493 -4.923 3.035 1.00 0.00 H new ATOM 674 N THR X 46 47.778 -3.494 0.417 1.00 0.00 N ATOM 675 CA THR X 46 47.661 -3.737 -1.011 1.00 0.00 C ATOM 676 C THR X 46 47.704 -2.445 -1.845 1.00 0.00 C ATOM 677 O THR X 46 47.822 -2.508 -3.071 1.00 0.00 O ATOM 678 CB THR X 46 46.386 -4.531 -1.280 1.00 0.00 C ATOM 679 OG1 THR X 46 45.303 -3.995 -0.547 1.00 0.00 O ATOM 680 CG2 THR X 46 46.498 -5.992 -0.911 1.00 0.00 C ATOM 0 H THR X 46 46.896 -3.281 0.882 1.00 0.00 H new ATOM 0 HA THR X 46 48.528 -4.317 -1.326 1.00 0.00 H new ATOM 0 HB THR X 46 46.222 -4.454 -2.355 1.00 0.00 H new ATOM 0 HG1 THR X 46 44.746 -3.448 -1.139 1.00 0.00 H new ATOM 0 HG21 THR X 46 45.556 -6.495 -1.128 1.00 0.00 H new ATOM 0 HG22 THR X 46 47.298 -6.453 -1.490 1.00 0.00 H new ATOM 0 HG23 THR X 46 46.721 -6.083 0.152 1.00 0.00 H new ATOM 688 N ILE X 47 47.725 -1.281 -1.191 1.00 0.00 N ATOM 689 CA ILE X 47 47.902 -0.014 -1.912 1.00 0.00 C ATOM 690 C ILE X 47 49.324 0.519 -1.773 1.00 0.00 C ATOM 691 O ILE X 47 49.527 1.727 -1.647 1.00 0.00 O ATOM 692 CB ILE X 47 46.892 1.100 -1.542 1.00 0.00 C ATOM 693 CG1 ILE X 47 46.579 1.105 -0.053 1.00 0.00 C ATOM 694 CG2 ILE X 47 45.618 0.972 -2.364 1.00 0.00 C ATOM 695 CD1 ILE X 47 45.535 2.131 0.338 1.00 0.00 C ATOM 0 H ILE X 47 47.624 -1.187 -0.180 1.00 0.00 H new ATOM 0 HA ILE X 47 47.700 -0.275 -2.951 1.00 0.00 H new ATOM 0 HB ILE X 47 47.359 2.056 -1.780 1.00 0.00 H new ATOM 0 HG12 ILE X 47 46.233 0.114 0.241 1.00 0.00 H new ATOM 0 HG13 ILE X 47 47.496 1.300 0.503 1.00 0.00 H new ATOM 0 HG21 ILE X 47 44.924 1.765 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE X 47 45.859 1.055 -3.424 1.00 0.00 H new ATOM 0 HG23 ILE X 47 45.157 0.003 -2.172 1.00 0.00 H new ATOM 0 HD11 ILE X 47 45.360 2.081 1.413 1.00 0.00 H new ATOM 0 HD12 ILE X 47 45.888 3.128 0.074 1.00 0.00 H new ATOM 0 HD13 ILE X 47 44.605 1.924 -0.191 1.00 0.00 H new ATOM 707 N GLN X 48 50.289 -0.396 -1.918 1.00 0.00 N ATOM 708 CA GLN X 48 51.727 -0.077 -1.970 1.00 0.00 C ATOM 709 C GLN X 48 52.337 0.105 -0.582 1.00 0.00 C ATOM 710 O GLN X 48 53.322 0.829 -0.423 1.00 0.00 O ATOM 711 CB GLN X 48 52.007 1.163 -2.842 1.00 0.00 C ATOM 712 CG GLN X 48 51.445 1.068 -4.259 1.00 0.00 C ATOM 713 CD GLN X 48 50.406 2.139 -4.541 1.00 0.00 C ATOM 714 OE1 GLN X 48 50.723 3.326 -4.595 1.00 0.00 O ATOM 715 NE2 GLN X 48 49.157 1.727 -4.715 1.00 0.00 N ATOM 0 H GLN X 48 50.094 -1.394 -2.004 1.00 0.00 H new ATOM 0 HA GLN X 48 52.208 -0.939 -2.432 1.00 0.00 H new ATOM 0 HB2 GLN X 48 51.584 2.041 -2.353 1.00 0.00 H new ATOM 0 HB3 GLN X 48 53.084 1.318 -2.899 1.00 0.00 H new ATOM 0 HG2 GLN X 48 52.260 1.158 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN X 48 50.998 0.084 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN X 48 48.936 0.733 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN X 48 48.418 2.405 -4.902 1.00 0.00 H new ATOM 724 N TYR X 49 51.832 -0.648 0.391 1.00 0.00 N ATOM 725 CA TYR X 49 52.411 -0.669 1.734 1.00 0.00 C ATOM 726 C TYR X 49 52.372 -2.085 2.296 1.00 0.00 C ATOM 727 O TYR X 49 51.708 -2.344 3.299 1.00 0.00 O ATOM 728 CB TYR X 49 51.649 0.269 2.677 1.00 0.00 C ATOM 729 CG TYR X 49 51.806 1.736 2.357 1.00 0.00 C ATOM 730 CD1 TYR X 49 53.033 2.370 2.493 1.00 0.00 C ATOM 731 CD2 TYR X 49 50.724 2.488 1.922 1.00 0.00 C ATOM 732 CE1 TYR X 49 53.178 3.712 2.203 1.00 0.00 C ATOM 733 CE2 TYR X 49 50.861 3.831 1.628 1.00 0.00 C ATOM 734 CZ TYR X 49 52.089 4.439 1.772 1.00 0.00 C ATOM 735 OH TYR X 49 52.229 5.777 1.482 1.00 0.00 O ATOM 0 H TYR X 49 51.020 -1.254 0.275 1.00 0.00 H new ATOM 0 HA TYR X 49 53.444 -0.328 1.660 1.00 0.00 H new ATOM 0 HB2 TYR X 49 50.590 0.014 2.646 1.00 0.00 H new ATOM 0 HB3 TYR X 49 51.989 0.094 3.698 1.00 0.00 H new ATOM 0 HD1 TYR X 49 53.889 1.804 2.831 1.00 0.00 H new ATOM 0 HD2 TYR X 49 49.759 2.016 1.811 1.00 0.00 H new ATOM 0 HE1 TYR X 49 54.140 4.190 2.313 1.00 0.00 H new ATOM 0 HE2 TYR X 49 50.010 4.401 1.287 1.00 0.00 H new ATOM 0 HH TYR X 49 51.367 6.141 1.191 1.00 0.00 H new ATOM 745 N SER X 50 52.996 -3.019 1.593 1.00 0.00 N ATOM 746 CA SER X 50 52.925 -4.426 1.970 1.00 0.00 C ATOM 747 C SER X 50 54.136 -4.873 2.779 1.00 0.00 C ATOM 748 O SER X 50 54.450 -6.062 2.831 1.00 0.00 O ATOM 749 CB SER X 50 52.786 -5.295 0.721 1.00 0.00 C ATOM 750 OG SER X 50 53.693 -4.887 -0.291 1.00 0.00 O ATOM 0 H SER X 50 53.556 -2.831 0.761 1.00 0.00 H new ATOM 0 HA SER X 50 52.047 -4.546 2.605 1.00 0.00 H new ATOM 0 HB2 SER X 50 52.969 -6.338 0.978 1.00 0.00 H new ATOM 0 HB3 SER X 50 51.765 -5.234 0.344 1.00 0.00 H new ATOM 0 HG SER X 50 53.584 -5.460 -1.078 1.00 0.00 H new ATOM 756 N LYS X 51 54.800 -3.938 3.434 1.00 0.00 N ATOM 757 CA LYS X 51 55.949 -4.277 4.248 1.00 0.00 C ATOM 758 C LYS X 51 55.764 -3.737 5.657 1.00 0.00 C ATOM 759 O LYS X 51 56.082 -2.583 5.938 1.00 0.00 O ATOM 760 CB LYS X 51 57.225 -3.724 3.607 1.00 0.00 C ATOM 761 CG LYS X 51 58.508 -4.240 4.240 1.00 0.00 C ATOM 762 CD LYS X 51 59.711 -3.995 3.340 1.00 0.00 C ATOM 763 CE LYS X 51 59.993 -2.511 3.152 1.00 0.00 C ATOM 764 NZ LYS X 51 60.398 -1.852 4.424 1.00 0.00 N ATOM 0 H LYS X 51 54.565 -2.946 3.418 1.00 0.00 H new ATOM 0 HA LYS X 51 56.042 -5.361 4.309 1.00 0.00 H new ATOM 0 HB2 LYS X 51 57.227 -3.979 2.547 1.00 0.00 H new ATOM 0 HB3 LYS X 51 57.211 -2.636 3.674 1.00 0.00 H new ATOM 0 HG2 LYS X 51 58.664 -3.749 5.200 1.00 0.00 H new ATOM 0 HG3 LYS X 51 58.413 -5.307 4.440 1.00 0.00 H new ATOM 0 HD2 LYS X 51 60.589 -4.479 3.769 1.00 0.00 H new ATOM 0 HD3 LYS X 51 59.536 -4.456 2.368 1.00 0.00 H new ATOM 0 HE2 LYS X 51 60.782 -2.384 2.411 1.00 0.00 H new ATOM 0 HE3 LYS X 51 59.103 -2.021 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 60.758 -0.897 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 59.576 -1.785 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 61.144 -2.413 4.883 1.00 0.00 H new ATOM 778 N HIS X 52 55.206 -4.567 6.527 1.00 0.00 N ATOM 779 CA HIS X 52 54.938 -4.165 7.898 1.00 0.00 C ATOM 780 C HIS X 52 55.944 -4.810 8.843 1.00 0.00 C ATOM 781 O HIS X 52 57.157 -4.672 8.599 1.00 0.00 O ATOM 782 CB HIS X 52 53.510 -4.547 8.313 1.00 0.00 C ATOM 783 CG HIS X 52 52.445 -3.673 7.722 1.00 0.00 C ATOM 784 ND1 HIS X 52 51.545 -2.862 8.334 1.00 0.00 N flip ATOM 785 CD2 HIS X 52 52.204 -3.552 6.371 1.00 0.00 C flip ATOM 786 CE1 HIS X 52 50.756 -2.243 7.368 1.00 0.00 C flip ATOM 787 NE2 HIS X 52 51.192 -2.691 6.208 1.00 0.00 N flip ATOM 788 OXT HIS X 52 55.515 -5.459 9.814 1.00 0.00 O ATOM 0 H HIS X 52 54.930 -5.524 6.306 1.00 0.00 H new ATOM 0 HA HIS X 52 55.036 -3.081 7.958 1.00 0.00 H new ATOM 0 HB2 HIS X 52 53.322 -5.580 8.019 1.00 0.00 H new ATOM 0 HB3 HIS X 52 53.436 -4.507 9.400 1.00 0.00 H new ATOM 0 HD2 HIS X 52 52.737 -4.062 5.582 1.00 0.00 H new ATOM 0 HE1 HIS X 52 49.953 -1.541 7.535 1.00 0.00 H new ATOM 0 HE2 HIS X 52 50.808 -2.417 5.303 1.00 0.00 H new TER 796 HIS X 52