USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 CYS SG : rot -149:sc= -1.92 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -8.03! C(o=-18!,f=-22!) USER MOD Set 1.3: A 34 CYS SG : rot 173:sc= -4.69! USER MOD Set 1.4: A 37 CYS SG : rot -70:sc= -3.31 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -129:sc= -1.24 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -109:sc= -2.87 (180deg=-5.36!) USER MOD Single : A 50 SER OG : rot -60:sc= 0.866 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.342 K(o=-0.34,f=-2.6!) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.216) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -10.437 15.591 -10.804 1.00 0.00 N ATOM 2 CA ALA A 2 -9.749 16.867 -11.134 1.00 0.00 C ATOM 3 C ALA A 2 -8.361 16.606 -11.709 1.00 0.00 C ATOM 4 O ALA A 2 -7.946 15.457 -11.855 1.00 0.00 O ATOM 5 CB ALA A 2 -9.650 17.748 -9.897 1.00 0.00 C ATOM 0 HA ALA A 2 -10.338 17.385 -11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.144 18.679 -10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.651 17.969 -9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.084 17.228 -9.124 1.00 0.00 H new ATOM 10 N SER A 3 -7.649 17.679 -12.033 1.00 0.00 N ATOM 11 CA SER A 3 -6.308 17.567 -12.591 1.00 0.00 C ATOM 12 C SER A 3 -5.249 17.769 -11.511 1.00 0.00 C ATOM 13 O SER A 3 -4.150 18.252 -11.788 1.00 0.00 O ATOM 14 CB SER A 3 -6.111 18.589 -13.713 1.00 0.00 C ATOM 15 OG SER A 3 -6.668 18.126 -14.929 1.00 0.00 O ATOM 0 H SER A 3 -7.979 18.637 -11.918 1.00 0.00 H new ATOM 0 HA SER A 3 -6.196 16.563 -13.000 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.576 19.534 -13.433 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.047 18.785 -13.848 1.00 0.00 H new ATOM 0 HG SER A 3 -6.530 18.798 -15.629 1.00 0.00 H new ATOM 21 N THR A 4 -5.586 17.395 -10.281 1.00 0.00 N ATOM 22 CA THR A 4 -4.664 17.534 -9.159 1.00 0.00 C ATOM 23 C THR A 4 -4.396 16.183 -8.505 1.00 0.00 C ATOM 24 O THR A 4 -3.256 15.860 -8.167 1.00 0.00 O ATOM 25 CB THR A 4 -5.230 18.512 -8.127 1.00 0.00 C ATOM 26 OG1 THR A 4 -6.486 18.065 -7.649 1.00 0.00 O ATOM 27 CG2 THR A 4 -5.414 19.913 -8.667 1.00 0.00 C ATOM 0 H THR A 4 -6.491 16.993 -10.036 1.00 0.00 H new ATOM 0 HA THR A 4 -3.721 17.925 -9.541 1.00 0.00 H new ATOM 0 HB THR A 4 -4.492 18.545 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.831 18.702 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.818 20.555 -7.884 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.452 20.305 -8.997 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.105 19.890 -9.510 1.00 0.00 H new ATOM 35 N SER A 5 -5.454 15.397 -8.329 1.00 0.00 N ATOM 36 CA SER A 5 -5.333 14.080 -7.717 1.00 0.00 C ATOM 37 C SER A 5 -5.179 12.997 -8.780 1.00 0.00 C ATOM 38 O SER A 5 -5.085 13.293 -9.971 1.00 0.00 O ATOM 39 CB SER A 5 -6.555 13.786 -6.845 1.00 0.00 C ATOM 40 OG SER A 5 -6.322 14.153 -5.497 1.00 0.00 O ATOM 0 H SER A 5 -6.404 15.650 -8.602 1.00 0.00 H new ATOM 0 HA SER A 5 -4.440 14.078 -7.092 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.418 14.330 -7.229 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.797 12.725 -6.899 1.00 0.00 H new ATOM 0 HG SER A 5 -7.119 13.956 -4.962 1.00 0.00 H new ATOM 46 N ARG A 6 -5.153 11.742 -8.341 1.00 0.00 N ATOM 47 CA ARG A 6 -5.009 10.617 -9.256 1.00 0.00 C ATOM 48 C ARG A 6 -6.099 9.576 -9.012 1.00 0.00 C ATOM 49 O ARG A 6 -6.987 9.388 -9.843 1.00 0.00 O ATOM 50 CB ARG A 6 -3.630 9.975 -9.096 1.00 0.00 C ATOM 51 CG ARG A 6 -2.480 10.937 -9.347 1.00 0.00 C ATOM 52 CD ARG A 6 -1.181 10.422 -8.747 1.00 0.00 C ATOM 53 NE ARG A 6 -0.282 9.885 -9.767 1.00 0.00 N ATOM 54 CZ ARG A 6 0.468 10.640 -10.565 1.00 0.00 C ATOM 55 NH1 ARG A 6 0.433 11.963 -10.466 1.00 0.00 N ATOM 56 NH2 ARG A 6 1.259 10.070 -11.465 1.00 0.00 N ATOM 0 H ARG A 6 -5.230 11.480 -7.358 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.110 10.993 -10.274 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.541 9.570 -8.088 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.547 9.135 -9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.354 11.083 -10.420 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.719 11.911 -8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.682 11.231 -8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.403 9.646 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.227 8.872 -9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.172 12.407 -9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.011 12.536 -11.081 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.292 9.054 -11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.834 10.648 -12.077 1.00 0.00 H new ATOM 70 N LEU A 7 -6.022 8.903 -7.869 1.00 0.00 N ATOM 71 CA LEU A 7 -7.002 7.882 -7.517 1.00 0.00 C ATOM 72 C LEU A 7 -7.310 7.915 -6.024 1.00 0.00 C ATOM 73 O LEU A 7 -6.765 8.735 -5.284 1.00 0.00 O ATOM 74 CB LEU A 7 -6.489 6.496 -7.913 1.00 0.00 C ATOM 75 CG LEU A 7 -6.158 6.326 -9.396 1.00 0.00 C ATOM 76 CD1 LEU A 7 -4.707 6.690 -9.665 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.446 4.901 -9.846 1.00 0.00 C ATOM 0 H LEU A 7 -5.292 9.046 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.921 8.092 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.595 6.276 -7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.240 5.755 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.792 7.002 -9.970 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.491 6.563 -10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.534 7.728 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.055 6.041 -9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.205 4.798 -10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.838 4.206 -9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.501 4.677 -9.691 1.00 0.00 H new ATOM 89 N ASP A 8 -8.188 7.017 -5.587 1.00 0.00 N ATOM 90 CA ASP A 8 -8.570 6.942 -4.182 1.00 0.00 C ATOM 91 C ASP A 8 -8.753 5.492 -3.744 1.00 0.00 C ATOM 92 O ASP A 8 -9.553 5.198 -2.854 1.00 0.00 O ATOM 93 CB ASP A 8 -9.860 7.726 -3.940 1.00 0.00 C ATOM 94 CG ASP A 8 -10.962 7.339 -4.908 1.00 0.00 C ATOM 95 OD1 ASP A 8 -11.492 6.215 -4.785 1.00 0.00 O ATOM 96 OD2 ASP A 8 -11.295 8.161 -5.787 1.00 0.00 O ATOM 0 H ASP A 8 -8.648 6.331 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.768 7.383 -3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.200 7.554 -2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.657 8.793 -4.033 1.00 0.00 H new ATOM 101 N ALA A 9 -8.005 4.590 -4.372 1.00 0.00 N ATOM 102 CA ALA A 9 -8.085 3.171 -4.047 1.00 0.00 C ATOM 103 C ALA A 9 -7.058 2.368 -4.837 1.00 0.00 C ATOM 104 O ALA A 9 -6.884 2.576 -6.038 1.00 0.00 O ATOM 105 CB ALA A 9 -9.488 2.646 -4.315 1.00 0.00 C ATOM 0 H ALA A 9 -7.337 4.817 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.862 3.054 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.533 1.585 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.204 3.192 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.733 2.784 -5.368 1.00 0.00 H new ATOM 111 N LEU A 10 -6.379 1.451 -4.156 1.00 0.00 N ATOM 112 CA LEU A 10 -5.368 0.616 -4.800 1.00 0.00 C ATOM 113 C LEU A 10 -5.529 -0.857 -4.409 1.00 0.00 C ATOM 114 O LEU A 10 -5.760 -1.701 -5.274 1.00 0.00 O ATOM 115 CB LEU A 10 -3.948 1.102 -4.466 1.00 0.00 C ATOM 116 CG LEU A 10 -3.821 2.589 -4.107 1.00 0.00 C ATOM 117 CD1 LEU A 10 -3.219 2.758 -2.721 1.00 0.00 C ATOM 118 CD2 LEU A 10 -2.976 3.316 -5.145 1.00 0.00 C ATOM 0 H LEU A 10 -6.509 1.266 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.517 0.703 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.569 0.512 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.303 0.897 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.819 3.026 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.138 3.819 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.859 2.272 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.228 2.304 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.896 4.369 -4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.981 2.873 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.446 3.227 -6.124 1.00 0.00 H new ATOM 130 N PRO A 11 -5.409 -1.197 -3.108 1.00 0.00 N ATOM 131 CA PRO A 11 -5.547 -2.585 -2.650 1.00 0.00 C ATOM 132 C PRO A 11 -6.974 -3.107 -2.789 1.00 0.00 C ATOM 133 O PRO A 11 -7.632 -3.421 -1.796 1.00 0.00 O ATOM 134 CB PRO A 11 -5.143 -2.520 -1.176 1.00 0.00 C ATOM 135 CG PRO A 11 -5.418 -1.115 -0.772 1.00 0.00 C ATOM 136 CD PRO A 11 -5.130 -0.277 -1.986 1.00 0.00 C ATOM 0 HA PRO A 11 -4.937 -3.267 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.719 -3.225 -0.576 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.091 -2.772 -1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.453 -0.996 -0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.788 -0.819 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.765 0.608 -2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.097 0.071 -1.999 1.00 0.00 H new ATOM 144 N ARG A 12 -7.447 -3.204 -4.028 1.00 0.00 N ATOM 145 CA ARG A 12 -8.794 -3.696 -4.295 1.00 0.00 C ATOM 146 C ARG A 12 -8.804 -5.220 -4.362 1.00 0.00 C ATOM 147 O ARG A 12 -8.261 -5.810 -5.293 1.00 0.00 O ATOM 148 CB ARG A 12 -9.325 -3.108 -5.606 1.00 0.00 C ATOM 149 CG ARG A 12 -10.579 -2.265 -5.431 1.00 0.00 C ATOM 150 CD ARG A 12 -11.760 -2.855 -6.185 1.00 0.00 C ATOM 151 NE ARG A 12 -11.952 -4.270 -5.879 1.00 0.00 N ATOM 152 CZ ARG A 12 -12.661 -5.104 -6.637 1.00 0.00 C ATOM 153 NH1 ARG A 12 -13.246 -4.668 -7.746 1.00 0.00 N ATOM 154 NH2 ARG A 12 -12.785 -6.376 -6.285 1.00 0.00 N ATOM 0 H ARG A 12 -6.918 -2.949 -4.862 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.443 -3.380 -3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.547 -2.496 -6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.538 -3.921 -6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.823 -2.191 -4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.389 -1.252 -5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.665 -2.303 -5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.603 -2.734 -7.257 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.517 -4.641 -5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.153 -3.690 -8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.788 -5.311 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.337 -6.716 -5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.328 -7.015 -6.865 1.00 0.00 H new ATOM 168 N VAL A 13 -9.415 -5.849 -3.362 1.00 0.00 N ATOM 169 CA VAL A 13 -9.489 -7.307 -3.295 1.00 0.00 C ATOM 170 C VAL A 13 -8.145 -7.895 -2.868 1.00 0.00 C ATOM 171 O VAL A 13 -7.119 -7.215 -2.916 1.00 0.00 O ATOM 172 CB VAL A 13 -9.939 -7.921 -4.649 1.00 0.00 C ATOM 173 CG1 VAL A 13 -8.770 -8.535 -5.416 1.00 0.00 C ATOM 174 CG2 VAL A 13 -11.030 -8.957 -4.421 1.00 0.00 C ATOM 0 H VAL A 13 -9.868 -5.370 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.240 -7.562 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.337 -7.111 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.131 -8.952 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.026 -7.766 -5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.318 -9.326 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.336 -9.379 -5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.649 -9.751 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.887 -8.483 -3.942 1.00 0.00 H new ATOM 184 N THR A 14 -8.154 -9.156 -2.453 1.00 0.00 N ATOM 185 CA THR A 14 -6.935 -9.828 -2.019 1.00 0.00 C ATOM 186 C THR A 14 -6.252 -10.522 -3.204 1.00 0.00 C ATOM 187 O THR A 14 -6.301 -10.022 -4.329 1.00 0.00 O ATOM 188 CB THR A 14 -7.269 -10.832 -0.912 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.083 -11.878 -1.412 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.996 -10.204 0.259 1.00 0.00 C ATOM 0 H THR A 14 -8.993 -9.735 -2.408 1.00 0.00 H new ATOM 0 HA THR A 14 -6.239 -9.089 -1.622 1.00 0.00 H new ATOM 0 HB THR A 14 -6.309 -11.213 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.867 -11.988 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.204 -10.967 1.009 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.374 -9.424 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.934 -9.769 -0.086 1.00 0.00 H new ATOM 198 N CYS A 15 -5.621 -11.669 -2.958 1.00 0.00 N ATOM 199 CA CYS A 15 -4.944 -12.412 -4.013 1.00 0.00 C ATOM 200 C CYS A 15 -5.956 -13.057 -4.956 1.00 0.00 C ATOM 201 O CYS A 15 -6.945 -13.637 -4.507 1.00 0.00 O ATOM 202 CB CYS A 15 -4.047 -13.493 -3.404 1.00 0.00 C ATOM 203 SG CYS A 15 -2.874 -14.232 -4.563 1.00 0.00 S ATOM 0 H CYS A 15 -5.566 -12.102 -2.036 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.332 -11.713 -4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.492 -13.061 -2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.677 -14.281 -2.992 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.652 -15.468 -4.226 1.00 0.00 H new ATOM 209 N PRO A 16 -5.723 -12.975 -6.277 1.00 0.00 N ATOM 210 CA PRO A 16 -6.625 -13.566 -7.269 1.00 0.00 C ATOM 211 C PRO A 16 -6.760 -15.074 -7.090 1.00 0.00 C ATOM 212 O PRO A 16 -7.767 -15.668 -7.476 1.00 0.00 O ATOM 213 CB PRO A 16 -5.959 -13.241 -8.613 1.00 0.00 C ATOM 214 CG PRO A 16 -4.540 -12.931 -8.277 1.00 0.00 C ATOM 215 CD PRO A 16 -4.569 -12.314 -6.909 1.00 0.00 C ATOM 0 HA PRO A 16 -7.638 -13.172 -7.183 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.026 -14.084 -9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.443 -12.394 -9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.930 -13.834 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.106 -12.246 -9.006 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.646 -12.502 -6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.698 -11.233 -6.956 1.00 0.00 H new ATOM 223 N ASN A 17 -5.740 -15.690 -6.499 1.00 0.00 N ATOM 224 CA ASN A 17 -5.748 -17.128 -6.267 1.00 0.00 C ATOM 225 C ASN A 17 -5.922 -17.433 -4.783 1.00 0.00 C ATOM 226 O ASN A 17 -6.490 -18.461 -4.413 1.00 0.00 O ATOM 227 CB ASN A 17 -4.450 -17.755 -6.782 1.00 0.00 C ATOM 228 CG ASN A 17 -4.653 -18.521 -8.074 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.299 -18.036 -9.002 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.100 -19.727 -8.141 1.00 0.00 N ATOM 0 H ASN A 17 -4.899 -15.215 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.590 -17.558 -6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.709 -16.972 -6.940 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.048 -18.427 -6.024 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.203 -20.289 -8.986 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.572 -20.091 -7.348 1.00 0.00 H new ATOM 237 N HIS A 18 -5.430 -16.533 -3.937 1.00 0.00 N ATOM 238 CA HIS A 18 -5.531 -16.710 -2.493 1.00 0.00 C ATOM 239 C HIS A 18 -6.444 -15.663 -1.866 1.00 0.00 C ATOM 240 O HIS A 18 -5.974 -14.669 -1.313 1.00 0.00 O ATOM 241 CB HIS A 18 -4.155 -16.638 -1.840 1.00 0.00 C ATOM 242 CG HIS A 18 -3.197 -17.691 -2.302 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.970 -17.393 -2.852 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.269 -19.041 -2.255 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.324 -18.513 -3.119 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.092 -19.528 -2.768 1.00 0.00 N ATOM 0 H HIS A 18 -4.959 -15.676 -4.226 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.961 -17.697 -2.319 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.722 -15.658 -2.039 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.274 -16.721 -0.760 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.097 -19.626 -1.884 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.337 -18.586 -3.551 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.850 -20.514 -2.863 1.00 0.00 H new ATOM 255 N PRO A 19 -7.768 -15.880 -1.918 1.00 0.00 N ATOM 256 CA PRO A 19 -8.729 -14.952 -1.327 1.00 0.00 C ATOM 257 C PRO A 19 -8.464 -14.769 0.162 1.00 0.00 C ATOM 258 O PRO A 19 -8.674 -13.690 0.717 1.00 0.00 O ATOM 259 CB PRO A 19 -10.089 -15.625 -1.557 1.00 0.00 C ATOM 260 CG PRO A 19 -9.776 -17.050 -1.867 1.00 0.00 C ATOM 261 CD PRO A 19 -8.426 -17.045 -2.527 1.00 0.00 C ATOM 0 HA PRO A 19 -8.672 -13.957 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.722 -15.545 -0.673 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.627 -15.153 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.764 -17.653 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.530 -17.481 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.878 -17.967 -2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.506 -16.944 -3.609 1.00 0.00 H new ATOM 269 N ASP A 20 -7.998 -15.840 0.800 1.00 0.00 N ATOM 270 CA ASP A 20 -7.698 -15.817 2.223 1.00 0.00 C ATOM 271 C ASP A 20 -6.427 -15.019 2.509 1.00 0.00 C ATOM 272 O ASP A 20 -6.380 -14.241 3.462 1.00 0.00 O ATOM 273 CB ASP A 20 -7.549 -17.243 2.756 1.00 0.00 C ATOM 274 CG ASP A 20 -8.886 -17.935 2.931 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.873 -17.488 2.311 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.947 -18.927 3.689 1.00 0.00 O ATOM 0 H ASP A 20 -7.820 -16.737 0.348 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.529 -15.328 2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.930 -17.822 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.027 -17.218 3.713 1.00 0.00 H new ATOM 281 N ALA A 21 -5.399 -15.208 1.682 1.00 0.00 N ATOM 282 CA ALA A 21 -4.144 -14.488 1.872 1.00 0.00 C ATOM 283 C ALA A 21 -4.277 -13.037 1.435 1.00 0.00 C ATOM 284 O ALA A 21 -4.015 -12.693 0.281 1.00 0.00 O ATOM 285 CB ALA A 21 -3.001 -15.164 1.134 1.00 0.00 C ATOM 0 H ALA A 21 -5.411 -15.845 0.885 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.914 -14.506 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.081 -14.603 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.877 -16.180 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.224 -15.195 0.068 1.00 0.00 H new ATOM 291 N ILE A 22 -4.718 -12.215 2.377 1.00 0.00 N ATOM 292 CA ILE A 22 -4.926 -10.796 2.133 1.00 0.00 C ATOM 293 C ILE A 22 -3.605 -10.059 1.925 1.00 0.00 C ATOM 294 O ILE A 22 -3.139 -9.341 2.810 1.00 0.00 O ATOM 295 CB ILE A 22 -5.700 -10.128 3.285 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.865 -11.015 3.737 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.203 -8.765 2.847 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.720 -11.526 5.155 1.00 0.00 C ATOM 0 H ILE A 22 -4.941 -12.512 3.327 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.518 -10.727 1.220 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.027 -9.997 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.794 -10.450 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.948 -11.865 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.749 -8.298 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.357 -8.136 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.865 -8.880 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.580 -12.147 5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.808 -12.118 5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.667 -10.682 5.842 1.00 0.00 H new ATOM 310 N LEU A 23 -3.011 -10.262 0.740 1.00 0.00 N ATOM 311 CA LEU A 23 -1.734 -9.633 0.374 1.00 0.00 C ATOM 312 C LEU A 23 -1.387 -8.495 1.318 1.00 0.00 C ATOM 313 O LEU A 23 -2.065 -7.479 1.366 1.00 0.00 O ATOM 314 CB LEU A 23 -1.768 -9.115 -1.064 1.00 0.00 C ATOM 315 CG LEU A 23 -1.409 -10.154 -2.123 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.640 -10.540 -2.928 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.300 -9.644 -3.034 1.00 0.00 C ATOM 0 H LEU A 23 -3.399 -10.863 0.013 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.964 -10.400 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.766 -8.731 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.079 -8.275 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.039 -11.045 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.366 -11.282 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.394 -10.959 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.044 -9.656 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.063 -10.403 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.630 -8.734 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.589 -9.429 -2.440 1.00 0.00 H new ATOM 329 N VAL A 24 -0.345 -8.685 2.088 1.00 0.00 N ATOM 330 CA VAL A 24 0.058 -7.683 3.047 1.00 0.00 C ATOM 331 C VAL A 24 0.867 -6.583 2.385 1.00 0.00 C ATOM 332 O VAL A 24 1.353 -6.734 1.266 1.00 0.00 O ATOM 333 CB VAL A 24 0.835 -8.324 4.198 1.00 0.00 C ATOM 334 CG1 VAL A 24 0.885 -7.394 5.401 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.189 -9.655 4.556 1.00 0.00 C ATOM 0 H VAL A 24 0.239 -9.521 2.071 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.842 -7.225 3.458 1.00 0.00 H new ATOM 0 HB VAL A 24 1.864 -8.502 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.443 -7.871 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.378 -6.463 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.129 -7.181 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.738 -10.117 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.844 -9.488 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.210 -10.314 3.688 1.00 0.00 H new ATOM 345 N GLU A 25 0.985 -5.469 3.083 1.00 0.00 N ATOM 346 CA GLU A 25 1.693 -4.333 2.585 1.00 0.00 C ATOM 347 C GLU A 25 3.172 -4.545 2.741 1.00 0.00 C ATOM 348 O GLU A 25 3.654 -4.949 3.800 1.00 0.00 O ATOM 349 CB GLU A 25 1.250 -3.059 3.306 1.00 0.00 C ATOM 350 CG GLU A 25 0.314 -2.193 2.476 1.00 0.00 C ATOM 351 CD GLU A 25 0.669 -0.720 2.542 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.862 -0.390 2.379 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.247 0.102 2.756 1.00 0.00 O ATOM 0 H GLU A 25 0.587 -5.339 4.013 1.00 0.00 H new ATOM 0 HA GLU A 25 1.465 -4.214 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.752 -3.331 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.131 -2.476 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.344 -2.524 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.709 -2.332 2.825 1.00 0.00 H new ATOM 360 N ASP A 26 3.882 -4.252 1.681 1.00 0.00 N ATOM 361 CA ASP A 26 5.319 -4.371 1.649 1.00 0.00 C ATOM 362 C ASP A 26 5.798 -5.805 1.377 1.00 0.00 C ATOM 363 O ASP A 26 5.058 -6.621 0.840 1.00 0.00 O ATOM 364 CB ASP A 26 5.915 -3.839 2.942 1.00 0.00 C ATOM 365 CG ASP A 26 7.173 -3.024 2.723 1.00 0.00 C ATOM 366 OD1 ASP A 26 8.252 -3.630 2.554 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.081 -1.778 2.720 1.00 0.00 O ATOM 0 H ASP A 26 3.475 -3.921 0.806 1.00 0.00 H new ATOM 0 HA ASP A 26 5.671 -3.768 0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.174 -3.223 3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.141 -4.676 3.603 1.00 0.00 H new ATOM 372 N TYR A 27 7.046 -6.091 1.776 1.00 0.00 N ATOM 373 CA TYR A 27 7.676 -7.410 1.617 1.00 0.00 C ATOM 374 C TYR A 27 9.037 -7.280 0.957 1.00 0.00 C ATOM 375 O TYR A 27 10.051 -7.235 1.642 1.00 0.00 O ATOM 376 CB TYR A 27 6.826 -8.399 0.819 1.00 0.00 C ATOM 377 CG TYR A 27 7.585 -9.649 0.418 1.00 0.00 C ATOM 378 CD1 TYR A 27 7.994 -10.574 1.371 1.00 0.00 C ATOM 379 CD2 TYR A 27 7.896 -9.899 -0.913 1.00 0.00 C ATOM 380 CE1 TYR A 27 8.687 -11.712 1.009 1.00 0.00 C ATOM 381 CE2 TYR A 27 8.589 -11.036 -1.282 1.00 0.00 C ATOM 382 CZ TYR A 27 8.983 -11.940 -0.318 1.00 0.00 C ATOM 383 OH TYR A 27 9.674 -13.072 -0.682 1.00 0.00 O ATOM 0 H TYR A 27 7.653 -5.405 2.224 1.00 0.00 H new ATOM 0 HA TYR A 27 7.781 -7.809 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.957 -8.684 1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.451 -7.906 -0.078 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.766 -10.400 2.412 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.591 -9.193 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.996 -12.421 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.821 -11.216 -2.321 1.00 0.00 H new ATOM 0 HH TYR A 27 9.799 -13.080 -1.654 1.00 0.00 H new ATOM 393 N ARG A 28 9.061 -7.228 -0.371 1.00 0.00 N ATOM 394 CA ARG A 28 10.321 -7.117 -1.099 1.00 0.00 C ATOM 395 C ARG A 28 10.558 -5.696 -1.603 1.00 0.00 C ATOM 396 O ARG A 28 11.535 -5.052 -1.225 1.00 0.00 O ATOM 397 CB ARG A 28 10.341 -8.098 -2.273 1.00 0.00 C ATOM 398 CG ARG A 28 11.342 -9.228 -2.102 1.00 0.00 C ATOM 399 CD ARG A 28 11.859 -9.728 -3.442 1.00 0.00 C ATOM 400 NE ARG A 28 11.636 -11.163 -3.614 1.00 0.00 N ATOM 401 CZ ARG A 28 11.940 -11.833 -4.723 1.00 0.00 C ATOM 402 NH1 ARG A 28 12.470 -11.203 -5.763 1.00 0.00 N ATOM 403 NH2 ARG A 28 11.709 -13.137 -4.793 1.00 0.00 N ATOM 0 H ARG A 28 8.230 -7.261 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 28 11.125 -7.364 -0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.345 -8.522 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.573 -7.553 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.179 -8.884 -1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.873 -10.051 -1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.364 -9.185 -4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.925 -9.515 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 28 11.223 -11.681 -2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.647 -10.200 -5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.701 -11.722 -6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.299 -13.626 -3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.942 -13.651 -5.643 1.00 0.00 H new ATOM 417 N ALA A 29 9.673 -5.221 -2.473 1.00 0.00 N ATOM 418 CA ALA A 29 9.813 -3.882 -3.039 1.00 0.00 C ATOM 419 C ALA A 29 8.792 -2.913 -2.457 1.00 0.00 C ATOM 420 O ALA A 29 8.395 -1.948 -3.110 1.00 0.00 O ATOM 421 CB ALA A 29 9.688 -3.936 -4.555 1.00 0.00 C ATOM 0 H ALA A 29 8.857 -5.738 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 29 10.804 -3.513 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.794 -2.932 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.469 -4.578 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.711 -4.337 -4.825 1.00 0.00 H new ATOM 427 N GLY A 30 8.380 -3.168 -1.223 1.00 0.00 N ATOM 428 CA GLY A 30 7.417 -2.301 -0.572 1.00 0.00 C ATOM 429 C GLY A 30 6.034 -2.385 -1.183 1.00 0.00 C ATOM 430 O GLY A 30 5.229 -1.464 -1.036 1.00 0.00 O ATOM 0 H GLY A 30 8.695 -3.959 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.357 -2.563 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.770 -1.271 -0.626 1.00 0.00 H new ATOM 434 N ASP A 31 5.750 -3.486 -1.869 1.00 0.00 N ATOM 435 CA ASP A 31 4.447 -3.676 -2.498 1.00 0.00 C ATOM 436 C ASP A 31 3.594 -4.647 -1.687 1.00 0.00 C ATOM 437 O ASP A 31 3.863 -4.892 -0.520 1.00 0.00 O ATOM 438 CB ASP A 31 4.598 -4.160 -3.946 1.00 0.00 C ATOM 439 CG ASP A 31 5.997 -3.952 -4.498 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.953 -4.508 -3.917 1.00 0.00 O ATOM 441 OD2 ASP A 31 6.136 -3.233 -5.509 1.00 0.00 O ATOM 0 H ASP A 31 6.402 -4.259 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 31 3.940 -2.712 -2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.347 -5.219 -3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.882 -3.632 -4.576 1.00 0.00 H new ATOM 446 N MET A 32 2.554 -5.198 -2.318 1.00 0.00 N ATOM 447 CA MET A 32 1.652 -6.128 -1.645 1.00 0.00 C ATOM 448 C MET A 32 2.091 -7.582 -1.804 1.00 0.00 C ATOM 449 O MET A 32 2.215 -8.100 -2.909 1.00 0.00 O ATOM 450 CB MET A 32 0.242 -5.944 -2.187 1.00 0.00 C ATOM 451 CG MET A 32 -0.332 -4.563 -1.912 1.00 0.00 C ATOM 452 SD MET A 32 -2.134 -4.536 -1.949 1.00 0.00 S ATOM 453 CE MET A 32 -2.518 -5.692 -0.637 1.00 0.00 C ATOM 0 H MET A 32 2.318 -5.015 -3.293 1.00 0.00 H new ATOM 0 HA MET A 32 1.677 -5.903 -0.579 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.248 -6.120 -3.263 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.411 -6.696 -1.744 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.012 -4.219 -0.937 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.053 -3.861 -2.652 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.920 -6.609 -1.067 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.611 -5.921 -0.077 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.256 -5.251 0.032 1.00 0.00 H new ATOM 463 N ILE A 33 2.363 -8.213 -0.680 1.00 0.00 N ATOM 464 CA ILE A 33 2.838 -9.586 -0.628 1.00 0.00 C ATOM 465 C ILE A 33 1.740 -10.551 -0.199 1.00 0.00 C ATOM 466 O ILE A 33 1.135 -10.384 0.853 1.00 0.00 O ATOM 467 CB ILE A 33 4.007 -9.615 0.375 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.933 -10.806 0.163 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.487 -9.585 1.800 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.213 -12.110 0.002 1.00 0.00 C ATOM 0 H ILE A 33 2.260 -7.782 0.239 1.00 0.00 H new ATOM 0 HA ILE A 33 3.157 -9.909 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 33 4.602 -8.719 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.543 -10.627 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.614 -10.880 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.327 -9.606 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.909 -8.674 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.851 -10.453 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.938 -12.910 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.624 -12.313 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.552 -12.056 -0.863 1.00 0.00 H new ATOM 482 N CYS A 34 1.506 -11.583 -0.998 1.00 0.00 N ATOM 483 CA CYS A 34 0.510 -12.581 -0.651 1.00 0.00 C ATOM 484 C CYS A 34 1.188 -13.686 0.128 1.00 0.00 C ATOM 485 O CYS A 34 1.790 -14.560 -0.471 1.00 0.00 O ATOM 486 CB CYS A 34 -0.140 -13.182 -1.891 1.00 0.00 C ATOM 487 SG CYS A 34 -1.465 -14.353 -1.522 1.00 0.00 S ATOM 0 H CYS A 34 1.988 -11.748 -1.882 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.268 -12.099 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.540 -12.377 -2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.624 -13.686 -2.483 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.054 -14.704 -2.627 1.00 0.00 H new ATOM 493 N PRO A 35 1.094 -13.671 1.468 1.00 0.00 N ATOM 494 CA PRO A 35 1.721 -14.680 2.329 1.00 0.00 C ATOM 495 C PRO A 35 1.559 -16.111 1.823 1.00 0.00 C ATOM 496 O PRO A 35 2.239 -17.020 2.296 1.00 0.00 O ATOM 497 CB PRO A 35 1.002 -14.502 3.680 1.00 0.00 C ATOM 498 CG PRO A 35 -0.077 -13.495 3.442 1.00 0.00 C ATOM 499 CD PRO A 35 0.364 -12.682 2.260 1.00 0.00 C ATOM 0 HA PRO A 35 2.800 -14.535 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.584 -15.447 4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.694 -14.158 4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.030 -13.985 3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.220 -12.863 4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.482 -12.265 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.998 -11.845 2.554 1.00 0.00 H new ATOM 507 N GLU A 36 0.658 -16.315 0.873 1.00 0.00 N ATOM 508 CA GLU A 36 0.412 -17.640 0.334 1.00 0.00 C ATOM 509 C GLU A 36 1.348 -17.941 -0.826 1.00 0.00 C ATOM 510 O GLU A 36 2.226 -18.789 -0.719 1.00 0.00 O ATOM 511 CB GLU A 36 -1.042 -17.756 -0.106 1.00 0.00 C ATOM 512 CG GLU A 36 -1.971 -18.218 1.000 1.00 0.00 C ATOM 513 CD GLU A 36 -1.916 -19.714 1.219 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.846 -20.218 1.620 1.00 0.00 O ATOM 515 OE2 GLU A 36 -2.944 -20.382 0.988 1.00 0.00 O ATOM 0 H GLU A 36 0.086 -15.578 0.461 1.00 0.00 H new ATOM 0 HA GLU A 36 0.607 -18.374 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.381 -16.788 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.107 -18.455 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.708 -17.709 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.993 -17.928 0.756 1.00 0.00 H new ATOM 522 N CYS A 37 1.214 -17.194 -1.910 1.00 0.00 N ATOM 523 CA CYS A 37 2.106 -17.368 -3.052 1.00 0.00 C ATOM 524 C CYS A 37 3.274 -16.432 -2.870 1.00 0.00 C ATOM 525 O CYS A 37 4.344 -16.615 -3.442 1.00 0.00 O ATOM 526 CB CYS A 37 1.402 -17.061 -4.382 1.00 0.00 C ATOM 527 SG CYS A 37 0.387 -15.563 -4.368 1.00 0.00 S ATOM 0 H CYS A 37 0.506 -16.469 -2.026 1.00 0.00 H new ATOM 0 HA CYS A 37 2.432 -18.407 -3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.156 -16.966 -5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.771 -17.909 -4.649 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.664 -15.758 -3.628 1.00 0.00 H new ATOM 533 N GLY A 38 3.023 -15.424 -2.054 1.00 0.00 N ATOM 534 CA GLY A 38 3.990 -14.416 -1.745 1.00 0.00 C ATOM 535 C GLY A 38 4.267 -13.527 -2.929 1.00 0.00 C ATOM 536 O GLY A 38 5.405 -13.130 -3.182 1.00 0.00 O ATOM 0 H GLY A 38 2.126 -15.291 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.632 -13.811 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.917 -14.889 -1.420 1.00 0.00 H new ATOM 540 N LEU A 39 3.205 -13.229 -3.656 1.00 0.00 N ATOM 541 CA LEU A 39 3.284 -12.395 -4.838 1.00 0.00 C ATOM 542 C LEU A 39 3.336 -10.927 -4.457 1.00 0.00 C ATOM 543 O LEU A 39 2.706 -10.507 -3.486 1.00 0.00 O ATOM 544 CB LEU A 39 2.081 -12.661 -5.754 1.00 0.00 C ATOM 545 CG LEU A 39 0.887 -11.711 -5.575 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.730 -10.820 -6.791 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.393 -12.488 -5.318 1.00 0.00 C ATOM 0 H LEU A 39 2.264 -13.559 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 39 4.200 -12.644 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.416 -12.603 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.738 -13.682 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 39 1.083 -11.083 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.121 -10.154 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.635 -10.228 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.562 -11.436 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.223 -11.792 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.594 -13.147 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.281 -13.083 -4.412 1.00 0.00 H new ATOM 559 N VAL A 40 4.099 -10.168 -5.225 1.00 0.00 N ATOM 560 CA VAL A 40 4.260 -8.749 -4.995 1.00 0.00 C ATOM 561 C VAL A 40 3.462 -7.961 -6.023 1.00 0.00 C ATOM 562 O VAL A 40 3.785 -7.978 -7.211 1.00 0.00 O ATOM 563 CB VAL A 40 5.745 -8.357 -5.082 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.936 -6.887 -4.769 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.572 -9.221 -4.146 1.00 0.00 C ATOM 0 H VAL A 40 4.623 -10.522 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 40 3.891 -8.516 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 40 6.087 -8.527 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.994 -6.635 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.373 -6.287 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.578 -6.680 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.621 -8.934 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.226 -9.082 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.463 -10.269 -4.426 1.00 0.00 H new ATOM 575 N VAL A 41 2.422 -7.265 -5.573 1.00 0.00 N ATOM 576 CA VAL A 41 1.600 -6.479 -6.481 1.00 0.00 C ATOM 577 C VAL A 41 1.826 -4.989 -6.265 1.00 0.00 C ATOM 578 O VAL A 41 1.825 -4.507 -5.132 1.00 0.00 O ATOM 579 CB VAL A 41 0.083 -6.744 -6.330 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.614 -6.599 -7.674 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.210 -8.105 -5.735 1.00 0.00 C ATOM 0 H VAL A 41 2.132 -7.230 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 41 1.909 -6.788 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.305 -5.998 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.681 -6.788 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.466 -5.588 -8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.196 -7.317 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.288 -8.241 -5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.204 -8.881 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.243 -8.175 -4.746 1.00 0.00 H new ATOM 591 N GLY A 42 2.007 -4.260 -7.356 1.00 0.00 N ATOM 592 CA GLY A 42 2.217 -2.835 -7.263 1.00 0.00 C ATOM 593 C GLY A 42 3.635 -2.444 -7.567 1.00 0.00 C ATOM 594 O GLY A 42 4.562 -3.239 -7.418 1.00 0.00 O ATOM 0 H GLY A 42 2.012 -4.633 -8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.546 -2.326 -7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.957 -2.497 -6.260 1.00 0.00 H new ATOM 598 N ASP A 43 3.800 -1.212 -7.992 1.00 0.00 N ATOM 599 CA ASP A 43 5.104 -0.687 -8.322 1.00 0.00 C ATOM 600 C ASP A 43 4.965 0.724 -8.863 1.00 0.00 C ATOM 601 O ASP A 43 3.876 1.298 -8.851 1.00 0.00 O ATOM 602 CB ASP A 43 5.806 -1.577 -9.354 1.00 0.00 C ATOM 603 CG ASP A 43 7.266 -1.811 -9.017 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.544 -2.626 -8.115 1.00 0.00 O ATOM 605 OD2 ASP A 43 8.131 -1.176 -9.657 1.00 0.00 O ATOM 0 H ASP A 43 3.036 -0.548 -8.118 1.00 0.00 H new ATOM 0 HA ASP A 43 5.711 -0.671 -7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.291 -2.536 -9.413 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.733 -1.115 -10.338 1.00 0.00 H new ATOM 610 N ARG A 44 6.070 1.279 -9.348 1.00 0.00 N ATOM 611 CA ARG A 44 6.072 2.627 -9.911 1.00 0.00 C ATOM 612 C ARG A 44 5.494 3.640 -8.925 1.00 0.00 C ATOM 613 O ARG A 44 4.280 3.709 -8.730 1.00 0.00 O ATOM 614 CB ARG A 44 5.270 2.661 -11.215 1.00 0.00 C ATOM 615 CG ARG A 44 5.501 1.453 -12.113 1.00 0.00 C ATOM 616 CD ARG A 44 4.309 1.200 -13.021 1.00 0.00 C ATOM 617 NE ARG A 44 4.073 -0.229 -13.230 1.00 0.00 N ATOM 618 CZ ARG A 44 3.446 -1.013 -12.355 1.00 0.00 C ATOM 619 NH1 ARG A 44 2.996 -0.517 -11.211 1.00 0.00 N ATOM 620 NH2 ARG A 44 3.271 -2.299 -12.627 1.00 0.00 N ATOM 0 H ARG A 44 6.979 0.816 -9.363 1.00 0.00 H new ATOM 0 HA ARG A 44 7.107 2.899 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.209 2.726 -10.976 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.528 3.565 -11.766 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.393 1.613 -12.718 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.686 0.572 -11.499 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.419 1.655 -12.586 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.477 1.684 -13.983 1.00 0.00 H new ATOM 0 HE ARG A 44 4.408 -0.649 -14.097 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.129 0.471 -10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.517 -1.124 -10.546 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.616 -2.686 -13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.791 -2.901 -11.958 1.00 0.00 H new ATOM 634 N VAL A 45 6.369 4.428 -8.308 1.00 0.00 N ATOM 635 CA VAL A 45 5.943 5.437 -7.348 1.00 0.00 C ATOM 636 C VAL A 45 5.756 6.791 -8.022 1.00 0.00 C ATOM 637 O VAL A 45 6.151 6.983 -9.173 1.00 0.00 O ATOM 638 CB VAL A 45 6.954 5.585 -6.196 1.00 0.00 C ATOM 639 CG1 VAL A 45 6.891 4.379 -5.273 1.00 0.00 C ATOM 640 CG2 VAL A 45 8.359 5.778 -6.743 1.00 0.00 C ATOM 0 H VAL A 45 7.377 4.386 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 45 4.990 5.100 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 45 6.692 6.469 -5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.612 4.501 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.888 4.293 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.127 3.477 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.061 5.881 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.636 4.915 -7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.390 6.677 -7.358 1.00 0.00 H new ATOM 650 N ILE A 46 5.152 7.730 -7.301 1.00 0.00 N ATOM 651 CA ILE A 46 4.914 9.067 -7.831 1.00 0.00 C ATOM 652 C ILE A 46 5.583 10.129 -6.967 1.00 0.00 C ATOM 653 O ILE A 46 5.682 9.982 -5.747 1.00 0.00 O ATOM 654 CB ILE A 46 3.407 9.374 -7.927 1.00 0.00 C ATOM 655 CG1 ILE A 46 2.751 9.268 -6.549 1.00 0.00 C ATOM 656 CG2 ILE A 46 2.736 8.429 -8.913 1.00 0.00 C ATOM 657 CD1 ILE A 46 1.343 9.821 -6.507 1.00 0.00 C ATOM 0 H ILE A 46 4.818 7.589 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 46 5.347 9.091 -8.831 1.00 0.00 H new ATOM 0 HB ILE A 46 3.283 10.395 -8.289 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.731 8.222 -6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.364 9.800 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.672 8.658 -8.970 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.187 8.551 -9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.868 7.400 -8.578 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.940 9.713 -5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.358 10.876 -6.781 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.716 9.273 -7.210 1.00 0.00 H new ATOM 669 N ASP A 47 6.042 11.200 -7.605 1.00 0.00 N ATOM 670 CA ASP A 47 6.700 12.291 -6.895 1.00 0.00 C ATOM 671 C ASP A 47 5.920 13.593 -7.053 1.00 0.00 C ATOM 672 O ASP A 47 6.496 14.679 -6.999 1.00 0.00 O ATOM 673 CB ASP A 47 8.131 12.469 -7.410 1.00 0.00 C ATOM 674 CG ASP A 47 9.171 12.098 -6.370 1.00 0.00 C ATOM 675 OD1 ASP A 47 9.413 12.912 -5.455 1.00 0.00 O ATOM 676 OD2 ASP A 47 9.742 10.991 -6.471 1.00 0.00 O ATOM 0 H ASP A 47 5.971 11.336 -8.613 1.00 0.00 H new ATOM 0 HA ASP A 47 6.732 12.038 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.274 11.853 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.279 13.505 -7.714 1.00 0.00 H new ATOM 681 N VAL A 48 4.608 13.472 -7.248 1.00 0.00 N ATOM 682 CA VAL A 48 3.732 14.631 -7.414 1.00 0.00 C ATOM 683 C VAL A 48 4.280 15.610 -8.456 1.00 0.00 C ATOM 684 O VAL A 48 5.339 15.382 -9.042 1.00 0.00 O ATOM 685 CB VAL A 48 3.491 15.356 -6.064 1.00 0.00 C ATOM 686 CG1 VAL A 48 4.493 16.482 -5.825 1.00 0.00 C ATOM 687 CG2 VAL A 48 2.068 15.887 -5.997 1.00 0.00 C ATOM 0 H VAL A 48 4.125 12.575 -7.295 1.00 0.00 H new ATOM 0 HA VAL A 48 2.775 14.256 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 48 3.638 14.622 -5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.283 16.959 -4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.503 16.073 -5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.409 17.219 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.913 16.393 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.903 16.591 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.366 15.058 -6.086 1.00 0.00 H new ATOM 697 N GLY A 49 3.550 16.698 -8.680 1.00 0.00 N ATOM 698 CA GLY A 49 3.976 17.691 -9.649 1.00 0.00 C ATOM 699 C GLY A 49 3.927 19.100 -9.093 1.00 0.00 C ATOM 700 O GLY A 49 3.191 19.948 -9.597 1.00 0.00 O ATOM 0 H GLY A 49 2.671 16.910 -8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.992 17.466 -9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.340 17.629 -10.532 1.00 0.00 H new ATOM 704 N SER A 50 4.712 19.349 -8.048 1.00 0.00 N ATOM 705 CA SER A 50 4.755 20.665 -7.422 1.00 0.00 C ATOM 706 C SER A 50 3.386 21.047 -6.865 1.00 0.00 C ATOM 707 O SER A 50 2.755 21.994 -7.337 1.00 0.00 O ATOM 708 CB SER A 50 5.227 21.718 -8.426 1.00 0.00 C ATOM 709 OG SER A 50 5.037 23.028 -7.919 1.00 0.00 O ATOM 0 H SER A 50 5.326 18.657 -7.618 1.00 0.00 H new ATOM 0 HA SER A 50 5.464 20.624 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.282 21.562 -8.653 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.680 21.604 -9.362 1.00 0.00 H new ATOM 0 HG SER A 50 4.085 23.174 -7.740 1.00 0.00 H new ATOM 715 N GLU A 51 2.934 20.305 -5.861 1.00 0.00 N ATOM 716 CA GLU A 51 1.640 20.566 -5.240 1.00 0.00 C ATOM 717 C GLU A 51 1.762 21.582 -4.103 1.00 0.00 C ATOM 718 O GLU A 51 0.794 21.849 -3.394 1.00 0.00 O ATOM 719 CB GLU A 51 1.036 19.265 -4.710 1.00 0.00 C ATOM 720 CG GLU A 51 -0.445 19.369 -4.384 1.00 0.00 C ATOM 721 CD GLU A 51 -0.818 18.616 -3.122 1.00 0.00 C ATOM 722 OE1 GLU A 51 -0.626 19.172 -2.019 1.00 0.00 O ATOM 723 OE2 GLU A 51 -1.302 17.470 -3.235 1.00 0.00 O ATOM 0 H GLU A 51 3.444 19.518 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 51 0.984 20.986 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.182 18.479 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.576 18.962 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.715 20.419 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.026 18.980 -5.220 1.00 0.00 H new ATOM 730 N TRP A 52 2.958 22.145 -3.934 1.00 0.00 N ATOM 731 CA TRP A 52 3.200 23.130 -2.885 1.00 0.00 C ATOM 732 C TRP A 52 2.970 22.524 -1.502 1.00 0.00 C ATOM 733 O TRP A 52 3.915 22.109 -0.832 1.00 0.00 O ATOM 734 CB TRP A 52 2.300 24.352 -3.084 1.00 0.00 C ATOM 735 CG TRP A 52 2.754 25.249 -4.194 1.00 0.00 C ATOM 736 CD1 TRP A 52 2.665 25.005 -5.534 1.00 0.00 C ATOM 737 CD2 TRP A 52 3.372 26.535 -4.059 1.00 0.00 C ATOM 738 NE1 TRP A 52 3.187 26.062 -6.240 1.00 0.00 N ATOM 739 CE2 TRP A 52 3.627 27.012 -5.358 1.00 0.00 C ATOM 740 CE3 TRP A 52 3.731 27.328 -2.966 1.00 0.00 C ATOM 741 CZ2 TRP A 52 4.227 28.247 -5.593 1.00 0.00 C ATOM 742 CZ3 TRP A 52 4.326 28.554 -3.201 1.00 0.00 C ATOM 743 CH2 TRP A 52 4.569 29.003 -4.504 1.00 0.00 C ATOM 0 H TRP A 52 3.773 21.935 -4.511 1.00 0.00 H new ATOM 0 HA TRP A 52 4.241 23.445 -2.950 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.284 24.016 -3.291 1.00 0.00 H new ATOM 0 HB3 TRP A 52 2.265 24.923 -2.156 1.00 0.00 H new ATOM 0 HD1 TRP A 52 2.246 24.112 -5.975 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.238 26.128 -7.257 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.547 26.990 -1.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.416 28.595 -6.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.608 29.176 -2.364 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.036 29.965 -4.654 1.00 0.00 H new ATOM 754 N ARG A 53 1.708 22.476 -1.078 1.00 0.00 N ATOM 755 CA ARG A 53 1.360 21.920 0.227 1.00 0.00 C ATOM 756 C ARG A 53 2.135 22.614 1.343 1.00 0.00 C ATOM 757 O ARG A 53 3.286 22.275 1.616 1.00 0.00 O ATOM 758 CB ARG A 53 1.640 20.417 0.254 1.00 0.00 C ATOM 759 CG ARG A 53 0.719 19.644 1.185 1.00 0.00 C ATOM 760 CD ARG A 53 0.795 20.173 2.607 1.00 0.00 C ATOM 761 NE ARG A 53 -0.079 19.430 3.515 1.00 0.00 N ATOM 762 CZ ARG A 53 -0.452 19.875 4.712 1.00 0.00 C ATOM 763 NH1 ARG A 53 -0.033 21.055 5.151 1.00 0.00 N ATOM 764 NH2 ARG A 53 -1.249 19.136 5.474 1.00 0.00 N ATOM 0 H ARG A 53 0.912 22.815 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 53 0.296 22.089 0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.540 20.019 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.673 20.254 0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.307 19.714 0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.990 18.588 1.173 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.824 20.111 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.517 21.227 2.617 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.422 18.518 3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.579 21.627 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.323 21.390 6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.575 18.228 5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.536 19.476 6.392 1.00 0.00 H new ATOM 778 N THR A 54 1.496 23.589 1.983 1.00 0.00 N ATOM 779 CA THR A 54 2.127 24.329 3.068 1.00 0.00 C ATOM 780 C THR A 54 1.126 24.617 4.184 1.00 0.00 C ATOM 781 O THR A 54 -0.024 24.968 3.924 1.00 0.00 O ATOM 782 CB THR A 54 2.714 25.641 2.545 1.00 0.00 C ATOM 783 OG1 THR A 54 3.416 25.427 1.334 1.00 0.00 O ATOM 784 CG2 THR A 54 3.667 26.300 3.518 1.00 0.00 C ATOM 0 H THR A 54 0.543 23.884 1.769 1.00 0.00 H new ATOM 0 HA THR A 54 2.931 23.715 3.473 1.00 0.00 H new ATOM 0 HB THR A 54 1.860 26.301 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.783 26.277 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.047 27.225 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.142 26.523 4.447 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.500 25.627 3.724 1.00 0.00 H new ATOM 792 N PHE A 55 1.574 24.465 5.427 1.00 0.00 N ATOM 793 CA PHE A 55 0.718 24.708 6.582 1.00 0.00 C ATOM 794 C PHE A 55 0.275 26.168 6.633 1.00 0.00 C ATOM 795 O PHE A 55 0.868 26.984 7.337 1.00 0.00 O ATOM 796 CB PHE A 55 1.438 24.327 7.881 1.00 0.00 C ATOM 797 CG PHE A 55 2.844 24.855 7.986 1.00 0.00 C ATOM 798 CD1 PHE A 55 3.912 24.127 7.485 1.00 0.00 C ATOM 799 CD2 PHE A 55 3.098 26.076 8.590 1.00 0.00 C ATOM 800 CE1 PHE A 55 5.204 24.606 7.583 1.00 0.00 C ATOM 801 CE2 PHE A 55 4.388 26.561 8.692 1.00 0.00 C ATOM 802 CZ PHE A 55 5.443 25.825 8.187 1.00 0.00 C ATOM 0 H PHE A 55 2.524 24.175 5.659 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.168 24.082 6.480 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.859 24.698 8.726 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.463 23.240 7.964 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.732 23.173 7.012 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.277 26.656 8.986 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.026 24.028 7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.571 27.514 9.166 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.452 26.202 8.264 1.00 0.00 H new ATOM 812 N SER A 56 -0.770 26.489 5.879 1.00 0.00 N ATOM 813 CA SER A 56 -1.293 27.851 5.838 1.00 0.00 C ATOM 814 C SER A 56 -0.225 28.829 5.359 1.00 0.00 C ATOM 815 O SER A 56 0.967 28.524 5.385 1.00 0.00 O ATOM 816 CB SER A 56 -1.802 28.267 7.218 1.00 0.00 C ATOM 817 OG SER A 56 -2.764 27.348 7.707 1.00 0.00 O ATOM 0 H SER A 56 -1.272 25.826 5.288 1.00 0.00 H new ATOM 0 HA SER A 56 -2.123 27.874 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.966 28.327 7.914 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.242 29.263 7.162 1.00 0.00 H new ATOM 0 HG SER A 56 -3.072 27.636 8.592 1.00 0.00 H new ATOM 823 N ASN A 57 -0.659 30.007 4.925 1.00 0.00 N ATOM 824 CA ASN A 57 0.259 31.032 4.441 1.00 0.00 C ATOM 825 C ASN A 57 0.389 32.166 5.452 1.00 0.00 C ATOM 826 O ASN A 57 -0.608 32.676 5.960 1.00 0.00 O ATOM 827 CB ASN A 57 -0.219 31.582 3.097 1.00 0.00 C ATOM 828 CG ASN A 57 0.928 31.846 2.140 1.00 0.00 C ATOM 829 OD1 ASN A 57 2.030 31.328 2.316 1.00 0.00 O ATOM 830 ND2 ASN A 57 0.673 32.657 1.120 1.00 0.00 N ATOM 0 H ASN A 57 -1.642 30.276 4.898 1.00 0.00 H new ATOM 0 HA ASN A 57 1.239 30.574 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.912 30.873 2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.772 32.507 3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.406 32.872 0.444 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.256 33.065 1.012 1.00 0.00 H new ATOM 837 N ASP A 58 1.628 32.557 5.739 1.00 0.00 N ATOM 838 CA ASP A 58 1.888 33.631 6.689 1.00 0.00 C ATOM 839 C ASP A 58 2.144 34.949 5.963 1.00 0.00 C ATOM 840 O ASP A 58 1.682 36.006 6.392 1.00 0.00 O ATOM 841 CB ASP A 58 3.087 33.281 7.571 1.00 0.00 C ATOM 842 CG ASP A 58 2.887 33.706 9.014 1.00 0.00 C ATOM 843 OD1 ASP A 58 2.348 32.899 9.801 1.00 0.00 O ATOM 844 OD2 ASP A 58 3.271 34.843 9.356 1.00 0.00 O ATOM 0 H ASP A 58 2.466 32.146 5.327 1.00 0.00 H new ATOM 0 HA ASP A 58 1.005 33.748 7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.261 32.206 7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.980 33.763 7.173 1.00 0.00 H new ATOM 849 N LYS A 59 2.883 34.877 4.861 1.00 0.00 N ATOM 850 CA LYS A 59 3.199 36.064 4.074 1.00 0.00 C ATOM 851 C LYS A 59 2.127 36.319 3.019 1.00 0.00 C ATOM 852 O LYS A 59 1.002 35.804 3.185 1.00 0.00 O ATOM 853 CB LYS A 59 4.566 35.905 3.403 1.00 0.00 C ATOM 854 CG LYS A 59 5.707 36.521 4.197 1.00 0.00 C ATOM 855 CD LYS A 59 6.897 35.578 4.291 1.00 0.00 C ATOM 856 CE LYS A 59 6.698 34.534 5.379 1.00 0.00 C ATOM 857 NZ LYS A 59 6.360 33.199 4.813 1.00 0.00 N ATOM 0 H LYS A 59 3.274 34.010 4.493 1.00 0.00 H new ATOM 0 HA LYS A 59 3.229 36.920 4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.768 34.844 3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.532 36.364 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.017 37.453 3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.360 36.771 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.045 35.082 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.801 36.151 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.606 34.455 5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.901 34.856 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.497 32.469 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.368 33.195 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.979 32.999 4.001 1.00 0.00 H new TER 871 LYS A 59