USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 CYS SG : rot 45:sc= -0.609 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 16 MET CE :methyl -148:sc= -0.136 (180deg=-1.58) USER MOD Single : A 18 GLN : amide:sc= -0.0205 K(o=-0.021,f=-0.86) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -3.54! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0595 K(o=-0.059,f=-3.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -25:sc= 0.00593 USER MOD Single : A 46 SER OG : rot 21:sc= 0.802 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.491) USER MOD Single : A 60 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 6.984 -5.047 -8.796 1.00 0.00 N ATOM 42 CA LEU A 4 7.946 -6.133 -8.952 1.00 0.00 C ATOM 43 C LEU A 4 9.286 -5.605 -9.457 1.00 0.00 C ATOM 44 O LEU A 4 9.413 -5.216 -10.618 1.00 0.00 O ATOM 45 CB LEU A 4 7.404 -7.187 -9.919 1.00 0.00 C ATOM 46 CG LEU A 4 6.146 -7.929 -9.465 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.547 -8.719 -10.618 1.00 0.00 C ATOM 48 CD2 LEU A 4 6.463 -8.849 -8.295 1.00 0.00 C ATOM 0 HA LEU A 4 8.101 -6.591 -7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.192 -6.702 -10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.189 -7.921 -10.102 1.00 0.00 H new ATOM 0 HG LEU A 4 5.413 -7.193 -9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.653 -9.240 -10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.283 -8.038 -11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.275 -9.446 -10.978 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.557 -9.369 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.214 -9.578 -8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.846 -8.260 -7.462 1.00 0.00 H new ATOM 60 N ARG A 5 10.282 -5.597 -8.578 1.00 0.00 N ATOM 61 CA ARG A 5 11.612 -5.119 -8.935 1.00 0.00 C ATOM 62 C ARG A 5 12.665 -6.191 -8.668 1.00 0.00 C ATOM 63 O ARG A 5 12.536 -6.984 -7.736 1.00 0.00 O ATOM 64 CB ARG A 5 11.950 -3.851 -8.148 1.00 0.00 C ATOM 65 CG ARG A 5 11.735 -3.989 -6.650 1.00 0.00 C ATOM 66 CD ARG A 5 12.648 -3.058 -5.868 1.00 0.00 C ATOM 67 NE ARG A 5 12.085 -1.716 -5.742 1.00 0.00 N ATOM 68 CZ ARG A 5 11.138 -1.396 -4.867 1.00 0.00 C ATOM 69 NH1 ARG A 5 10.652 -2.315 -4.045 1.00 0.00 N ATOM 70 NH2 ARG A 5 10.676 -0.153 -4.813 1.00 0.00 N ATOM 0 H ARG A 5 10.193 -5.916 -7.613 1.00 0.00 H new ATOM 0 HA ARG A 5 11.614 -4.889 -10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.990 -3.584 -8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.339 -3.029 -8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.695 -3.768 -6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.920 -5.020 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.823 -3.472 -4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.617 -2.999 -6.364 1.00 0.00 H new ATOM 0 HE ARG A 5 12.438 -0.985 -6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.005 -3.271 -4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.925 -2.066 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.048 0.557 -5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.949 0.092 -4.141 1.00 0.00 H new ATOM 84 N VAL A 6 13.707 -6.208 -9.494 1.00 0.00 N ATOM 85 CA VAL A 6 14.782 -7.182 -9.348 1.00 0.00 C ATOM 86 C VAL A 6 15.472 -7.039 -7.996 1.00 0.00 C ATOM 87 O VAL A 6 15.876 -5.945 -7.605 1.00 0.00 O ATOM 88 CB VAL A 6 15.831 -7.031 -10.465 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.406 -5.623 -10.473 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.935 -8.065 -10.302 1.00 0.00 C ATOM 0 H VAL A 6 13.829 -5.558 -10.271 1.00 0.00 H new ATOM 0 HA VAL A 6 14.327 -8.170 -9.418 1.00 0.00 H new ATOM 0 HB VAL A 6 15.341 -7.203 -11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.145 -5.536 -11.269 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.605 -4.904 -10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.881 -5.418 -9.513 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.668 -7.944 -11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.423 -7.927 -9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.506 -9.066 -10.352 1.00 0.00 H new ATOM 100 N GLY A 7 15.604 -8.155 -7.284 1.00 0.00 N ATOM 101 CA GLY A 7 16.245 -8.133 -5.983 1.00 0.00 C ATOM 102 C GLY A 7 15.269 -8.381 -4.850 1.00 0.00 C ATOM 103 O GLY A 7 15.653 -8.393 -3.680 1.00 0.00 O ATOM 0 H GLY A 7 15.278 -9.073 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.029 -8.890 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.729 -7.167 -5.836 1.00 0.00 H new ATOM 107 N LEU A 8 14.001 -8.578 -5.197 1.00 0.00 N ATOM 108 CA LEU A 8 12.965 -8.825 -4.200 1.00 0.00 C ATOM 109 C LEU A 8 13.333 -10.011 -3.315 1.00 0.00 C ATOM 110 O LEU A 8 12.894 -10.102 -2.168 1.00 0.00 O ATOM 111 CB LEU A 8 11.622 -9.082 -4.885 1.00 0.00 C ATOM 112 CG LEU A 8 11.542 -10.336 -5.756 1.00 0.00 C ATOM 113 CD1 LEU A 8 10.140 -10.925 -5.716 1.00 0.00 C ATOM 114 CD2 LEU A 8 11.948 -10.019 -7.188 1.00 0.00 C ATOM 0 H LEU A 8 13.666 -8.571 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 8 12.881 -7.939 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.852 -9.148 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.381 -8.218 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 8 12.237 -11.076 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.102 -11.817 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.886 -11.191 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.426 -10.190 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.885 -10.924 -7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.279 -9.262 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.971 -9.644 -7.202 1.00 0.00 H new ATOM 126 N CYS A 9 14.142 -10.917 -3.854 1.00 0.00 N ATOM 127 CA CYS A 9 14.570 -12.098 -3.113 1.00 0.00 C ATOM 128 C CYS A 9 15.756 -12.769 -3.798 1.00 0.00 C ATOM 129 O CYS A 9 16.022 -12.558 -4.981 1.00 0.00 O ATOM 130 CB CYS A 9 13.414 -13.089 -2.980 1.00 0.00 C ATOM 131 SG CYS A 9 12.617 -13.082 -1.357 1.00 0.00 S ATOM 0 H CYS A 9 14.515 -10.856 -4.802 1.00 0.00 H new ATOM 0 HA CYS A 9 14.881 -11.780 -2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.667 -12.863 -3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.785 -14.093 -3.186 1.00 0.00 H new ATOM 0 HG CYS A 9 12.428 -11.855 -0.972 1.00 0.00 H new ATOM 137 N PRO A 10 16.488 -13.596 -3.037 1.00 0.00 N ATOM 138 CA PRO A 10 17.659 -14.314 -3.550 1.00 0.00 C ATOM 139 C PRO A 10 17.280 -15.406 -4.544 1.00 0.00 C ATOM 140 O PRO A 10 17.004 -16.542 -4.159 1.00 0.00 O ATOM 141 CB PRO A 10 18.277 -14.929 -2.291 1.00 0.00 C ATOM 142 CG PRO A 10 17.142 -15.055 -1.335 1.00 0.00 C ATOM 143 CD PRO A 10 16.230 -13.894 -1.619 1.00 0.00 C ATOM 0 HA PRO A 10 18.334 -13.655 -4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.725 -15.900 -2.504 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.066 -14.295 -1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.621 -16.003 -1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.496 -15.030 -0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.185 -14.152 -1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 10 16.457 -13.040 -0.981 1.00 0.00 H new ATOM 151 N GLY A 11 17.268 -15.055 -5.826 1.00 0.00 N ATOM 152 CA GLY A 11 16.921 -16.017 -6.856 1.00 0.00 C ATOM 153 C GLY A 11 16.286 -15.365 -8.069 1.00 0.00 C ATOM 154 O GLY A 11 16.636 -15.680 -9.207 1.00 0.00 O ATOM 0 H GLY A 11 17.492 -14.121 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.818 -16.554 -7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.234 -16.755 -6.443 1.00 0.00 H new ATOM 158 N LEU A 12 15.349 -14.455 -7.826 1.00 0.00 N ATOM 159 CA LEU A 12 14.662 -13.757 -8.908 1.00 0.00 C ATOM 160 C LEU A 12 15.622 -12.840 -9.660 1.00 0.00 C ATOM 161 O LEU A 12 16.439 -12.147 -9.054 1.00 0.00 O ATOM 162 CB LEU A 12 13.491 -12.945 -8.354 1.00 0.00 C ATOM 163 CG LEU A 12 12.176 -13.703 -8.168 1.00 0.00 C ATOM 164 CD1 LEU A 12 11.601 -14.112 -9.515 1.00 0.00 C ATOM 165 CD2 LEU A 12 12.385 -14.923 -7.283 1.00 0.00 C ATOM 0 H LEU A 12 15.048 -14.183 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 12 14.281 -14.503 -9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.787 -12.529 -7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.310 -12.103 -9.022 1.00 0.00 H new ATOM 0 HG LEU A 12 11.463 -13.041 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.665 -14.650 -9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.414 -13.222 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.311 -14.757 -10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.439 -15.451 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.114 -15.588 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.752 -14.606 -6.307 1.00 0.00 H new ATOM 177 N THR A 13 15.515 -12.840 -10.986 1.00 0.00 N ATOM 178 CA THR A 13 16.372 -12.008 -11.821 1.00 0.00 C ATOM 179 C THR A 13 15.566 -10.924 -12.526 1.00 0.00 C ATOM 180 O THR A 13 14.346 -11.026 -12.649 1.00 0.00 O ATOM 181 CB THR A 13 17.114 -12.849 -12.877 1.00 0.00 C ATOM 182 OG1 THR A 13 17.868 -11.993 -13.742 1.00 0.00 O ATOM 183 CG2 THR A 13 16.135 -13.673 -13.699 1.00 0.00 C ATOM 0 H THR A 13 14.843 -13.407 -11.504 1.00 0.00 H new ATOM 0 HA THR A 13 17.102 -11.542 -11.160 1.00 0.00 H new ATOM 0 HB THR A 13 17.790 -13.529 -12.359 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.338 -12.535 -14.410 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.683 -14.258 -14.438 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.583 -14.344 -13.041 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.437 -13.008 -14.208 1.00 0.00 H new ATOM 191 N GLU A 14 16.256 -9.886 -12.989 1.00 0.00 N ATOM 192 CA GLU A 14 15.602 -8.782 -13.682 1.00 0.00 C ATOM 193 C GLU A 14 14.858 -9.280 -14.917 1.00 0.00 C ATOM 194 O GLU A 14 13.871 -8.681 -15.343 1.00 0.00 O ATOM 195 CB GLU A 14 16.631 -7.724 -14.085 1.00 0.00 C ATOM 196 CG GLU A 14 17.741 -8.261 -14.973 1.00 0.00 C ATOM 197 CD GLU A 14 18.701 -7.178 -15.426 1.00 0.00 C ATOM 198 OE1 GLU A 14 18.777 -6.132 -14.747 1.00 0.00 O ATOM 199 OE2 GLU A 14 19.377 -7.376 -16.457 1.00 0.00 O ATOM 0 H GLU A 14 17.267 -9.787 -12.897 1.00 0.00 H new ATOM 0 HA GLU A 14 14.879 -8.335 -13.000 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.121 -6.913 -14.605 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.072 -7.297 -13.184 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.294 -9.029 -14.432 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.302 -8.741 -15.847 1.00 0.00 H new ATOM 206 N GLU A 15 15.339 -10.381 -15.487 1.00 0.00 N ATOM 207 CA GLU A 15 14.719 -10.959 -16.674 1.00 0.00 C ATOM 208 C GLU A 15 13.275 -11.362 -16.393 1.00 0.00 C ATOM 209 O GLU A 15 12.401 -11.218 -17.248 1.00 0.00 O ATOM 210 CB GLU A 15 15.516 -12.175 -17.152 1.00 0.00 C ATOM 211 CG GLU A 15 16.595 -11.835 -18.166 1.00 0.00 C ATOM 212 CD GLU A 15 16.030 -11.537 -19.541 1.00 0.00 C ATOM 213 OE1 GLU A 15 14.825 -11.785 -19.755 1.00 0.00 O ATOM 214 OE2 GLU A 15 16.795 -11.056 -20.404 1.00 0.00 O ATOM 0 H GLU A 15 16.155 -10.890 -15.146 1.00 0.00 H new ATOM 0 HA GLU A 15 14.720 -10.202 -17.458 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.978 -12.658 -16.291 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.830 -12.898 -17.593 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.160 -10.972 -17.814 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.296 -12.667 -18.238 1.00 0.00 H new ATOM 221 N MET A 16 13.032 -11.867 -15.188 1.00 0.00 N ATOM 222 CA MET A 16 11.694 -12.291 -14.793 1.00 0.00 C ATOM 223 C MET A 16 10.729 -11.109 -14.785 1.00 0.00 C ATOM 224 O MET A 16 9.620 -11.198 -15.311 1.00 0.00 O ATOM 225 CB MET A 16 11.730 -12.944 -13.410 1.00 0.00 C ATOM 226 CG MET A 16 11.606 -14.459 -13.449 1.00 0.00 C ATOM 227 SD MET A 16 9.892 -15.013 -13.538 1.00 0.00 S ATOM 228 CE MET A 16 9.704 -15.789 -11.934 1.00 0.00 C ATOM 0 H MET A 16 13.744 -11.993 -14.468 1.00 0.00 H new ATOM 0 HA MET A 16 11.341 -13.020 -15.522 1.00 0.00 H new ATOM 0 HB2 MET A 16 12.664 -12.677 -12.915 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.921 -12.537 -12.804 1.00 0.00 H new ATOM 0 HG2 MET A 16 12.153 -14.842 -14.310 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.075 -14.881 -12.560 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.005 -16.621 -12.012 1.00 0.00 H new ATOM 0 HE2 MET A 16 10.671 -16.159 -11.593 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.322 -15.060 -11.220 1.00 0.00 H new ATOM 238 N ILE A 17 11.160 -10.004 -14.185 1.00 0.00 N ATOM 239 CA ILE A 17 10.334 -8.805 -14.110 1.00 0.00 C ATOM 240 C ILE A 17 10.046 -8.249 -15.500 1.00 0.00 C ATOM 241 O ILE A 17 8.902 -7.933 -15.828 1.00 0.00 O ATOM 242 CB ILE A 17 11.007 -7.711 -13.260 1.00 0.00 C ATOM 243 CG1 ILE A 17 11.272 -8.226 -11.844 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.139 -6.462 -13.222 1.00 0.00 C ATOM 245 CD1 ILE A 17 12.725 -8.560 -11.585 1.00 0.00 C ATOM 0 H ILE A 17 12.075 -9.914 -13.744 1.00 0.00 H new ATOM 0 HA ILE A 17 9.396 -9.096 -13.636 1.00 0.00 H new ATOM 0 HB ILE A 17 11.962 -7.452 -13.717 1.00 0.00 H new ATOM 0 HG12 ILE A 17 10.947 -7.474 -11.126 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.666 -9.115 -11.670 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.628 -5.698 -12.618 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.996 -6.087 -14.235 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.170 -6.705 -12.786 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.839 -8.919 -10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.050 -9.335 -12.280 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.334 -7.667 -11.726 1.00 0.00 H new ATOM 257 N GLN A 18 11.091 -8.133 -16.313 1.00 0.00 N ATOM 258 CA GLN A 18 10.949 -7.615 -17.669 1.00 0.00 C ATOM 259 C GLN A 18 9.968 -8.461 -18.475 1.00 0.00 C ATOM 260 O GLN A 18 9.183 -7.935 -19.266 1.00 0.00 O ATOM 261 CB GLN A 18 12.308 -7.583 -18.370 1.00 0.00 C ATOM 262 CG GLN A 18 13.063 -6.278 -18.174 1.00 0.00 C ATOM 263 CD GLN A 18 14.563 -6.444 -18.314 1.00 0.00 C ATOM 264 OE1 GLN A 18 15.042 -7.452 -18.836 1.00 0.00 O ATOM 265 NE2 GLN A 18 15.315 -5.454 -17.847 1.00 0.00 N ATOM 0 H GLN A 18 12.044 -8.390 -16.057 1.00 0.00 H new ATOM 0 HA GLN A 18 10.557 -6.600 -17.604 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.919 -8.406 -17.998 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.161 -7.752 -19.437 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.713 -5.547 -18.903 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.836 -5.877 -17.186 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.876 -4.637 -17.422 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.331 -5.511 -17.913 1.00 0.00 H new ATOM 274 N LEU A 19 10.018 -9.772 -18.270 1.00 0.00 N ATOM 275 CA LEU A 19 9.134 -10.691 -18.977 1.00 0.00 C ATOM 276 C LEU A 19 7.682 -10.482 -18.558 1.00 0.00 C ATOM 277 O LEU A 19 6.768 -10.577 -19.379 1.00 0.00 O ATOM 278 CB LEU A 19 9.550 -12.139 -18.709 1.00 0.00 C ATOM 279 CG LEU A 19 10.753 -12.649 -19.502 1.00 0.00 C ATOM 280 CD1 LEU A 19 11.425 -13.802 -18.771 1.00 0.00 C ATOM 281 CD2 LEU A 19 10.329 -13.077 -20.899 1.00 0.00 C ATOM 0 H LEU A 19 10.662 -10.223 -17.620 1.00 0.00 H new ATOM 0 HA LEU A 19 9.218 -10.487 -20.044 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.770 -12.242 -17.646 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.699 -12.786 -18.922 1.00 0.00 H new ATOM 0 HG LEU A 19 11.473 -11.836 -19.595 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.279 -14.152 -19.351 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.765 -13.464 -17.792 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.713 -14.618 -18.646 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.199 -13.437 -21.449 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.590 -13.875 -20.826 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.895 -12.226 -21.424 1.00 0.00 H new ATOM 293 N LEU A 20 7.477 -10.193 -17.278 1.00 0.00 N ATOM 294 CA LEU A 20 6.137 -9.966 -16.750 1.00 0.00 C ATOM 295 C LEU A 20 5.495 -8.744 -17.399 1.00 0.00 C ATOM 296 O LEU A 20 4.322 -8.770 -17.770 1.00 0.00 O ATOM 297 CB LEU A 20 6.189 -9.784 -15.232 1.00 0.00 C ATOM 298 CG LEU A 20 6.558 -11.025 -14.419 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.250 -10.629 -13.124 1.00 0.00 C ATOM 300 CD2 LEU A 20 5.320 -11.862 -14.131 1.00 0.00 C ATOM 0 H LEU A 20 8.222 -10.110 -16.586 1.00 0.00 H new ATOM 0 HA LEU A 20 5.529 -10.840 -16.984 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.909 -8.998 -15.005 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.215 -9.430 -14.895 1.00 0.00 H new ATOM 0 HG LEU A 20 7.250 -11.628 -15.007 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.505 -11.525 -12.559 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.159 -10.073 -13.353 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.582 -10.004 -12.531 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.602 -12.741 -13.552 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.603 -11.268 -13.564 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.867 -12.177 -15.071 1.00 0.00 H new ATOM 312 N ARG A 21 6.273 -7.675 -17.533 1.00 0.00 N ATOM 313 CA ARG A 21 5.782 -6.443 -18.139 1.00 0.00 C ATOM 314 C ARG A 21 5.359 -6.680 -19.586 1.00 0.00 C ATOM 315 O ARG A 21 4.481 -5.992 -20.107 1.00 0.00 O ATOM 316 CB ARG A 21 6.857 -5.357 -18.081 1.00 0.00 C ATOM 317 CG ARG A 21 6.990 -4.704 -16.715 1.00 0.00 C ATOM 318 CD ARG A 21 7.903 -3.489 -16.765 1.00 0.00 C ATOM 319 NE ARG A 21 7.673 -2.585 -15.641 1.00 0.00 N ATOM 320 CZ ARG A 21 8.542 -1.658 -15.254 1.00 0.00 C ATOM 321 NH1 ARG A 21 9.693 -1.514 -15.896 1.00 0.00 N ATOM 322 NH2 ARG A 21 8.261 -0.873 -14.222 1.00 0.00 N ATOM 0 H ARG A 21 7.246 -7.637 -17.230 1.00 0.00 H new ATOM 0 HA ARG A 21 4.911 -6.112 -17.574 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.816 -5.792 -18.361 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.627 -4.590 -18.820 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.005 -4.406 -16.356 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.384 -5.428 -16.001 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.943 -3.816 -16.760 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.742 -2.953 -17.700 1.00 0.00 H new ATOM 0 HE ARG A 21 6.797 -2.670 -15.125 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.913 -2.116 -16.689 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.358 -0.801 -15.596 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.377 -0.981 -13.725 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.929 -0.161 -13.926 1.00 0.00 H new ATOM 336 N SER A 22 5.990 -7.656 -20.229 1.00 0.00 N ATOM 337 CA SER A 22 5.683 -7.980 -21.617 1.00 0.00 C ATOM 338 C SER A 22 4.223 -8.395 -21.768 1.00 0.00 C ATOM 339 O SER A 22 3.584 -8.103 -22.780 1.00 0.00 O ATOM 340 CB SER A 22 6.597 -9.101 -22.116 1.00 0.00 C ATOM 341 OG SER A 22 6.442 -9.304 -23.510 1.00 0.00 O ATOM 0 H SER A 22 6.717 -8.237 -19.811 1.00 0.00 H new ATOM 0 HA SER A 22 5.853 -7.087 -22.218 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.635 -8.853 -21.895 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.369 -10.024 -21.583 1.00 0.00 H new ATOM 0 HG SER A 22 7.038 -10.024 -23.804 1.00 0.00 H new ATOM 347 N HIS A 23 3.700 -9.077 -20.754 1.00 0.00 N ATOM 348 CA HIS A 23 2.314 -9.531 -20.772 1.00 0.00 C ATOM 349 C HIS A 23 1.405 -8.532 -20.064 1.00 0.00 C ATOM 350 O HIS A 23 0.302 -8.875 -19.637 1.00 0.00 O ATOM 351 CB HIS A 23 2.197 -10.904 -20.109 1.00 0.00 C ATOM 352 CG HIS A 23 2.477 -12.044 -21.039 1.00 0.00 C ATOM 353 ND1 HIS A 23 3.753 -12.431 -21.393 1.00 0.00 N ATOM 354 CD2 HIS A 23 1.638 -12.884 -21.688 1.00 0.00 C ATOM 355 CE1 HIS A 23 3.686 -13.458 -22.220 1.00 0.00 C ATOM 356 NE2 HIS A 23 2.413 -13.754 -22.416 1.00 0.00 N ATOM 0 H HIS A 23 4.215 -9.327 -19.910 1.00 0.00 H new ATOM 0 HA HIS A 23 1.997 -9.609 -21.812 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.890 -10.953 -19.269 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.193 -11.017 -19.701 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.559 -12.873 -21.642 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.529 -13.969 -22.661 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.063 -14.505 -23.010 1.00 0.00 H new ATOM 364 N ARG A 24 1.876 -7.295 -19.941 1.00 0.00 N ATOM 365 CA ARG A 24 1.106 -6.246 -19.282 1.00 0.00 C ATOM 366 C ARG A 24 0.706 -6.670 -17.872 1.00 0.00 C ATOM 367 O ARG A 24 -0.296 -6.200 -17.333 1.00 0.00 O ATOM 368 CB ARG A 24 -0.143 -5.911 -20.099 1.00 0.00 C ATOM 369 CG ARG A 24 0.144 -5.639 -21.567 1.00 0.00 C ATOM 370 CD ARG A 24 -1.132 -5.337 -22.337 1.00 0.00 C ATOM 371 NE ARG A 24 -2.099 -6.427 -22.244 1.00 0.00 N ATOM 372 CZ ARG A 24 -3.331 -6.361 -22.736 1.00 0.00 C ATOM 373 NH1 ARG A 24 -3.744 -5.263 -23.353 1.00 0.00 N ATOM 374 NH2 ARG A 24 -4.153 -7.396 -22.612 1.00 0.00 N ATOM 0 H ARG A 24 2.787 -6.995 -20.289 1.00 0.00 H new ATOM 0 HA ARG A 24 1.734 -5.358 -19.212 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.849 -6.738 -20.023 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.628 -5.037 -19.664 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.831 -4.797 -21.655 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.641 -6.503 -22.008 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.580 -4.421 -21.951 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.889 -5.156 -23.384 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.813 -7.287 -21.775 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.115 -4.466 -23.451 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.691 -5.215 -23.730 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.839 -8.243 -22.139 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.099 -7.344 -22.990 1.00 0.00 H new ATOM 388 N ILE A 25 1.495 -7.561 -17.282 1.00 0.00 N ATOM 389 CA ILE A 25 1.224 -8.047 -15.935 1.00 0.00 C ATOM 390 C ILE A 25 1.186 -6.898 -14.933 1.00 0.00 C ATOM 391 O ILE A 25 1.910 -5.912 -15.074 1.00 0.00 O ATOM 392 CB ILE A 25 2.279 -9.073 -15.483 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.266 -10.293 -16.407 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.029 -9.492 -14.042 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.012 -11.129 -16.285 1.00 0.00 C ATOM 0 H ILE A 25 2.327 -7.961 -17.716 1.00 0.00 H new ATOM 0 HA ILE A 25 0.248 -8.532 -15.965 1.00 0.00 H new ATOM 0 HB ILE A 25 3.263 -8.607 -15.540 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.371 -9.958 -17.439 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.132 -10.917 -16.185 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.783 -10.218 -13.738 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.085 -8.617 -13.394 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.039 -9.942 -13.960 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.072 -11.976 -16.968 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.916 -11.494 -15.262 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.143 -10.521 -16.536 1.00 0.00 H new ATOM 407 N LYS A 26 0.339 -7.033 -13.918 1.00 0.00 N ATOM 408 CA LYS A 26 0.208 -6.008 -12.889 1.00 0.00 C ATOM 409 C LYS A 26 1.205 -6.242 -11.759 1.00 0.00 C ATOM 410 O LYS A 26 2.074 -7.109 -11.852 1.00 0.00 O ATOM 411 CB LYS A 26 -1.217 -5.996 -12.331 1.00 0.00 C ATOM 412 CG LYS A 26 -1.976 -4.714 -12.630 1.00 0.00 C ATOM 413 CD LYS A 26 -3.479 -4.942 -12.623 1.00 0.00 C ATOM 414 CE LYS A 26 -4.107 -4.469 -11.320 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.595 -3.066 -11.417 1.00 0.00 N ATOM 0 H LYS A 26 -0.267 -7.843 -13.786 1.00 0.00 H new ATOM 0 HA LYS A 26 0.422 -5.041 -13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.768 -6.840 -12.746 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.177 -6.141 -11.251 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.718 -3.956 -11.890 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.670 -4.327 -13.602 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.933 -4.412 -13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.688 -6.002 -12.766 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.937 -5.125 -11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.375 -4.544 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.016 -2.781 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.799 -2.436 -11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.312 -2.999 -12.167 1.00 0.00 H new ATOM 429 N THR A 27 1.074 -5.462 -10.689 1.00 0.00 N ATOM 430 CA THR A 27 1.964 -5.584 -9.541 1.00 0.00 C ATOM 431 C THR A 27 1.689 -6.869 -8.767 1.00 0.00 C ATOM 432 O THR A 27 0.843 -7.673 -9.159 1.00 0.00 O ATOM 433 CB THR A 27 1.819 -4.383 -8.588 1.00 0.00 C ATOM 434 OG1 THR A 27 0.440 -4.181 -8.261 1.00 0.00 O ATOM 435 CG2 THR A 27 2.386 -3.120 -9.219 1.00 0.00 C ATOM 0 H THR A 27 0.360 -4.740 -10.594 1.00 0.00 H new ATOM 0 HA THR A 27 2.982 -5.608 -9.931 1.00 0.00 H new ATOM 0 HB THR A 27 2.380 -4.599 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.356 -3.417 -7.653 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.272 -2.285 -8.527 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.443 -3.267 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.849 -2.902 -10.142 1.00 0.00 H new ATOM 443 N VAL A 28 2.410 -7.056 -7.666 1.00 0.00 N ATOM 444 CA VAL A 28 2.242 -8.242 -6.835 1.00 0.00 C ATOM 445 C VAL A 28 0.768 -8.520 -6.565 1.00 0.00 C ATOM 446 O VAL A 28 0.366 -9.668 -6.375 1.00 0.00 O ATOM 447 CB VAL A 28 2.980 -8.095 -5.491 1.00 0.00 C ATOM 448 CG1 VAL A 28 4.483 -8.020 -5.713 1.00 0.00 C ATOM 449 CG2 VAL A 28 2.482 -6.869 -4.741 1.00 0.00 C ATOM 0 H VAL A 28 3.116 -6.401 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 28 2.671 -9.078 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 28 2.770 -8.975 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.988 -7.916 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.824 -8.931 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.716 -7.159 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.014 -6.781 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.661 -5.977 -5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.414 -6.969 -4.549 1.00 0.00 H new ATOM 459 N VAL A 29 -0.035 -7.461 -6.549 1.00 0.00 N ATOM 460 CA VAL A 29 -1.467 -7.590 -6.303 1.00 0.00 C ATOM 461 C VAL A 29 -2.108 -8.561 -7.288 1.00 0.00 C ATOM 462 O VAL A 29 -2.932 -9.393 -6.908 1.00 0.00 O ATOM 463 CB VAL A 29 -2.179 -6.228 -6.405 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.681 -5.283 -5.322 1.00 0.00 C ATOM 465 CG2 VAL A 29 -1.976 -5.623 -7.786 1.00 0.00 C ATOM 0 H VAL A 29 0.282 -6.504 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.581 -7.976 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.247 -6.384 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.195 -4.326 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.883 -5.715 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.608 -5.130 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.486 -4.661 -7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.911 -5.480 -7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.386 -6.294 -8.541 1.00 0.00 H new ATOM 475 N ASP A 30 -1.724 -8.450 -8.555 1.00 0.00 N ATOM 476 CA ASP A 30 -2.260 -9.319 -9.596 1.00 0.00 C ATOM 477 C ASP A 30 -1.701 -10.732 -9.464 1.00 0.00 C ATOM 478 O ASP A 30 -2.387 -11.713 -9.756 1.00 0.00 O ATOM 479 CB ASP A 30 -1.934 -8.755 -10.979 1.00 0.00 C ATOM 480 CG ASP A 30 -2.201 -9.753 -12.089 1.00 0.00 C ATOM 481 OD1 ASP A 30 -1.374 -10.670 -12.273 1.00 0.00 O ATOM 482 OD2 ASP A 30 -3.237 -9.616 -12.774 1.00 0.00 O ATOM 0 H ASP A 30 -1.043 -7.766 -8.886 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.343 -9.363 -9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.528 -7.857 -11.151 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.886 -8.455 -11.008 1.00 0.00 H new ATOM 487 N LEU A 31 -0.451 -10.830 -9.025 1.00 0.00 N ATOM 488 CA LEU A 31 0.202 -12.124 -8.856 1.00 0.00 C ATOM 489 C LEU A 31 -0.643 -13.050 -7.987 1.00 0.00 C ATOM 490 O LEU A 31 -0.690 -14.259 -8.213 1.00 0.00 O ATOM 491 CB LEU A 31 1.586 -11.941 -8.231 1.00 0.00 C ATOM 492 CG LEU A 31 2.778 -12.227 -9.145 1.00 0.00 C ATOM 493 CD1 LEU A 31 2.688 -13.634 -9.715 1.00 0.00 C ATOM 494 CD2 LEU A 31 2.850 -11.199 -10.265 1.00 0.00 C ATOM 0 H LEU A 31 0.131 -10.029 -8.780 1.00 0.00 H new ATOM 0 HA LEU A 31 0.312 -12.580 -9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.667 -10.915 -7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.658 -12.591 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 31 3.691 -12.155 -8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.545 -13.820 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.686 -14.357 -8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.768 -13.735 -10.292 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.704 -11.418 -10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.934 -11.239 -10.855 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.963 -10.203 -9.838 1.00 0.00 H new ATOM 506 N VAL A 32 -1.311 -12.474 -6.992 1.00 0.00 N ATOM 507 CA VAL A 32 -2.157 -13.247 -6.090 1.00 0.00 C ATOM 508 C VAL A 32 -3.178 -14.071 -6.867 1.00 0.00 C ATOM 509 O VAL A 32 -3.641 -15.110 -6.395 1.00 0.00 O ATOM 510 CB VAL A 32 -2.898 -12.334 -5.096 1.00 0.00 C ATOM 511 CG1 VAL A 32 -4.123 -11.714 -5.751 1.00 0.00 C ATOM 512 CG2 VAL A 32 -3.287 -13.112 -3.848 1.00 0.00 C ATOM 0 H VAL A 32 -1.283 -11.475 -6.790 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.501 -13.917 -5.535 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.227 -11.528 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.634 -11.072 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.814 -11.122 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.800 -12.504 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.810 -12.452 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.941 -13.939 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.390 -13.503 -3.369 1.00 0.00 H new ATOM 522 N SER A 33 -3.527 -13.599 -8.060 1.00 0.00 N ATOM 523 CA SER A 33 -4.497 -14.290 -8.901 1.00 0.00 C ATOM 524 C SER A 33 -3.802 -15.007 -10.055 1.00 0.00 C ATOM 525 O SER A 33 -4.325 -15.978 -10.602 1.00 0.00 O ATOM 526 CB SER A 33 -5.527 -13.300 -9.446 1.00 0.00 C ATOM 527 OG SER A 33 -6.655 -13.976 -9.974 1.00 0.00 O ATOM 0 H SER A 33 -3.152 -12.741 -8.465 1.00 0.00 H new ATOM 0 HA SER A 33 -5.007 -15.034 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.843 -12.625 -8.651 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.071 -12.686 -10.223 1.00 0.00 H new ATOM 0 HG SER A 33 -7.299 -13.321 -10.315 1.00 0.00 H new ATOM 533 N ALA A 34 -2.621 -14.519 -10.421 1.00 0.00 N ATOM 534 CA ALA A 34 -1.853 -15.113 -11.508 1.00 0.00 C ATOM 535 C ALA A 34 -1.579 -16.589 -11.244 1.00 0.00 C ATOM 536 O ALA A 34 -1.930 -17.117 -10.189 1.00 0.00 O ATOM 537 CB ALA A 34 -0.547 -14.358 -11.705 1.00 0.00 C ATOM 0 H ALA A 34 -2.176 -13.714 -9.981 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.444 -15.038 -12.421 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.017 -14.812 -12.520 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.761 -13.317 -11.948 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.041 -14.403 -10.788 1.00 0.00 H new ATOM 543 N ASP A 35 -0.949 -17.251 -12.209 1.00 0.00 N ATOM 544 CA ASP A 35 -0.627 -18.667 -12.081 1.00 0.00 C ATOM 545 C ASP A 35 0.816 -18.857 -11.622 1.00 0.00 C ATOM 546 O ASP A 35 1.610 -19.518 -12.291 1.00 0.00 O ATOM 547 CB ASP A 35 -0.850 -19.386 -13.412 1.00 0.00 C ATOM 548 CG ASP A 35 -2.231 -19.132 -13.983 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.179 -18.961 -13.188 1.00 0.00 O ATOM 550 OD2 ASP A 35 -2.365 -19.105 -15.224 1.00 0.00 O ATOM 0 H ASP A 35 -0.651 -16.829 -13.089 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.289 -19.098 -11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.098 -19.058 -14.129 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.710 -20.458 -13.271 1.00 0.00 H new ATOM 555 N LEU A 36 1.148 -18.271 -10.476 1.00 0.00 N ATOM 556 CA LEU A 36 2.496 -18.374 -9.928 1.00 0.00 C ATOM 557 C LEU A 36 2.903 -19.834 -9.754 1.00 0.00 C ATOM 558 O LEU A 36 4.057 -20.197 -9.978 1.00 0.00 O ATOM 559 CB LEU A 36 2.578 -17.647 -8.584 1.00 0.00 C ATOM 560 CG LEU A 36 3.964 -17.150 -8.174 1.00 0.00 C ATOM 561 CD1 LEU A 36 4.906 -18.322 -7.948 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.526 -16.206 -9.227 1.00 0.00 C ATOM 0 H LEU A 36 0.503 -17.720 -9.909 1.00 0.00 H new ATOM 0 HA LEU A 36 3.184 -17.905 -10.631 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.902 -16.793 -8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.210 -18.318 -7.808 1.00 0.00 H new ATOM 0 HG LEU A 36 3.869 -16.601 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.888 -17.949 -7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.511 -18.959 -7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.996 -18.899 -8.868 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.513 -15.862 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.606 -16.730 -10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.862 -15.349 -9.339 1.00 0.00 H new ATOM 574 N GLU A 37 1.946 -20.666 -9.354 1.00 0.00 N ATOM 575 CA GLU A 37 2.206 -22.087 -9.152 1.00 0.00 C ATOM 576 C GLU A 37 2.621 -22.755 -10.459 1.00 0.00 C ATOM 577 O GLU A 37 3.525 -23.590 -10.481 1.00 0.00 O ATOM 578 CB GLU A 37 0.965 -22.779 -8.584 1.00 0.00 C ATOM 579 CG GLU A 37 -0.273 -22.615 -9.450 1.00 0.00 C ATOM 580 CD GLU A 37 -1.560 -22.810 -8.671 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.862 -23.965 -8.305 1.00 0.00 O ATOM 582 OE2 GLU A 37 -2.263 -21.808 -8.428 1.00 0.00 O ATOM 0 H GLU A 37 0.985 -20.381 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 37 3.025 -22.183 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.175 -23.842 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.759 -22.380 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.270 -21.621 -9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.236 -23.333 -10.269 1.00 0.00 H new ATOM 589 N GLU A 38 1.954 -22.382 -11.547 1.00 0.00 N ATOM 590 CA GLU A 38 2.253 -22.946 -12.857 1.00 0.00 C ATOM 591 C GLU A 38 3.548 -22.365 -13.418 1.00 0.00 C ATOM 592 O GLU A 38 4.421 -23.098 -13.881 1.00 0.00 O ATOM 593 CB GLU A 38 1.100 -22.680 -13.827 1.00 0.00 C ATOM 594 CG GLU A 38 -0.237 -23.218 -13.345 1.00 0.00 C ATOM 595 CD GLU A 38 -0.365 -24.717 -13.534 1.00 0.00 C ATOM 596 OE1 GLU A 38 0.663 -25.418 -13.435 1.00 0.00 O ATOM 597 OE2 GLU A 38 -1.495 -25.189 -13.782 1.00 0.00 O ATOM 0 H GLU A 38 1.203 -21.692 -11.546 1.00 0.00 H new ATOM 0 HA GLU A 38 2.379 -24.022 -12.740 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.013 -21.606 -13.989 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.337 -23.129 -14.791 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.362 -22.977 -12.289 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.041 -22.718 -13.884 1.00 0.00 H new ATOM 604 N VAL A 39 3.663 -21.041 -13.373 1.00 0.00 N ATOM 605 CA VAL A 39 4.850 -20.360 -13.875 1.00 0.00 C ATOM 606 C VAL A 39 6.098 -20.800 -13.118 1.00 0.00 C ATOM 607 O VAL A 39 7.156 -21.006 -13.711 1.00 0.00 O ATOM 608 CB VAL A 39 4.709 -18.830 -13.764 1.00 0.00 C ATOM 609 CG1 VAL A 39 5.890 -18.135 -14.423 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.396 -18.371 -14.382 1.00 0.00 C ATOM 0 H VAL A 39 2.949 -20.419 -12.994 1.00 0.00 H new ATOM 0 HA VAL A 39 4.950 -20.633 -14.925 1.00 0.00 H new ATOM 0 HB VAL A 39 4.703 -18.558 -12.708 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.772 -17.055 -14.334 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.813 -18.441 -13.931 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.932 -18.410 -15.477 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.312 -17.288 -14.295 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.371 -18.654 -15.434 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.564 -18.842 -13.860 1.00 0.00 H new ATOM 620 N ALA A 40 5.966 -20.942 -11.803 1.00 0.00 N ATOM 621 CA ALA A 40 7.083 -21.360 -10.964 1.00 0.00 C ATOM 622 C ALA A 40 7.532 -22.775 -11.314 1.00 0.00 C ATOM 623 O ALA A 40 8.721 -23.088 -11.263 1.00 0.00 O ATOM 624 CB ALA A 40 6.700 -21.274 -9.494 1.00 0.00 C ATOM 0 H ALA A 40 5.097 -20.774 -11.296 1.00 0.00 H new ATOM 0 HA ALA A 40 7.918 -20.685 -11.150 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.543 -21.589 -8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.435 -20.246 -9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.847 -21.925 -9.301 1.00 0.00 H new ATOM 630 N GLN A 41 6.574 -23.625 -11.667 1.00 0.00 N ATOM 631 CA GLN A 41 6.872 -25.007 -12.024 1.00 0.00 C ATOM 632 C GLN A 41 7.639 -25.076 -13.340 1.00 0.00 C ATOM 633 O GLN A 41 8.689 -25.713 -13.427 1.00 0.00 O ATOM 634 CB GLN A 41 5.580 -25.819 -12.129 1.00 0.00 C ATOM 635 CG GLN A 41 5.471 -26.926 -11.093 1.00 0.00 C ATOM 636 CD GLN A 41 5.142 -26.400 -9.710 1.00 0.00 C ATOM 637 OE1 GLN A 41 5.552 -25.301 -9.337 1.00 0.00 O ATOM 638 NE2 GLN A 41 4.398 -27.185 -8.940 1.00 0.00 N ATOM 0 H GLN A 41 5.585 -23.381 -11.714 1.00 0.00 H new ATOM 0 HA GLN A 41 7.497 -25.432 -11.238 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.729 -25.147 -12.021 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.516 -26.257 -13.125 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.701 -27.633 -11.402 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.411 -27.476 -11.054 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.080 -28.089 -9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.145 -26.884 -7.999 1.00 0.00 H new ATOM 647 N LYS A 42 7.108 -24.416 -14.364 1.00 0.00 N ATOM 648 CA LYS A 42 7.742 -24.401 -15.677 1.00 0.00 C ATOM 649 C LYS A 42 9.074 -23.659 -15.629 1.00 0.00 C ATOM 650 O LYS A 42 10.067 -24.109 -16.203 1.00 0.00 O ATOM 651 CB LYS A 42 6.818 -23.745 -16.705 1.00 0.00 C ATOM 652 CG LYS A 42 6.402 -22.331 -16.335 1.00 0.00 C ATOM 653 CD LYS A 42 5.309 -21.813 -17.254 1.00 0.00 C ATOM 654 CE LYS A 42 3.944 -22.357 -16.858 1.00 0.00 C ATOM 655 NZ LYS A 42 2.900 -22.022 -17.866 1.00 0.00 N ATOM 0 H LYS A 42 6.239 -23.884 -14.310 1.00 0.00 H new ATOM 0 HA LYS A 42 7.931 -25.433 -15.974 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.320 -23.726 -17.672 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.925 -24.359 -16.822 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.050 -22.312 -15.303 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.267 -21.670 -16.389 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.291 -20.724 -17.222 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.531 -22.098 -18.282 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.004 -23.439 -16.743 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.657 -21.949 -15.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.985 -22.410 -17.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.825 -20.989 -17.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.160 -22.433 -18.785 1.00 0.00 H new ATOM 669 N CYS A 43 9.089 -22.523 -14.941 1.00 0.00 N ATOM 670 CA CYS A 43 10.300 -21.719 -14.818 1.00 0.00 C ATOM 671 C CYS A 43 11.327 -22.415 -13.931 1.00 0.00 C ATOM 672 O CYS A 43 12.532 -22.231 -14.096 1.00 0.00 O ATOM 673 CB CYS A 43 9.966 -20.340 -14.247 1.00 0.00 C ATOM 674 SG CYS A 43 11.368 -19.198 -14.208 1.00 0.00 S ATOM 0 H CYS A 43 8.276 -22.138 -14.460 1.00 0.00 H new ATOM 0 HA CYS A 43 10.729 -21.598 -15.813 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.166 -19.897 -14.841 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.582 -20.461 -13.234 1.00 0.00 H new ATOM 0 HG CYS A 43 12.477 -19.874 -14.165 1.00 0.00 H new ATOM 680 N GLY A 44 10.840 -23.216 -12.987 1.00 0.00 N ATOM 681 CA GLY A 44 11.729 -23.926 -12.087 1.00 0.00 C ATOM 682 C GLY A 44 12.085 -23.110 -10.860 1.00 0.00 C ATOM 683 O GLY A 44 13.145 -23.304 -10.262 1.00 0.00 O ATOM 0 H GLY A 44 9.846 -23.385 -12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.257 -24.858 -11.775 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.642 -24.193 -12.619 1.00 0.00 H new ATOM 687 N LEU A 45 11.201 -22.193 -10.485 1.00 0.00 N ATOM 688 CA LEU A 45 11.428 -21.341 -9.322 1.00 0.00 C ATOM 689 C LEU A 45 10.850 -21.976 -8.061 1.00 0.00 C ATOM 690 O LEU A 45 9.859 -22.705 -8.119 1.00 0.00 O ATOM 691 CB LEU A 45 10.804 -19.963 -9.545 1.00 0.00 C ATOM 692 CG LEU A 45 10.738 -19.050 -8.320 1.00 0.00 C ATOM 693 CD1 LEU A 45 12.129 -18.568 -7.937 1.00 0.00 C ATOM 694 CD2 LEU A 45 9.817 -17.868 -8.584 1.00 0.00 C ATOM 0 H LEU A 45 10.320 -22.020 -10.969 1.00 0.00 H new ATOM 0 HA LEU A 45 12.504 -21.228 -9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.370 -19.452 -10.324 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.792 -20.102 -9.925 1.00 0.00 H new ATOM 0 HG LEU A 45 10.332 -19.623 -7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.062 -17.920 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.760 -19.426 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.563 -18.013 -8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.782 -17.229 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.194 -17.295 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.814 -18.231 -8.808 1.00 0.00 H new ATOM 706 N SER A 46 11.474 -21.693 -6.922 1.00 0.00 N ATOM 707 CA SER A 46 11.023 -22.237 -5.647 1.00 0.00 C ATOM 708 C SER A 46 9.862 -21.420 -5.088 1.00 0.00 C ATOM 709 O SER A 46 10.047 -20.297 -4.619 1.00 0.00 O ATOM 710 CB SER A 46 12.175 -22.261 -4.642 1.00 0.00 C ATOM 711 OG SER A 46 12.634 -20.949 -4.361 1.00 0.00 O ATOM 0 H SER A 46 12.294 -21.090 -6.856 1.00 0.00 H new ATOM 0 HA SER A 46 10.678 -23.257 -5.817 1.00 0.00 H new ATOM 0 HB2 SER A 46 11.847 -22.740 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.995 -22.860 -5.038 1.00 0.00 H new ATOM 0 HG SER A 46 11.932 -20.302 -4.584 1.00 0.00 H new ATOM 717 N TYR A 47 8.664 -21.993 -5.142 1.00 0.00 N ATOM 718 CA TYR A 47 7.472 -21.318 -4.643 1.00 0.00 C ATOM 719 C TYR A 47 7.650 -20.901 -3.187 1.00 0.00 C ATOM 720 O TYR A 47 7.087 -19.901 -2.741 1.00 0.00 O ATOM 721 CB TYR A 47 6.251 -22.229 -4.778 1.00 0.00 C ATOM 722 CG TYR A 47 4.933 -21.506 -4.612 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.375 -20.787 -5.662 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.247 -21.542 -3.404 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.173 -20.124 -5.513 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.043 -20.883 -3.247 1.00 0.00 C ATOM 727 CZ TYR A 47 2.510 -20.175 -4.305 1.00 0.00 C ATOM 728 OH TYR A 47 1.311 -19.517 -4.153 1.00 0.00 O ATOM 0 H TYR A 47 8.493 -22.922 -5.526 1.00 0.00 H new ATOM 0 HA TYR A 47 7.317 -20.421 -5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.272 -22.708 -5.757 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.316 -23.023 -4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.890 -20.746 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.662 -22.094 -2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.754 -19.568 -6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.522 -20.922 -2.302 1.00 0.00 H new ATOM 0 HH TYR A 47 0.975 -19.655 -3.243 1.00 0.00 H new ATOM 738 N LYS A 48 8.439 -21.675 -2.449 1.00 0.00 N ATOM 739 CA LYS A 48 8.696 -21.387 -1.043 1.00 0.00 C ATOM 740 C LYS A 48 9.276 -19.987 -0.871 1.00 0.00 C ATOM 741 O LYS A 48 8.958 -19.287 0.089 1.00 0.00 O ATOM 742 CB LYS A 48 9.656 -22.424 -0.456 1.00 0.00 C ATOM 743 CG LYS A 48 10.894 -22.656 -1.305 1.00 0.00 C ATOM 744 CD LYS A 48 11.920 -23.506 -0.575 1.00 0.00 C ATOM 745 CE LYS A 48 11.706 -24.989 -0.840 1.00 0.00 C ATOM 746 NZ LYS A 48 10.746 -25.592 0.126 1.00 0.00 N ATOM 0 H LYS A 48 8.912 -22.507 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 48 7.747 -21.436 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.963 -22.100 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.127 -23.369 -0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.611 -23.146 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.338 -21.697 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.923 -23.220 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.857 -23.314 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.334 -25.127 -1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.661 -25.511 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.909 -26.618 0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.885 -25.167 1.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.773 -25.413 -0.194 1.00 0.00 H new ATOM 760 N ALA A 49 10.128 -19.585 -1.809 1.00 0.00 N ATOM 761 CA ALA A 49 10.749 -18.267 -1.763 1.00 0.00 C ATOM 762 C ALA A 49 9.709 -17.164 -1.925 1.00 0.00 C ATOM 763 O ALA A 49 9.784 -16.124 -1.270 1.00 0.00 O ATOM 764 CB ALA A 49 11.819 -18.150 -2.838 1.00 0.00 C ATOM 0 H ALA A 49 10.404 -20.153 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 49 11.217 -18.147 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.274 -17.161 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.584 -18.909 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.367 -18.296 -3.819 1.00 0.00 H new ATOM 770 N LEU A 50 8.739 -17.396 -2.803 1.00 0.00 N ATOM 771 CA LEU A 50 7.683 -16.421 -3.053 1.00 0.00 C ATOM 772 C LEU A 50 6.696 -16.379 -1.891 1.00 0.00 C ATOM 773 O LEU A 50 6.130 -15.330 -1.581 1.00 0.00 O ATOM 774 CB LEU A 50 6.948 -16.758 -4.351 1.00 0.00 C ATOM 775 CG LEU A 50 6.414 -15.568 -5.148 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.388 -14.796 -4.334 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.556 -14.655 -5.573 1.00 0.00 C ATOM 0 H LEU A 50 8.662 -18.251 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 50 8.144 -15.438 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.624 -17.325 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.111 -17.414 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 50 5.924 -15.947 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.020 -13.953 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.556 -15.453 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.852 -14.428 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.157 -13.813 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.074 -14.284 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.255 -15.213 -6.196 1.00 0.00 H new ATOM 789 N VAL A 51 6.494 -17.526 -1.251 1.00 0.00 N ATOM 790 CA VAL A 51 5.577 -17.619 -0.121 1.00 0.00 C ATOM 791 C VAL A 51 5.973 -16.654 0.990 1.00 0.00 C ATOM 792 O VAL A 51 5.118 -16.053 1.639 1.00 0.00 O ATOM 793 CB VAL A 51 5.532 -19.050 0.449 1.00 0.00 C ATOM 794 CG1 VAL A 51 4.597 -19.119 1.647 1.00 0.00 C ATOM 795 CG2 VAL A 51 5.108 -20.038 -0.627 1.00 0.00 C ATOM 0 H VAL A 51 6.953 -18.404 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 51 4.588 -17.352 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 51 6.533 -19.321 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.578 -20.137 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.950 -18.440 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.592 -18.829 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.081 -21.044 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.117 -19.772 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.821 -20.007 -1.451 1.00 0.00 H new ATOM 805 N ALA A 52 7.277 -16.510 1.204 1.00 0.00 N ATOM 806 CA ALA A 52 7.788 -15.615 2.235 1.00 0.00 C ATOM 807 C ALA A 52 7.345 -14.177 1.983 1.00 0.00 C ATOM 808 O ALA A 52 6.895 -13.486 2.897 1.00 0.00 O ATOM 809 CB ALA A 52 9.306 -15.698 2.301 1.00 0.00 C ATOM 0 H ALA A 52 7.999 -17.002 0.677 1.00 0.00 H new ATOM 0 HA ALA A 52 7.376 -15.932 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.674 -15.025 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.605 -16.719 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.728 -15.410 1.338 1.00 0.00 H new ATOM 815 N LEU A 53 7.477 -13.733 0.738 1.00 0.00 N ATOM 816 CA LEU A 53 7.091 -12.376 0.365 1.00 0.00 C ATOM 817 C LEU A 53 5.631 -12.109 0.719 1.00 0.00 C ATOM 818 O LEU A 53 5.306 -11.086 1.321 1.00 0.00 O ATOM 819 CB LEU A 53 7.314 -12.155 -1.132 1.00 0.00 C ATOM 820 CG LEU A 53 8.738 -12.381 -1.639 1.00 0.00 C ATOM 821 CD1 LEU A 53 8.721 -12.866 -3.081 1.00 0.00 C ATOM 822 CD2 LEU A 53 9.558 -11.105 -1.514 1.00 0.00 C ATOM 0 H LEU A 53 7.848 -14.292 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 53 7.715 -11.679 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.645 -12.818 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.021 -11.134 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 53 9.204 -13.151 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.744 -13.021 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.171 -13.805 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.236 -12.120 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.569 -11.285 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.094 -10.315 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.599 -10.800 -0.468 1.00 0.00 H new ATOM 834 N ARG A 54 4.757 -13.036 0.342 1.00 0.00 N ATOM 835 CA ARG A 54 3.332 -12.901 0.620 1.00 0.00 C ATOM 836 C ARG A 54 3.081 -12.772 2.120 1.00 0.00 C ATOM 837 O ARG A 54 2.297 -11.930 2.558 1.00 0.00 O ATOM 838 CB ARG A 54 2.566 -14.103 0.065 1.00 0.00 C ATOM 839 CG ARG A 54 1.867 -13.823 -1.255 1.00 0.00 C ATOM 840 CD ARG A 54 0.396 -14.204 -1.198 1.00 0.00 C ATOM 841 NE ARG A 54 -0.444 -13.084 -0.781 1.00 0.00 N ATOM 842 CZ ARG A 54 -1.670 -13.228 -0.290 1.00 0.00 C ATOM 843 NH1 ARG A 54 -2.196 -14.437 -0.153 1.00 0.00 N ATOM 844 NH2 ARG A 54 -2.372 -12.160 0.067 1.00 0.00 N ATOM 0 H ARG A 54 5.010 -13.889 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 54 2.976 -11.995 0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.259 -14.934 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.825 -14.421 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.961 -12.765 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.358 -14.380 -2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.074 -14.553 -2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.263 -15.034 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.069 -12.140 -0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.659 -15.261 -0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.138 -14.544 0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.970 -11.228 -0.036 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.313 -12.271 0.444 1.00 0.00 H new ATOM 858 N ARG A 55 3.751 -13.613 2.901 1.00 0.00 N ATOM 859 CA ARG A 55 3.599 -13.595 4.351 1.00 0.00 C ATOM 860 C ARG A 55 3.947 -12.221 4.917 1.00 0.00 C ATOM 861 O ARG A 55 3.326 -11.756 5.872 1.00 0.00 O ATOM 862 CB ARG A 55 4.487 -14.662 4.992 1.00 0.00 C ATOM 863 CG ARG A 55 4.230 -14.857 6.477 1.00 0.00 C ATOM 864 CD ARG A 55 5.356 -15.636 7.140 1.00 0.00 C ATOM 865 NE ARG A 55 5.286 -17.063 6.837 1.00 0.00 N ATOM 866 CZ ARG A 55 6.258 -17.923 7.121 1.00 0.00 C ATOM 867 NH1 ARG A 55 7.368 -17.503 7.711 1.00 0.00 N ATOM 868 NH2 ARG A 55 6.120 -19.207 6.814 1.00 0.00 N ATOM 0 H ARG A 55 4.404 -14.315 2.554 1.00 0.00 H new ATOM 0 HA ARG A 55 2.557 -13.812 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.330 -15.610 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.532 -14.389 4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.125 -13.885 6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.288 -15.387 6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.316 -15.241 6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.310 -15.492 8.219 1.00 0.00 H new ATOM 0 HE ARG A 55 4.445 -17.419 6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.478 -16.517 7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.112 -18.166 7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.267 -19.534 6.360 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.867 -19.867 7.032 1.00 0.00 H new ATOM 882 N VAL A 56 4.946 -11.577 4.320 1.00 0.00 N ATOM 883 CA VAL A 56 5.377 -10.257 4.763 1.00 0.00 C ATOM 884 C VAL A 56 4.321 -9.201 4.456 1.00 0.00 C ATOM 885 O VAL A 56 4.083 -8.294 5.254 1.00 0.00 O ATOM 886 CB VAL A 56 6.705 -9.847 4.099 1.00 0.00 C ATOM 887 CG1 VAL A 56 7.100 -8.439 4.517 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.802 -10.843 4.445 1.00 0.00 C ATOM 0 H VAL A 56 5.471 -11.949 3.529 1.00 0.00 H new ATOM 0 HA VAL A 56 5.522 -10.318 5.842 1.00 0.00 H new ATOM 0 HB VAL A 56 6.568 -9.853 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.041 -8.168 4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.323 -7.738 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.220 -8.401 5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.734 -10.539 3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.940 -10.871 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.519 -11.834 4.089 1.00 0.00 H new ATOM 898 N LEU A 57 3.689 -9.326 3.294 1.00 0.00 N ATOM 899 CA LEU A 57 2.656 -8.383 2.879 1.00 0.00 C ATOM 900 C LEU A 57 1.477 -8.407 3.846 1.00 0.00 C ATOM 901 O LEU A 57 1.004 -7.361 4.292 1.00 0.00 O ATOM 902 CB LEU A 57 2.177 -8.711 1.464 1.00 0.00 C ATOM 903 CG LEU A 57 2.942 -8.038 0.323 1.00 0.00 C ATOM 904 CD1 LEU A 57 2.912 -6.526 0.480 1.00 0.00 C ATOM 905 CD2 LEU A 57 4.376 -8.543 0.273 1.00 0.00 C ATOM 0 H LEU A 57 3.874 -10.071 2.622 1.00 0.00 H new ATOM 0 HA LEU A 57 3.088 -7.382 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.232 -9.791 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.126 -8.433 1.384 1.00 0.00 H new ATOM 0 HG LEU A 57 2.455 -8.294 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.461 -6.064 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.879 -6.179 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.375 -6.249 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.906 -8.054 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.875 -8.317 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.377 -9.621 0.112 1.00 0.00 H new ATOM 917 N LEU A 58 1.007 -9.607 4.168 1.00 0.00 N ATOM 918 CA LEU A 58 -0.116 -9.769 5.085 1.00 0.00 C ATOM 919 C LEU A 58 0.302 -9.458 6.519 1.00 0.00 C ATOM 920 O LEU A 58 -0.488 -8.943 7.308 1.00 0.00 O ATOM 921 CB LEU A 58 -0.669 -11.193 5.000 1.00 0.00 C ATOM 922 CG LEU A 58 0.341 -12.319 5.226 1.00 0.00 C ATOM 923 CD1 LEU A 58 0.484 -12.618 6.710 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.077 -13.570 4.466 1.00 0.00 C ATOM 0 H LEU A 58 1.386 -10.483 3.808 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.896 -9.065 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.468 -11.296 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.120 -11.328 4.017 1.00 0.00 H new ATOM 0 HG LEU A 58 1.310 -11.994 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.207 -13.422 6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.829 -11.724 7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.481 -12.923 7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.653 -14.361 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.056 -13.898 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.127 -13.348 3.400 1.00 0.00 H new ATOM 936 N ALA A 59 1.551 -9.774 6.847 1.00 0.00 N ATOM 937 CA ALA A 59 2.076 -9.525 8.183 1.00 0.00 C ATOM 938 C ALA A 59 1.997 -8.043 8.537 1.00 0.00 C ATOM 939 O ALA A 59 1.508 -7.676 9.605 1.00 0.00 O ATOM 940 CB ALA A 59 3.511 -10.018 8.287 1.00 0.00 C ATOM 0 H ALA A 59 2.218 -10.203 6.205 1.00 0.00 H new ATOM 0 HA ALA A 59 1.462 -10.075 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.890 -9.825 9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.543 -11.089 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.130 -9.494 7.559 1.00 0.00 H new ATOM 946 N GLN A 60 2.482 -7.198 7.633 1.00 0.00 N ATOM 947 CA GLN A 60 2.467 -5.756 7.851 1.00 0.00 C ATOM 948 C GLN A 60 1.039 -5.219 7.843 1.00 0.00 C ATOM 949 O GLN A 60 0.721 -4.260 8.547 1.00 0.00 O ATOM 950 CB GLN A 60 3.297 -5.048 6.780 1.00 0.00 C ATOM 951 CG GLN A 60 2.776 -5.259 5.368 1.00 0.00 C ATOM 952 CD GLN A 60 3.523 -4.433 4.339 1.00 0.00 C ATOM 953 OE1 GLN A 60 3.330 -3.221 4.240 1.00 0.00 O ATOM 954 NE2 GLN A 60 4.384 -5.086 3.567 1.00 0.00 N ATOM 0 H GLN A 60 2.890 -7.486 6.744 1.00 0.00 H new ATOM 0 HA GLN A 60 2.905 -5.557 8.829 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.317 -3.980 6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.326 -5.404 6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.857 -6.315 5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.717 -5.003 5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.513 -6.091 3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.917 -4.582 2.858 1.00 0.00 H new ATOM 963 N PHE A 61 0.183 -5.843 7.041 1.00 0.00 N ATOM 964 CA PHE A 61 -1.211 -5.426 6.939 1.00 0.00 C ATOM 965 C PHE A 61 -1.978 -5.778 8.211 1.00 0.00 C ATOM 966 O PHE A 61 -2.920 -5.083 8.593 1.00 0.00 O ATOM 967 CB PHE A 61 -1.876 -6.088 5.730 1.00 0.00 C ATOM 968 CG PHE A 61 -3.193 -5.469 5.357 1.00 0.00 C ATOM 969 CD1 PHE A 61 -3.244 -4.203 4.796 1.00 0.00 C ATOM 970 CD2 PHE A 61 -4.380 -6.152 5.568 1.00 0.00 C ATOM 971 CE1 PHE A 61 -4.454 -3.630 4.451 1.00 0.00 C ATOM 972 CE2 PHE A 61 -5.592 -5.585 5.225 1.00 0.00 C ATOM 973 CZ PHE A 61 -5.630 -4.322 4.667 1.00 0.00 C ATOM 0 H PHE A 61 0.430 -6.639 6.452 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.232 -4.344 6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.201 -6.029 4.876 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.028 -7.146 5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.328 -3.657 4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.357 -7.139 6.006 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.480 -2.643 4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.510 -6.129 5.393 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.577 -3.876 4.400 1.00 0.00 H new