USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 357 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 174 THR OG1 : rot 180:sc= 0.431 USER MOD Single : A 180 TYR OH : rot 180:sc= 0 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 194 CYS SG : rot 16:sc= 0.923 USER MOD Single : A 198 TYR OH : rot 150:sc= -0.532 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 212 GLN : amide:sc= -0.944 K(o=-0.94,f=-2.4!) USER MOD Single : A 214 LYS NZ :NH3+ -134:sc= -0.368! (180deg=-1.16!) USER MOD Single : A 215 ASN :FLIP amide:sc= -0.0137 F(o=-1.3,f=-0.014) USER MOD Single : A 217 HIS : no HD1:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A 220 TYR OH : rot 180:sc= 0.984 USER MOD Single : A 223 SER OG : rot -118:sc= -0.825 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 LYS NZ :NH3+ 146:sc= -0.175 (180deg=-2.29) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.182 -12.673 -2.005 1.00 1.00 N ATOM 66 CA THR A 174 51.519 -11.706 -1.132 1.00 1.00 C ATOM 67 C THR A 174 50.502 -10.894 -1.917 1.00 1.00 C ATOM 68 O THR A 174 50.111 -11.269 -3.021 1.00 1.00 O ATOM 69 CB THR A 174 52.565 -10.770 -0.519 1.00 1.00 C ATOM 70 OG1 THR A 174 51.963 -10.005 0.514 1.00 1.00 O ATOM 71 CG2 THR A 174 53.129 -9.836 -1.596 1.00 1.00 C ATOM 0 HA THR A 174 51.000 -12.244 -0.339 1.00 1.00 H new ATOM 0 HB THR A 174 53.381 -11.363 -0.105 1.00 1.00 H new ATOM 0 HG1 THR A 174 52.631 -9.406 0.909 1.00 1.00 H new ATOM 0 HG21 THR A 174 53.872 -9.174 -1.151 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.596 -10.428 -2.383 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.321 -9.241 -2.021 1.00 1.00 H new ATOM 79 N LEU A 175 50.085 -9.769 -1.345 1.00 1.00 N ATOM 80 CA LEU A 175 49.118 -8.889 -1.999 1.00 1.00 C ATOM 81 C LEU A 175 49.745 -7.516 -2.212 1.00 1.00 C ATOM 82 O LEU A 175 50.692 -7.140 -1.519 1.00 1.00 O ATOM 83 CB LEU A 175 47.848 -8.748 -1.147 1.00 1.00 C ATOM 84 CG LEU A 175 47.487 -10.094 -0.520 1.00 1.00 C ATOM 85 CD1 LEU A 175 46.330 -9.910 0.468 1.00 1.00 C ATOM 86 CD2 LEU A 175 47.078 -11.077 -1.621 1.00 1.00 C ATOM 0 H LEU A 175 50.400 -9.444 -0.431 1.00 1.00 H new ATOM 0 HA LEU A 175 48.844 -9.324 -2.960 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.005 -8.004 -0.366 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.023 -8.392 -1.765 1.00 1.00 H new ATOM 0 HG LEU A 175 48.352 -10.489 0.013 1.00 1.00 H new ATOM 0 HD11 LEU A 175 46.075 -10.872 0.913 1.00 1.00 H new ATOM 0 HD12 LEU A 175 46.629 -9.215 1.253 1.00 1.00 H new ATOM 0 HD13 LEU A 175 45.462 -9.512 -0.058 1.00 1.00 H new ATOM 0 HD21 LEU A 175 46.820 -12.037 -1.174 1.00 1.00 H new ATOM 0 HD22 LEU A 175 46.215 -10.683 -2.158 1.00 1.00 H new ATOM 0 HD23 LEU A 175 47.907 -11.211 -2.316 1.00 1.00 H new ATOM 98 N VAL A 176 49.219 -6.772 -3.179 1.00 1.00 N ATOM 99 CA VAL A 176 49.735 -5.439 -3.488 1.00 1.00 C ATOM 100 C VAL A 176 48.599 -4.433 -3.492 1.00 1.00 C ATOM 101 O VAL A 176 47.430 -4.810 -3.522 1.00 1.00 O ATOM 102 CB VAL A 176 50.407 -5.443 -4.859 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.547 -6.455 -4.859 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.390 -5.829 -5.936 1.00 1.00 C ATOM 0 H VAL A 176 48.436 -7.067 -3.763 1.00 1.00 H new ATOM 0 HA VAL A 176 50.465 -5.162 -2.727 1.00 1.00 H new ATOM 0 HB VAL A 176 50.796 -4.447 -5.071 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.029 -6.460 -5.837 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.276 -6.182 -4.096 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.152 -7.448 -4.644 1.00 1.00 H new ATOM 0 HG21 VAL A 176 49.876 -5.830 -6.912 1.00 1.00 H new ATOM 0 HG22 VAL A 176 48.997 -6.824 -5.725 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.572 -5.109 -5.939 1.00 1.00 H new ATOM 114 N ILE A 177 48.948 -3.147 -3.455 1.00 1.00 N ATOM 115 CA ILE A 177 47.949 -2.080 -3.454 1.00 1.00 C ATOM 116 C ILE A 177 48.226 -1.093 -4.584 1.00 1.00 C ATOM 117 O ILE A 177 49.342 -0.594 -4.722 1.00 1.00 O ATOM 118 CB ILE A 177 47.968 -1.347 -2.114 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.975 -2.377 -0.975 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.727 -0.454 -2.002 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.676 -1.688 0.360 1.00 1.00 C ATOM 0 H ILE A 177 49.914 -2.820 -3.425 1.00 1.00 H new ATOM 0 HA ILE A 177 46.966 -2.525 -3.606 1.00 1.00 H new ATOM 0 HB ILE A 177 48.861 -0.726 -2.046 1.00 1.00 H new ATOM 0 HG12 ILE A 177 47.231 -3.150 -1.169 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.945 -2.872 -0.928 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.740 0.069 -1.046 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.728 0.273 -2.814 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.829 -1.069 -2.067 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.683 -2.427 1.161 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.436 -0.932 0.557 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.696 -1.214 0.313 1.00 1.00 H new ATOM 133 N ALA A 178 47.202 -0.814 -5.383 1.00 1.00 N ATOM 134 CA ALA A 178 47.344 0.116 -6.498 1.00 1.00 C ATOM 135 C ALA A 178 47.266 1.562 -6.014 1.00 1.00 C ATOM 136 O ALA A 178 46.213 2.023 -5.574 1.00 1.00 O ATOM 137 CB ALA A 178 46.242 -0.145 -7.532 1.00 1.00 C ATOM 0 H ALA A 178 46.270 -1.215 -5.281 1.00 1.00 H new ATOM 0 HA ALA A 178 48.320 -0.041 -6.956 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.351 0.551 -8.363 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.324 -1.167 -7.901 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.266 -0.005 -7.067 1.00 1.00 H new ATOM 143 N LEU A 179 48.386 2.270 -6.100 1.00 1.00 N ATOM 144 CA LEU A 179 48.428 3.661 -5.670 1.00 1.00 C ATOM 145 C LEU A 179 47.514 4.518 -6.535 1.00 1.00 C ATOM 146 O LEU A 179 46.797 5.386 -6.033 1.00 1.00 O ATOM 147 CB LEU A 179 49.860 4.189 -5.754 1.00 1.00 C ATOM 148 CG LEU A 179 50.725 3.501 -4.688 1.00 1.00 C ATOM 149 CD1 LEU A 179 52.196 3.857 -4.927 1.00 1.00 C ATOM 150 CD2 LEU A 179 50.299 3.950 -3.274 1.00 1.00 C ATOM 0 H LEU A 179 49.269 1.908 -6.460 1.00 1.00 H new ATOM 0 HA LEU A 179 48.082 3.713 -4.638 1.00 1.00 H new ATOM 0 HB2 LEU A 179 50.270 4.001 -6.746 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.870 5.269 -5.604 1.00 1.00 H new ATOM 0 HG LEU A 179 50.591 2.422 -4.761 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.815 3.371 -4.173 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.497 3.516 -5.918 1.00 1.00 H new ATOM 0 HD13 LEU A 179 52.324 4.937 -4.861 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.922 3.453 -2.531 1.00 1.00 H new ATOM 0 HD22 LEU A 179 50.418 5.030 -3.184 1.00 1.00 H new ATOM 0 HD23 LEU A 179 49.255 3.685 -3.107 1.00 1.00 H new ATOM 162 N TYR A 180 47.542 4.272 -7.844 1.00 1.00 N ATOM 163 CA TYR A 180 46.714 5.024 -8.786 1.00 1.00 C ATOM 164 C TYR A 180 45.826 4.080 -9.585 1.00 1.00 C ATOM 165 O TYR A 180 46.171 2.919 -9.803 1.00 1.00 O ATOM 166 CB TYR A 180 47.605 5.823 -9.739 1.00 1.00 C ATOM 167 CG TYR A 180 48.472 6.769 -8.941 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.935 7.966 -8.453 1.00 1.00 C ATOM 169 CD2 TYR A 180 49.813 6.450 -8.690 1.00 1.00 C ATOM 170 CE1 TYR A 180 48.738 8.845 -7.714 1.00 1.00 C ATOM 171 CE2 TYR A 180 50.615 7.328 -7.952 1.00 1.00 C ATOM 172 CZ TYR A 180 50.078 8.526 -7.463 1.00 1.00 C ATOM 173 OH TYR A 180 50.869 9.391 -6.736 1.00 1.00 O ATOM 0 H TYR A 180 48.129 3.558 -8.276 1.00 1.00 H new ATOM 0 HA TYR A 180 46.081 5.709 -8.222 1.00 1.00 H new ATOM 0 HB2 TYR A 180 48.228 5.147 -10.324 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.991 6.383 -10.445 1.00 1.00 H new ATOM 0 HD1 TYR A 180 46.901 8.212 -8.646 1.00 1.00 H new ATOM 0 HD2 TYR A 180 50.228 5.526 -9.066 1.00 1.00 H new ATOM 0 HE1 TYR A 180 48.323 9.769 -7.338 1.00 1.00 H new ATOM 0 HE2 TYR A 180 51.649 7.082 -7.759 1.00 1.00 H new ATOM 0 HH TYR A 180 51.771 9.018 -6.653 1.00 1.00 H new ATOM 183 N ASP A 181 44.678 4.588 -10.019 1.00 1.00 N ATOM 184 CA ASP A 181 43.744 3.781 -10.792 1.00 1.00 C ATOM 185 C ASP A 181 44.289 3.533 -12.192 1.00 1.00 C ATOM 186 O ASP A 181 44.125 4.360 -13.089 1.00 1.00 O ATOM 187 CB ASP A 181 42.395 4.495 -10.892 1.00 1.00 C ATOM 188 CG ASP A 181 42.581 5.876 -11.512 1.00 1.00 C ATOM 189 OD1 ASP A 181 43.718 6.256 -11.737 1.00 1.00 O ATOM 190 OD2 ASP A 181 41.583 6.536 -11.751 1.00 1.00 O ATOM 0 H ASP A 181 44.374 5.547 -9.850 1.00 1.00 H new ATOM 0 HA ASP A 181 43.613 2.825 -10.286 1.00 1.00 H new ATOM 0 HB2 ASP A 181 41.706 3.905 -11.497 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.949 4.589 -9.902 1.00 1.00 H new ATOM 195 N TYR A 182 44.937 2.385 -12.377 1.00 1.00 N ATOM 196 CA TYR A 182 45.503 2.033 -13.678 1.00 1.00 C ATOM 197 C TYR A 182 44.598 1.043 -14.397 1.00 1.00 C ATOM 198 O TYR A 182 44.648 -0.160 -14.134 1.00 1.00 O ATOM 199 CB TYR A 182 46.885 1.406 -13.492 1.00 1.00 C ATOM 200 CG TYR A 182 47.458 1.046 -14.841 1.00 1.00 C ATOM 201 CD1 TYR A 182 48.154 2.007 -15.585 1.00 1.00 C ATOM 202 CD2 TYR A 182 47.296 -0.248 -15.348 1.00 1.00 C ATOM 203 CE1 TYR A 182 48.685 1.674 -16.836 1.00 1.00 C ATOM 204 CE2 TYR A 182 47.828 -0.582 -16.600 1.00 1.00 C ATOM 205 CZ TYR A 182 48.523 0.379 -17.344 1.00 1.00 C ATOM 206 OH TYR A 182 49.047 0.051 -18.576 1.00 1.00 O ATOM 0 H TYR A 182 45.083 1.687 -11.648 1.00 1.00 H new ATOM 0 HA TYR A 182 45.589 2.941 -14.275 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.547 2.103 -12.978 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.812 0.516 -12.867 1.00 1.00 H new ATOM 0 HD1 TYR A 182 48.281 3.005 -15.193 1.00 1.00 H new ATOM 0 HD2 TYR A 182 46.761 -0.990 -14.774 1.00 1.00 H new ATOM 0 HE1 TYR A 182 49.220 2.416 -17.410 1.00 1.00 H new ATOM 0 HE2 TYR A 182 47.702 -1.581 -16.991 1.00 1.00 H new ATOM 0 HH TYR A 182 48.846 -0.887 -18.778 1.00 1.00 H new ATOM 319 N LEU A 190 45.678 -6.532 -16.595 1.00 1.00 N ATOM 320 CA LEU A 190 44.467 -6.756 -15.809 1.00 1.00 C ATOM 321 C LEU A 190 43.659 -5.464 -15.688 1.00 1.00 C ATOM 322 O LEU A 190 43.141 -4.949 -16.676 1.00 1.00 O ATOM 323 CB LEU A 190 44.841 -7.290 -14.414 1.00 1.00 C ATOM 324 CG LEU A 190 43.576 -7.762 -13.681 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.001 -9.017 -14.365 1.00 1.00 C ATOM 326 CD2 LEU A 190 43.926 -8.074 -12.223 1.00 1.00 C ATOM 0 HA LEU A 190 43.850 -7.497 -16.317 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.547 -8.115 -14.508 1.00 1.00 H new ATOM 0 HB3 LEU A 190 45.337 -6.510 -13.837 1.00 1.00 H new ATOM 0 HG LEU A 190 42.824 -6.974 -13.715 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.105 -9.341 -13.836 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.747 -8.784 -15.399 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.743 -9.815 -14.344 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.032 -8.409 -11.698 1.00 1.00 H new ATOM 0 HD22 LEU A 190 44.682 -8.859 -12.190 1.00 1.00 H new ATOM 0 HD23 LEU A 190 44.314 -7.176 -11.742 1.00 1.00 H new ATOM 338 N ALA A 191 43.548 -4.960 -14.472 1.00 1.00 N ATOM 339 CA ALA A 191 42.793 -3.743 -14.213 1.00 1.00 C ATOM 340 C ALA A 191 42.890 -3.389 -12.734 1.00 1.00 C ATOM 341 O ALA A 191 42.203 -3.981 -11.906 1.00 1.00 O ATOM 342 CB ALA A 191 41.325 -3.950 -14.604 1.00 1.00 C ATOM 0 H ALA A 191 43.973 -5.376 -13.643 1.00 1.00 H new ATOM 0 HA ALA A 191 43.207 -2.928 -14.806 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.764 -3.036 -14.408 1.00 1.00 H new ATOM 0 HB2 ALA A 191 41.262 -4.194 -15.664 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.904 -4.767 -14.018 1.00 1.00 H new ATOM 348 N LEU A 192 43.750 -2.426 -12.414 1.00 1.00 N ATOM 349 CA LEU A 192 43.945 -2.006 -11.027 1.00 1.00 C ATOM 350 C LEU A 192 43.018 -0.848 -10.677 1.00 1.00 C ATOM 351 O LEU A 192 42.613 -0.078 -11.549 1.00 1.00 O ATOM 352 CB LEU A 192 45.392 -1.565 -10.827 1.00 1.00 C ATOM 353 CG LEU A 192 46.328 -2.563 -11.511 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.785 -2.190 -11.206 1.00 1.00 C ATOM 355 CD2 LEU A 192 46.033 -3.982 -10.999 1.00 1.00 C ATOM 0 H LEU A 192 44.322 -1.923 -13.092 1.00 1.00 H new ATOM 0 HA LEU A 192 43.716 -2.850 -10.376 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.540 -0.568 -11.242 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.621 -1.505 -9.763 1.00 1.00 H new ATOM 0 HG LEU A 192 46.168 -2.533 -12.589 1.00 1.00 H new ATOM 0 HD11 LEU A 192 48.452 -2.901 -11.693 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.989 -1.186 -11.579 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.950 -2.217 -10.129 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.701 -4.691 -11.488 1.00 1.00 H new ATOM 0 HD22 LEU A 192 46.189 -4.020 -9.921 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.999 -4.243 -11.225 1.00 1.00 H new ATOM 367 N ARG A 193 42.686 -0.730 -9.392 1.00 1.00 N ATOM 368 CA ARG A 193 41.800 0.338 -8.918 1.00 1.00 C ATOM 369 C ARG A 193 42.425 1.032 -7.711 1.00 1.00 C ATOM 370 O ARG A 193 43.088 0.405 -6.889 1.00 1.00 O ATOM 371 CB ARG A 193 40.410 -0.233 -8.549 1.00 1.00 C ATOM 372 CG ARG A 193 40.291 -1.662 -9.062 1.00 1.00 C ATOM 373 CD ARG A 193 38.876 -2.179 -8.815 1.00 1.00 C ATOM 374 NE ARG A 193 38.766 -3.569 -9.245 1.00 1.00 N ATOM 375 CZ ARG A 193 38.512 -3.880 -10.513 1.00 1.00 C ATOM 376 NH1 ARG A 193 38.367 -2.933 -11.399 1.00 1.00 N ATOM 377 NH2 ARG A 193 38.413 -5.130 -10.871 1.00 1.00 N ATOM 0 H ARG A 193 43.016 -1.359 -8.660 1.00 1.00 H new ATOM 0 HA ARG A 193 41.669 1.066 -9.718 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.272 -0.212 -7.468 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.625 0.386 -8.983 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.521 -1.697 -10.127 1.00 1.00 H new ATOM 0 HG3 ARG A 193 41.016 -2.301 -8.558 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.631 -2.098 -7.756 1.00 1.00 H new ATOM 0 HD3 ARG A 193 38.157 -1.565 -9.357 1.00 1.00 H new ATOM 0 HE ARG A 193 38.886 -4.316 -8.561 1.00 1.00 H new ATOM 0 HH11 ARG A 193 38.448 -1.956 -11.119 1.00 1.00 H new ATOM 0 HH12 ARG A 193 38.172 -3.170 -12.372 1.00 1.00 H new ATOM 0 HH21 ARG A 193 38.530 -5.870 -10.179 1.00 1.00 H new ATOM 0 HH22 ARG A 193 38.218 -5.368 -11.844 1.00 1.00 H new ATOM 391 N CYS A 194 42.205 2.331 -7.618 1.00 1.00 N ATOM 392 CA CYS A 194 42.751 3.105 -6.517 1.00 1.00 C ATOM 393 C CYS A 194 42.285 2.569 -5.174 1.00 1.00 C ATOM 394 O CYS A 194 41.086 2.424 -4.938 1.00 1.00 O ATOM 395 CB CYS A 194 42.314 4.565 -6.645 1.00 1.00 C ATOM 396 SG CYS A 194 40.562 4.717 -6.200 1.00 1.00 S ATOM 0 H CYS A 194 41.655 2.870 -8.287 1.00 1.00 H new ATOM 0 HA CYS A 194 43.837 3.028 -6.564 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.921 5.195 -5.995 1.00 1.00 H new ATOM 0 HB3 CYS A 194 42.472 4.914 -7.665 1.00 1.00 H new ATOM 0 HG CYS A 194 40.179 3.644 -5.574 1.00 1.00 H new ATOM 402 N ASP A 195 43.242 2.258 -4.306 1.00 1.00 N ATOM 403 CA ASP A 195 42.936 1.732 -2.976 1.00 1.00 C ATOM 404 C ASP A 195 42.741 0.220 -3.016 1.00 1.00 C ATOM 405 O ASP A 195 42.922 -0.462 -2.008 1.00 1.00 O ATOM 406 CB ASP A 195 41.660 2.402 -2.419 1.00 1.00 C ATOM 407 CG ASP A 195 41.690 2.459 -0.895 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.727 2.800 -0.354 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.669 2.165 -0.294 1.00 1.00 O ATOM 0 H ASP A 195 44.238 2.361 -4.498 1.00 1.00 H new ATOM 0 HA ASP A 195 43.780 1.957 -2.324 1.00 1.00 H new ATOM 0 HB2 ASP A 195 41.570 3.411 -2.822 1.00 1.00 H new ATOM 0 HB3 ASP A 195 40.781 1.847 -2.748 1.00 1.00 H new ATOM 414 N GLU A 196 42.369 -0.301 -4.178 1.00 1.00 N ATOM 415 CA GLU A 196 42.150 -1.731 -4.315 1.00 1.00 C ATOM 416 C GLU A 196 43.472 -2.478 -4.262 1.00 1.00 C ATOM 417 O GLU A 196 44.538 -1.899 -4.474 1.00 1.00 O ATOM 418 CB GLU A 196 41.419 -2.017 -5.637 1.00 1.00 C ATOM 419 CG GLU A 196 41.303 -3.524 -5.863 1.00 1.00 C ATOM 420 CD GLU A 196 40.645 -4.183 -4.658 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.791 -3.551 -4.058 1.00 1.00 O ATOM 422 OE2 GLU A 196 41.004 -5.306 -4.350 1.00 1.00 O ATOM 0 H GLU A 196 42.215 0.240 -5.029 1.00 1.00 H new ATOM 0 HA GLU A 196 41.532 -2.078 -3.487 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.426 -1.568 -5.616 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.959 -1.558 -6.466 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.717 -3.721 -6.761 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.292 -3.952 -6.027 1.00 1.00 H new ATOM 429 N GLU A 197 43.395 -3.781 -4.001 1.00 1.00 N ATOM 430 CA GLU A 197 44.582 -4.624 -3.945 1.00 1.00 C ATOM 431 C GLU A 197 44.380 -5.875 -4.791 1.00 1.00 C ATOM 432 O GLU A 197 43.259 -6.209 -5.180 1.00 1.00 O ATOM 433 CB GLU A 197 44.886 -5.006 -2.499 1.00 1.00 C ATOM 434 CG GLU A 197 43.585 -5.362 -1.793 1.00 1.00 C ATOM 435 CD GLU A 197 43.885 -5.996 -0.439 1.00 1.00 C ATOM 436 OE1 GLU A 197 45.046 -6.267 -0.179 1.00 1.00 O ATOM 437 OE2 GLU A 197 42.951 -6.194 0.320 1.00 1.00 O ATOM 0 H GLU A 197 42.520 -4.275 -3.825 1.00 1.00 H new ATOM 0 HA GLU A 197 45.429 -4.066 -4.345 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.573 -5.852 -2.470 1.00 1.00 H new ATOM 0 HB3 GLU A 197 45.377 -4.179 -1.987 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.978 -4.467 -1.658 1.00 1.00 H new ATOM 0 HG3 GLU A 197 43.005 -6.052 -2.407 1.00 1.00 H new ATOM 444 N TYR A 198 45.482 -6.561 -5.077 1.00 1.00 N ATOM 445 CA TYR A 198 45.446 -7.776 -5.888 1.00 1.00 C ATOM 446 C TYR A 198 46.400 -8.822 -5.327 1.00 1.00 C ATOM 447 O TYR A 198 47.189 -8.538 -4.427 1.00 1.00 O ATOM 448 CB TYR A 198 45.839 -7.455 -7.329 1.00 1.00 C ATOM 449 CG TYR A 198 44.784 -6.577 -7.957 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.702 -5.226 -7.602 1.00 1.00 C ATOM 451 CD2 TYR A 198 43.884 -7.116 -8.885 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.719 -4.411 -8.172 1.00 1.00 C ATOM 453 CE2 TYR A 198 42.897 -6.297 -9.455 1.00 1.00 C ATOM 454 CZ TYR A 198 42.817 -4.946 -9.096 1.00 1.00 C ATOM 455 OH TYR A 198 41.843 -4.143 -9.646 1.00 1.00 O ATOM 0 H TYR A 198 46.414 -6.296 -4.759 1.00 1.00 H new ATOM 0 HA TYR A 198 44.431 -8.172 -5.866 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.805 -6.951 -7.350 1.00 1.00 H new ATOM 0 HB3 TYR A 198 45.948 -8.376 -7.901 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.398 -4.812 -6.887 1.00 1.00 H new ATOM 0 HD2 TYR A 198 43.949 -8.158 -9.161 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.657 -3.368 -7.898 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.200 -6.708 -10.170 1.00 1.00 H new ATOM 0 HH TYR A 198 41.623 -4.465 -10.545 1.00 1.00 H new ATOM 465 N TYR A 199 46.315 -10.036 -5.865 1.00 1.00 N ATOM 466 CA TYR A 199 47.166 -11.137 -5.420 1.00 1.00 C ATOM 467 C TYR A 199 48.475 -11.148 -6.192 1.00 1.00 C ATOM 468 O TYR A 199 48.484 -11.244 -7.414 1.00 1.00 O ATOM 469 CB TYR A 199 46.435 -12.486 -5.630 1.00 1.00 C ATOM 470 CG TYR A 199 46.179 -13.148 -4.296 1.00 1.00 C ATOM 471 CD1 TYR A 199 47.264 -13.588 -3.528 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.873 -13.308 -3.830 1.00 1.00 C ATOM 473 CE1 TYR A 199 47.042 -14.191 -2.289 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.645 -13.907 -2.591 1.00 1.00 C ATOM 475 CZ TYR A 199 45.730 -14.352 -1.816 1.00 1.00 C ATOM 476 OH TYR A 199 45.508 -14.938 -0.587 1.00 1.00 O ATOM 0 H TYR A 199 45.664 -10.283 -6.611 1.00 1.00 H new ATOM 0 HA TYR A 199 47.382 -10.998 -4.361 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.492 -12.321 -6.150 1.00 1.00 H new ATOM 0 HB3 TYR A 199 47.036 -13.141 -6.261 1.00 1.00 H new ATOM 0 HD1 TYR A 199 48.272 -13.461 -3.894 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.040 -12.968 -4.428 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.877 -14.533 -1.696 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.635 -14.029 -2.227 1.00 1.00 H new ATOM 0 HH TYR A 199 44.545 -14.972 -0.410 1.00 1.00 H new ATOM 486 N LEU A 200 49.575 -11.070 -5.469 1.00 1.00 N ATOM 487 CA LEU A 200 50.882 -11.090 -6.100 1.00 1.00 C ATOM 488 C LEU A 200 51.204 -12.497 -6.571 1.00 1.00 C ATOM 489 O LEU A 200 51.325 -13.422 -5.766 1.00 1.00 O ATOM 490 CB LEU A 200 51.934 -10.649 -5.084 1.00 1.00 C ATOM 491 CG LEU A 200 53.325 -10.472 -5.764 1.00 1.00 C ATOM 492 CD1 LEU A 200 54.106 -9.287 -5.131 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.150 -11.784 -5.642 1.00 1.00 C ATOM 0 H LEU A 200 49.592 -10.993 -4.452 1.00 1.00 H new ATOM 0 HA LEU A 200 50.882 -10.414 -6.955 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.628 -9.710 -4.623 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.006 -11.388 -4.286 1.00 1.00 H new ATOM 0 HG LEU A 200 53.164 -10.249 -6.819 1.00 1.00 H new ATOM 0 HD11 LEU A 200 55.073 -9.184 -5.623 1.00 1.00 H new ATOM 0 HD12 LEU A 200 53.536 -8.367 -5.257 1.00 1.00 H new ATOM 0 HD13 LEU A 200 54.258 -9.477 -4.069 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.120 -11.650 -6.120 1.00 1.00 H new ATOM 0 HD22 LEU A 200 54.295 -12.026 -4.589 1.00 1.00 H new ATOM 0 HD23 LEU A 200 53.614 -12.598 -6.131 1.00 1.00 H new ATOM 505 N LEU A 201 51.332 -12.657 -7.877 1.00 1.00 N ATOM 506 CA LEU A 201 51.633 -13.961 -8.462 1.00 1.00 C ATOM 507 C LEU A 201 53.128 -14.129 -8.678 1.00 1.00 C ATOM 508 O LEU A 201 53.727 -15.095 -8.209 1.00 1.00 O ATOM 509 CB LEU A 201 50.899 -14.092 -9.803 1.00 1.00 C ATOM 510 CG LEU A 201 49.421 -14.471 -9.559 1.00 1.00 C ATOM 511 CD1 LEU A 201 48.536 -13.923 -10.693 1.00 1.00 C ATOM 512 CD2 LEU A 201 49.287 -16.004 -9.494 1.00 1.00 C ATOM 0 H LEU A 201 51.233 -11.902 -8.556 1.00 1.00 H new ATOM 0 HA LEU A 201 51.299 -14.739 -7.775 1.00 1.00 H new ATOM 0 HB2 LEU A 201 50.957 -13.152 -10.352 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.381 -14.851 -10.419 1.00 1.00 H new ATOM 0 HG LEU A 201 49.095 -14.035 -8.615 1.00 1.00 H new ATOM 0 HD11 LEU A 201 47.497 -14.197 -10.509 1.00 1.00 H new ATOM 0 HD12 LEU A 201 48.624 -12.837 -10.731 1.00 1.00 H new ATOM 0 HD13 LEU A 201 48.860 -14.346 -11.644 1.00 1.00 H new ATOM 0 HD21 LEU A 201 48.244 -16.271 -9.322 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.622 -16.439 -10.436 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.899 -16.389 -8.678 1.00 1.00 H new ATOM 524 N ASP A 202 53.729 -13.187 -9.401 1.00 1.00 N ATOM 525 CA ASP A 202 55.159 -13.250 -9.685 1.00 1.00 C ATOM 526 C ASP A 202 55.811 -11.894 -9.451 1.00 1.00 C ATOM 527 O ASP A 202 55.789 -11.025 -10.324 1.00 1.00 O ATOM 528 CB ASP A 202 55.376 -13.681 -11.137 1.00 1.00 C ATOM 529 CG ASP A 202 56.811 -14.157 -11.327 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.630 -13.847 -10.478 1.00 1.00 O ATOM 531 OD2 ASP A 202 57.068 -14.825 -12.313 1.00 1.00 O ATOM 0 H ASP A 202 53.252 -12.377 -9.798 1.00 1.00 H new ATOM 0 HA ASP A 202 55.616 -13.978 -9.015 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.681 -14.480 -11.396 1.00 1.00 H new ATOM 0 HB3 ASP A 202 55.168 -12.848 -11.808 1.00 1.00 H new ATOM 536 N SER A 203 56.393 -11.720 -8.269 1.00 1.00 N ATOM 537 CA SER A 203 57.058 -10.466 -7.934 1.00 1.00 C ATOM 538 C SER A 203 58.468 -10.438 -8.527 1.00 1.00 C ATOM 539 O SER A 203 59.047 -9.371 -8.728 1.00 1.00 O ATOM 540 CB SER A 203 57.145 -10.308 -6.411 1.00 1.00 C ATOM 541 OG SER A 203 58.500 -10.150 -6.010 1.00 1.00 O ATOM 0 H SER A 203 56.418 -12.425 -7.532 1.00 1.00 H new ATOM 0 HA SER A 203 56.477 -9.644 -8.352 1.00 1.00 H new ATOM 0 HB2 SER A 203 56.561 -9.444 -6.094 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.713 -11.181 -5.922 1.00 1.00 H new ATOM 0 HG SER A 203 58.543 -10.048 -5.036 1.00 1.00 H new ATOM 609 N TRP A 208 57.849 -6.817 -15.233 1.00 1.00 N ATOM 610 CA TRP A 208 56.434 -6.583 -14.961 1.00 1.00 C ATOM 611 C TRP A 208 55.931 -7.487 -13.840 1.00 1.00 C ATOM 612 O TRP A 208 56.260 -8.673 -13.791 1.00 1.00 O ATOM 613 CB TRP A 208 55.624 -6.851 -16.230 1.00 1.00 C ATOM 614 CG TRP A 208 55.791 -5.718 -17.190 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.809 -5.595 -18.068 1.00 1.00 C ATOM 616 CD2 TRP A 208 54.935 -4.557 -17.388 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.638 -4.428 -18.790 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.496 -3.753 -18.407 1.00 1.00 C ATOM 619 CE3 TRP A 208 53.738 -4.125 -16.787 1.00 1.00 C ATOM 620 CZ2 TRP A 208 54.892 -2.562 -18.816 1.00 1.00 C ATOM 621 CZ3 TRP A 208 53.129 -2.930 -17.196 1.00 1.00 C ATOM 622 CH2 TRP A 208 53.703 -2.151 -18.207 1.00 1.00 C ATOM 0 HA TRP A 208 56.311 -5.546 -14.647 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.953 -7.782 -16.692 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.570 -6.975 -15.980 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.624 -6.294 -18.187 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.277 -4.105 -19.516 1.00 1.00 H new ATOM 0 HE3 TRP A 208 53.286 -4.718 -16.006 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 55.340 -1.964 -19.596 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 52.211 -2.609 -16.728 1.00 1.00 H new ATOM 0 HH2 TRP A 208 53.227 -1.232 -18.517 1.00 1.00 H new ATOM 633 N TRP A 209 55.122 -6.920 -12.946 1.00 1.00 N ATOM 634 CA TRP A 209 54.571 -7.683 -11.832 1.00 1.00 C ATOM 635 C TRP A 209 53.232 -8.294 -12.226 1.00 1.00 C ATOM 636 O TRP A 209 52.305 -7.595 -12.640 1.00 1.00 O ATOM 637 CB TRP A 209 54.392 -6.765 -10.601 1.00 1.00 C ATOM 638 CG TRP A 209 55.565 -6.885 -9.671 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.824 -7.238 -10.027 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.600 -6.665 -8.236 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.620 -7.253 -8.904 1.00 1.00 N ATOM 642 CE2 TRP A 209 56.917 -6.901 -7.779 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.631 -6.283 -7.297 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.259 -6.771 -6.440 1.00 1.00 C ATOM 645 CZ3 TRP A 209 54.973 -6.146 -5.944 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.287 -6.388 -5.518 1.00 1.00 C ATOM 0 H TRP A 209 54.836 -5.941 -12.972 1.00 1.00 H new ATOM 0 HA TRP A 209 55.263 -8.486 -11.578 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.284 -5.730 -10.926 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.476 -7.031 -10.074 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.150 -7.470 -11.030 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.611 -7.496 -8.908 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.617 -6.094 -7.617 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.271 -6.965 -6.115 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.221 -5.853 -5.227 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.546 -6.278 -4.475 1.00 1.00 H new ATOM 657 N ARG A 210 53.146 -9.611 -12.078 1.00 1.00 N ATOM 658 CA ARG A 210 51.927 -10.336 -12.401 1.00 1.00 C ATOM 659 C ARG A 210 51.008 -10.371 -11.196 1.00 1.00 C ATOM 660 O ARG A 210 51.403 -10.801 -10.111 1.00 1.00 O ATOM 661 CB ARG A 210 52.266 -11.767 -12.823 1.00 1.00 C ATOM 662 CG ARG A 210 52.882 -11.755 -14.219 1.00 1.00 C ATOM 663 CD ARG A 210 53.337 -13.169 -14.581 1.00 1.00 C ATOM 664 NE ARG A 210 53.900 -13.184 -15.926 1.00 1.00 N ATOM 665 CZ ARG A 210 54.104 -14.326 -16.575 1.00 1.00 C ATOM 666 NH1 ARG A 210 53.800 -15.460 -16.009 1.00 1.00 N ATOM 667 NH2 ARG A 210 54.608 -14.310 -17.780 1.00 1.00 N ATOM 0 H ARG A 210 53.908 -10.197 -11.736 1.00 1.00 H new ATOM 0 HA ARG A 210 51.424 -9.826 -13.223 1.00 1.00 H new ATOM 0 HB2 ARG A 210 52.961 -12.212 -12.111 1.00 1.00 H new ATOM 0 HB3 ARG A 210 51.366 -12.382 -12.817 1.00 1.00 H new ATOM 0 HG2 ARG A 210 52.154 -11.397 -14.947 1.00 1.00 H new ATOM 0 HG3 ARG A 210 53.728 -11.069 -14.250 1.00 1.00 H new ATOM 0 HD2 ARG A 210 54.080 -13.515 -13.863 1.00 1.00 H new ATOM 0 HD3 ARG A 210 52.494 -13.857 -14.523 1.00 1.00 H new ATOM 0 HE ARG A 210 54.142 -12.302 -16.377 1.00 1.00 H new ATOM 0 HH11 ARG A 210 53.406 -15.471 -15.068 1.00 1.00 H new ATOM 0 HH12 ARG A 210 53.956 -16.336 -16.507 1.00 1.00 H new ATOM 0 HH21 ARG A 210 54.845 -13.422 -18.222 1.00 1.00 H new ATOM 0 HH22 ARG A 210 54.765 -15.186 -18.279 1.00 1.00 H new ATOM 681 N VAL A 211 49.778 -9.903 -11.384 1.00 1.00 N ATOM 682 CA VAL A 211 48.806 -9.876 -10.297 1.00 1.00 C ATOM 683 C VAL A 211 47.480 -10.465 -10.758 1.00 1.00 C ATOM 684 O VAL A 211 47.214 -10.560 -11.957 1.00 1.00 O ATOM 685 CB VAL A 211 48.587 -8.439 -9.833 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.919 -7.837 -9.387 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.007 -7.612 -10.980 1.00 1.00 C ATOM 0 H VAL A 211 49.433 -9.540 -12.272 1.00 1.00 H new ATOM 0 HA VAL A 211 49.193 -10.472 -9.470 1.00 1.00 H new ATOM 0 HB VAL A 211 47.889 -8.432 -8.996 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.762 -6.811 -9.056 1.00 1.00 H new ATOM 0 HG12 VAL A 211 50.327 -8.425 -8.565 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.620 -7.845 -10.222 1.00 1.00 H new ATOM 0 HG21 VAL A 211 47.851 -6.586 -10.646 1.00 1.00 H new ATOM 0 HG22 VAL A 211 48.701 -7.619 -11.821 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.055 -8.040 -11.292 1.00 1.00 H new ATOM 697 N GLN A 212 46.647 -10.861 -9.797 1.00 1.00 N ATOM 698 CA GLN A 212 45.344 -11.443 -10.110 1.00 1.00 C ATOM 699 C GLN A 212 44.302 -11.015 -9.091 1.00 1.00 C ATOM 700 O GLN A 212 44.597 -10.855 -7.907 1.00 1.00 O ATOM 701 CB GLN A 212 45.455 -12.978 -10.148 1.00 1.00 C ATOM 702 CG GLN A 212 44.071 -13.627 -9.994 1.00 1.00 C ATOM 703 CD GLN A 212 44.129 -15.095 -10.389 1.00 1.00 C ATOM 704 OE1 GLN A 212 44.962 -15.492 -11.204 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.279 -15.928 -9.858 1.00 1.00 N ATOM 0 H GLN A 212 46.850 -10.790 -8.800 1.00 1.00 H new ATOM 0 HA GLN A 212 45.028 -11.082 -11.089 1.00 1.00 H new ATOM 0 HB2 GLN A 212 45.906 -13.292 -11.089 1.00 1.00 H new ATOM 0 HB3 GLN A 212 46.113 -13.320 -9.349 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.731 -13.534 -8.963 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.345 -13.104 -10.617 1.00 1.00 H new ATOM 0 HE21 GLN A 212 42.591 -15.594 -9.183 1.00 1.00 H new ATOM 0 HE22 GLN A 212 43.302 -16.914 -10.117 1.00 1.00 H new ATOM 714 N ASP A 213 43.067 -10.859 -9.562 1.00 1.00 N ATOM 715 CA ASP A 213 41.967 -10.478 -8.688 1.00 1.00 C ATOM 716 C ASP A 213 41.265 -11.722 -8.156 1.00 1.00 C ATOM 717 O ASP A 213 41.496 -12.833 -8.634 1.00 1.00 O ATOM 718 CB ASP A 213 40.961 -9.614 -9.449 1.00 1.00 C ATOM 719 CG ASP A 213 40.004 -8.940 -8.468 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.370 -8.802 -7.312 1.00 1.00 O ATOM 721 OD2 ASP A 213 38.921 -8.570 -8.887 1.00 1.00 O ATOM 0 H ASP A 213 42.806 -10.990 -10.539 1.00 1.00 H new ATOM 0 HA ASP A 213 42.372 -9.906 -7.853 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.487 -8.859 -10.034 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.400 -10.229 -10.153 1.00 1.00 H new ATOM 726 N LYS A 214 40.411 -11.519 -7.164 1.00 1.00 N ATOM 727 CA LYS A 214 39.667 -12.618 -6.556 1.00 1.00 C ATOM 728 C LYS A 214 38.654 -13.187 -7.548 1.00 1.00 C ATOM 729 O LYS A 214 37.965 -14.164 -7.254 1.00 1.00 O ATOM 730 CB LYS A 214 38.940 -12.127 -5.295 1.00 1.00 C ATOM 731 CG LYS A 214 39.789 -11.073 -4.575 1.00 1.00 C ATOM 732 CD LYS A 214 41.166 -11.650 -4.239 1.00 1.00 C ATOM 733 CE LYS A 214 41.974 -10.609 -3.468 1.00 1.00 C ATOM 734 NZ LYS A 214 43.227 -11.237 -2.969 1.00 1.00 N ATOM 0 H LYS A 214 40.214 -10.603 -6.761 1.00 1.00 H new ATOM 0 HA LYS A 214 40.371 -13.404 -6.281 1.00 1.00 H new ATOM 0 HB2 LYS A 214 37.973 -11.704 -5.565 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.745 -12.967 -4.628 1.00 1.00 H new ATOM 0 HG2 LYS A 214 39.899 -10.191 -5.205 1.00 1.00 H new ATOM 0 HG3 LYS A 214 39.288 -10.752 -3.662 1.00 1.00 H new ATOM 0 HD2 LYS A 214 41.058 -12.557 -3.644 1.00 1.00 H new ATOM 0 HD3 LYS A 214 41.689 -11.929 -5.154 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.209 -9.762 -4.113 1.00 1.00 H new ATOM 0 HE3 LYS A 214 41.389 -10.222 -2.634 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 43.372 -10.978 -1.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 43.153 -12.271 -3.050 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 44.033 -10.902 -3.535 1.00 1.00 H new ATOM 748 N ASN A 215 38.555 -12.553 -8.714 1.00 1.00 N ATOM 749 CA ASN A 215 37.605 -12.988 -9.734 1.00 1.00 C ATOM 750 C ASN A 215 38.226 -14.041 -10.640 1.00 1.00 C ATOM 751 O ASN A 215 37.550 -14.617 -11.493 1.00 1.00 O ATOM 752 CB ASN A 215 37.160 -11.787 -10.571 1.00 1.00 C ATOM 753 CG ASN A 215 36.390 -10.800 -9.696 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.923 -11.188 -8.540 1.00 1.00 O flip ATOM 755 ND2 ASN A 215 36.214 -9.642 -10.075 1.00 1.00 N flip ATOM 0 H ASN A 215 39.116 -11.742 -8.975 1.00 1.00 H new ATOM 0 HA ASN A 215 36.741 -13.428 -9.235 1.00 1.00 H new ATOM 0 HB2 ASN A 215 38.029 -11.296 -11.010 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.532 -12.121 -11.397 1.00 1.00 H new ATOM 0 HD21 ASN A 215 36.579 -9.340 -10.978 1.00 1.00 H new ATOM 0 HD22 ASN A 215 35.703 -8.985 -9.486 1.00 1.00 H new ATOM 762 N GLY A 216 39.520 -14.292 -10.456 1.00 1.00 N ATOM 763 CA GLY A 216 40.221 -15.282 -11.266 1.00 1.00 C ATOM 764 C GLY A 216 40.762 -14.663 -12.548 1.00 1.00 C ATOM 765 O GLY A 216 40.988 -15.360 -13.538 1.00 1.00 O ATOM 0 H GLY A 216 40.100 -13.827 -9.758 1.00 1.00 H new ATOM 0 HA2 GLY A 216 41.042 -15.710 -10.691 1.00 1.00 H new ATOM 0 HA3 GLY A 216 39.544 -16.100 -11.512 1.00 1.00 H new ATOM 769 N HIS A 217 40.973 -13.348 -12.529 1.00 1.00 N ATOM 770 CA HIS A 217 41.498 -12.640 -13.697 1.00 1.00 C ATOM 771 C HIS A 217 42.930 -12.195 -13.433 1.00 1.00 C ATOM 772 O HIS A 217 43.219 -11.593 -12.402 1.00 1.00 O ATOM 773 CB HIS A 217 40.627 -11.422 -13.999 1.00 1.00 C ATOM 774 CG HIS A 217 39.240 -11.872 -14.338 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.182 -10.984 -14.430 1.00 1.00 N ATOM 776 CD2 HIS A 217 38.719 -13.110 -14.610 1.00 1.00 C ATOM 777 CE1 HIS A 217 37.085 -11.694 -14.746 1.00 1.00 C ATOM 778 NE2 HIS A 217 37.357 -12.996 -14.870 1.00 1.00 N ATOM 0 H HIS A 217 40.790 -12.753 -11.721 1.00 1.00 H new ATOM 0 HA HIS A 217 41.485 -13.312 -14.555 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.604 -10.755 -13.137 1.00 1.00 H new ATOM 0 HB3 HIS A 217 41.050 -10.856 -14.829 1.00 1.00 H new ATOM 0 HD2 HIS A 217 39.280 -14.033 -14.621 1.00 1.00 H new ATOM 0 HE1 HIS A 217 36.104 -11.264 -14.883 1.00 1.00 H new ATOM 0 HE2 HIS A 217 36.706 -13.745 -15.105 1.00 1.00 H new ATOM 786 N GLU A 218 43.829 -12.512 -14.365 1.00 1.00 N ATOM 787 CA GLU A 218 45.244 -12.167 -14.223 1.00 1.00 C ATOM 788 C GLU A 218 45.693 -11.222 -15.331 1.00 1.00 C ATOM 789 O GLU A 218 45.134 -11.228 -16.428 1.00 1.00 O ATOM 790 CB GLU A 218 46.084 -13.450 -14.265 1.00 1.00 C ATOM 791 CG GLU A 218 45.538 -14.386 -15.347 1.00 1.00 C ATOM 792 CD GLU A 218 46.419 -15.625 -15.456 1.00 1.00 C ATOM 793 OE1 GLU A 218 47.612 -15.500 -15.238 1.00 1.00 O ATOM 794 OE2 GLU A 218 45.886 -16.683 -15.749 1.00 1.00 O ATOM 0 H GLU A 218 43.602 -13.008 -15.227 1.00 1.00 H new ATOM 0 HA GLU A 218 45.384 -11.660 -13.268 1.00 1.00 H new ATOM 0 HB2 GLU A 218 47.126 -13.208 -14.472 1.00 1.00 H new ATOM 0 HB3 GLU A 218 46.058 -13.945 -13.294 1.00 1.00 H new ATOM 0 HG2 GLU A 218 44.515 -14.677 -15.106 1.00 1.00 H new ATOM 0 HG3 GLU A 218 45.505 -13.868 -16.305 1.00 1.00 H new ATOM 801 N GLY A 219 46.724 -10.429 -15.050 1.00 1.00 N ATOM 802 CA GLY A 219 47.259 -9.506 -16.041 1.00 1.00 C ATOM 803 C GLY A 219 48.466 -8.768 -15.476 1.00 1.00 C ATOM 804 O GLY A 219 48.623 -8.648 -14.256 1.00 1.00 O ATOM 0 H GLY A 219 47.202 -10.408 -14.149 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.546 -10.052 -16.940 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.491 -8.791 -16.334 1.00 1.00 H new ATOM 808 N TYR A 220 49.329 -8.287 -16.362 1.00 1.00 N ATOM 809 CA TYR A 220 50.530 -7.579 -15.941 1.00 1.00 C ATOM 810 C TYR A 220 50.161 -6.277 -15.268 1.00 1.00 C ATOM 811 O TYR A 220 49.269 -5.562 -15.721 1.00 1.00 O ATOM 812 CB TYR A 220 51.417 -7.300 -17.171 1.00 1.00 C ATOM 813 CG TYR A 220 52.306 -8.491 -17.458 1.00 1.00 C ATOM 814 CD1 TYR A 220 51.863 -9.795 -17.186 1.00 1.00 C ATOM 815 CD2 TYR A 220 53.588 -8.286 -17.981 1.00 1.00 C ATOM 816 CE1 TYR A 220 52.700 -10.883 -17.438 1.00 1.00 C ATOM 817 CE2 TYR A 220 54.426 -9.379 -18.229 1.00 1.00 C ATOM 818 CZ TYR A 220 53.981 -10.677 -17.957 1.00 1.00 C ATOM 819 OH TYR A 220 54.804 -11.756 -18.199 1.00 1.00 O ATOM 0 H TYR A 220 49.220 -8.374 -17.372 1.00 1.00 H new ATOM 0 HA TYR A 220 51.078 -8.196 -15.229 1.00 1.00 H new ATOM 0 HB2 TYR A 220 50.792 -7.087 -18.038 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.029 -6.415 -16.994 1.00 1.00 H new ATOM 0 HD1 TYR A 220 50.875 -9.956 -16.782 1.00 1.00 H new ATOM 0 HD2 TYR A 220 53.931 -7.284 -18.193 1.00 1.00 H new ATOM 0 HE1 TYR A 220 52.357 -11.886 -17.232 1.00 1.00 H new ATOM 0 HE2 TYR A 220 55.416 -9.220 -18.630 1.00 1.00 H new ATOM 0 HH TYR A 220 55.659 -11.441 -18.560 1.00 1.00 H new ATOM 829 N ALA A 221 50.847 -5.978 -14.169 1.00 1.00 N ATOM 830 CA ALA A 221 50.581 -4.756 -13.423 1.00 1.00 C ATOM 831 C ALA A 221 51.890 -4.030 -13.083 1.00 1.00 C ATOM 832 O ALA A 221 52.795 -4.628 -12.497 1.00 1.00 O ATOM 833 CB ALA A 221 49.826 -5.093 -12.135 1.00 1.00 C ATOM 0 H ALA A 221 51.586 -6.562 -13.778 1.00 1.00 H new ATOM 0 HA ALA A 221 49.972 -4.097 -14.042 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.628 -4.177 -11.579 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.882 -5.578 -12.383 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.429 -5.765 -11.525 1.00 1.00 H new ATOM 839 N PRO A 222 52.004 -2.761 -13.410 1.00 1.00 N ATOM 840 CA PRO A 222 53.227 -1.969 -13.093 1.00 1.00 C ATOM 841 C PRO A 222 53.609 -2.078 -11.612 1.00 1.00 C ATOM 842 O PRO A 222 52.861 -1.645 -10.741 1.00 1.00 O ATOM 843 CB PRO A 222 52.827 -0.527 -13.448 1.00 1.00 C ATOM 844 CG PRO A 222 51.703 -0.640 -14.425 1.00 1.00 C ATOM 845 CD PRO A 222 50.990 -1.950 -14.113 1.00 1.00 C ATOM 0 HA PRO A 222 54.100 -2.321 -13.642 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.517 0.022 -12.559 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.667 0.016 -13.881 1.00 1.00 H new ATOM 0 HG2 PRO A 222 51.021 0.205 -14.331 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.077 -0.636 -15.449 1.00 1.00 H new ATOM 0 HD2 PRO A 222 50.111 -1.785 -13.490 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.648 -2.443 -15.023 1.00 1.00 H new ATOM 853 N SER A 223 54.780 -2.646 -11.348 1.00 1.00 N ATOM 854 CA SER A 223 55.276 -2.806 -9.980 1.00 1.00 C ATOM 855 C SER A 223 55.594 -1.450 -9.354 1.00 1.00 C ATOM 856 O SER A 223 55.829 -1.348 -8.151 1.00 1.00 O ATOM 857 CB SER A 223 56.545 -3.667 -9.980 1.00 1.00 C ATOM 858 OG SER A 223 56.401 -4.722 -10.918 1.00 1.00 O ATOM 0 H SER A 223 55.409 -3.006 -12.066 1.00 1.00 H new ATOM 0 HA SER A 223 54.497 -3.293 -9.394 1.00 1.00 H new ATOM 0 HB2 SER A 223 57.412 -3.056 -10.234 1.00 1.00 H new ATOM 0 HB3 SER A 223 56.722 -4.073 -8.984 1.00 1.00 H new ATOM 0 HG SER A 223 56.439 -5.583 -10.451 1.00 1.00 H new ATOM 864 N SER A 224 55.597 -0.413 -10.185 1.00 1.00 N ATOM 865 CA SER A 224 55.890 0.940 -9.714 1.00 1.00 C ATOM 866 C SER A 224 54.644 1.652 -9.197 1.00 1.00 C ATOM 867 O SER A 224 54.703 2.378 -8.207 1.00 1.00 O ATOM 868 CB SER A 224 56.491 1.761 -10.848 1.00 1.00 C ATOM 869 OG SER A 224 57.812 1.307 -11.109 1.00 1.00 O ATOM 0 H SER A 224 55.401 -0.480 -11.184 1.00 1.00 H new ATOM 0 HA SER A 224 56.596 0.849 -8.889 1.00 1.00 H new ATOM 0 HB2 SER A 224 55.878 1.667 -11.745 1.00 1.00 H new ATOM 0 HB3 SER A 224 56.504 2.817 -10.580 1.00 1.00 H new ATOM 0 HG SER A 224 58.200 1.833 -11.839 1.00 1.00 H new ATOM 875 N TYR A 225 53.521 1.457 -9.880 1.00 1.00 N ATOM 876 CA TYR A 225 52.277 2.117 -9.489 1.00 1.00 C ATOM 877 C TYR A 225 51.572 1.348 -8.383 1.00 1.00 C ATOM 878 O TYR A 225 50.354 1.426 -8.235 1.00 1.00 O ATOM 879 CB TYR A 225 51.350 2.236 -10.699 1.00 1.00 C ATOM 880 CG TYR A 225 51.921 3.244 -11.676 1.00 1.00 C ATOM 881 CD1 TYR A 225 53.088 2.947 -12.395 1.00 1.00 C ATOM 882 CD2 TYR A 225 51.285 4.479 -11.859 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.614 3.883 -13.295 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.811 5.413 -12.758 1.00 1.00 C ATOM 885 CZ TYR A 225 52.974 5.115 -13.476 1.00 1.00 C ATOM 886 OH TYR A 225 53.493 6.038 -14.362 1.00 1.00 O ATOM 0 H TYR A 225 53.444 0.854 -10.699 1.00 1.00 H new ATOM 0 HA TYR A 225 52.524 3.110 -9.115 1.00 1.00 H new ATOM 0 HB2 TYR A 225 51.241 1.266 -11.183 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.355 2.547 -10.379 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.581 1.997 -12.255 1.00 1.00 H new ATOM 0 HD2 TYR A 225 50.387 4.710 -11.305 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.513 3.654 -13.849 1.00 1.00 H new ATOM 0 HE2 TYR A 225 51.319 6.364 -12.898 1.00 1.00 H new ATOM 0 HH TYR A 225 52.928 6.839 -14.369 1.00 1.00 H new ATOM 896 N LEU A 226 52.350 0.602 -7.607 1.00 1.00 N ATOM 897 CA LEU A 226 51.799 -0.172 -6.503 1.00 1.00 C ATOM 898 C LEU A 226 52.866 -0.433 -5.448 1.00 1.00 C ATOM 899 O LEU A 226 54.045 -0.145 -5.660 1.00 1.00 O ATOM 900 CB LEU A 226 51.232 -1.490 -7.015 1.00 1.00 C ATOM 901 CG LEU A 226 52.312 -2.253 -7.799 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.338 -2.906 -6.847 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.627 -3.319 -8.668 1.00 1.00 C ATOM 0 H LEU A 226 53.360 0.517 -7.722 1.00 1.00 H new ATOM 0 HA LEU A 226 50.994 0.403 -6.046 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.881 -2.095 -6.179 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.370 -1.301 -7.655 1.00 1.00 H new ATOM 0 HG LEU A 226 52.858 -1.553 -8.432 1.00 1.00 H new ATOM 0 HD11 LEU A 226 54.089 -3.438 -7.431 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.823 -2.134 -6.250 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.827 -3.608 -6.187 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.381 -3.869 -9.231 1.00 1.00 H new ATOM 0 HD22 LEU A 226 51.075 -4.009 -8.030 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.938 -2.836 -9.361 1.00 1.00 H new ATOM 915 N VAL A 227 52.452 -0.992 -4.315 1.00 1.00 N ATOM 916 CA VAL A 227 53.383 -1.307 -3.230 1.00 1.00 C ATOM 917 C VAL A 227 53.015 -2.631 -2.572 1.00 1.00 C ATOM 918 O VAL A 227 51.873 -3.081 -2.656 1.00 1.00 O ATOM 919 CB VAL A 227 53.373 -0.193 -2.185 1.00 1.00 C ATOM 920 CG1 VAL A 227 54.054 1.048 -2.760 1.00 1.00 C ATOM 921 CG2 VAL A 227 51.926 0.142 -1.819 1.00 1.00 C ATOM 0 H VAL A 227 51.481 -1.237 -4.122 1.00 1.00 H new ATOM 0 HA VAL A 227 54.383 -1.392 -3.654 1.00 1.00 H new ATOM 0 HB VAL A 227 53.909 -0.521 -1.294 1.00 1.00 H new ATOM 0 HG11 VAL A 227 54.048 1.844 -2.016 1.00 1.00 H new ATOM 0 HG12 VAL A 227 55.083 0.808 -3.026 1.00 1.00 H new ATOM 0 HG13 VAL A 227 53.517 1.379 -3.649 1.00 1.00 H new ATOM 0 HG21 VAL A 227 51.914 0.937 -1.073 1.00 1.00 H new ATOM 0 HG22 VAL A 227 51.392 0.473 -2.710 1.00 1.00 H new ATOM 0 HG23 VAL A 227 51.439 -0.744 -1.412 1.00 1.00 H new ATOM 931 N GLU A 228 53.990 -3.248 -1.914 1.00 1.00 N ATOM 932 CA GLU A 228 53.755 -4.517 -1.237 1.00 1.00 C ATOM 933 C GLU A 228 52.892 -4.321 -0.003 1.00 1.00 C ATOM 934 O GLU A 228 53.098 -3.386 0.771 1.00 1.00 O ATOM 935 CB GLU A 228 55.083 -5.157 -0.829 1.00 1.00 C ATOM 936 CG GLU A 228 55.796 -5.675 -2.072 1.00 1.00 C ATOM 937 CD GLU A 228 57.135 -6.296 -1.686 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.472 -6.249 -0.515 1.00 1.00 O ATOM 939 OE2 GLU A 228 57.800 -6.817 -2.566 1.00 1.00 O ATOM 0 H GLU A 228 54.943 -2.893 -1.835 1.00 1.00 H new ATOM 0 HA GLU A 228 53.233 -5.175 -1.932 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.708 -4.427 -0.315 1.00 1.00 H new ATOM 0 HB3 GLU A 228 54.906 -5.974 -0.130 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.174 -6.415 -2.576 1.00 1.00 H new ATOM 0 HG3 GLU A 228 55.954 -4.859 -2.777 1.00 1.00 H new ATOM 946 N LYS A 229 51.922 -5.213 0.178 1.00 1.00 N ATOM 947 CA LYS A 229 51.026 -5.139 1.333 1.00 1.00 C ATOM 948 C LYS A 229 51.554 -5.999 2.476 1.00 1.00 C ATOM 949 O LYS A 229 51.417 -5.647 3.648 1.00 1.00 O ATOM 950 CB LYS A 229 49.619 -5.603 0.948 1.00 1.00 C ATOM 951 CG LYS A 229 48.657 -5.320 2.102 1.00 1.00 C ATOM 952 CD LYS A 229 47.233 -5.650 1.658 1.00 1.00 C ATOM 953 CE LYS A 229 46.263 -5.379 2.811 1.00 1.00 C ATOM 954 NZ LYS A 229 44.871 -5.682 2.374 1.00 1.00 N ATOM 0 H LYS A 229 51.735 -5.991 -0.454 1.00 1.00 H new ATOM 0 HA LYS A 229 50.982 -4.101 1.662 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.287 -5.085 0.048 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.626 -6.669 0.719 1.00 1.00 H new ATOM 0 HG2 LYS A 229 48.928 -5.918 2.972 1.00 1.00 H new ATOM 0 HG3 LYS A 229 48.725 -4.274 2.400 1.00 1.00 H new ATOM 0 HD2 LYS A 229 46.962 -5.047 0.791 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.169 -6.694 1.352 1.00 1.00 H new ATOM 0 HE2 LYS A 229 46.526 -5.992 3.673 1.00 1.00 H new ATOM 0 HE3 LYS A 229 46.338 -4.338 3.126 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 44.329 -6.059 3.178 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 44.418 -4.812 2.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 44.893 -6.388 1.610 1.00 1.00 H new