USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=12 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 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 -66:sc= 1.18 USER MOD Single : A 198 TYR OH : rot 123:sc= -0.26 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= -0.0808 K(o=-0.081,f=-2!) USER MOD Single : A 214 LYS NZ :NH3+ 168:sc= -0.255 (180deg=-0.373) USER MOD Single : A 215 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.8!) USER MOD Single : A 217 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.0075) USER MOD Single : A 220 TYR OH : rot 180:sc= 0 USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 110:sc= 0.619 USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.465 -12.397 -0.835 1.00 1.00 N ATOM 66 CA THR A 174 52.182 -10.990 -0.527 1.00 1.00 C ATOM 67 C THR A 174 51.145 -10.389 -1.487 1.00 1.00 C ATOM 68 O THR A 174 50.910 -10.886 -2.584 1.00 1.00 O ATOM 69 CB THR A 174 53.487 -10.161 -0.574 1.00 1.00 C ATOM 70 OG1 THR A 174 53.421 -9.127 0.401 1.00 1.00 O ATOM 71 CG2 THR A 174 53.700 -9.529 -1.969 1.00 1.00 C ATOM 0 HA THR A 174 51.762 -10.954 0.478 1.00 1.00 H new ATOM 0 HB THR A 174 54.324 -10.828 -0.367 1.00 1.00 H new ATOM 0 HG1 THR A 174 54.247 -8.600 0.376 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.625 -8.953 -1.970 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.762 -10.317 -2.720 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.863 -8.871 -2.202 1.00 1.00 H new ATOM 79 N LEU A 175 50.526 -9.299 -1.078 1.00 1.00 N ATOM 80 CA LEU A 175 49.535 -8.641 -1.928 1.00 1.00 C ATOM 81 C LEU A 175 50.032 -7.254 -2.287 1.00 1.00 C ATOM 82 O LEU A 175 50.825 -6.664 -1.554 1.00 1.00 O ATOM 83 CB LEU A 175 48.190 -8.550 -1.210 1.00 1.00 C ATOM 84 CG LEU A 175 47.921 -9.843 -0.447 1.00 1.00 C ATOM 85 CD1 LEU A 175 46.627 -9.699 0.353 1.00 1.00 C ATOM 86 CD2 LEU A 175 47.794 -11.010 -1.434 1.00 1.00 C ATOM 0 H LEU A 175 50.684 -8.850 -0.176 1.00 1.00 H new ATOM 0 HA LEU A 175 49.396 -9.226 -2.837 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.192 -7.705 -0.522 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.394 -8.371 -1.932 1.00 1.00 H new ATOM 0 HG LEU A 175 48.748 -10.042 0.234 1.00 1.00 H new ATOM 0 HD11 LEU A 175 46.432 -10.622 0.899 1.00 1.00 H new ATOM 0 HD12 LEU A 175 46.725 -8.874 1.058 1.00 1.00 H new ATOM 0 HD13 LEU A 175 45.799 -9.499 -0.327 1.00 1.00 H new ATOM 0 HD21 LEU A 175 47.602 -11.932 -0.885 1.00 1.00 H new ATOM 0 HD22 LEU A 175 46.969 -10.818 -2.120 1.00 1.00 H new ATOM 0 HD23 LEU A 175 48.720 -11.111 -1.999 1.00 1.00 H new ATOM 98 N VAL A 176 49.568 -6.738 -3.420 1.00 1.00 N ATOM 99 CA VAL A 176 49.972 -5.408 -3.876 1.00 1.00 C ATOM 100 C VAL A 176 48.762 -4.499 -3.916 1.00 1.00 C ATOM 101 O VAL A 176 47.640 -4.970 -4.045 1.00 1.00 O ATOM 102 CB VAL A 176 50.598 -5.493 -5.274 1.00 1.00 C ATOM 103 CG1 VAL A 176 52.040 -5.973 -5.159 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.810 -6.479 -6.133 1.00 1.00 C ATOM 0 H VAL A 176 48.914 -7.217 -4.039 1.00 1.00 H new ATOM 0 HA VAL A 176 50.711 -5.005 -3.183 1.00 1.00 H new ATOM 0 HB VAL A 176 50.574 -4.506 -5.736 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.484 -6.033 -6.153 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.609 -5.272 -4.549 1.00 1.00 H new ATOM 0 HG13 VAL A 176 52.059 -6.958 -4.693 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.258 -6.536 -7.125 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.831 -7.465 -5.668 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.777 -6.141 -6.220 1.00 1.00 H new ATOM 114 N ILE A 177 49.002 -3.194 -3.794 1.00 1.00 N ATOM 115 CA ILE A 177 47.917 -2.213 -3.806 1.00 1.00 C ATOM 116 C ILE A 177 48.156 -1.182 -4.900 1.00 1.00 C ATOM 117 O ILE A 177 49.252 -0.633 -5.016 1.00 1.00 O ATOM 118 CB ILE A 177 47.846 -1.504 -2.449 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.777 -2.561 -1.340 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.588 -0.625 -2.395 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.489 -1.890 0.007 1.00 1.00 C ATOM 0 H ILE A 177 49.934 -2.793 -3.686 1.00 1.00 H new ATOM 0 HA ILE A 177 46.977 -2.730 -3.999 1.00 1.00 H new ATOM 0 HB ILE A 177 48.728 -0.879 -2.312 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.997 -3.288 -1.567 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.718 -3.108 -1.289 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.538 -0.121 -1.430 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.629 0.118 -3.191 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.703 -1.248 -2.526 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.442 -2.648 0.789 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.284 -1.181 0.237 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.536 -1.363 -0.045 1.00 1.00 H new ATOM 133 N ALA A 178 47.116 -0.921 -5.687 1.00 1.00 N ATOM 134 CA ALA A 178 47.207 0.052 -6.773 1.00 1.00 C ATOM 135 C ALA A 178 47.081 1.478 -6.233 1.00 1.00 C ATOM 136 O ALA A 178 46.005 1.896 -5.803 1.00 1.00 O ATOM 137 CB ALA A 178 46.101 -0.217 -7.813 1.00 1.00 C ATOM 0 H ALA A 178 46.204 -1.367 -5.594 1.00 1.00 H new ATOM 0 HA ALA A 178 48.182 -0.052 -7.250 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.175 0.512 -8.620 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.220 -1.221 -8.220 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.125 -0.132 -7.336 1.00 1.00 H new ATOM 143 N LEU A 179 48.183 2.215 -6.262 1.00 1.00 N ATOM 144 CA LEU A 179 48.179 3.589 -5.780 1.00 1.00 C ATOM 145 C LEU A 179 47.266 4.452 -6.638 1.00 1.00 C ATOM 146 O LEU A 179 46.518 5.279 -6.121 1.00 1.00 O ATOM 147 CB LEU A 179 49.599 4.154 -5.810 1.00 1.00 C ATOM 148 CG LEU A 179 50.458 3.439 -4.757 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.928 3.816 -4.964 1.00 1.00 C ATOM 150 CD2 LEU A 179 50.014 3.836 -3.332 1.00 1.00 C ATOM 0 H LEU A 179 49.084 1.888 -6.611 1.00 1.00 H new ATOM 0 HA LEU A 179 47.807 3.597 -4.755 1.00 1.00 H new ATOM 0 HB2 LEU A 179 50.034 4.021 -6.801 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.579 5.226 -5.612 1.00 1.00 H new ATOM 0 HG LEU A 179 50.333 2.362 -4.870 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.542 3.311 -4.218 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.245 3.512 -5.962 1.00 1.00 H new ATOM 0 HD13 LEU A 179 52.045 4.895 -4.860 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.635 3.319 -2.600 1.00 1.00 H new ATOM 0 HD22 LEU A 179 50.123 4.913 -3.204 1.00 1.00 H new ATOM 0 HD23 LEU A 179 48.971 3.557 -3.185 1.00 1.00 H new ATOM 162 N TYR A 180 47.335 4.254 -7.953 1.00 1.00 N ATOM 163 CA TYR A 180 46.510 5.019 -8.892 1.00 1.00 C ATOM 164 C TYR A 180 45.603 4.087 -9.682 1.00 1.00 C ATOM 165 O TYR A 180 45.913 2.910 -9.867 1.00 1.00 O ATOM 166 CB TYR A 180 47.406 5.801 -9.852 1.00 1.00 C ATOM 167 CG TYR A 180 48.254 6.776 -9.069 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.728 8.018 -8.694 1.00 1.00 C ATOM 169 CD2 TYR A 180 49.567 6.438 -8.718 1.00 1.00 C ATOM 170 CE1 TYR A 180 48.513 8.923 -7.970 1.00 1.00 C ATOM 171 CE2 TYR A 180 50.353 7.343 -7.993 1.00 1.00 C ATOM 172 CZ TYR A 180 49.826 8.585 -7.619 1.00 1.00 C ATOM 173 OH TYR A 180 50.601 9.477 -6.905 1.00 1.00 O ATOM 0 H TYR A 180 47.952 3.572 -8.394 1.00 1.00 H new ATOM 0 HA TYR A 180 45.892 5.715 -8.326 1.00 1.00 H new ATOM 0 HB2 TYR A 180 48.043 5.116 -10.411 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.797 6.336 -10.581 1.00 1.00 H new ATOM 0 HD1 TYR A 180 46.715 8.278 -8.964 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.973 5.480 -9.006 1.00 1.00 H new ATOM 0 HE1 TYR A 180 48.106 9.881 -7.682 1.00 1.00 H new ATOM 0 HE2 TYR A 180 51.366 7.083 -7.723 1.00 1.00 H new ATOM 0 HH TYR A 180 51.485 9.086 -6.743 1.00 1.00 H new ATOM 183 N ASP A 181 44.479 4.621 -10.141 1.00 1.00 N ATOM 184 CA ASP A 181 43.527 3.827 -10.907 1.00 1.00 C ATOM 185 C ASP A 181 44.069 3.545 -12.302 1.00 1.00 C ATOM 186 O ASP A 181 43.923 4.362 -13.210 1.00 1.00 O ATOM 187 CB ASP A 181 42.200 4.579 -11.024 1.00 1.00 C ATOM 188 CG ASP A 181 41.556 4.716 -9.650 1.00 1.00 C ATOM 189 OD1 ASP A 181 41.349 3.699 -9.014 1.00 1.00 O ATOM 190 OD2 ASP A 181 41.278 5.836 -9.256 1.00 1.00 O ATOM 0 H ASP A 181 44.205 5.593 -9.998 1.00 1.00 H new ATOM 0 HA ASP A 181 43.370 2.881 -10.388 1.00 1.00 H new ATOM 0 HB2 ASP A 181 42.368 5.566 -11.456 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.529 4.046 -11.698 1.00 1.00 H new ATOM 195 N TYR A 182 44.690 2.378 -12.469 1.00 1.00 N ATOM 196 CA TYR A 182 45.244 1.989 -13.766 1.00 1.00 C ATOM 197 C TYR A 182 44.300 1.021 -14.469 1.00 1.00 C ATOM 198 O TYR A 182 43.914 -0.002 -13.904 1.00 1.00 O ATOM 199 CB TYR A 182 46.608 1.323 -13.577 1.00 1.00 C ATOM 200 CG TYR A 182 47.169 0.946 -14.923 1.00 1.00 C ATOM 201 CD1 TYR A 182 46.784 -0.255 -15.533 1.00 1.00 C ATOM 202 CD2 TYR A 182 48.085 1.793 -15.558 1.00 1.00 C ATOM 203 CE1 TYR A 182 47.312 -0.605 -16.779 1.00 1.00 C ATOM 204 CE2 TYR A 182 48.612 1.442 -16.805 1.00 1.00 C ATOM 205 CZ TYR A 182 48.226 0.243 -17.416 1.00 1.00 C ATOM 206 OH TYR A 182 48.747 -0.104 -18.645 1.00 1.00 O ATOM 0 H TYR A 182 44.822 1.689 -11.728 1.00 1.00 H new ATOM 0 HA TYR A 182 45.362 2.884 -14.376 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.289 2.002 -13.064 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.509 0.437 -12.950 1.00 1.00 H new ATOM 0 HD1 TYR A 182 46.080 -0.910 -15.041 1.00 1.00 H new ATOM 0 HD2 TYR A 182 48.384 2.717 -15.085 1.00 1.00 H new ATOM 0 HE1 TYR A 182 47.015 -1.530 -17.251 1.00 1.00 H new ATOM 0 HE2 TYR A 182 49.317 2.096 -17.297 1.00 1.00 H new ATOM 0 HH TYR A 182 49.365 0.594 -18.947 1.00 1.00 H new ATOM 319 N LEU A 190 45.952 -6.016 -16.274 1.00 1.00 N ATOM 320 CA LEU A 190 44.869 -6.246 -15.318 1.00 1.00 C ATOM 321 C LEU A 190 44.302 -4.920 -14.824 1.00 1.00 C ATOM 322 O LEU A 190 45.048 -4.030 -14.429 1.00 1.00 O ATOM 323 CB LEU A 190 45.386 -7.056 -14.122 1.00 1.00 C ATOM 324 CG LEU A 190 44.214 -7.429 -13.201 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.276 -8.429 -13.904 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.762 -8.052 -11.917 1.00 1.00 C ATOM 0 HA LEU A 190 44.080 -6.804 -15.822 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.887 -7.959 -14.472 1.00 1.00 H new ATOM 0 HB3 LEU A 190 46.124 -6.475 -13.569 1.00 1.00 H new ATOM 0 HG LEU A 190 43.647 -6.529 -12.962 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.451 -8.683 -13.239 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.882 -7.979 -14.815 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.831 -9.333 -14.156 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.934 -8.319 -11.260 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.334 -8.947 -12.162 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.410 -7.335 -11.412 1.00 1.00 H new ATOM 338 N ALA A 191 42.977 -4.803 -14.843 1.00 1.00 N ATOM 339 CA ALA A 191 42.318 -3.584 -14.380 1.00 1.00 C ATOM 340 C ALA A 191 42.575 -3.383 -12.892 1.00 1.00 C ATOM 341 O ALA A 191 42.158 -4.195 -12.067 1.00 1.00 O ATOM 342 CB ALA A 191 40.812 -3.677 -14.629 1.00 1.00 C ATOM 0 H ALA A 191 42.342 -5.531 -15.171 1.00 1.00 H new ATOM 0 HA ALA A 191 42.723 -2.736 -14.932 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.329 -2.764 -14.281 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.627 -3.802 -15.696 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.406 -4.532 -14.088 1.00 1.00 H new ATOM 348 N LEU A 192 43.273 -2.300 -12.552 1.00 1.00 N ATOM 349 CA LEU A 192 43.594 -2.001 -11.153 1.00 1.00 C ATOM 350 C LEU A 192 42.725 -0.862 -10.642 1.00 1.00 C ATOM 351 O LEU A 192 42.287 -0.009 -11.414 1.00 1.00 O ATOM 352 CB LEU A 192 45.057 -1.603 -11.028 1.00 1.00 C ATOM 353 CG LEU A 192 45.921 -2.569 -11.841 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.404 -2.233 -11.641 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.648 -4.018 -11.392 1.00 1.00 C ATOM 0 H LEU A 192 43.627 -1.616 -13.221 1.00 1.00 H new ATOM 0 HA LEU A 192 43.404 -2.895 -10.559 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.199 -0.583 -11.385 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.361 -1.619 -9.981 1.00 1.00 H new ATOM 0 HG LEU A 192 45.672 -2.470 -12.897 1.00 1.00 H new ATOM 0 HD11 LEU A 192 48.015 -2.924 -12.222 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.594 -1.213 -11.974 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.658 -2.324 -10.585 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.266 -4.702 -11.974 1.00 1.00 H new ATOM 0 HD22 LEU A 192 45.889 -4.123 -10.334 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.596 -4.256 -11.550 1.00 1.00 H new ATOM 367 N ARG A 193 42.474 -0.855 -9.333 1.00 1.00 N ATOM 368 CA ARG A 193 41.641 0.184 -8.718 1.00 1.00 C ATOM 369 C ARG A 193 42.362 0.783 -7.515 1.00 1.00 C ATOM 370 O ARG A 193 43.109 0.099 -6.819 1.00 1.00 O ATOM 371 CB ARG A 193 40.280 -0.401 -8.282 1.00 1.00 C ATOM 372 CG ARG A 193 39.989 -1.668 -9.076 1.00 1.00 C ATOM 373 CD ARG A 193 38.506 -2.024 -8.968 1.00 1.00 C ATOM 374 NE ARG A 193 38.165 -2.319 -7.582 1.00 1.00 N ATOM 375 CZ ARG A 193 38.330 -3.538 -7.076 1.00 1.00 C ATOM 376 NH1 ARG A 193 38.812 -4.494 -7.822 1.00 1.00 N ATOM 377 NH2 ARG A 193 38.015 -3.776 -5.833 1.00 1.00 N ATOM 0 H ARG A 193 42.832 -1.552 -8.679 1.00 1.00 H new ATOM 0 HA ARG A 193 41.461 0.968 -9.454 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.294 -0.624 -7.215 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.489 0.331 -8.445 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.261 -1.522 -10.121 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.597 -2.491 -8.700 1.00 1.00 H new ATOM 0 HD2 ARG A 193 37.897 -1.197 -9.333 1.00 1.00 H new ATOM 0 HD3 ARG A 193 38.283 -2.886 -9.597 1.00 1.00 H new ATOM 0 HE ARG A 193 37.793 -1.577 -6.989 1.00 1.00 H new ATOM 0 HH11 ARG A 193 39.062 -4.306 -8.793 1.00 1.00 H new ATOM 0 HH12 ARG A 193 38.939 -5.429 -7.434 1.00 1.00 H new ATOM 0 HH21 ARG A 193 37.642 -3.027 -5.249 1.00 1.00 H new ATOM 0 HH22 ARG A 193 38.141 -4.711 -5.445 1.00 1.00 H new ATOM 391 N CYS A 194 42.138 2.062 -7.284 1.00 1.00 N ATOM 392 CA CYS A 194 42.774 2.742 -6.170 1.00 1.00 C ATOM 393 C CYS A 194 42.297 2.168 -4.850 1.00 1.00 C ATOM 394 O CYS A 194 41.096 2.026 -4.639 1.00 1.00 O ATOM 395 CB CYS A 194 42.432 4.231 -6.202 1.00 1.00 C ATOM 396 SG CYS A 194 43.526 5.125 -5.071 1.00 1.00 S ATOM 0 H CYS A 194 41.524 2.649 -7.849 1.00 1.00 H new ATOM 0 HA CYS A 194 43.851 2.601 -6.261 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.543 4.619 -7.215 1.00 1.00 H new ATOM 0 HB3 CYS A 194 41.392 4.382 -5.914 1.00 1.00 H new ATOM 0 HG CYS A 194 43.273 4.765 -3.848 1.00 1.00 H new ATOM 402 N ASP A 195 43.250 1.837 -3.976 1.00 1.00 N ATOM 403 CA ASP A 195 42.934 1.274 -2.654 1.00 1.00 C ATOM 404 C ASP A 195 42.726 -0.234 -2.746 1.00 1.00 C ATOM 405 O ASP A 195 42.880 -0.951 -1.756 1.00 1.00 O ATOM 406 CB ASP A 195 41.672 1.936 -2.069 1.00 1.00 C ATOM 407 CG ASP A 195 41.668 3.428 -2.402 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.728 4.029 -2.332 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.613 3.941 -2.738 1.00 1.00 O ATOM 0 H ASP A 195 44.248 1.948 -4.156 1.00 1.00 H new ATOM 0 HA ASP A 195 43.778 1.475 -1.994 1.00 1.00 H new ATOM 0 HB2 ASP A 195 40.779 1.461 -2.476 1.00 1.00 H new ATOM 0 HB3 ASP A 195 41.644 1.795 -0.989 1.00 1.00 H new ATOM 414 N GLU A 196 42.382 -0.711 -3.937 1.00 1.00 N ATOM 415 CA GLU A 196 42.162 -2.130 -4.135 1.00 1.00 C ATOM 416 C GLU A 196 43.481 -2.882 -4.044 1.00 1.00 C ATOM 417 O GLU A 196 44.553 -2.301 -4.220 1.00 1.00 O ATOM 418 CB GLU A 196 41.485 -2.377 -5.495 1.00 1.00 C ATOM 419 CG GLU A 196 41.410 -3.871 -5.786 1.00 1.00 C ATOM 420 CD GLU A 196 40.670 -4.583 -4.659 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.810 -3.960 -4.056 1.00 1.00 O ATOM 422 OE2 GLU A 196 40.969 -5.741 -4.417 1.00 1.00 O ATOM 0 H GLU A 196 42.251 -0.138 -4.771 1.00 1.00 H new ATOM 0 HA GLU A 196 41.501 -2.500 -3.351 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.482 -1.949 -5.493 1.00 1.00 H new ATOM 0 HB3 GLU A 196 42.044 -1.874 -6.284 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.898 -4.041 -6.733 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.415 -4.281 -5.889 1.00 1.00 H new ATOM 429 N GLU A 197 43.391 -4.187 -3.787 1.00 1.00 N ATOM 430 CA GLU A 197 44.574 -5.035 -3.691 1.00 1.00 C ATOM 431 C GLU A 197 44.432 -6.255 -4.600 1.00 1.00 C ATOM 432 O GLU A 197 43.334 -6.595 -5.042 1.00 1.00 O ATOM 433 CB GLU A 197 44.780 -5.487 -2.248 1.00 1.00 C ATOM 434 CG GLU A 197 43.440 -5.898 -1.659 1.00 1.00 C ATOM 435 CD GLU A 197 43.656 -6.642 -0.345 1.00 1.00 C ATOM 436 OE1 GLU A 197 44.800 -6.933 -0.035 1.00 1.00 O ATOM 437 OE2 GLU A 197 42.677 -6.904 0.333 1.00 1.00 O ATOM 0 H GLU A 197 42.509 -4.678 -3.642 1.00 1.00 H new ATOM 0 HA GLU A 197 45.440 -4.457 -4.012 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.479 -6.323 -2.212 1.00 1.00 H new ATOM 0 HB3 GLU A 197 45.218 -4.680 -1.660 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.821 -5.016 -1.490 1.00 1.00 H new ATOM 0 HG3 GLU A 197 42.903 -6.534 -2.363 1.00 1.00 H new ATOM 444 N TYR A 198 45.556 -6.907 -4.872 1.00 1.00 N ATOM 445 CA TYR A 198 45.574 -8.093 -5.731 1.00 1.00 C ATOM 446 C TYR A 198 46.582 -9.107 -5.205 1.00 1.00 C ATOM 447 O TYR A 198 47.328 -8.830 -4.268 1.00 1.00 O ATOM 448 CB TYR A 198 45.961 -7.701 -7.149 1.00 1.00 C ATOM 449 CG TYR A 198 44.913 -6.778 -7.714 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.909 -5.428 -7.353 1.00 1.00 C ATOM 451 CD2 TYR A 198 43.954 -7.271 -8.601 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.941 -4.565 -7.880 1.00 1.00 C ATOM 453 CE2 TYR A 198 42.982 -6.403 -9.128 1.00 1.00 C ATOM 454 CZ TYR A 198 42.977 -5.054 -8.765 1.00 1.00 C ATOM 455 OH TYR A 198 42.015 -4.210 -9.279 1.00 1.00 O ATOM 0 H TYR A 198 46.471 -6.637 -4.511 1.00 1.00 H new ATOM 0 HA TYR A 198 44.578 -8.536 -5.731 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.934 -7.209 -7.150 1.00 1.00 H new ATOM 0 HB3 TYR A 198 46.053 -8.590 -7.772 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.653 -5.050 -6.667 1.00 1.00 H new ATOM 0 HD2 TYR A 198 43.959 -8.314 -8.881 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.939 -3.521 -7.602 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.238 -6.780 -9.814 1.00 1.00 H new ATOM 0 HH TYR A 198 42.050 -4.232 -10.258 1.00 1.00 H new ATOM 465 N TYR A 199 46.593 -10.284 -5.812 1.00 1.00 N ATOM 466 CA TYR A 199 47.510 -11.352 -5.409 1.00 1.00 C ATOM 467 C TYR A 199 48.740 -11.353 -6.288 1.00 1.00 C ATOM 468 O TYR A 199 48.628 -11.244 -7.500 1.00 1.00 O ATOM 469 CB TYR A 199 46.803 -12.715 -5.529 1.00 1.00 C ATOM 470 CG TYR A 199 46.099 -13.043 -4.239 1.00 1.00 C ATOM 471 CD1 TYR A 199 46.836 -13.544 -3.162 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.725 -12.836 -4.119 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.198 -13.843 -1.958 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.082 -13.129 -2.911 1.00 1.00 C ATOM 475 CZ TYR A 199 44.819 -13.633 -1.829 1.00 1.00 C ATOM 476 OH TYR A 199 44.186 -13.917 -0.637 1.00 1.00 O ATOM 0 H TYR A 199 45.978 -10.529 -6.588 1.00 1.00 H new ATOM 0 HA TYR A 199 47.810 -11.179 -4.376 1.00 1.00 H new ATOM 0 HB2 TYR A 199 46.085 -12.691 -6.349 1.00 1.00 H new ATOM 0 HB3 TYR A 199 47.530 -13.492 -5.764 1.00 1.00 H new ATOM 0 HD1 TYR A 199 47.900 -13.700 -3.262 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.160 -12.451 -4.955 1.00 1.00 H new ATOM 0 HE1 TYR A 199 46.766 -14.235 -1.127 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.019 -12.967 -2.812 1.00 1.00 H new ATOM 0 HH TYR A 199 43.231 -13.713 -0.717 1.00 1.00 H new ATOM 486 N LEU A 200 49.915 -11.472 -5.667 1.00 1.00 N ATOM 487 CA LEU A 200 51.163 -11.484 -6.423 1.00 1.00 C ATOM 488 C LEU A 200 51.463 -12.888 -6.924 1.00 1.00 C ATOM 489 O LEU A 200 51.527 -13.838 -6.145 1.00 1.00 O ATOM 490 CB LEU A 200 52.329 -11.009 -5.536 1.00 1.00 C ATOM 491 CG LEU A 200 53.333 -10.189 -6.355 1.00 1.00 C ATOM 492 CD1 LEU A 200 52.681 -8.883 -6.840 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.538 -9.862 -5.467 1.00 1.00 C ATOM 0 H LEU A 200 50.026 -11.560 -4.657 1.00 1.00 H new ATOM 0 HA LEU A 200 51.053 -10.810 -7.272 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.945 -10.406 -4.713 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.830 -11.870 -5.093 1.00 1.00 H new ATOM 0 HG LEU A 200 53.651 -10.764 -7.225 1.00 1.00 H new ATOM 0 HD11 LEU A 200 53.404 -8.309 -7.420 1.00 1.00 H new ATOM 0 HD12 LEU A 200 51.818 -9.117 -7.464 1.00 1.00 H new ATOM 0 HD13 LEU A 200 52.358 -8.296 -5.980 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.262 -9.278 -6.036 1.00 1.00 H new ATOM 0 HD22 LEU A 200 54.207 -9.287 -4.602 1.00 1.00 H new ATOM 0 HD23 LEU A 200 55.004 -10.788 -5.130 1.00 1.00 H new ATOM 505 N LEU A 201 51.648 -13.006 -8.226 1.00 1.00 N ATOM 506 CA LEU A 201 51.946 -14.297 -8.846 1.00 1.00 C ATOM 507 C LEU A 201 53.400 -14.364 -9.277 1.00 1.00 C ATOM 508 O LEU A 201 54.163 -15.190 -8.780 1.00 1.00 O ATOM 509 CB LEU A 201 51.035 -14.532 -10.064 1.00 1.00 C ATOM 510 CG LEU A 201 49.626 -14.968 -9.599 1.00 1.00 C ATOM 511 CD1 LEU A 201 48.773 -13.743 -9.273 1.00 1.00 C ATOM 512 CD2 LEU A 201 48.953 -15.777 -10.705 1.00 1.00 C ATOM 0 H LEU A 201 51.598 -12.226 -8.881 1.00 1.00 H new ATOM 0 HA LEU A 201 51.762 -15.076 -8.106 1.00 1.00 H new ATOM 0 HB2 LEU A 201 50.965 -13.620 -10.656 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.467 -15.298 -10.708 1.00 1.00 H new ATOM 0 HG LEU A 201 49.723 -15.580 -8.702 1.00 1.00 H new ATOM 0 HD11 LEU A 201 47.784 -14.065 -8.947 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.249 -13.170 -8.477 1.00 1.00 H new ATOM 0 HD13 LEU A 201 48.677 -13.119 -10.162 1.00 1.00 H new ATOM 0 HD21 LEU A 201 47.960 -16.085 -10.378 1.00 1.00 H new ATOM 0 HD22 LEU A 201 48.866 -15.164 -11.602 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.552 -16.660 -10.926 1.00 1.00 H new ATOM 524 N ASP A 202 53.780 -13.499 -10.210 1.00 1.00 N ATOM 525 CA ASP A 202 55.150 -13.479 -10.711 1.00 1.00 C ATOM 526 C ASP A 202 55.904 -12.296 -10.127 1.00 1.00 C ATOM 527 O ASP A 202 55.967 -11.227 -10.732 1.00 1.00 O ATOM 528 CB ASP A 202 55.142 -13.379 -12.240 1.00 1.00 C ATOM 529 CG ASP A 202 56.510 -13.760 -12.793 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.467 -13.695 -12.040 1.00 1.00 O ATOM 531 OD2 ASP A 202 56.581 -14.115 -13.958 1.00 1.00 O ATOM 0 H ASP A 202 53.163 -12.806 -10.633 1.00 1.00 H new ATOM 0 HA ASP A 202 55.648 -14.401 -10.411 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.377 -14.038 -12.652 1.00 1.00 H new ATOM 0 HB3 ASP A 202 54.887 -12.364 -12.545 1.00 1.00 H new ATOM 536 N SER A 203 56.476 -12.493 -8.945 1.00 1.00 N ATOM 537 CA SER A 203 57.232 -11.436 -8.281 1.00 1.00 C ATOM 538 C SER A 203 58.703 -11.527 -8.656 1.00 1.00 C ATOM 539 O SER A 203 59.128 -12.496 -9.284 1.00 1.00 O ATOM 540 CB SER A 203 57.080 -11.570 -6.774 1.00 1.00 C ATOM 541 OG SER A 203 58.041 -12.493 -6.275 1.00 1.00 O ATOM 0 H SER A 203 56.432 -13.371 -8.428 1.00 1.00 H new ATOM 0 HA SER A 203 56.845 -10.469 -8.602 1.00 1.00 H new ATOM 0 HB2 SER A 203 57.213 -10.599 -6.298 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.074 -11.910 -6.529 1.00 1.00 H new ATOM 0 HG SER A 203 57.941 -12.576 -5.304 1.00 1.00 H new ATOM 609 N TRP A 208 57.654 -7.160 -15.524 1.00 1.00 N ATOM 610 CA TRP A 208 56.204 -7.090 -15.357 1.00 1.00 C ATOM 611 C TRP A 208 55.725 -8.022 -14.249 1.00 1.00 C ATOM 612 O TRP A 208 56.041 -9.211 -14.243 1.00 1.00 O ATOM 613 CB TRP A 208 55.515 -7.481 -16.664 1.00 1.00 C ATOM 614 CG TRP A 208 55.668 -6.386 -17.666 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.458 -6.441 -18.759 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.026 -5.080 -17.684 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.349 -5.248 -19.446 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.474 -4.374 -18.824 1.00 1.00 C ATOM 619 CE3 TRP A 208 54.108 -4.447 -16.827 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.025 -3.079 -19.104 1.00 1.00 C ATOM 621 CZ3 TRP A 208 53.656 -3.149 -17.104 1.00 1.00 C ATOM 622 CH2 TRP A 208 54.110 -2.466 -18.238 1.00 1.00 C ATOM 0 HA TRP A 208 55.949 -6.066 -15.085 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.948 -8.403 -17.051 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.458 -7.676 -16.484 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.074 -7.280 -19.049 1.00 1.00 H new ATOM 0 HE1 TRP A 208 56.852 -5.036 -20.308 1.00 1.00 H new ATOM 0 HE3 TRP A 208 53.749 -4.964 -15.950 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 55.380 -2.556 -19.980 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 52.952 -2.673 -16.437 1.00 1.00 H new ATOM 0 HH2 TRP A 208 53.755 -1.467 -18.445 1.00 1.00 H new ATOM 633 N TRP A 209 54.960 -7.471 -13.316 1.00 1.00 N ATOM 634 CA TRP A 209 54.436 -8.258 -12.197 1.00 1.00 C ATOM 635 C TRP A 209 53.089 -8.849 -12.549 1.00 1.00 C ATOM 636 O TRP A 209 52.158 -8.150 -12.952 1.00 1.00 O ATOM 637 CB TRP A 209 54.319 -7.359 -10.942 1.00 1.00 C ATOM 638 CG TRP A 209 55.558 -7.437 -10.089 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.751 -7.973 -10.451 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.738 -6.954 -8.730 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.620 -7.891 -9.390 1.00 1.00 N ATOM 642 CE2 TRP A 209 57.054 -7.257 -8.316 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.894 -6.302 -7.822 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.522 -6.918 -7.056 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.359 -5.953 -6.546 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.675 -6.264 -6.163 1.00 1.00 C ATOM 0 H TRP A 209 54.687 -6.488 -13.307 1.00 1.00 H new ATOM 0 HA TRP A 209 55.122 -9.078 -11.987 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.151 -6.326 -11.247 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.452 -7.663 -10.355 1.00 1.00 H new ATOM 0 HD1 TRP A 209 56.980 -8.396 -11.418 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.572 -8.258 -9.401 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.879 -6.067 -8.106 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.535 -7.159 -6.769 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.704 -5.443 -5.855 1.00 1.00 H new ATOM 0 HH2 TRP A 209 57.029 -5.997 -5.178 1.00 1.00 H new ATOM 657 N ARG A 210 53.006 -10.164 -12.386 1.00 1.00 N ATOM 658 CA ARG A 210 51.783 -10.879 -12.680 1.00 1.00 C ATOM 659 C ARG A 210 50.894 -10.894 -11.460 1.00 1.00 C ATOM 660 O ARG A 210 51.313 -11.328 -10.385 1.00 1.00 O ATOM 661 CB ARG A 210 52.094 -12.321 -13.077 1.00 1.00 C ATOM 662 CG ARG A 210 50.852 -12.952 -13.705 1.00 1.00 C ATOM 663 CD ARG A 210 51.188 -14.355 -14.206 1.00 1.00 C ATOM 664 NE ARG A 210 50.062 -14.904 -14.956 1.00 1.00 N ATOM 665 CZ ARG A 210 49.989 -16.200 -15.241 1.00 1.00 C ATOM 666 NH1 ARG A 210 50.936 -17.008 -14.852 1.00 1.00 N ATOM 667 NH2 ARG A 210 48.969 -16.665 -15.912 1.00 1.00 N ATOM 0 H ARG A 210 53.772 -10.750 -12.053 1.00 1.00 H new ATOM 0 HA ARG A 210 51.278 -10.375 -13.504 1.00 1.00 H new ATOM 0 HB2 ARG A 210 52.924 -12.345 -13.783 1.00 1.00 H new ATOM 0 HB3 ARG A 210 52.403 -12.892 -12.202 1.00 1.00 H new ATOM 0 HG2 ARG A 210 50.046 -13.000 -12.973 1.00 1.00 H new ATOM 0 HG3 ARG A 210 50.496 -12.336 -14.531 1.00 1.00 H new ATOM 0 HD2 ARG A 210 52.074 -14.321 -14.839 1.00 1.00 H new ATOM 0 HD3 ARG A 210 51.424 -15.004 -13.362 1.00 1.00 H new ATOM 0 HE ARG A 210 49.317 -14.281 -15.267 1.00 1.00 H new ATOM 0 HH11 ARG A 210 51.733 -16.645 -14.329 1.00 1.00 H new ATOM 0 HH12 ARG A 210 50.880 -18.003 -15.071 1.00 1.00 H new ATOM 0 HH21 ARG A 210 48.229 -16.033 -16.217 1.00 1.00 H new ATOM 0 HH22 ARG A 210 48.913 -17.660 -16.131 1.00 1.00 H new ATOM 681 N VAL A 211 49.667 -10.408 -11.612 1.00 1.00 N ATOM 682 CA VAL A 211 48.729 -10.372 -10.502 1.00 1.00 C ATOM 683 C VAL A 211 47.390 -10.964 -10.926 1.00 1.00 C ATOM 684 O VAL A 211 47.102 -11.066 -12.119 1.00 1.00 O ATOM 685 CB VAL A 211 48.521 -8.932 -10.050 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.790 -8.419 -9.372 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.198 -8.049 -11.262 1.00 1.00 C ATOM 0 H VAL A 211 49.302 -10.036 -12.489 1.00 1.00 H new ATOM 0 HA VAL A 211 49.137 -10.959 -9.679 1.00 1.00 H new ATOM 0 HB VAL A 211 47.691 -8.895 -9.345 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.639 -7.389 -9.049 1.00 1.00 H new ATOM 0 HG12 VAL A 211 50.017 -9.041 -8.506 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.621 -8.461 -10.076 1.00 1.00 H new ATOM 0 HG21 VAL A 211 48.050 -7.020 -10.934 1.00 1.00 H new ATOM 0 HG22 VAL A 211 49.025 -8.088 -11.971 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.289 -8.410 -11.744 1.00 1.00 H new ATOM 697 N GLN A 212 46.569 -11.354 -9.949 1.00 1.00 N ATOM 698 CA GLN A 212 45.256 -11.932 -10.239 1.00 1.00 C ATOM 699 C GLN A 212 44.212 -11.367 -9.289 1.00 1.00 C ATOM 700 O GLN A 212 44.430 -11.301 -8.078 1.00 1.00 O ATOM 701 CB GLN A 212 45.319 -13.455 -10.097 1.00 1.00 C ATOM 702 CG GLN A 212 43.919 -14.047 -10.243 1.00 1.00 C ATOM 703 CD GLN A 212 44.007 -15.558 -10.420 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.052 -16.078 -10.812 1.00 1.00 O ATOM 705 NE2 GLN A 212 42.970 -16.298 -10.147 1.00 1.00 N ATOM 0 H GLN A 212 46.789 -11.281 -8.956 1.00 1.00 H new ATOM 0 HA GLN A 212 44.975 -11.677 -11.261 1.00 1.00 H new ATOM 0 HB2 GLN A 212 45.981 -13.873 -10.855 1.00 1.00 H new ATOM 0 HB3 GLN A 212 45.737 -13.722 -9.126 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.322 -13.810 -9.363 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.414 -13.601 -11.100 1.00 1.00 H new ATOM 0 HE21 GLN A 212 42.106 -15.865 -9.822 1.00 1.00 H new ATOM 0 HE22 GLN A 212 43.023 -17.311 -10.258 1.00 1.00 H new ATOM 714 N ASP A 213 43.067 -10.971 -9.842 1.00 1.00 N ATOM 715 CA ASP A 213 41.984 -10.421 -9.035 1.00 1.00 C ATOM 716 C ASP A 213 41.065 -11.539 -8.555 1.00 1.00 C ATOM 717 O ASP A 213 41.122 -12.664 -9.052 1.00 1.00 O ATOM 718 CB ASP A 213 41.170 -9.423 -9.866 1.00 1.00 C ATOM 719 CG ASP A 213 40.427 -8.453 -8.951 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.430 -8.684 -7.752 1.00 1.00 O ATOM 721 OD2 ASP A 213 39.868 -7.495 -9.459 1.00 1.00 O ATOM 0 H ASP A 213 42.867 -11.021 -10.841 1.00 1.00 H new ATOM 0 HA ASP A 213 42.416 -9.914 -8.172 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.831 -8.870 -10.533 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.458 -9.958 -10.495 1.00 1.00 H new ATOM 726 N LYS A 214 40.217 -11.212 -7.596 1.00 1.00 N ATOM 727 CA LYS A 214 39.274 -12.181 -7.050 1.00 1.00 C ATOM 728 C LYS A 214 38.271 -12.617 -8.111 1.00 1.00 C ATOM 729 O LYS A 214 37.910 -13.792 -8.194 1.00 1.00 O ATOM 730 CB LYS A 214 38.527 -11.586 -5.856 1.00 1.00 C ATOM 731 CG LYS A 214 39.489 -11.415 -4.670 1.00 1.00 C ATOM 732 CD LYS A 214 40.467 -10.258 -4.942 1.00 1.00 C ATOM 733 CE LYS A 214 41.075 -9.776 -3.629 1.00 1.00 C ATOM 734 NZ LYS A 214 41.889 -10.870 -3.033 1.00 1.00 N ATOM 0 H LYS A 214 40.159 -10.284 -7.177 1.00 1.00 H new ATOM 0 HA LYS A 214 39.841 -13.052 -6.721 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.097 -10.622 -6.129 1.00 1.00 H new ATOM 0 HB3 LYS A 214 37.699 -12.236 -5.573 1.00 1.00 H new ATOM 0 HG2 LYS A 214 38.924 -11.217 -3.759 1.00 1.00 H new ATOM 0 HG3 LYS A 214 40.044 -12.339 -4.506 1.00 1.00 H new ATOM 0 HD2 LYS A 214 41.255 -10.587 -5.619 1.00 1.00 H new ATOM 0 HD3 LYS A 214 39.946 -9.437 -5.435 1.00 1.00 H new ATOM 0 HE2 LYS A 214 41.697 -8.898 -3.804 1.00 1.00 H new ATOM 0 HE3 LYS A 214 40.287 -9.476 -2.938 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 42.464 -10.490 -2.254 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 41.259 -11.612 -2.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 42.514 -11.273 -3.760 1.00 1.00 H new ATOM 748 N ASN A 215 37.814 -11.658 -8.909 1.00 1.00 N ATOM 749 CA ASN A 215 36.839 -11.945 -9.953 1.00 1.00 C ATOM 750 C ASN A 215 37.381 -12.994 -10.917 1.00 1.00 C ATOM 751 O ASN A 215 36.674 -13.443 -11.819 1.00 1.00 O ATOM 752 CB ASN A 215 36.502 -10.667 -10.722 1.00 1.00 C ATOM 753 CG ASN A 215 35.724 -9.711 -9.824 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.171 -10.126 -8.805 1.00 1.00 O ATOM 755 ND2 ASN A 215 35.649 -8.448 -10.143 1.00 1.00 N ATOM 0 H ASN A 215 38.101 -10.681 -8.853 1.00 1.00 H new ATOM 0 HA ASN A 215 35.935 -12.332 -9.482 1.00 1.00 H new ATOM 0 HB2 ASN A 215 37.418 -10.189 -11.070 1.00 1.00 H new ATOM 0 HB3 ASN A 215 35.913 -10.909 -11.607 1.00 1.00 H new ATOM 0 HD21 ASN A 215 35.131 -7.802 -9.548 1.00 1.00 H new ATOM 0 HD22 ASN A 215 36.108 -8.107 -10.988 1.00 1.00 H new ATOM 762 N GLY A 216 38.640 -13.379 -10.723 1.00 1.00 N ATOM 763 CA GLY A 216 39.269 -14.375 -11.583 1.00 1.00 C ATOM 764 C GLY A 216 39.932 -13.720 -12.786 1.00 1.00 C ATOM 765 O GLY A 216 40.086 -14.343 -13.835 1.00 1.00 O ATOM 0 H GLY A 216 39.241 -13.018 -9.982 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.012 -14.934 -11.014 1.00 1.00 H new ATOM 0 HA3 GLY A 216 38.521 -15.092 -11.922 1.00 1.00 H new ATOM 769 N HIS A 217 40.321 -12.455 -12.633 1.00 1.00 N ATOM 770 CA HIS A 217 40.969 -11.722 -13.719 1.00 1.00 C ATOM 771 C HIS A 217 42.477 -11.713 -13.515 1.00 1.00 C ATOM 772 O HIS A 217 42.958 -11.547 -12.397 1.00 1.00 O ATOM 773 CB HIS A 217 40.453 -10.282 -13.758 1.00 1.00 C ATOM 774 CG HIS A 217 38.989 -10.285 -14.085 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.226 -9.128 -14.062 1.00 1.00 N ATOM 776 CD2 HIS A 217 38.131 -11.295 -14.439 1.00 1.00 C ATOM 777 CE1 HIS A 217 36.968 -9.467 -14.395 1.00 1.00 C ATOM 778 NE2 HIS A 217 36.855 -10.776 -14.636 1.00 1.00 N ATOM 0 H HIS A 217 40.200 -11.919 -11.773 1.00 1.00 H new ATOM 0 HA HIS A 217 40.736 -12.216 -14.662 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.621 -9.798 -12.796 1.00 1.00 H new ATOM 0 HB3 HIS A 217 41.002 -9.708 -14.504 1.00 1.00 H new ATOM 0 HD2 HIS A 217 38.404 -12.334 -14.548 1.00 1.00 H new ATOM 0 HE1 HIS A 217 36.149 -8.766 -14.460 1.00 1.00 H new ATOM 0 HE2 HIS A 217 36.014 -11.286 -14.906 1.00 1.00 H new ATOM 786 N GLU A 218 43.215 -11.912 -14.603 1.00 1.00 N ATOM 787 CA GLU A 218 44.680 -11.942 -14.548 1.00 1.00 C ATOM 788 C GLU A 218 45.279 -11.001 -15.584 1.00 1.00 C ATOM 789 O GLU A 218 44.727 -10.825 -16.669 1.00 1.00 O ATOM 790 CB GLU A 218 45.172 -13.370 -14.793 1.00 1.00 C ATOM 791 CG GLU A 218 44.418 -13.977 -15.978 1.00 1.00 C ATOM 792 CD GLU A 218 44.958 -15.370 -16.284 1.00 1.00 C ATOM 793 OE1 GLU A 218 45.962 -15.737 -15.693 1.00 1.00 O ATOM 794 OE2 GLU A 218 44.358 -16.052 -17.098 1.00 1.00 O ATOM 0 H GLU A 218 42.826 -12.055 -15.535 1.00 1.00 H new ATOM 0 HA GLU A 218 45.000 -11.610 -13.560 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.243 -13.367 -14.994 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.017 -13.977 -13.901 1.00 1.00 H new ATOM 0 HG2 GLU A 218 43.353 -14.033 -15.752 1.00 1.00 H new ATOM 0 HG3 GLU A 218 44.525 -13.337 -16.854 1.00 1.00 H new ATOM 801 N GLY A 219 46.427 -10.411 -15.251 1.00 1.00 N ATOM 802 CA GLY A 219 47.101 -9.506 -16.169 1.00 1.00 C ATOM 803 C GLY A 219 48.285 -8.832 -15.480 1.00 1.00 C ATOM 804 O GLY A 219 48.382 -8.833 -14.248 1.00 1.00 O ATOM 0 H GLY A 219 46.903 -10.545 -14.359 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.447 -10.057 -17.044 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.401 -8.750 -16.524 1.00 1.00 H new ATOM 808 N TYR A 220 49.187 -8.267 -16.276 1.00 1.00 N ATOM 809 CA TYR A 220 50.361 -7.604 -15.733 1.00 1.00 C ATOM 810 C TYR A 220 49.964 -6.293 -15.089 1.00 1.00 C ATOM 811 O TYR A 220 49.053 -5.612 -15.562 1.00 1.00 O ATOM 812 CB TYR A 220 51.373 -7.338 -16.849 1.00 1.00 C ATOM 813 CG TYR A 220 51.863 -8.655 -17.405 1.00 1.00 C ATOM 814 CD1 TYR A 220 52.635 -9.505 -16.603 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.543 -9.030 -18.716 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.088 -10.727 -17.113 1.00 1.00 C ATOM 817 CE2 TYR A 220 51.996 -10.253 -19.225 1.00 1.00 C ATOM 818 CZ TYR A 220 52.770 -11.100 -18.423 1.00 1.00 C ATOM 819 OH TYR A 220 53.217 -12.305 -18.926 1.00 1.00 O ATOM 0 H TYR A 220 49.126 -8.256 -17.294 1.00 1.00 H new ATOM 0 HA TYR A 220 50.814 -8.251 -14.982 1.00 1.00 H new ATOM 0 HB2 TYR A 220 50.912 -6.746 -17.639 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.212 -6.758 -16.464 1.00 1.00 H new ATOM 0 HD1 TYR A 220 52.881 -9.218 -15.591 1.00 1.00 H new ATOM 0 HD2 TYR A 220 50.947 -8.376 -19.334 1.00 1.00 H new ATOM 0 HE1 TYR A 220 53.683 -11.382 -16.495 1.00 1.00 H new ATOM 0 HE2 TYR A 220 51.749 -10.543 -20.236 1.00 1.00 H new ATOM 0 HH TYR A 220 52.906 -12.409 -19.850 1.00 1.00 H new ATOM 829 N ALA A 221 50.645 -5.939 -14.000 1.00 1.00 N ATOM 830 CA ALA A 221 50.345 -4.697 -13.296 1.00 1.00 C ATOM 831 C ALA A 221 51.638 -3.950 -12.930 1.00 1.00 C ATOM 832 O ALA A 221 52.477 -4.484 -12.203 1.00 1.00 O ATOM 833 CB ALA A 221 49.559 -4.993 -12.029 1.00 1.00 C ATOM 0 H ALA A 221 51.400 -6.489 -13.591 1.00 1.00 H new ATOM 0 HA ALA A 221 49.750 -4.068 -13.958 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.340 -4.060 -11.510 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.625 -5.492 -12.288 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.148 -5.640 -11.378 1.00 1.00 H new ATOM 839 N PRO A 222 51.821 -2.733 -13.403 1.00 1.00 N ATOM 840 CA PRO A 222 53.041 -1.934 -13.094 1.00 1.00 C ATOM 841 C PRO A 222 53.391 -1.981 -11.605 1.00 1.00 C ATOM 842 O PRO A 222 52.643 -1.477 -10.775 1.00 1.00 O ATOM 843 CB PRO A 222 52.646 -0.509 -13.518 1.00 1.00 C ATOM 844 CG PRO A 222 51.605 -0.675 -14.576 1.00 1.00 C ATOM 845 CD PRO A 222 50.894 -1.992 -14.281 1.00 1.00 C ATOM 0 HA PRO A 222 53.926 -2.310 -13.607 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.257 0.057 -12.672 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.508 0.039 -13.899 1.00 1.00 H new ATOM 0 HG2 PRO A 222 50.901 0.157 -14.562 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.058 -0.692 -15.567 1.00 1.00 H new ATOM 0 HD2 PRO A 222 49.935 -1.823 -13.791 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.690 -2.545 -15.198 1.00 1.00 H new ATOM 853 N SER A 223 54.532 -2.583 -11.289 1.00 1.00 N ATOM 854 CA SER A 223 54.983 -2.693 -9.900 1.00 1.00 C ATOM 855 C SER A 223 55.302 -1.317 -9.318 1.00 1.00 C ATOM 856 O SER A 223 55.428 -1.153 -8.106 1.00 1.00 O ATOM 857 CB SER A 223 56.231 -3.570 -9.828 1.00 1.00 C ATOM 858 OG SER A 223 57.265 -2.979 -10.604 1.00 1.00 O ATOM 0 H SER A 223 55.163 -3.003 -11.972 1.00 1.00 H new ATOM 0 HA SER A 223 54.179 -3.143 -9.317 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.554 -3.679 -8.793 1.00 1.00 H new ATOM 0 HB3 SER A 223 56.009 -4.570 -10.199 1.00 1.00 H new ATOM 0 HG SER A 223 58.068 -3.538 -10.559 1.00 1.00 H new ATOM 864 N SER A 224 55.422 -0.336 -10.198 1.00 1.00 N ATOM 865 CA SER A 224 55.718 1.033 -9.772 1.00 1.00 C ATOM 866 C SER A 224 54.475 1.734 -9.225 1.00 1.00 C ATOM 867 O SER A 224 54.532 2.409 -8.198 1.00 1.00 O ATOM 868 CB SER A 224 56.284 1.836 -10.941 1.00 1.00 C ATOM 869 OG SER A 224 55.533 1.551 -12.110 1.00 1.00 O ATOM 0 H SER A 224 55.321 -0.455 -11.206 1.00 1.00 H new ATOM 0 HA SER A 224 56.456 0.976 -8.972 1.00 1.00 H new ATOM 0 HB2 SER A 224 56.243 2.902 -10.719 1.00 1.00 H new ATOM 0 HB3 SER A 224 57.333 1.583 -11.097 1.00 1.00 H new ATOM 0 HG SER A 224 55.000 2.336 -12.356 1.00 1.00 H new ATOM 875 N TYR A 225 53.357 1.586 -9.928 1.00 1.00 N ATOM 876 CA TYR A 225 52.118 2.238 -9.515 1.00 1.00 C ATOM 877 C TYR A 225 51.456 1.468 -8.386 1.00 1.00 C ATOM 878 O TYR A 225 50.265 1.629 -8.123 1.00 1.00 O ATOM 879 CB TYR A 225 51.158 2.323 -10.703 1.00 1.00 C ATOM 880 CG TYR A 225 51.683 3.326 -11.706 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.799 3.012 -12.487 1.00 1.00 C ATOM 882 CD2 TYR A 225 51.052 4.566 -11.856 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.288 3.937 -13.419 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.539 5.493 -12.787 1.00 1.00 C ATOM 885 CZ TYR A 225 52.658 5.179 -13.568 1.00 1.00 C ATOM 886 OH TYR A 225 53.138 6.094 -14.485 1.00 1.00 O ATOM 0 H TYR A 225 53.282 1.027 -10.778 1.00 1.00 H new ATOM 0 HA TYR A 225 52.358 3.241 -9.162 1.00 1.00 H new ATOM 0 HB2 TYR A 225 51.055 1.344 -11.172 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.166 2.619 -10.362 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.285 2.055 -12.372 1.00 1.00 H new ATOM 0 HD2 TYR A 225 50.189 4.809 -11.254 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.150 3.692 -14.022 1.00 1.00 H new ATOM 0 HE2 TYR A 225 51.051 6.450 -12.902 1.00 1.00 H new ATOM 0 HH TYR A 225 52.584 6.902 -14.461 1.00 1.00 H new ATOM 896 N LEU A 226 52.241 0.639 -7.709 1.00 1.00 N ATOM 897 CA LEU A 226 51.731 -0.141 -6.591 1.00 1.00 C ATOM 898 C LEU A 226 52.851 -0.484 -5.622 1.00 1.00 C ATOM 899 O LEU A 226 54.027 -0.270 -5.917 1.00 1.00 O ATOM 900 CB LEU A 226 51.069 -1.416 -7.102 1.00 1.00 C ATOM 901 CG LEU A 226 52.099 -2.256 -7.879 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.049 -3.021 -6.925 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.352 -3.238 -8.792 1.00 1.00 C ATOM 0 H LEU A 226 53.229 0.491 -7.914 1.00 1.00 H new ATOM 0 HA LEU A 226 50.989 0.457 -6.062 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.671 -1.992 -6.266 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.226 -1.167 -7.747 1.00 1.00 H new ATOM 0 HG LEU A 226 52.716 -1.586 -8.478 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.762 -3.602 -7.510 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.588 -2.309 -6.300 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.467 -3.691 -6.292 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.073 -3.838 -9.347 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.725 -3.892 -8.187 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.728 -2.682 -9.491 1.00 1.00 H new ATOM 915 N VAL A 227 52.486 -1.034 -4.470 1.00 1.00 N ATOM 916 CA VAL A 227 53.479 -1.425 -3.463 1.00 1.00 C ATOM 917 C VAL A 227 53.071 -2.723 -2.781 1.00 1.00 C ATOM 918 O VAL A 227 51.894 -3.067 -2.746 1.00 1.00 O ATOM 919 CB VAL A 227 53.629 -0.325 -2.416 1.00 1.00 C ATOM 920 CG1 VAL A 227 54.339 0.874 -3.045 1.00 1.00 C ATOM 921 CG2 VAL A 227 52.244 0.099 -1.928 1.00 1.00 C ATOM 0 H VAL A 227 51.519 -1.220 -4.206 1.00 1.00 H new ATOM 0 HA VAL A 227 54.433 -1.577 -3.968 1.00 1.00 H new ATOM 0 HB VAL A 227 54.214 -0.694 -1.573 1.00 1.00 H new ATOM 0 HG11 VAL A 227 54.449 1.663 -2.301 1.00 1.00 H new ATOM 0 HG12 VAL A 227 55.324 0.569 -3.399 1.00 1.00 H new ATOM 0 HG13 VAL A 227 53.751 1.246 -3.884 1.00 1.00 H new ATOM 0 HG21 VAL A 227 52.347 0.885 -1.180 1.00 1.00 H new ATOM 0 HG22 VAL A 227 51.661 0.473 -2.769 1.00 1.00 H new ATOM 0 HG23 VAL A 227 51.736 -0.758 -1.486 1.00 1.00 H new ATOM 931 N GLU A 228 54.053 -3.435 -2.234 1.00 1.00 N ATOM 932 CA GLU A 228 53.784 -4.699 -1.545 1.00 1.00 C ATOM 933 C GLU A 228 53.356 -4.458 -0.105 1.00 1.00 C ATOM 934 O GLU A 228 53.994 -3.703 0.629 1.00 1.00 O ATOM 935 CB GLU A 228 55.030 -5.594 -1.561 1.00 1.00 C ATOM 936 CG GLU A 228 55.196 -6.220 -2.941 1.00 1.00 C ATOM 937 CD GLU A 228 56.381 -7.183 -2.940 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.105 -7.199 -1.957 1.00 1.00 O ATOM 939 OE2 GLU A 228 56.553 -7.884 -3.923 1.00 1.00 O ATOM 0 H GLU A 228 55.036 -3.163 -2.253 1.00 1.00 H new ATOM 0 HA GLU A 228 52.972 -5.197 -2.074 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.914 -5.008 -1.308 1.00 1.00 H new ATOM 0 HB3 GLU A 228 54.939 -6.375 -0.806 1.00 1.00 H new ATOM 0 HG2 GLU A 228 54.286 -6.751 -3.220 1.00 1.00 H new ATOM 0 HG3 GLU A 228 55.351 -5.440 -3.687 1.00 1.00 H new ATOM 946 N LYS A 229 52.274 -5.118 0.292 1.00 1.00 N ATOM 947 CA LYS A 229 51.769 -4.983 1.656 1.00 1.00 C ATOM 948 C LYS A 229 52.720 -5.651 2.644 1.00 1.00 C ATOM 949 O LYS A 229 53.036 -5.092 3.694 1.00 1.00 O ATOM 950 CB LYS A 229 50.374 -5.607 1.776 1.00 1.00 C ATOM 951 CG LYS A 229 49.819 -5.343 3.174 1.00 1.00 C ATOM 952 CD LYS A 229 48.375 -5.834 3.237 1.00 1.00 C ATOM 953 CE LYS A 229 47.806 -5.569 4.634 1.00 1.00 C ATOM 954 NZ LYS A 229 46.388 -6.026 4.692 1.00 1.00 N ATOM 0 H LYS A 229 51.733 -5.746 -0.303 1.00 1.00 H new ATOM 0 HA LYS A 229 51.702 -3.921 1.891 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.709 -5.185 1.023 1.00 1.00 H new ATOM 0 HB3 LYS A 229 50.426 -6.680 1.590 1.00 1.00 H new ATOM 0 HG2 LYS A 229 50.424 -5.856 3.922 1.00 1.00 H new ATOM 0 HG3 LYS A 229 49.865 -4.278 3.402 1.00 1.00 H new ATOM 0 HD2 LYS A 229 47.773 -5.324 2.485 1.00 1.00 H new ATOM 0 HD3 LYS A 229 48.332 -6.899 3.011 1.00 1.00 H new ATOM 0 HE2 LYS A 229 48.398 -6.093 5.384 1.00 1.00 H new ATOM 0 HE3 LYS A 229 47.866 -4.506 4.866 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 46.004 -5.845 5.641 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 45.827 -5.507 3.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 46.343 -7.045 4.489 1.00 1.00 H new