USER MOD reduce.3.24.130724 H: found=0, std=0, add=355, rem=0, adj=13 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 -121:sc= 0.299 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 26:sc= 0.907 USER MOD Single : A 198 TYR OH : rot 116:sc= 0.301 USER MOD Single : A 199 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 SER OG : rot 59:sc= 1.11 USER MOD Single : A 212 GLN : amide:sc= -0.0395 K(o=-0.04,f=-2.8!) USER MOD Single : A 214 LYS NZ :NH3+ -149:sc= -0.249 (180deg=-1.39!) USER MOD Single : A 215 ASN : amide:sc= -0.07 K(o=-0.07,f=-1.9!) USER MOD Single : A 217 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.0039) USER MOD Single : A 220 TYR OH : rot 180:sc= 0.582 USER MOD Single : A 223 SER OG : rot 180:sc= 0 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+ -172:sc= -0.929 (180deg=-1.32) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.360 -12.702 -1.895 1.00 1.00 N ATOM 66 CA THR A 174 51.706 -11.651 -1.115 1.00 1.00 C ATOM 67 C THR A 174 50.696 -10.908 -1.965 1.00 1.00 C ATOM 68 O THR A 174 50.336 -11.353 -3.048 1.00 1.00 O ATOM 69 CB THR A 174 52.763 -10.674 -0.596 1.00 1.00 C ATOM 70 OG1 THR A 174 52.192 -9.855 0.410 1.00 1.00 O ATOM 71 CG2 THR A 174 53.295 -9.795 -1.735 1.00 1.00 C ATOM 0 HA THR A 174 51.182 -12.108 -0.275 1.00 1.00 H new ATOM 0 HB THR A 174 53.594 -11.244 -0.182 1.00 1.00 H new ATOM 0 HG1 THR A 174 52.262 -8.914 0.144 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.045 -9.108 -1.344 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.745 -10.426 -2.502 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.473 -9.226 -2.170 1.00 1.00 H new ATOM 79 N LEU A 175 50.237 -9.769 -1.463 1.00 1.00 N ATOM 80 CA LEU A 175 49.272 -8.952 -2.189 1.00 1.00 C ATOM 81 C LEU A 175 49.837 -7.554 -2.375 1.00 1.00 C ATOM 82 O LEU A 175 50.742 -7.140 -1.651 1.00 1.00 O ATOM 83 CB LEU A 175 47.939 -8.881 -1.443 1.00 1.00 C ATOM 84 CG LEU A 175 47.445 -10.310 -1.097 1.00 1.00 C ATOM 85 CD1 LEU A 175 47.910 -10.704 0.318 1.00 1.00 C ATOM 86 CD2 LEU A 175 45.909 -10.357 -1.173 1.00 1.00 C ATOM 0 H LEU A 175 50.516 -9.390 -0.558 1.00 1.00 H new ATOM 0 HA LEU A 175 49.089 -9.410 -3.161 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.055 -8.297 -0.530 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.197 -8.370 -2.056 1.00 1.00 H new ATOM 0 HG LEU A 175 47.865 -11.015 -1.814 1.00 1.00 H new ATOM 0 HD11 LEU A 175 47.557 -11.709 0.550 1.00 1.00 H new ATOM 0 HD12 LEU A 175 48.999 -10.682 0.362 1.00 1.00 H new ATOM 0 HD13 LEU A 175 47.503 -10.000 1.044 1.00 1.00 H new ATOM 0 HD21 LEU A 175 45.563 -11.362 -0.930 1.00 1.00 H new ATOM 0 HD22 LEU A 175 45.488 -9.646 -0.462 1.00 1.00 H new ATOM 0 HD23 LEU A 175 45.586 -10.097 -2.181 1.00 1.00 H new ATOM 98 N VAL A 176 49.304 -6.835 -3.354 1.00 1.00 N ATOM 99 CA VAL A 176 49.765 -5.479 -3.648 1.00 1.00 C ATOM 100 C VAL A 176 48.587 -4.528 -3.691 1.00 1.00 C ATOM 101 O VAL A 176 47.442 -4.961 -3.759 1.00 1.00 O ATOM 102 CB VAL A 176 50.483 -5.452 -4.996 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.706 -6.356 -4.931 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.544 -5.953 -6.096 1.00 1.00 C ATOM 0 H VAL A 176 48.552 -7.165 -3.959 1.00 1.00 H new ATOM 0 HA VAL A 176 50.454 -5.167 -2.863 1.00 1.00 H new ATOM 0 HB VAL A 176 50.788 -4.430 -5.221 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.222 -6.340 -5.891 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.380 -6.001 -4.151 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.393 -7.375 -4.704 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.062 -5.931 -7.055 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.235 -6.974 -5.874 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.665 -5.311 -6.144 1.00 1.00 H new ATOM 114 N ILE A 177 48.878 -3.228 -3.643 1.00 1.00 N ATOM 115 CA ILE A 177 47.830 -2.207 -3.675 1.00 1.00 C ATOM 116 C ILE A 177 48.100 -1.204 -4.790 1.00 1.00 C ATOM 117 O ILE A 177 49.192 -0.645 -4.878 1.00 1.00 O ATOM 118 CB ILE A 177 47.780 -1.476 -2.332 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.856 -2.507 -1.194 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.470 -0.681 -2.230 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.504 -1.840 0.141 1.00 1.00 C ATOM 0 H ILE A 177 49.826 -2.858 -3.582 1.00 1.00 H new ATOM 0 HA ILE A 177 46.873 -2.694 -3.862 1.00 1.00 H new ATOM 0 HB ILE A 177 48.621 -0.788 -2.254 1.00 1.00 H new ATOM 0 HG12 ILE A 177 47.169 -3.330 -1.391 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.858 -2.933 -1.144 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.434 -0.160 -1.273 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.421 0.046 -3.041 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.623 -1.364 -2.303 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.560 -2.577 0.942 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.208 -1.032 0.341 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.493 -1.436 0.090 1.00 1.00 H new ATOM 133 N ALA A 178 47.094 -0.981 -5.631 1.00 1.00 N ATOM 134 CA ALA A 178 47.222 -0.041 -6.741 1.00 1.00 C ATOM 135 C ALA A 178 47.071 1.398 -6.249 1.00 1.00 C ATOM 136 O ALA A 178 45.993 1.809 -5.820 1.00 1.00 O ATOM 137 CB ALA A 178 46.161 -0.339 -7.807 1.00 1.00 C ATOM 0 H ALA A 178 46.184 -1.437 -5.566 1.00 1.00 H new ATOM 0 HA ALA A 178 48.214 -0.158 -7.178 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.264 0.367 -8.631 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.295 -1.354 -8.180 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.168 -0.242 -7.369 1.00 1.00 H new ATOM 143 N LEU A 179 48.159 2.156 -6.314 1.00 1.00 N ATOM 144 CA LEU A 179 48.137 3.544 -5.871 1.00 1.00 C ATOM 145 C LEU A 179 47.192 4.368 -6.734 1.00 1.00 C ATOM 146 O LEU A 179 46.450 5.209 -6.227 1.00 1.00 O ATOM 147 CB LEU A 179 49.544 4.135 -5.944 1.00 1.00 C ATOM 148 CG LEU A 179 50.439 3.465 -4.888 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.899 3.848 -5.146 1.00 1.00 C ATOM 150 CD2 LEU A 179 50.029 3.898 -3.461 1.00 1.00 C ATOM 0 H LEU A 179 49.061 1.836 -6.666 1.00 1.00 H new ATOM 0 HA LEU A 179 47.783 3.571 -4.840 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.962 3.983 -6.939 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.507 5.211 -5.774 1.00 1.00 H new ATOM 0 HG LEU A 179 50.320 2.384 -4.964 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.537 3.375 -4.399 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.193 3.511 -6.140 1.00 1.00 H new ATOM 0 HD13 LEU A 179 52.008 4.931 -5.083 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.677 3.411 -2.733 1.00 1.00 H new ATOM 0 HD22 LEU A 179 50.126 4.980 -3.367 1.00 1.00 H new ATOM 0 HD23 LEU A 179 48.994 3.610 -3.276 1.00 1.00 H new ATOM 162 N TYR A 180 47.228 4.126 -8.042 1.00 1.00 N ATOM 163 CA TYR A 180 46.373 4.854 -8.982 1.00 1.00 C ATOM 164 C TYR A 180 45.582 3.881 -9.846 1.00 1.00 C ATOM 165 O TYR A 180 46.022 2.760 -10.100 1.00 1.00 O ATOM 166 CB TYR A 180 47.232 5.749 -9.875 1.00 1.00 C ATOM 167 CG TYR A 180 48.035 6.695 -9.013 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.433 7.842 -8.479 1.00 1.00 C ATOM 169 CD2 TYR A 180 49.384 6.426 -8.745 1.00 1.00 C ATOM 170 CE1 TYR A 180 48.179 8.718 -7.680 1.00 1.00 C ATOM 171 CE2 TYR A 180 50.129 7.302 -7.947 1.00 1.00 C ATOM 172 CZ TYR A 180 49.527 8.447 -7.414 1.00 1.00 C ATOM 173 OH TYR A 180 50.262 9.311 -6.628 1.00 1.00 O ATOM 0 H TYR A 180 47.838 3.433 -8.476 1.00 1.00 H new ATOM 0 HA TYR A 180 45.674 5.468 -8.414 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.899 5.140 -10.485 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.599 6.312 -10.561 1.00 1.00 H new ATOM 0 HD1 TYR A 180 46.393 8.051 -8.684 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.849 5.542 -9.155 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.715 9.602 -7.269 1.00 1.00 H new ATOM 0 HE2 TYR A 180 51.169 7.094 -7.743 1.00 1.00 H new ATOM 0 HH TYR A 180 51.179 8.975 -6.542 1.00 1.00 H new ATOM 183 N ASP A 181 44.411 4.319 -10.295 1.00 1.00 N ATOM 184 CA ASP A 181 43.566 3.478 -11.131 1.00 1.00 C ATOM 185 C ASP A 181 44.136 3.393 -12.541 1.00 1.00 C ATOM 186 O ASP A 181 43.887 4.267 -13.372 1.00 1.00 O ATOM 187 CB ASP A 181 42.152 4.057 -11.189 1.00 1.00 C ATOM 188 CG ASP A 181 41.249 3.143 -12.013 1.00 1.00 C ATOM 189 OD1 ASP A 181 41.765 2.209 -12.604 1.00 1.00 O ATOM 190 OD2 ASP A 181 40.055 3.392 -12.042 1.00 1.00 O ATOM 0 H ASP A 181 44.029 5.243 -10.096 1.00 1.00 H new ATOM 0 HA ASP A 181 43.533 2.478 -10.698 1.00 1.00 H new ATOM 0 HB2 ASP A 181 41.752 4.165 -10.181 1.00 1.00 H new ATOM 0 HB3 ASP A 181 42.176 5.053 -11.630 1.00 1.00 H new ATOM 195 N TYR A 182 44.899 2.337 -12.808 1.00 1.00 N ATOM 196 CA TYR A 182 45.502 2.142 -14.128 1.00 1.00 C ATOM 197 C TYR A 182 44.710 1.114 -14.925 1.00 1.00 C ATOM 198 O TYR A 182 44.709 -0.072 -14.596 1.00 1.00 O ATOM 199 CB TYR A 182 46.948 1.657 -13.975 1.00 1.00 C ATOM 200 CG TYR A 182 47.516 1.331 -15.336 1.00 1.00 C ATOM 201 CD1 TYR A 182 48.106 2.336 -16.108 1.00 1.00 C ATOM 202 CD2 TYR A 182 47.446 0.021 -15.824 1.00 1.00 C ATOM 203 CE1 TYR A 182 48.629 2.031 -17.371 1.00 1.00 C ATOM 204 CE2 TYR A 182 47.968 -0.286 -17.085 1.00 1.00 C ATOM 205 CZ TYR A 182 48.560 0.720 -17.859 1.00 1.00 C ATOM 206 OH TYR A 182 49.075 0.420 -19.104 1.00 1.00 O ATOM 0 H TYR A 182 45.115 1.604 -12.132 1.00 1.00 H new ATOM 0 HA TYR A 182 45.489 3.094 -14.658 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.551 2.425 -13.492 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.981 0.776 -13.334 1.00 1.00 H new ATOM 0 HD1 TYR A 182 48.158 3.347 -15.731 1.00 1.00 H new ATOM 0 HD2 TYR A 182 46.989 -0.754 -15.226 1.00 1.00 H new ATOM 0 HE1 TYR A 182 49.085 2.806 -17.968 1.00 1.00 H new ATOM 0 HE2 TYR A 182 47.915 -1.297 -17.461 1.00 1.00 H new ATOM 0 HH TYR A 182 48.947 -0.534 -19.290 1.00 1.00 H new ATOM 319 N LEU A 190 45.474 -6.303 -16.637 1.00 1.00 N ATOM 320 CA LEU A 190 44.550 -6.395 -15.516 1.00 1.00 C ATOM 321 C LEU A 190 44.201 -4.997 -15.006 1.00 1.00 C ATOM 322 O LEU A 190 45.060 -4.280 -14.491 1.00 1.00 O ATOM 323 CB LEU A 190 45.172 -7.213 -14.378 1.00 1.00 C ATOM 324 CG LEU A 190 44.134 -7.457 -13.275 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.040 -8.422 -13.768 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.835 -8.055 -12.054 1.00 1.00 C ATOM 0 HA LEU A 190 43.642 -6.892 -15.858 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.537 -8.166 -14.762 1.00 1.00 H new ATOM 0 HB3 LEU A 190 46.032 -6.684 -13.968 1.00 1.00 H new ATOM 0 HG LEU A 190 43.666 -6.509 -13.009 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.312 -8.584 -12.973 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.540 -7.992 -14.636 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.493 -9.374 -14.045 1.00 1.00 H new ATOM 0 HD21 LEU A 190 44.104 -8.232 -11.265 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.306 -8.999 -12.330 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.596 -7.362 -11.695 1.00 1.00 H new ATOM 338 N ALA A 191 42.938 -4.612 -15.148 1.00 1.00 N ATOM 339 CA ALA A 191 42.505 -3.297 -14.693 1.00 1.00 C ATOM 340 C ALA A 191 42.750 -3.149 -13.194 1.00 1.00 C ATOM 341 O ALA A 191 42.328 -3.988 -12.399 1.00 1.00 O ATOM 342 CB ALA A 191 41.015 -3.110 -14.993 1.00 1.00 C ATOM 0 H ALA A 191 42.205 -5.183 -15.569 1.00 1.00 H new ATOM 0 HA ALA A 191 43.079 -2.536 -15.221 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.696 -2.125 -14.651 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.847 -3.193 -16.067 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.440 -3.878 -14.475 1.00 1.00 H new ATOM 348 N LEU A 192 43.443 -2.074 -12.815 1.00 1.00 N ATOM 349 CA LEU A 192 43.755 -1.816 -11.407 1.00 1.00 C ATOM 350 C LEU A 192 42.923 -0.650 -10.890 1.00 1.00 C ATOM 351 O LEU A 192 42.839 0.397 -11.531 1.00 1.00 O ATOM 352 CB LEU A 192 45.233 -1.481 -11.260 1.00 1.00 C ATOM 353 CG LEU A 192 46.075 -2.540 -11.980 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.561 -2.171 -11.877 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.837 -3.925 -11.341 1.00 1.00 C ATOM 0 H LEU A 192 43.798 -1.369 -13.461 1.00 1.00 H new ATOM 0 HA LEU A 192 43.522 -2.709 -10.828 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.436 -0.495 -11.678 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.504 -1.442 -10.205 1.00 1.00 H new ATOM 0 HG LEU A 192 45.783 -2.578 -13.029 1.00 1.00 H new ATOM 0 HD11 LEU A 192 48.159 -2.924 -12.389 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.727 -1.199 -12.341 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.853 -2.127 -10.828 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.439 -4.672 -11.858 1.00 1.00 H new ATOM 0 HD22 LEU A 192 46.122 -3.894 -10.289 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.782 -4.188 -11.424 1.00 1.00 H new ATOM 367 N ARG A 193 42.308 -0.846 -9.727 1.00 1.00 N ATOM 368 CA ARG A 193 41.464 0.183 -9.111 1.00 1.00 C ATOM 369 C ARG A 193 42.194 0.818 -7.934 1.00 1.00 C ATOM 370 O ARG A 193 42.940 0.156 -7.219 1.00 1.00 O ATOM 371 CB ARG A 193 40.118 -0.436 -8.637 1.00 1.00 C ATOM 372 CG ARG A 193 39.990 -1.857 -9.168 1.00 1.00 C ATOM 373 CD ARG A 193 38.628 -2.429 -8.776 1.00 1.00 C ATOM 374 NE ARG A 193 38.504 -3.803 -9.245 1.00 1.00 N ATOM 375 CZ ARG A 193 37.329 -4.421 -9.244 1.00 1.00 C ATOM 376 NH1 ARG A 193 36.267 -3.797 -8.815 1.00 1.00 N ATOM 377 NH2 ARG A 193 37.238 -5.650 -9.670 1.00 1.00 N ATOM 0 H ARG A 193 42.376 -1.709 -9.188 1.00 1.00 H new ATOM 0 HA ARG A 193 41.250 0.953 -9.852 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.072 -0.439 -7.548 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.284 0.171 -8.990 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.100 -1.862 -10.252 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.788 -2.480 -8.764 1.00 1.00 H new ATOM 0 HD2 ARG A 193 38.509 -2.395 -7.693 1.00 1.00 H new ATOM 0 HD3 ARG A 193 37.833 -1.818 -9.203 1.00 1.00 H new ATOM 0 HE ARG A 193 39.332 -4.297 -9.579 1.00 1.00 H new ATOM 0 HH11 ARG A 193 36.340 -2.836 -8.481 1.00 1.00 H new ATOM 0 HH12 ARG A 193 35.363 -4.270 -8.813 1.00 1.00 H new ATOM 0 HH21 ARG A 193 38.070 -6.137 -10.004 1.00 1.00 H new ATOM 0 HH22 ARG A 193 36.335 -6.125 -9.669 1.00 1.00 H new ATOM 391 N CYS A 194 41.972 2.105 -7.744 1.00 1.00 N ATOM 392 CA CYS A 194 42.609 2.818 -6.653 1.00 1.00 C ATOM 393 C CYS A 194 42.136 2.275 -5.313 1.00 1.00 C ATOM 394 O CYS A 194 40.935 2.134 -5.091 1.00 1.00 O ATOM 395 CB CYS A 194 42.263 4.302 -6.739 1.00 1.00 C ATOM 396 SG CYS A 194 40.556 4.572 -6.180 1.00 1.00 S ATOM 0 H CYS A 194 41.359 2.675 -8.327 1.00 1.00 H new ATOM 0 HA CYS A 194 43.687 2.681 -6.733 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.952 4.881 -6.124 1.00 1.00 H new ATOM 0 HB3 CYS A 194 42.379 4.653 -7.765 1.00 1.00 H new ATOM 0 HG CYS A 194 40.214 3.626 -5.356 1.00 1.00 H new ATOM 402 N ASP A 195 43.090 1.968 -4.438 1.00 1.00 N ATOM 403 CA ASP A 195 42.780 1.432 -3.110 1.00 1.00 C ATOM 404 C ASP A 195 42.622 -0.083 -3.167 1.00 1.00 C ATOM 405 O ASP A 195 42.839 -0.775 -2.171 1.00 1.00 O ATOM 406 CB ASP A 195 41.485 2.070 -2.554 1.00 1.00 C ATOM 407 CG ASP A 195 41.497 2.095 -1.027 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.509 2.483 -0.467 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.489 1.732 -0.443 1.00 1.00 O ATOM 0 H ASP A 195 44.087 2.081 -4.623 1.00 1.00 H new ATOM 0 HA ASP A 195 43.609 1.677 -2.446 1.00 1.00 H new ATOM 0 HB2 ASP A 195 41.383 3.085 -2.937 1.00 1.00 H new ATOM 0 HB3 ASP A 195 40.619 1.508 -2.905 1.00 1.00 H new ATOM 414 N GLU A 196 42.242 -0.599 -4.332 1.00 1.00 N ATOM 415 CA GLU A 196 42.059 -2.028 -4.489 1.00 1.00 C ATOM 416 C GLU A 196 43.403 -2.738 -4.423 1.00 1.00 C ATOM 417 O GLU A 196 44.454 -2.126 -4.610 1.00 1.00 O ATOM 418 CB GLU A 196 41.361 -2.318 -5.832 1.00 1.00 C ATOM 419 CG GLU A 196 41.313 -3.821 -6.096 1.00 1.00 C ATOM 420 CD GLU A 196 40.653 -4.534 -4.921 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.773 -3.943 -4.318 1.00 1.00 O ATOM 422 OE2 GLU A 196 41.036 -5.658 -4.641 1.00 1.00 O ATOM 0 H GLU A 196 42.057 -0.050 -5.172 1.00 1.00 H new ATOM 0 HA GLU A 196 41.432 -2.401 -3.679 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.349 -1.913 -5.818 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.893 -1.818 -6.641 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.757 -4.020 -7.012 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.322 -4.205 -6.245 1.00 1.00 H new ATOM 429 N GLU A 197 43.357 -4.043 -4.169 1.00 1.00 N ATOM 430 CA GLU A 197 44.566 -4.854 -4.097 1.00 1.00 C ATOM 431 C GLU A 197 44.399 -6.130 -4.915 1.00 1.00 C ATOM 432 O GLU A 197 43.296 -6.471 -5.343 1.00 1.00 O ATOM 433 CB GLU A 197 44.878 -5.204 -2.647 1.00 1.00 C ATOM 434 CG GLU A 197 43.605 -5.678 -1.963 1.00 1.00 C ATOM 435 CD GLU A 197 43.944 -6.343 -0.634 1.00 1.00 C ATOM 436 OE1 GLU A 197 45.002 -6.942 -0.547 1.00 1.00 O ATOM 437 OE2 GLU A 197 43.140 -6.241 0.278 1.00 1.00 O ATOM 0 H GLU A 197 42.493 -4.561 -4.009 1.00 1.00 H new ATOM 0 HA GLU A 197 45.395 -4.278 -4.510 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.640 -5.982 -2.604 1.00 1.00 H new ATOM 0 HB3 GLU A 197 45.281 -4.334 -2.129 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.936 -4.834 -1.796 1.00 1.00 H new ATOM 0 HG3 GLU A 197 43.077 -6.381 -2.607 1.00 1.00 H new ATOM 444 N TYR A 198 45.508 -6.825 -5.130 1.00 1.00 N ATOM 445 CA TYR A 198 45.503 -8.065 -5.905 1.00 1.00 C ATOM 446 C TYR A 198 46.512 -9.047 -5.330 1.00 1.00 C ATOM 447 O TYR A 198 47.253 -8.714 -4.411 1.00 1.00 O ATOM 448 CB TYR A 198 45.865 -7.775 -7.353 1.00 1.00 C ATOM 449 CG TYR A 198 44.836 -6.850 -7.951 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.886 -5.482 -7.672 1.00 1.00 C ATOM 451 CD2 TYR A 198 43.833 -7.361 -8.778 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.934 -4.617 -8.224 1.00 1.00 C ATOM 453 CE2 TYR A 198 42.876 -6.495 -9.333 1.00 1.00 C ATOM 454 CZ TYR A 198 42.928 -5.124 -9.054 1.00 1.00 C ATOM 455 OH TYR A 198 41.987 -4.272 -9.598 1.00 1.00 O ATOM 0 H TYR A 198 46.426 -6.553 -4.779 1.00 1.00 H new ATOM 0 HA TYR A 198 44.504 -8.499 -5.856 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.854 -7.321 -7.408 1.00 1.00 H new ATOM 0 HB3 TYR A 198 45.909 -8.704 -7.921 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.661 -5.091 -7.029 1.00 1.00 H new ATOM 0 HD2 TYR A 198 43.793 -8.419 -8.990 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.976 -3.559 -8.010 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.101 -6.887 -9.975 1.00 1.00 H new ATOM 0 HH TYR A 198 42.073 -4.270 -10.574 1.00 1.00 H new ATOM 465 N TYR A 199 46.531 -10.257 -5.880 1.00 1.00 N ATOM 466 CA TYR A 199 47.453 -11.297 -5.422 1.00 1.00 C ATOM 467 C TYR A 199 48.739 -11.250 -6.217 1.00 1.00 C ATOM 468 O TYR A 199 48.711 -11.251 -7.434 1.00 1.00 O ATOM 469 CB TYR A 199 46.796 -12.691 -5.594 1.00 1.00 C ATOM 470 CG TYR A 199 46.342 -13.216 -4.260 1.00 1.00 C ATOM 471 CD1 TYR A 199 47.298 -13.658 -3.342 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.984 -13.246 -3.943 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.903 -14.139 -2.096 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.575 -13.722 -2.695 1.00 1.00 C ATOM 475 CZ TYR A 199 45.534 -14.171 -1.765 1.00 1.00 C ATOM 476 OH TYR A 199 45.135 -14.634 -0.528 1.00 1.00 O ATOM 0 H TYR A 199 45.919 -10.544 -6.644 1.00 1.00 H new ATOM 0 HA TYR A 199 47.679 -11.123 -4.370 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.947 -12.620 -6.274 1.00 1.00 H new ATOM 0 HB3 TYR A 199 47.507 -13.384 -6.043 1.00 1.00 H new ATOM 0 HD1 TYR A 199 48.346 -13.627 -3.599 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.252 -12.903 -4.659 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.641 -14.485 -1.388 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.525 -13.746 -2.443 1.00 1.00 H new ATOM 0 HH TYR A 199 44.158 -14.588 -0.461 1.00 1.00 H new ATOM 486 N LEU A 200 49.864 -11.213 -5.519 1.00 1.00 N ATOM 487 CA LEU A 200 51.157 -11.172 -6.177 1.00 1.00 C ATOM 488 C LEU A 200 51.582 -12.568 -6.609 1.00 1.00 C ATOM 489 O LEU A 200 51.662 -13.487 -5.791 1.00 1.00 O ATOM 490 CB LEU A 200 52.194 -10.618 -5.202 1.00 1.00 C ATOM 491 CG LEU A 200 53.618 -10.648 -5.841 1.00 1.00 C ATOM 492 CD1 LEU A 200 54.434 -9.417 -5.396 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.362 -11.962 -5.455 1.00 1.00 C ATOM 0 H LEU A 200 49.906 -11.211 -4.500 1.00 1.00 H new ATOM 0 HA LEU A 200 51.084 -10.536 -7.059 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.934 -9.596 -4.928 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.189 -11.206 -4.284 1.00 1.00 H new ATOM 0 HG LEU A 200 53.510 -10.618 -6.925 1.00 1.00 H new ATOM 0 HD11 LEU A 200 55.424 -9.453 -5.850 1.00 1.00 H new ATOM 0 HD12 LEU A 200 53.923 -8.508 -5.712 1.00 1.00 H new ATOM 0 HD13 LEU A 200 54.533 -9.419 -4.310 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.353 -11.966 -5.909 1.00 1.00 H new ATOM 0 HD22 LEU A 200 54.459 -12.020 -4.371 1.00 1.00 H new ATOM 0 HD23 LEU A 200 53.795 -12.820 -5.815 1.00 1.00 H new ATOM 505 N LEU A 201 51.842 -12.727 -7.902 1.00 1.00 N ATOM 506 CA LEU A 201 52.261 -14.020 -8.450 1.00 1.00 C ATOM 507 C LEU A 201 53.741 -13.989 -8.793 1.00 1.00 C ATOM 508 O LEU A 201 54.545 -14.679 -8.167 1.00 1.00 O ATOM 509 CB LEU A 201 51.451 -14.352 -9.711 1.00 1.00 C ATOM 510 CG LEU A 201 49.995 -14.729 -9.327 1.00 1.00 C ATOM 511 CD1 LEU A 201 49.122 -13.467 -9.234 1.00 1.00 C ATOM 512 CD2 LEU A 201 49.420 -15.685 -10.376 1.00 1.00 C ATOM 0 H LEU A 201 51.771 -11.980 -8.593 1.00 1.00 H new ATOM 0 HA LEU A 201 52.082 -14.788 -7.697 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.447 -13.496 -10.386 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.919 -15.178 -10.246 1.00 1.00 H new ATOM 0 HG LEU A 201 50.001 -15.220 -8.354 1.00 1.00 H new ATOM 0 HD11 LEU A 201 48.104 -13.748 -8.964 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.528 -12.799 -8.474 1.00 1.00 H new ATOM 0 HD13 LEU A 201 49.114 -12.958 -10.198 1.00 1.00 H new ATOM 0 HD21 LEU A 201 48.398 -15.949 -10.106 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.423 -15.199 -11.352 1.00 1.00 H new ATOM 0 HD23 LEU A 201 50.029 -16.588 -10.418 1.00 1.00 H new ATOM 524 N ASP A 202 54.099 -13.184 -9.790 1.00 1.00 N ATOM 525 CA ASP A 202 55.492 -13.068 -10.208 1.00 1.00 C ATOM 526 C ASP A 202 56.139 -11.860 -9.547 1.00 1.00 C ATOM 527 O ASP A 202 56.056 -10.745 -10.057 1.00 1.00 O ATOM 528 CB ASP A 202 55.570 -12.917 -11.728 1.00 1.00 C ATOM 529 CG ASP A 202 57.028 -12.855 -12.165 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.883 -12.819 -11.296 1.00 1.00 O ATOM 531 OD2 ASP A 202 57.269 -12.848 -13.360 1.00 1.00 O ATOM 0 H ASP A 202 53.447 -12.606 -10.320 1.00 1.00 H new ATOM 0 HA ASP A 202 56.023 -13.970 -9.905 1.00 1.00 H new ATOM 0 HB2 ASP A 202 55.071 -13.756 -12.212 1.00 1.00 H new ATOM 0 HB3 ASP A 202 55.048 -12.012 -12.040 1.00 1.00 H new ATOM 536 N SER A 203 56.778 -12.089 -8.406 1.00 1.00 N ATOM 537 CA SER A 203 57.431 -11.007 -7.671 1.00 1.00 C ATOM 538 C SER A 203 58.838 -10.786 -8.201 1.00 1.00 C ATOM 539 O SER A 203 59.676 -10.182 -7.533 1.00 1.00 O ATOM 540 CB SER A 203 57.484 -11.362 -6.177 1.00 1.00 C ATOM 541 OG SER A 203 58.831 -11.593 -5.771 1.00 1.00 O ATOM 0 H SER A 203 56.859 -13.007 -7.970 1.00 1.00 H new ATOM 0 HA SER A 203 56.860 -10.089 -7.805 1.00 1.00 H new ATOM 0 HB2 SER A 203 57.053 -10.552 -5.588 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.882 -12.250 -5.986 1.00 1.00 H new ATOM 0 HG SER A 203 59.367 -10.791 -5.945 1.00 1.00 H new ATOM 609 N TRP A 208 57.992 -7.907 -15.297 1.00 1.00 N ATOM 610 CA TRP A 208 56.682 -7.396 -14.911 1.00 1.00 C ATOM 611 C TRP A 208 56.085 -8.216 -13.773 1.00 1.00 C ATOM 612 O TRP A 208 56.336 -9.415 -13.658 1.00 1.00 O ATOM 613 CB TRP A 208 55.741 -7.448 -16.111 1.00 1.00 C ATOM 614 CG TRP A 208 56.116 -6.393 -17.092 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.967 -6.563 -18.125 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.654 -5.016 -17.155 1.00 1.00 C ATOM 617 NE1 TRP A 208 57.071 -5.371 -18.814 1.00 1.00 N ATOM 618 CE2 TRP A 208 56.275 -4.383 -18.255 1.00 1.00 C ATOM 619 CE3 TRP A 208 54.767 -4.262 -16.366 1.00 1.00 C ATOM 620 CZ2 TRP A 208 56.022 -3.043 -18.562 1.00 1.00 C ATOM 621 CZ3 TRP A 208 54.510 -2.919 -16.670 1.00 1.00 C ATOM 622 CH2 TRP A 208 55.134 -2.309 -17.764 1.00 1.00 C ATOM 0 HA TRP A 208 56.805 -6.368 -14.571 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.791 -8.430 -16.582 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.711 -7.304 -15.784 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.482 -7.480 -18.372 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.662 -5.234 -19.634 1.00 1.00 H new ATOM 0 HE3 TRP A 208 54.280 -4.722 -15.519 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 56.507 -2.577 -19.407 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 53.826 -2.351 -16.057 1.00 1.00 H new ATOM 0 HH2 TRP A 208 54.931 -1.273 -17.993 1.00 1.00 H new ATOM 633 N TRP A 209 55.283 -7.559 -12.940 1.00 1.00 N ATOM 634 CA TRP A 209 54.642 -8.227 -11.807 1.00 1.00 C ATOM 635 C TRP A 209 53.269 -8.743 -12.206 1.00 1.00 C ATOM 636 O TRP A 209 52.360 -7.978 -12.537 1.00 1.00 O ATOM 637 CB TRP A 209 54.528 -7.244 -10.618 1.00 1.00 C ATOM 638 CG TRP A 209 55.663 -7.423 -9.648 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.882 -7.959 -9.925 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.698 -7.066 -8.241 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.637 -7.967 -8.777 1.00 1.00 N ATOM 642 CE2 TRP A 209 56.960 -7.421 -7.717 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.764 -6.475 -7.373 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.288 -7.201 -6.389 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.094 -6.247 -6.030 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.355 -6.609 -5.540 1.00 1.00 C ATOM 0 H TRP A 209 55.061 -6.567 -13.026 1.00 1.00 H new ATOM 0 HA TRP A 209 55.252 -9.078 -11.504 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.523 -6.219 -10.990 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.580 -7.401 -10.104 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.204 -8.320 -10.891 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.587 -8.335 -8.720 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.788 -6.195 -7.742 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.260 -7.486 -6.014 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.372 -5.790 -5.370 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.604 -6.429 -4.505 1.00 1.00 H new ATOM 657 N ARG A 210 53.138 -10.063 -12.155 1.00 1.00 N ATOM 658 CA ARG A 210 51.885 -10.710 -12.488 1.00 1.00 C ATOM 659 C ARG A 210 50.966 -10.698 -11.287 1.00 1.00 C ATOM 660 O ARG A 210 51.349 -11.125 -10.197 1.00 1.00 O ATOM 661 CB ARG A 210 52.131 -12.158 -12.925 1.00 1.00 C ATOM 662 CG ARG A 210 52.741 -12.172 -14.323 1.00 1.00 C ATOM 663 CD ARG A 210 53.016 -13.616 -14.742 1.00 1.00 C ATOM 664 NE ARG A 210 53.521 -13.656 -16.109 1.00 1.00 N ATOM 665 CZ ARG A 210 53.976 -14.783 -16.642 1.00 1.00 C ATOM 666 NH1 ARG A 210 53.976 -15.882 -15.941 1.00 1.00 N ATOM 667 NH2 ARG A 210 54.420 -14.790 -17.870 1.00 1.00 N ATOM 0 H ARG A 210 53.886 -10.702 -11.886 1.00 1.00 H new ATOM 0 HA ARG A 210 51.421 -10.165 -13.310 1.00 1.00 H new ATOM 0 HB2 ARG A 210 52.799 -12.653 -12.220 1.00 1.00 H new ATOM 0 HB3 ARG A 210 51.194 -12.715 -12.920 1.00 1.00 H new ATOM 0 HG2 ARG A 210 52.062 -11.699 -15.033 1.00 1.00 H new ATOM 0 HG3 ARG A 210 53.666 -11.596 -14.334 1.00 1.00 H new ATOM 0 HD2 ARG A 210 53.742 -14.067 -14.065 1.00 1.00 H new ATOM 0 HD3 ARG A 210 52.102 -14.205 -14.667 1.00 1.00 H new ATOM 0 HE ARG A 210 53.525 -12.802 -16.666 1.00 1.00 H new ATOM 0 HH11 ARG A 210 53.626 -15.876 -14.983 1.00 1.00 H new ATOM 0 HH12 ARG A 210 54.326 -16.748 -16.351 1.00 1.00 H new ATOM 0 HH21 ARG A 210 54.417 -13.930 -18.418 1.00 1.00 H new ATOM 0 HH22 ARG A 210 54.770 -15.656 -18.281 1.00 1.00 H new ATOM 681 N VAL A 211 49.748 -10.194 -11.482 1.00 1.00 N ATOM 682 CA VAL A 211 48.771 -10.116 -10.399 1.00 1.00 C ATOM 683 C VAL A 211 47.511 -10.892 -10.775 1.00 1.00 C ATOM 684 O VAL A 211 47.253 -11.133 -11.954 1.00 1.00 O ATOM 685 CB VAL A 211 48.407 -8.651 -10.132 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.509 -7.994 -9.304 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.260 -7.912 -11.462 1.00 1.00 C ATOM 0 H VAL A 211 49.416 -9.835 -12.377 1.00 1.00 H new ATOM 0 HA VAL A 211 49.206 -10.552 -9.500 1.00 1.00 H new ATOM 0 HB VAL A 211 47.466 -8.605 -9.584 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.250 -6.952 -9.114 1.00 1.00 H new ATOM 0 HG12 VAL A 211 49.614 -8.520 -8.355 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.451 -8.040 -9.850 1.00 1.00 H new ATOM 0 HG21 VAL A 211 48.001 -6.870 -11.273 1.00 1.00 H new ATOM 0 HG22 VAL A 211 49.201 -7.958 -12.010 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.473 -8.380 -12.053 1.00 1.00 H new ATOM 697 N GLN A 212 46.721 -11.283 -9.769 1.00 1.00 N ATOM 698 CA GLN A 212 45.489 -12.030 -10.003 1.00 1.00 C ATOM 699 C GLN A 212 44.388 -11.508 -9.092 1.00 1.00 C ATOM 700 O GLN A 212 44.570 -11.404 -7.878 1.00 1.00 O ATOM 701 CB GLN A 212 45.720 -13.516 -9.728 1.00 1.00 C ATOM 702 CG GLN A 212 44.416 -14.280 -9.924 1.00 1.00 C ATOM 703 CD GLN A 212 44.681 -15.780 -9.890 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.827 -16.213 -10.007 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.680 -16.604 -9.744 1.00 1.00 N ATOM 0 H GLN A 212 46.916 -11.093 -8.786 1.00 1.00 H new ATOM 0 HA GLN A 212 45.188 -11.900 -11.043 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.486 -13.906 -10.398 1.00 1.00 H new ATOM 0 HB3 GLN A 212 46.086 -13.656 -8.711 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.706 -14.010 -9.143 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.963 -14.004 -10.876 1.00 1.00 H new ATOM 0 HE21 GLN A 212 42.731 -16.242 -9.647 1.00 1.00 H new ATOM 0 HE22 GLN A 212 43.846 -17.610 -9.727 1.00 1.00 H new ATOM 714 N ASP A 213 43.242 -11.187 -9.682 1.00 1.00 N ATOM 715 CA ASP A 213 42.108 -10.679 -8.918 1.00 1.00 C ATOM 716 C ASP A 213 41.266 -11.833 -8.400 1.00 1.00 C ATOM 717 O ASP A 213 41.280 -12.929 -8.960 1.00 1.00 O ATOM 718 CB ASP A 213 41.245 -9.782 -9.802 1.00 1.00 C ATOM 719 CG ASP A 213 40.304 -8.943 -8.945 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.237 -9.194 -7.753 1.00 1.00 O ATOM 721 OD2 ASP A 213 39.665 -8.060 -9.493 1.00 1.00 O ATOM 0 H ASP A 213 43.074 -11.269 -10.685 1.00 1.00 H new ATOM 0 HA ASP A 213 42.487 -10.103 -8.074 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.881 -9.130 -10.401 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.668 -10.392 -10.498 1.00 1.00 H new ATOM 726 N LYS A 214 40.543 -11.572 -7.327 1.00 1.00 N ATOM 727 CA LYS A 214 39.691 -12.588 -6.719 1.00 1.00 C ATOM 728 C LYS A 214 38.558 -12.971 -7.665 1.00 1.00 C ATOM 729 O LYS A 214 37.825 -13.929 -7.418 1.00 1.00 O ATOM 730 CB LYS A 214 39.104 -12.077 -5.401 1.00 1.00 C ATOM 731 CG LYS A 214 40.189 -12.073 -4.320 1.00 1.00 C ATOM 732 CD LYS A 214 41.301 -11.087 -4.706 1.00 1.00 C ATOM 733 CE LYS A 214 42.125 -10.728 -3.474 1.00 1.00 C ATOM 734 NZ LYS A 214 41.241 -10.088 -2.463 1.00 1.00 N ATOM 0 H LYS A 214 40.526 -10.668 -6.856 1.00 1.00 H new ATOM 0 HA LYS A 214 40.303 -13.468 -6.520 1.00 1.00 H new ATOM 0 HB2 LYS A 214 38.706 -11.071 -5.535 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.272 -12.710 -5.093 1.00 1.00 H new ATOM 0 HG2 LYS A 214 39.758 -11.792 -3.359 1.00 1.00 H new ATOM 0 HG3 LYS A 214 40.603 -13.075 -4.203 1.00 1.00 H new ATOM 0 HD2 LYS A 214 41.943 -11.529 -5.468 1.00 1.00 H new ATOM 0 HD3 LYS A 214 40.866 -10.186 -5.139 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.586 -11.623 -3.057 1.00 1.00 H new ATOM 0 HE3 LYS A 214 42.934 -10.051 -3.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 41.790 -9.402 -1.906 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 40.461 -9.597 -2.945 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 40.853 -10.816 -1.830 1.00 1.00 H new ATOM 748 N ASN A 215 38.410 -12.205 -8.745 1.00 1.00 N ATOM 749 CA ASN A 215 37.353 -12.461 -9.722 1.00 1.00 C ATOM 750 C ASN A 215 37.844 -13.407 -10.811 1.00 1.00 C ATOM 751 O ASN A 215 37.083 -13.791 -11.698 1.00 1.00 O ATOM 752 CB ASN A 215 36.899 -11.143 -10.352 1.00 1.00 C ATOM 753 CG ASN A 215 36.140 -10.313 -9.323 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.654 -10.850 -8.328 1.00 1.00 O ATOM 755 ND2 ASN A 215 36.013 -9.026 -9.502 1.00 1.00 N ATOM 0 H ASN A 215 39.005 -11.406 -8.965 1.00 1.00 H new ATOM 0 HA ASN A 215 36.513 -12.928 -9.208 1.00 1.00 H new ATOM 0 HB2 ASN A 215 37.763 -10.587 -10.716 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.262 -11.342 -11.214 1.00 1.00 H new ATOM 0 HD21 ASN A 215 35.510 -8.463 -8.816 1.00 1.00 H new ATOM 0 HD22 ASN A 215 36.417 -8.584 -10.328 1.00 1.00 H new ATOM 762 N GLY A 216 39.120 -13.780 -10.739 1.00 1.00 N ATOM 763 CA GLY A 216 39.706 -14.683 -11.727 1.00 1.00 C ATOM 764 C GLY A 216 40.361 -13.909 -12.862 1.00 1.00 C ATOM 765 O GLY A 216 40.664 -14.471 -13.914 1.00 1.00 O ATOM 0 H GLY A 216 39.765 -13.473 -10.011 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.446 -15.322 -11.245 1.00 1.00 H new ATOM 0 HA3 GLY A 216 38.933 -15.337 -12.129 1.00 1.00 H new ATOM 769 N HIS A 217 40.572 -12.609 -12.653 1.00 1.00 N ATOM 770 CA HIS A 217 41.190 -11.764 -13.673 1.00 1.00 C ATOM 771 C HIS A 217 42.659 -11.530 -13.347 1.00 1.00 C ATOM 772 O HIS A 217 43.002 -11.078 -12.257 1.00 1.00 O ATOM 773 CB HIS A 217 40.466 -10.419 -13.740 1.00 1.00 C ATOM 774 CG HIS A 217 39.038 -10.637 -14.150 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.093 -9.625 -14.096 1.00 1.00 N ATOM 776 CD2 HIS A 217 38.378 -11.743 -14.622 1.00 1.00 C ATOM 777 CE1 HIS A 217 36.926 -10.139 -14.525 1.00 1.00 C ATOM 778 NE2 HIS A 217 37.044 -11.427 -14.858 1.00 1.00 N ATOM 0 H HIS A 217 40.325 -12.121 -11.792 1.00 1.00 H new ATOM 0 HA HIS A 217 41.114 -12.269 -14.636 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.505 -9.925 -12.769 1.00 1.00 H new ATOM 0 HB3 HIS A 217 40.964 -9.762 -14.453 1.00 1.00 H new ATOM 0 HD2 HIS A 217 38.826 -12.712 -14.786 1.00 1.00 H new ATOM 0 HE1 HIS A 217 36.005 -9.578 -14.592 1.00 1.00 H new ATOM 0 HE2 HIS A 217 36.313 -12.046 -15.210 1.00 1.00 H new ATOM 786 N GLU A 218 43.525 -11.861 -14.301 1.00 1.00 N ATOM 787 CA GLU A 218 44.970 -11.703 -14.119 1.00 1.00 C ATOM 788 C GLU A 218 45.580 -10.907 -15.265 1.00 1.00 C ATOM 789 O GLU A 218 45.011 -10.827 -16.354 1.00 1.00 O ATOM 790 CB GLU A 218 45.627 -13.079 -14.040 1.00 1.00 C ATOM 791 CG GLU A 218 45.245 -13.905 -15.271 1.00 1.00 C ATOM 792 CD GLU A 218 45.968 -15.247 -15.250 1.00 1.00 C ATOM 793 OE1 GLU A 218 46.836 -15.417 -14.408 1.00 1.00 O ATOM 794 OE2 GLU A 218 45.651 -16.083 -16.079 1.00 1.00 O ATOM 0 H GLU A 218 43.254 -12.240 -15.208 1.00 1.00 H new ATOM 0 HA GLU A 218 45.145 -11.157 -13.192 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.710 -12.973 -13.983 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.309 -13.593 -13.133 1.00 1.00 H new ATOM 0 HG2 GLU A 218 44.167 -14.065 -15.290 1.00 1.00 H new ATOM 0 HG3 GLU A 218 45.503 -13.359 -16.179 1.00 1.00 H new ATOM 801 N GLY A 219 46.752 -10.326 -15.017 1.00 1.00 N ATOM 802 CA GLY A 219 47.447 -9.551 -16.037 1.00 1.00 C ATOM 803 C GLY A 219 48.614 -8.791 -15.421 1.00 1.00 C ATOM 804 O GLY A 219 48.707 -8.657 -14.199 1.00 1.00 O ATOM 0 H GLY A 219 47.237 -10.378 -14.121 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.810 -10.214 -16.822 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.755 -8.851 -16.505 1.00 1.00 H new ATOM 808 N TYR A 220 49.511 -8.294 -16.266 1.00 1.00 N ATOM 809 CA TYR A 220 50.672 -7.564 -15.789 1.00 1.00 C ATOM 810 C TYR A 220 50.257 -6.252 -15.147 1.00 1.00 C ATOM 811 O TYR A 220 49.350 -5.577 -15.616 1.00 1.00 O ATOM 812 CB TYR A 220 51.605 -7.279 -16.973 1.00 1.00 C ATOM 813 CG TYR A 220 52.158 -8.585 -17.500 1.00 1.00 C ATOM 814 CD1 TYR A 220 52.996 -9.370 -16.695 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.832 -9.016 -18.795 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.504 -10.577 -17.184 1.00 1.00 C ATOM 817 CE2 TYR A 220 52.342 -10.225 -19.280 1.00 1.00 C ATOM 818 CZ TYR A 220 53.178 -11.004 -18.476 1.00 1.00 C ATOM 819 OH TYR A 220 53.679 -12.197 -18.956 1.00 1.00 O ATOM 0 H TYR A 220 49.454 -8.385 -17.280 1.00 1.00 H new ATOM 0 HA TYR A 220 51.185 -8.168 -15.041 1.00 1.00 H new ATOM 0 HB2 TYR A 220 51.062 -6.756 -17.761 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.420 -6.626 -16.660 1.00 1.00 H new ATOM 0 HD1 TYR A 220 53.249 -9.042 -15.698 1.00 1.00 H new ATOM 0 HD2 TYR A 220 51.187 -8.414 -19.418 1.00 1.00 H new ATOM 0 HE1 TYR A 220 54.149 -11.181 -16.563 1.00 1.00 H new ATOM 0 HE2 TYR A 220 52.089 -10.556 -20.276 1.00 1.00 H new ATOM 0 HH TYR A 220 53.354 -12.344 -19.869 1.00 1.00 H new ATOM 829 N ALA A 221 50.918 -5.889 -14.058 1.00 1.00 N ATOM 830 CA ALA A 221 50.591 -4.640 -13.378 1.00 1.00 C ATOM 831 C ALA A 221 51.873 -3.921 -12.935 1.00 1.00 C ATOM 832 O ALA A 221 52.673 -4.489 -12.192 1.00 1.00 O ATOM 833 CB ALA A 221 49.712 -4.924 -12.168 1.00 1.00 C ATOM 0 H ALA A 221 51.671 -6.428 -13.631 1.00 1.00 H new ATOM 0 HA ALA A 221 50.050 -3.996 -14.071 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.472 -3.987 -11.665 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.791 -5.408 -12.493 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.243 -5.580 -11.478 1.00 1.00 H new ATOM 839 N PRO A 222 52.092 -2.694 -13.364 1.00 1.00 N ATOM 840 CA PRO A 222 53.311 -1.927 -12.978 1.00 1.00 C ATOM 841 C PRO A 222 53.607 -2.031 -11.477 1.00 1.00 C ATOM 842 O PRO A 222 52.840 -1.542 -10.652 1.00 1.00 O ATOM 843 CB PRO A 222 52.964 -0.481 -13.371 1.00 1.00 C ATOM 844 CG PRO A 222 51.948 -0.585 -14.464 1.00 1.00 C ATOM 845 CD PRO A 222 51.215 -1.910 -14.257 1.00 1.00 C ATOM 0 HA PRO A 222 54.208 -2.305 -13.468 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.566 0.070 -12.519 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.850 0.055 -13.711 1.00 1.00 H new ATOM 0 HG2 PRO A 222 51.252 0.253 -14.426 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.428 -0.557 -15.442 1.00 1.00 H new ATOM 0 HD2 PRO A 222 50.234 -1.753 -13.809 1.00 1.00 H new ATOM 0 HD3 PRO A 222 51.054 -2.425 -15.204 1.00 1.00 H new ATOM 853 N SER A 223 54.734 -2.654 -11.147 1.00 1.00 N ATOM 854 CA SER A 223 55.156 -2.815 -9.753 1.00 1.00 C ATOM 855 C SER A 223 55.495 -1.461 -9.134 1.00 1.00 C ATOM 856 O SER A 223 55.665 -1.342 -7.924 1.00 1.00 O ATOM 857 CB SER A 223 56.379 -3.724 -9.674 1.00 1.00 C ATOM 858 OG SER A 223 57.437 -3.154 -10.433 1.00 1.00 O ATOM 0 H SER A 223 55.377 -3.059 -11.828 1.00 1.00 H new ATOM 0 HA SER A 223 54.332 -3.264 -9.199 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.687 -3.849 -8.636 1.00 1.00 H new ATOM 0 HB3 SER A 223 56.135 -4.715 -10.056 1.00 1.00 H new ATOM 0 HG SER A 223 58.225 -3.734 -10.383 1.00 1.00 H new ATOM 864 N SER A 224 55.581 -0.448 -9.983 1.00 1.00 N ATOM 865 CA SER A 224 55.892 0.909 -9.523 1.00 1.00 C ATOM 866 C SER A 224 54.643 1.641 -9.030 1.00 1.00 C ATOM 867 O SER A 224 54.693 2.369 -8.040 1.00 1.00 O ATOM 868 CB SER A 224 56.523 1.712 -10.646 1.00 1.00 C ATOM 869 OG SER A 224 57.836 1.229 -10.885 1.00 1.00 O ATOM 0 H SER A 224 55.442 -0.533 -10.990 1.00 1.00 H new ATOM 0 HA SER A 224 56.590 0.816 -8.691 1.00 1.00 H new ATOM 0 HB2 SER A 224 55.922 1.628 -11.551 1.00 1.00 H new ATOM 0 HB3 SER A 224 56.554 2.769 -10.380 1.00 1.00 H new ATOM 0 HG SER A 224 58.247 1.744 -11.611 1.00 1.00 H new ATOM 875 N TYR A 225 53.532 1.465 -9.736 1.00 1.00 N ATOM 876 CA TYR A 225 52.288 2.142 -9.371 1.00 1.00 C ATOM 877 C TYR A 225 51.564 1.383 -8.272 1.00 1.00 C ATOM 878 O TYR A 225 50.365 1.566 -8.064 1.00 1.00 O ATOM 879 CB TYR A 225 51.378 2.251 -10.594 1.00 1.00 C ATOM 880 CG TYR A 225 51.960 3.251 -11.571 1.00 1.00 C ATOM 881 CD1 TYR A 225 53.158 2.965 -12.240 1.00 1.00 C ATOM 882 CD2 TYR A 225 51.305 4.469 -11.800 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.698 3.895 -13.139 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.847 5.399 -12.697 1.00 1.00 C ATOM 885 CZ TYR A 225 53.042 5.111 -13.367 1.00 1.00 C ATOM 886 OH TYR A 225 53.574 6.028 -14.251 1.00 1.00 O ATOM 0 H TYR A 225 53.464 0.865 -10.558 1.00 1.00 H new ATOM 0 HA TYR A 225 52.536 3.139 -9.006 1.00 1.00 H new ATOM 0 HB2 TYR A 225 51.276 1.277 -11.072 1.00 1.00 H new ATOM 0 HB3 TYR A 225 50.379 2.563 -10.290 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.665 2.028 -12.063 1.00 1.00 H new ATOM 0 HD2 TYR A 225 50.382 4.691 -11.285 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.620 3.674 -13.656 1.00 1.00 H new ATOM 0 HE2 TYR A 225 51.343 6.338 -12.872 1.00 1.00 H new ATOM 0 HH TYR A 225 52.994 6.817 -14.293 1.00 1.00 H new ATOM 896 N LEU A 226 52.302 0.540 -7.564 1.00 1.00 N ATOM 897 CA LEU A 226 51.729 -0.234 -6.472 1.00 1.00 C ATOM 898 C LEU A 226 52.788 -0.534 -5.421 1.00 1.00 C ATOM 899 O LEU A 226 53.973 -0.286 -5.634 1.00 1.00 O ATOM 900 CB LEU A 226 51.133 -1.532 -7.001 1.00 1.00 C ATOM 901 CG LEU A 226 52.218 -2.353 -7.727 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.179 -3.050 -6.726 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.529 -3.386 -8.636 1.00 1.00 C ATOM 0 H LEU A 226 53.296 0.375 -7.725 1.00 1.00 H new ATOM 0 HA LEU A 226 50.936 0.354 -6.010 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.716 -2.112 -6.178 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.313 -1.313 -7.685 1.00 1.00 H new ATOM 0 HG LEU A 226 52.828 -1.679 -8.328 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.929 -3.618 -7.277 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.673 -2.297 -6.112 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.611 -3.725 -6.086 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.285 -3.974 -9.156 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.908 -4.047 -8.031 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.905 -2.870 -9.366 1.00 1.00 H new ATOM 915 N VAL A 227 52.353 -1.074 -4.286 1.00 1.00 N ATOM 916 CA VAL A 227 53.275 -1.414 -3.195 1.00 1.00 C ATOM 917 C VAL A 227 52.921 -2.765 -2.592 1.00 1.00 C ATOM 918 O VAL A 227 51.788 -3.230 -2.708 1.00 1.00 O ATOM 919 CB VAL A 227 53.226 -0.342 -2.106 1.00 1.00 C ATOM 920 CG1 VAL A 227 53.864 0.945 -2.629 1.00 1.00 C ATOM 921 CG2 VAL A 227 51.770 -0.072 -1.729 1.00 1.00 C ATOM 0 H VAL A 227 51.374 -1.286 -4.094 1.00 1.00 H new ATOM 0 HA VAL A 227 54.283 -1.464 -3.608 1.00 1.00 H new ATOM 0 HB VAL A 227 53.773 -0.687 -1.229 1.00 1.00 H new ATOM 0 HG11 VAL A 227 53.829 1.710 -1.853 1.00 1.00 H new ATOM 0 HG12 VAL A 227 54.901 0.752 -2.902 1.00 1.00 H new ATOM 0 HG13 VAL A 227 53.317 1.292 -3.505 1.00 1.00 H new ATOM 0 HG21 VAL A 227 51.731 0.692 -0.953 1.00 1.00 H new ATOM 0 HG22 VAL A 227 51.225 0.275 -2.607 1.00 1.00 H new ATOM 0 HG23 VAL A 227 51.314 -0.990 -1.358 1.00 1.00 H new ATOM 931 N GLU A 228 53.900 -3.390 -1.949 1.00 1.00 N ATOM 932 CA GLU A 228 53.683 -4.691 -1.325 1.00 1.00 C ATOM 933 C GLU A 228 52.780 -4.557 -0.113 1.00 1.00 C ATOM 934 O GLU A 228 52.800 -3.539 0.578 1.00 1.00 O ATOM 935 CB GLU A 228 55.016 -5.305 -0.893 1.00 1.00 C ATOM 936 CG GLU A 228 55.798 -5.742 -2.125 1.00 1.00 C ATOM 937 CD GLU A 228 57.175 -6.256 -1.715 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.429 -6.326 -0.523 1.00 1.00 O ATOM 939 OE2 GLU A 228 57.957 -6.568 -2.598 1.00 1.00 O ATOM 0 H GLU A 228 54.845 -3.021 -1.846 1.00 1.00 H new ATOM 0 HA GLU A 228 53.206 -5.341 -2.059 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.594 -4.579 -0.321 1.00 1.00 H new ATOM 0 HB3 GLU A 228 54.840 -6.159 -0.239 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.252 -6.523 -2.654 1.00 1.00 H new ATOM 0 HG3 GLU A 228 55.904 -4.904 -2.814 1.00 1.00 H new ATOM 946 N LYS A 229 51.986 -5.596 0.144 1.00 1.00 N ATOM 947 CA LYS A 229 51.067 -5.599 1.289 1.00 1.00 C ATOM 948 C LYS A 229 51.440 -6.701 2.270 1.00 1.00 C ATOM 949 O LYS A 229 50.805 -6.863 3.311 1.00 1.00 O ATOM 950 CB LYS A 229 49.622 -5.800 0.806 1.00 1.00 C ATOM 951 CG LYS A 229 48.639 -5.341 1.887 1.00 1.00 C ATOM 952 CD LYS A 229 47.221 -5.391 1.332 1.00 1.00 C ATOM 953 CE LYS A 229 46.241 -4.979 2.431 1.00 1.00 C ATOM 954 NZ LYS A 229 44.851 -5.004 1.895 1.00 1.00 N ATOM 0 H LYS A 229 51.958 -6.445 -0.421 1.00 1.00 H new ATOM 0 HA LYS A 229 51.145 -4.637 1.796 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.455 -5.236 -0.112 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.452 -6.850 0.570 1.00 1.00 H new ATOM 0 HG2 LYS A 229 48.721 -5.982 2.765 1.00 1.00 H new ATOM 0 HG3 LYS A 229 48.881 -4.328 2.208 1.00 1.00 H new ATOM 0 HD2 LYS A 229 47.128 -4.723 0.475 1.00 1.00 H new ATOM 0 HD3 LYS A 229 46.990 -6.396 0.979 1.00 1.00 H new ATOM 0 HE2 LYS A 229 46.326 -5.656 3.281 1.00 1.00 H new ATOM 0 HE3 LYS A 229 46.484 -3.980 2.793 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 44.201 -4.596 2.597 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 44.807 -4.447 1.018 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 44.573 -5.986 1.696 1.00 1.00 H new