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 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= 1.23 USER MOD Single : A 198 TYR OH : rot 129:sc= -0.377 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= -0.0212 K(o=-0.021,f=-2.3!) USER MOD Single : A 214 LYS NZ :NH3+ -109:sc= -1.2! (180deg=-2.16!) USER MOD Single : A 215 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.8!) USER MOD Single : A 217 HIS : no HD1:sc= -0.0898 X(o=-0.09,f=-0.27) USER MOD Single : A 220 TYR OH : rot 180:sc= 0.108 USER MOD Single : A 223 SER OG : rot 92:sc= 0.589 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+ -177:sc= 0 (180deg=-0.0121) USER MOD ----------------------------------------------------------------- ATOM 65 N THR A 174 52.427 -12.556 -1.887 1.00 1.00 N ATOM 66 CA THR A 174 52.012 -11.359 -1.167 1.00 1.00 C ATOM 67 C THR A 174 50.942 -10.615 -1.959 1.00 1.00 C ATOM 68 O THR A 174 50.641 -10.962 -3.101 1.00 1.00 O ATOM 69 CB THR A 174 53.218 -10.429 -0.932 1.00 1.00 C ATOM 70 OG1 THR A 174 52.968 -9.620 0.195 1.00 1.00 O ATOM 71 CG2 THR A 174 53.453 -9.548 -2.159 1.00 1.00 C ATOM 0 HA THR A 174 51.602 -11.661 -0.203 1.00 1.00 H new ATOM 0 HB THR A 174 54.109 -11.033 -0.760 1.00 1.00 H new ATOM 0 HG1 THR A 174 53.734 -9.028 0.349 1.00 1.00 H new ATOM 0 HG21 THR A 174 54.308 -8.896 -1.980 1.00 1.00 H new ATOM 0 HG22 THR A 174 53.652 -10.178 -3.026 1.00 1.00 H new ATOM 0 HG23 THR A 174 52.567 -8.942 -2.347 1.00 1.00 H new ATOM 79 N LEU A 175 50.402 -9.554 -1.363 1.00 1.00 N ATOM 80 CA LEU A 175 49.384 -8.742 -2.028 1.00 1.00 C ATOM 81 C LEU A 175 49.921 -7.342 -2.293 1.00 1.00 C ATOM 82 O LEU A 175 50.796 -6.855 -1.575 1.00 1.00 O ATOM 83 CB LEU A 175 48.128 -8.655 -1.156 1.00 1.00 C ATOM 84 CG LEU A 175 47.892 -9.991 -0.458 1.00 1.00 C ATOM 85 CD1 LEU A 175 46.730 -9.859 0.525 1.00 1.00 C ATOM 86 CD2 LEU A 175 47.570 -11.061 -1.503 1.00 1.00 C ATOM 0 H LEU A 175 50.650 -9.237 -0.426 1.00 1.00 H new ATOM 0 HA LEU A 175 49.128 -9.212 -2.978 1.00 1.00 H new ATOM 0 HB2 LEU A 175 48.242 -7.863 -0.416 1.00 1.00 H new ATOM 0 HB3 LEU A 175 47.265 -8.397 -1.770 1.00 1.00 H new ATOM 0 HG LEU A 175 48.790 -10.280 0.089 1.00 1.00 H new ATOM 0 HD11 LEU A 175 46.564 -10.815 1.022 1.00 1.00 H new ATOM 0 HD12 LEU A 175 46.968 -9.099 1.270 1.00 1.00 H new ATOM 0 HD13 LEU A 175 45.828 -9.569 -0.014 1.00 1.00 H new ATOM 0 HD21 LEU A 175 47.401 -12.016 -1.006 1.00 1.00 H new ATOM 0 HD22 LEU A 175 46.673 -10.775 -2.053 1.00 1.00 H new ATOM 0 HD23 LEU A 175 48.406 -11.156 -2.196 1.00 1.00 H new ATOM 98 N VAL A 176 49.389 -6.692 -3.323 1.00 1.00 N ATOM 99 CA VAL A 176 49.822 -5.337 -3.679 1.00 1.00 C ATOM 100 C VAL A 176 48.633 -4.398 -3.705 1.00 1.00 C ATOM 101 O VAL A 176 47.497 -4.844 -3.775 1.00 1.00 O ATOM 102 CB VAL A 176 50.492 -5.344 -5.049 1.00 1.00 C ATOM 103 CG1 VAL A 176 51.792 -6.144 -4.973 1.00 1.00 C ATOM 104 CG2 VAL A 176 49.560 -5.988 -6.075 1.00 1.00 C ATOM 0 H VAL A 176 48.661 -7.075 -3.926 1.00 1.00 H new ATOM 0 HA VAL A 176 50.535 -4.993 -2.930 1.00 1.00 H new ATOM 0 HB VAL A 176 50.708 -4.319 -5.351 1.00 1.00 H new ATOM 0 HG11 VAL A 176 52.273 -6.151 -5.951 1.00 1.00 H new ATOM 0 HG12 VAL A 176 52.459 -5.685 -4.244 1.00 1.00 H new ATOM 0 HG13 VAL A 176 51.572 -7.168 -4.670 1.00 1.00 H new ATOM 0 HG21 VAL A 176 50.042 -5.991 -7.053 1.00 1.00 H new ATOM 0 HG22 VAL A 176 49.341 -7.013 -5.775 1.00 1.00 H new ATOM 0 HG23 VAL A 176 48.631 -5.420 -6.130 1.00 1.00 H new ATOM 114 N ILE A 177 48.900 -3.097 -3.625 1.00 1.00 N ATOM 115 CA ILE A 177 47.831 -2.097 -3.622 1.00 1.00 C ATOM 116 C ILE A 177 48.057 -1.086 -4.740 1.00 1.00 C ATOM 117 O ILE A 177 49.150 -0.546 -4.888 1.00 1.00 O ATOM 118 CB ILE A 177 47.804 -1.373 -2.275 1.00 1.00 C ATOM 119 CG1 ILE A 177 47.689 -2.406 -1.147 1.00 1.00 C ATOM 120 CG2 ILE A 177 46.595 -0.433 -2.220 1.00 1.00 C ATOM 121 CD1 ILE A 177 47.556 -1.692 0.202 1.00 1.00 C ATOM 0 H ILE A 177 49.842 -2.710 -3.562 1.00 1.00 H new ATOM 0 HA ILE A 177 46.877 -2.599 -3.783 1.00 1.00 H new ATOM 0 HB ILE A 177 48.721 -0.795 -2.157 1.00 1.00 H new ATOM 0 HG12 ILE A 177 46.824 -3.047 -1.316 1.00 1.00 H new ATOM 0 HG13 ILE A 177 48.568 -3.051 -1.142 1.00 1.00 H new ATOM 0 HG21 ILE A 177 46.578 0.082 -1.259 1.00 1.00 H new ATOM 0 HG22 ILE A 177 46.667 0.300 -3.023 1.00 1.00 H new ATOM 0 HG23 ILE A 177 45.679 -1.011 -2.338 1.00 1.00 H new ATOM 0 HD11 ILE A 177 47.475 -2.432 0.999 1.00 1.00 H new ATOM 0 HD12 ILE A 177 48.435 -1.070 0.373 1.00 1.00 H new ATOM 0 HD13 ILE A 177 46.664 -1.066 0.196 1.00 1.00 H new ATOM 133 N ALA A 178 47.006 -0.824 -5.511 1.00 1.00 N ATOM 134 CA ALA A 178 47.095 0.132 -6.608 1.00 1.00 C ATOM 135 C ALA A 178 46.972 1.565 -6.092 1.00 1.00 C ATOM 136 O ALA A 178 45.923 1.963 -5.584 1.00 1.00 O ATOM 137 CB ALA A 178 45.986 -0.148 -7.631 1.00 1.00 C ATOM 0 H ALA A 178 46.089 -1.257 -5.397 1.00 1.00 H new ATOM 0 HA ALA A 178 48.069 0.020 -7.085 1.00 1.00 H new ATOM 0 HB1 ALA A 178 46.056 0.569 -8.449 1.00 1.00 H new ATOM 0 HB2 ALA A 178 46.100 -1.159 -8.023 1.00 1.00 H new ATOM 0 HB3 ALA A 178 45.013 -0.053 -7.148 1.00 1.00 H new ATOM 143 N LEU A 179 48.042 2.333 -6.238 1.00 1.00 N ATOM 144 CA LEU A 179 48.039 3.721 -5.797 1.00 1.00 C ATOM 145 C LEU A 179 47.034 4.534 -6.598 1.00 1.00 C ATOM 146 O LEU A 179 46.323 5.374 -6.047 1.00 1.00 O ATOM 147 CB LEU A 179 49.434 4.324 -5.960 1.00 1.00 C ATOM 148 CG LEU A 179 50.400 3.645 -4.983 1.00 1.00 C ATOM 149 CD1 LEU A 179 51.835 4.054 -5.319 1.00 1.00 C ATOM 150 CD2 LEU A 179 50.068 4.063 -3.540 1.00 1.00 C ATOM 0 H LEU A 179 48.919 2.021 -6.656 1.00 1.00 H new ATOM 0 HA LEU A 179 47.754 3.748 -4.745 1.00 1.00 H new ATOM 0 HB2 LEU A 179 49.782 4.191 -6.984 1.00 1.00 H new ATOM 0 HB3 LEU A 179 49.403 5.397 -5.771 1.00 1.00 H new ATOM 0 HG LEU A 179 50.299 2.563 -5.072 1.00 1.00 H new ATOM 0 HD11 LEU A 179 52.523 3.572 -4.625 1.00 1.00 H new ATOM 0 HD12 LEU A 179 52.072 3.746 -6.337 1.00 1.00 H new ATOM 0 HD13 LEU A 179 51.934 5.136 -5.235 1.00 1.00 H new ATOM 0 HD21 LEU A 179 50.759 3.576 -2.852 1.00 1.00 H new ATOM 0 HD22 LEU A 179 50.162 5.145 -3.444 1.00 1.00 H new ATOM 0 HD23 LEU A 179 49.047 3.765 -3.301 1.00 1.00 H new ATOM 162 N TYR A 180 46.984 4.286 -7.905 1.00 1.00 N ATOM 163 CA TYR A 180 46.063 5.008 -8.783 1.00 1.00 C ATOM 164 C TYR A 180 45.265 4.029 -9.637 1.00 1.00 C ATOM 165 O TYR A 180 45.670 2.882 -9.827 1.00 1.00 O ATOM 166 CB TYR A 180 46.843 5.959 -9.689 1.00 1.00 C ATOM 167 CG TYR A 180 47.647 6.916 -8.840 1.00 1.00 C ATOM 168 CD1 TYR A 180 47.007 7.961 -8.163 1.00 1.00 C ATOM 169 CD2 TYR A 180 49.035 6.759 -8.730 1.00 1.00 C ATOM 170 CE1 TYR A 180 47.752 8.849 -7.378 1.00 1.00 C ATOM 171 CE2 TYR A 180 49.781 7.645 -7.945 1.00 1.00 C ATOM 172 CZ TYR A 180 49.140 8.690 -7.269 1.00 1.00 C ATOM 173 OH TYR A 180 49.875 9.564 -6.494 1.00 1.00 O ATOM 0 H TYR A 180 47.566 3.595 -8.378 1.00 1.00 H new ATOM 0 HA TYR A 180 45.373 5.582 -8.164 1.00 1.00 H new ATOM 0 HB2 TYR A 180 47.505 5.393 -10.344 1.00 1.00 H new ATOM 0 HB3 TYR A 180 46.157 6.513 -10.330 1.00 1.00 H new ATOM 0 HD1 TYR A 180 45.937 8.082 -8.246 1.00 1.00 H new ATOM 0 HD2 TYR A 180 49.530 5.953 -9.252 1.00 1.00 H new ATOM 0 HE1 TYR A 180 47.258 9.656 -6.857 1.00 1.00 H new ATOM 0 HE2 TYR A 180 50.851 7.523 -7.861 1.00 1.00 H new ATOM 0 HH TYR A 180 50.822 9.312 -6.525 1.00 1.00 H new ATOM 183 N ASP A 181 44.129 4.491 -10.148 1.00 1.00 N ATOM 184 CA ASP A 181 43.279 3.646 -10.980 1.00 1.00 C ATOM 185 C ASP A 181 43.925 3.423 -12.341 1.00 1.00 C ATOM 186 O ASP A 181 43.816 4.261 -13.238 1.00 1.00 O ATOM 187 CB ASP A 181 41.912 4.307 -11.170 1.00 1.00 C ATOM 188 CG ASP A 181 41.130 4.264 -9.862 1.00 1.00 C ATOM 189 OD1 ASP A 181 41.511 3.499 -8.996 1.00 1.00 O ATOM 190 OD2 ASP A 181 40.166 5.002 -9.746 1.00 1.00 O ATOM 0 H ASP A 181 43.777 5.437 -10.003 1.00 1.00 H new ATOM 0 HA ASP A 181 43.153 2.684 -10.482 1.00 1.00 H new ATOM 0 HB2 ASP A 181 42.039 5.340 -11.494 1.00 1.00 H new ATOM 0 HB3 ASP A 181 41.355 3.793 -11.954 1.00 1.00 H new ATOM 195 N TYR A 182 44.605 2.288 -12.492 1.00 1.00 N ATOM 196 CA TYR A 182 45.269 1.967 -13.752 1.00 1.00 C ATOM 197 C TYR A 182 44.392 1.055 -14.597 1.00 1.00 C ATOM 198 O TYR A 182 44.361 -0.158 -14.389 1.00 1.00 O ATOM 199 CB TYR A 182 46.604 1.274 -13.475 1.00 1.00 C ATOM 200 CG TYR A 182 47.288 0.955 -14.782 1.00 1.00 C ATOM 201 CD1 TYR A 182 48.015 1.948 -15.450 1.00 1.00 C ATOM 202 CD2 TYR A 182 47.197 -0.331 -15.326 1.00 1.00 C ATOM 203 CE1 TYR A 182 48.650 1.654 -16.662 1.00 1.00 C ATOM 204 CE2 TYR A 182 47.831 -0.625 -16.539 1.00 1.00 C ATOM 205 CZ TYR A 182 48.558 0.367 -17.207 1.00 1.00 C ATOM 206 OH TYR A 182 49.183 0.078 -18.403 1.00 1.00 O ATOM 0 H TYR A 182 44.710 1.581 -11.764 1.00 1.00 H new ATOM 0 HA TYR A 182 45.445 2.895 -14.297 1.00 1.00 H new ATOM 0 HB2 TYR A 182 47.240 1.917 -12.867 1.00 1.00 H new ATOM 0 HB3 TYR A 182 46.439 0.359 -12.906 1.00 1.00 H new ATOM 0 HD1 TYR A 182 48.086 2.940 -15.030 1.00 1.00 H new ATOM 0 HD2 TYR A 182 46.637 -1.097 -14.810 1.00 1.00 H new ATOM 0 HE1 TYR A 182 49.211 2.420 -17.177 1.00 1.00 H new ATOM 0 HE2 TYR A 182 47.759 -1.617 -16.959 1.00 1.00 H new ATOM 0 HH TYR A 182 49.021 -0.859 -18.639 1.00 1.00 H new ATOM 319 N LEU A 190 45.707 -6.251 -16.195 1.00 1.00 N ATOM 320 CA LEU A 190 44.692 -6.409 -15.158 1.00 1.00 C ATOM 321 C LEU A 190 44.265 -5.046 -14.618 1.00 1.00 C ATOM 322 O LEU A 190 45.070 -4.318 -14.040 1.00 1.00 O ATOM 323 CB LEU A 190 45.246 -7.262 -14.015 1.00 1.00 C ATOM 324 CG LEU A 190 44.119 -7.605 -13.038 1.00 1.00 C ATOM 325 CD1 LEU A 190 43.099 -8.533 -13.721 1.00 1.00 C ATOM 326 CD2 LEU A 190 44.705 -8.309 -11.814 1.00 1.00 C ATOM 0 HA LEU A 190 43.824 -6.904 -15.594 1.00 1.00 H new ATOM 0 HB2 LEU A 190 45.688 -8.176 -14.411 1.00 1.00 H new ATOM 0 HB3 LEU A 190 46.039 -6.723 -13.497 1.00 1.00 H new ATOM 0 HG LEU A 190 43.619 -6.687 -12.730 1.00 1.00 H new ATOM 0 HD11 LEU A 190 42.299 -8.773 -13.020 1.00 1.00 H new ATOM 0 HD12 LEU A 190 42.679 -8.032 -14.593 1.00 1.00 H new ATOM 0 HD13 LEU A 190 43.595 -9.452 -14.034 1.00 1.00 H new ATOM 0 HD21 LEU A 190 43.904 -8.554 -11.117 1.00 1.00 H new ATOM 0 HD22 LEU A 190 45.207 -9.225 -12.127 1.00 1.00 H new ATOM 0 HD23 LEU A 190 45.423 -7.651 -11.325 1.00 1.00 H new ATOM 338 N ALA A 191 42.988 -4.714 -14.804 1.00 1.00 N ATOM 339 CA ALA A 191 42.466 -3.436 -14.330 1.00 1.00 C ATOM 340 C ALA A 191 42.684 -3.304 -12.830 1.00 1.00 C ATOM 341 O ALA A 191 42.387 -4.222 -12.066 1.00 1.00 O ATOM 342 CB ALA A 191 40.973 -3.338 -14.638 1.00 1.00 C ATOM 0 H ALA A 191 42.303 -5.306 -15.274 1.00 1.00 H new ATOM 0 HA ALA A 191 42.995 -2.631 -14.840 1.00 1.00 H new ATOM 0 HB1 ALA A 191 40.590 -2.382 -14.282 1.00 1.00 H new ATOM 0 HB2 ALA A 191 40.818 -3.413 -15.714 1.00 1.00 H new ATOM 0 HB3 ALA A 191 40.444 -4.150 -14.138 1.00 1.00 H new ATOM 348 N LEU A 192 43.224 -2.160 -12.413 1.00 1.00 N ATOM 349 CA LEU A 192 43.506 -1.923 -10.998 1.00 1.00 C ATOM 350 C LEU A 192 42.638 -0.800 -10.461 1.00 1.00 C ATOM 351 O LEU A 192 42.235 0.095 -11.203 1.00 1.00 O ATOM 352 CB LEU A 192 44.976 -1.545 -10.824 1.00 1.00 C ATOM 353 CG LEU A 192 45.854 -2.510 -11.622 1.00 1.00 C ATOM 354 CD1 LEU A 192 47.330 -2.139 -11.432 1.00 1.00 C ATOM 355 CD2 LEU A 192 45.621 -3.948 -11.133 1.00 1.00 C ATOM 0 H LEU A 192 43.474 -1.387 -13.030 1.00 1.00 H new ATOM 0 HA LEU A 192 43.288 -2.836 -10.445 1.00 1.00 H new ATOM 0 HB2 LEU A 192 45.141 -0.522 -11.163 1.00 1.00 H new ATOM 0 HB3 LEU A 192 45.248 -1.579 -9.769 1.00 1.00 H new ATOM 0 HG LEU A 192 45.595 -2.441 -12.678 1.00 1.00 H new ATOM 0 HD11 LEU A 192 47.954 -2.828 -12.001 1.00 1.00 H new ATOM 0 HD12 LEU A 192 47.498 -1.121 -11.784 1.00 1.00 H new ATOM 0 HD13 LEU A 192 47.588 -2.204 -10.375 1.00 1.00 H new ATOM 0 HD21 LEU A 192 46.248 -4.633 -11.704 1.00 1.00 H new ATOM 0 HD22 LEU A 192 45.876 -4.019 -10.076 1.00 1.00 H new ATOM 0 HD23 LEU A 192 44.573 -4.214 -11.272 1.00 1.00 H new ATOM 367 N ARG A 193 42.344 -0.854 -9.166 1.00 1.00 N ATOM 368 CA ARG A 193 41.508 0.164 -8.525 1.00 1.00 C ATOM 369 C ARG A 193 42.247 0.779 -7.340 1.00 1.00 C ATOM 370 O ARG A 193 43.005 0.102 -6.651 1.00 1.00 O ATOM 371 CB ARG A 193 40.176 -0.452 -8.057 1.00 1.00 C ATOM 372 CG ARG A 193 40.012 -1.840 -8.661 1.00 1.00 C ATOM 373 CD ARG A 193 38.590 -2.336 -8.432 1.00 1.00 C ATOM 374 NE ARG A 193 38.332 -2.486 -7.007 1.00 1.00 N ATOM 375 CZ ARG A 193 37.132 -2.838 -6.560 1.00 1.00 C ATOM 376 NH1 ARG A 193 36.160 -3.054 -7.404 1.00 1.00 N ATOM 377 NH2 ARG A 193 36.924 -2.966 -5.279 1.00 1.00 N ATOM 0 H ARG A 193 42.670 -1.589 -8.538 1.00 1.00 H new ATOM 0 HA ARG A 193 41.293 0.947 -9.252 1.00 1.00 H new ATOM 0 HB2 ARG A 193 40.155 -0.514 -6.969 1.00 1.00 H new ATOM 0 HB3 ARG A 193 39.344 0.186 -8.356 1.00 1.00 H new ATOM 0 HG2 ARG A 193 40.229 -1.810 -9.729 1.00 1.00 H new ATOM 0 HG3 ARG A 193 40.725 -2.530 -8.210 1.00 1.00 H new ATOM 0 HD2 ARG A 193 37.878 -1.634 -8.866 1.00 1.00 H new ATOM 0 HD3 ARG A 193 38.444 -3.291 -8.938 1.00 1.00 H new ATOM 0 HE ARG A 193 39.086 -2.318 -6.341 1.00 1.00 H new ATOM 0 HH11 ARG A 193 36.322 -2.952 -8.406 1.00 1.00 H new ATOM 0 HH12 ARG A 193 35.238 -3.324 -7.062 1.00 1.00 H new ATOM 0 HH21 ARG A 193 37.683 -2.796 -4.620 1.00 1.00 H new ATOM 0 HH22 ARG A 193 36.002 -3.236 -4.937 1.00 1.00 H new ATOM 391 N CYS A 194 42.015 2.062 -7.111 1.00 1.00 N ATOM 392 CA CYS A 194 42.667 2.756 -6.012 1.00 1.00 C ATOM 393 C CYS A 194 42.216 2.202 -4.673 1.00 1.00 C ATOM 394 O CYS A 194 41.021 2.035 -4.438 1.00 1.00 O ATOM 395 CB CYS A 194 42.329 4.249 -6.064 1.00 1.00 C ATOM 396 SG CYS A 194 43.458 5.162 -4.983 1.00 1.00 S ATOM 0 H CYS A 194 41.385 2.640 -7.667 1.00 1.00 H new ATOM 0 HA CYS A 194 43.742 2.609 -6.115 1.00 1.00 H new ATOM 0 HB2 CYS A 194 42.412 4.616 -7.087 1.00 1.00 H new ATOM 0 HB3 CYS A 194 41.298 4.410 -5.750 1.00 1.00 H new ATOM 0 HG CYS A 194 44.667 5.086 -5.455 1.00 1.00 H new ATOM 402 N ASP A 195 43.184 1.896 -3.808 1.00 1.00 N ATOM 403 CA ASP A 195 42.886 1.351 -2.484 1.00 1.00 C ATOM 404 C ASP A 195 42.683 -0.159 -2.551 1.00 1.00 C ATOM 405 O ASP A 195 42.865 -0.859 -1.554 1.00 1.00 O ATOM 406 CB ASP A 195 41.618 2.017 -1.918 1.00 1.00 C ATOM 407 CG ASP A 195 41.664 2.045 -0.401 1.00 1.00 C ATOM 408 OD1 ASP A 195 42.452 1.303 0.158 1.00 1.00 O ATOM 409 OD2 ASP A 195 40.910 2.808 0.178 1.00 1.00 O ATOM 0 H ASP A 195 44.178 2.016 -4.000 1.00 1.00 H new ATOM 0 HA ASP A 195 43.733 1.559 -1.830 1.00 1.00 H new ATOM 0 HB2 ASP A 195 41.530 3.033 -2.304 1.00 1.00 H new ATOM 0 HB3 ASP A 195 40.734 1.472 -2.251 1.00 1.00 H new ATOM 414 N GLU A 196 42.301 -0.654 -3.723 1.00 1.00 N ATOM 415 CA GLU A 196 42.075 -2.078 -3.893 1.00 1.00 C ATOM 416 C GLU A 196 43.395 -2.829 -3.847 1.00 1.00 C ATOM 417 O GLU A 196 44.460 -2.248 -4.060 1.00 1.00 O ATOM 418 CB GLU A 196 41.361 -2.336 -5.232 1.00 1.00 C ATOM 419 CG GLU A 196 41.289 -3.839 -5.504 1.00 1.00 C ATOM 420 CD GLU A 196 40.620 -4.549 -4.329 1.00 1.00 C ATOM 421 OE1 GLU A 196 39.761 -3.943 -3.708 1.00 1.00 O ATOM 422 OE2 GLU A 196 40.978 -5.683 -4.063 1.00 1.00 O ATOM 0 H GLU A 196 42.143 -0.093 -4.560 1.00 1.00 H new ATOM 0 HA GLU A 196 41.444 -2.437 -3.080 1.00 1.00 H new ATOM 0 HB2 GLU A 196 40.356 -1.914 -5.205 1.00 1.00 H new ATOM 0 HB3 GLU A 196 41.895 -1.837 -6.041 1.00 1.00 H new ATOM 0 HG2 GLU A 196 40.728 -4.025 -6.420 1.00 1.00 H new ATOM 0 HG3 GLU A 196 42.292 -4.238 -5.658 1.00 1.00 H new ATOM 429 N GLU A 197 43.316 -4.141 -3.609 1.00 1.00 N ATOM 430 CA GLU A 197 44.502 -4.983 -3.570 1.00 1.00 C ATOM 431 C GLU A 197 44.340 -6.190 -4.488 1.00 1.00 C ATOM 432 O GLU A 197 43.233 -6.538 -4.891 1.00 1.00 O ATOM 433 CB GLU A 197 44.763 -5.444 -2.140 1.00 1.00 C ATOM 434 CG GLU A 197 43.436 -5.793 -1.475 1.00 1.00 C ATOM 435 CD GLU A 197 43.686 -6.584 -0.196 1.00 1.00 C ATOM 436 OE1 GLU A 197 44.658 -7.320 -0.159 1.00 1.00 O ATOM 437 OE2 GLU A 197 42.903 -6.442 0.730 1.00 1.00 O ATOM 0 H GLU A 197 42.441 -4.638 -3.441 1.00 1.00 H new ATOM 0 HA GLU A 197 45.353 -4.399 -3.920 1.00 1.00 H new ATOM 0 HB2 GLU A 197 45.423 -6.312 -2.140 1.00 1.00 H new ATOM 0 HB3 GLU A 197 45.269 -4.659 -1.579 1.00 1.00 H new ATOM 0 HG2 GLU A 197 42.883 -4.882 -1.247 1.00 1.00 H new ATOM 0 HG3 GLU A 197 42.820 -6.377 -2.159 1.00 1.00 H new ATOM 444 N TYR A 198 45.458 -6.834 -4.803 1.00 1.00 N ATOM 445 CA TYR A 198 45.436 -8.011 -5.676 1.00 1.00 C ATOM 446 C TYR A 198 46.407 -9.072 -5.170 1.00 1.00 C ATOM 447 O TYR A 198 47.175 -8.837 -4.240 1.00 1.00 O ATOM 448 CB TYR A 198 45.832 -7.603 -7.094 1.00 1.00 C ATOM 449 CG TYR A 198 44.765 -6.706 -7.674 1.00 1.00 C ATOM 450 CD1 TYR A 198 44.675 -5.372 -7.264 1.00 1.00 C ATOM 451 CD2 TYR A 198 43.871 -7.208 -8.625 1.00 1.00 C ATOM 452 CE1 TYR A 198 43.688 -4.539 -7.804 1.00 1.00 C ATOM 453 CE2 TYR A 198 42.883 -6.373 -9.166 1.00 1.00 C ATOM 454 CZ TYR A 198 42.792 -5.041 -8.755 1.00 1.00 C ATOM 455 OH TYR A 198 41.817 -4.223 -9.285 1.00 1.00 O ATOM 0 H TYR A 198 46.385 -6.567 -4.472 1.00 1.00 H new ATOM 0 HA TYR A 198 44.428 -8.425 -5.675 1.00 1.00 H new ATOM 0 HB2 TYR A 198 46.791 -7.085 -7.081 1.00 1.00 H new ATOM 0 HB3 TYR A 198 45.957 -8.488 -7.718 1.00 1.00 H new ATOM 0 HD1 TYR A 198 45.367 -4.984 -6.531 1.00 1.00 H new ATOM 0 HD2 TYR A 198 43.942 -8.238 -8.942 1.00 1.00 H new ATOM 0 HE1 TYR A 198 43.618 -3.509 -7.487 1.00 1.00 H new ATOM 0 HE2 TYR A 198 42.192 -6.760 -9.901 1.00 1.00 H new ATOM 0 HH TYR A 198 41.844 -4.273 -10.263 1.00 1.00 H new ATOM 465 N TYR A 199 46.366 -10.242 -5.788 1.00 1.00 N ATOM 466 CA TYR A 199 47.254 -11.337 -5.407 1.00 1.00 C ATOM 467 C TYR A 199 48.506 -11.332 -6.268 1.00 1.00 C ATOM 468 O TYR A 199 48.425 -11.379 -7.490 1.00 1.00 O ATOM 469 CB TYR A 199 46.529 -12.689 -5.567 1.00 1.00 C ATOM 470 CG TYR A 199 46.099 -13.201 -4.213 1.00 1.00 C ATOM 471 CD1 TYR A 199 47.060 -13.731 -3.341 1.00 1.00 C ATOM 472 CD2 TYR A 199 44.761 -13.140 -3.834 1.00 1.00 C ATOM 473 CE1 TYR A 199 46.678 -14.202 -2.084 1.00 1.00 C ATOM 474 CE2 TYR A 199 44.371 -13.609 -2.575 1.00 1.00 C ATOM 475 CZ TYR A 199 45.329 -14.143 -1.697 1.00 1.00 C ATOM 476 OH TYR A 199 44.947 -14.605 -0.456 1.00 1.00 O ATOM 0 H TYR A 199 45.730 -10.461 -6.555 1.00 1.00 H new ATOM 0 HA TYR A 199 47.539 -11.199 -4.364 1.00 1.00 H new ATOM 0 HB2 TYR A 199 45.660 -12.572 -6.215 1.00 1.00 H new ATOM 0 HB3 TYR A 199 47.189 -13.412 -6.047 1.00 1.00 H new ATOM 0 HD1 TYR A 199 48.096 -13.775 -3.642 1.00 1.00 H new ATOM 0 HD2 TYR A 199 44.025 -12.731 -4.511 1.00 1.00 H new ATOM 0 HE1 TYR A 199 47.417 -14.611 -1.411 1.00 1.00 H new ATOM 0 HE2 TYR A 199 43.334 -13.561 -2.278 1.00 1.00 H new ATOM 0 HH TYR A 199 43.980 -14.490 -0.348 1.00 1.00 H new ATOM 486 N LEU A 200 49.664 -11.278 -5.620 1.00 1.00 N ATOM 487 CA LEU A 200 50.923 -11.265 -6.343 1.00 1.00 C ATOM 488 C LEU A 200 51.342 -12.676 -6.723 1.00 1.00 C ATOM 489 O LEU A 200 51.443 -13.554 -5.870 1.00 1.00 O ATOM 490 CB LEU A 200 52.019 -10.631 -5.475 1.00 1.00 C ATOM 491 CG LEU A 200 53.211 -10.209 -6.353 1.00 1.00 C ATOM 492 CD1 LEU A 200 52.770 -9.109 -7.328 1.00 1.00 C ATOM 493 CD2 LEU A 200 54.332 -9.677 -5.458 1.00 1.00 C ATOM 0 H LEU A 200 49.754 -11.243 -4.605 1.00 1.00 H new ATOM 0 HA LEU A 200 50.786 -10.679 -7.252 1.00 1.00 H new ATOM 0 HB2 LEU A 200 51.620 -9.764 -4.948 1.00 1.00 H new ATOM 0 HB3 LEU A 200 52.349 -11.341 -4.717 1.00 1.00 H new ATOM 0 HG LEU A 200 53.569 -11.069 -6.919 1.00 1.00 H new ATOM 0 HD11 LEU A 200 53.616 -8.812 -7.948 1.00 1.00 H new ATOM 0 HD12 LEU A 200 51.969 -9.486 -7.963 1.00 1.00 H new ATOM 0 HD13 LEU A 200 52.412 -8.247 -6.766 1.00 1.00 H new ATOM 0 HD21 LEU A 200 55.179 -9.377 -6.075 1.00 1.00 H new ATOM 0 HD22 LEU A 200 53.970 -8.817 -4.895 1.00 1.00 H new ATOM 0 HD23 LEU A 200 54.646 -10.458 -4.766 1.00 1.00 H new ATOM 505 N LEU A 201 51.598 -12.885 -8.012 1.00 1.00 N ATOM 506 CA LEU A 201 52.014 -14.199 -8.504 1.00 1.00 C ATOM 507 C LEU A 201 53.492 -14.203 -8.848 1.00 1.00 C ATOM 508 O LEU A 201 54.286 -14.883 -8.200 1.00 1.00 O ATOM 509 CB LEU A 201 51.200 -14.577 -9.741 1.00 1.00 C ATOM 510 CG LEU A 201 49.723 -14.802 -9.344 1.00 1.00 C ATOM 511 CD1 LEU A 201 48.946 -13.486 -9.481 1.00 1.00 C ATOM 512 CD2 LEU A 201 49.104 -15.861 -10.258 1.00 1.00 C ATOM 0 H LEU A 201 51.526 -12.167 -8.733 1.00 1.00 H new ATOM 0 HA LEU A 201 51.837 -14.930 -7.715 1.00 1.00 H new ATOM 0 HB2 LEU A 201 51.269 -13.787 -10.489 1.00 1.00 H new ATOM 0 HB3 LEU A 201 51.607 -15.481 -10.194 1.00 1.00 H new ATOM 0 HG LEU A 201 49.674 -15.143 -8.310 1.00 1.00 H new ATOM 0 HD11 LEU A 201 47.905 -13.647 -9.201 1.00 1.00 H new ATOM 0 HD12 LEU A 201 49.386 -12.734 -8.826 1.00 1.00 H new ATOM 0 HD13 LEU A 201 48.994 -13.141 -10.514 1.00 1.00 H new ATOM 0 HD21 LEU A 201 48.063 -16.020 -9.978 1.00 1.00 H new ATOM 0 HD22 LEU A 201 49.154 -15.523 -11.293 1.00 1.00 H new ATOM 0 HD23 LEU A 201 49.654 -16.797 -10.155 1.00 1.00 H new ATOM 524 N ASP A 202 53.858 -13.434 -9.866 1.00 1.00 N ATOM 525 CA ASP A 202 55.256 -13.349 -10.289 1.00 1.00 C ATOM 526 C ASP A 202 55.917 -12.121 -9.683 1.00 1.00 C ATOM 527 O ASP A 202 55.818 -11.020 -10.224 1.00 1.00 O ATOM 528 CB ASP A 202 55.338 -13.276 -11.812 1.00 1.00 C ATOM 529 CG ASP A 202 56.782 -13.459 -12.265 1.00 1.00 C ATOM 530 OD1 ASP A 202 57.556 -14.006 -11.498 1.00 1.00 O ATOM 531 OD2 ASP A 202 57.093 -13.045 -13.369 1.00 1.00 O ATOM 0 H ASP A 202 53.214 -12.863 -10.413 1.00 1.00 H new ATOM 0 HA ASP A 202 55.778 -14.241 -9.943 1.00 1.00 H new ATOM 0 HB2 ASP A 202 54.708 -14.047 -12.256 1.00 1.00 H new ATOM 0 HB3 ASP A 202 54.958 -12.315 -12.159 1.00 1.00 H new ATOM 536 N SER A 203 56.590 -12.312 -8.551 1.00 1.00 N ATOM 537 CA SER A 203 57.261 -11.206 -7.870 1.00 1.00 C ATOM 538 C SER A 203 58.758 -11.225 -8.163 1.00 1.00 C ATOM 539 O SER A 203 59.538 -10.541 -7.502 1.00 1.00 O ATOM 540 CB SER A 203 57.035 -11.307 -6.370 1.00 1.00 C ATOM 541 OG SER A 203 57.931 -12.257 -5.810 1.00 1.00 O ATOM 0 H SER A 203 56.685 -13.216 -8.088 1.00 1.00 H new ATOM 0 HA SER A 203 56.842 -10.270 -8.239 1.00 1.00 H new ATOM 0 HB2 SER A 203 57.186 -10.333 -5.904 1.00 1.00 H new ATOM 0 HB3 SER A 203 56.005 -11.601 -6.167 1.00 1.00 H new ATOM 0 HG SER A 203 57.782 -12.317 -4.843 1.00 1.00 H new ATOM 609 N TRP A 208 57.679 -7.866 -15.542 1.00 1.00 N ATOM 610 CA TRP A 208 56.399 -7.315 -15.111 1.00 1.00 C ATOM 611 C TRP A 208 55.831 -8.112 -13.944 1.00 1.00 C ATOM 612 O TRP A 208 56.057 -9.316 -13.829 1.00 1.00 O ATOM 613 CB TRP A 208 55.404 -7.350 -16.276 1.00 1.00 C ATOM 614 CG TRP A 208 55.755 -6.290 -17.269 1.00 1.00 C ATOM 615 CD1 TRP A 208 56.567 -6.461 -18.333 1.00 1.00 C ATOM 616 CD2 TRP A 208 55.316 -4.901 -17.303 1.00 1.00 C ATOM 617 NE1 TRP A 208 56.661 -5.266 -19.019 1.00 1.00 N ATOM 618 CE2 TRP A 208 55.905 -4.272 -18.425 1.00 1.00 C ATOM 619 CE3 TRP A 208 54.474 -4.133 -16.479 1.00 1.00 C ATOM 620 CZ2 TRP A 208 55.669 -2.928 -18.719 1.00 1.00 C ATOM 621 CZ3 TRP A 208 54.233 -2.781 -16.771 1.00 1.00 C ATOM 622 CH2 TRP A 208 54.828 -2.180 -17.888 1.00 1.00 C ATOM 0 HA TRP A 208 56.560 -6.286 -14.789 1.00 1.00 H new ATOM 0 HB2 TRP A 208 55.422 -8.330 -16.753 1.00 1.00 H new ATOM 0 HB3 TRP A 208 54.390 -7.194 -15.906 1.00 1.00 H new ATOM 0 HD1 TRP A 208 57.062 -7.382 -18.604 1.00 1.00 H new ATOM 0 HE1 TRP A 208 57.220 -5.133 -19.862 1.00 1.00 H new ATOM 0 HE3 TRP A 208 54.010 -4.586 -15.616 1.00 1.00 H new ATOM 0 HZ2 TRP A 208 56.132 -2.470 -19.581 1.00 1.00 H new ATOM 0 HZ3 TRP A 208 53.585 -2.201 -16.131 1.00 1.00 H new ATOM 0 HH2 TRP A 208 54.638 -1.140 -18.107 1.00 1.00 H new ATOM 633 N TRP A 209 55.090 -7.433 -13.079 1.00 1.00 N ATOM 634 CA TRP A 209 54.485 -8.095 -11.924 1.00 1.00 C ATOM 635 C TRP A 209 53.119 -8.642 -12.282 1.00 1.00 C ATOM 636 O TRP A 209 52.210 -7.898 -12.628 1.00 1.00 O ATOM 637 CB TRP A 209 54.359 -7.087 -10.756 1.00 1.00 C ATOM 638 CG TRP A 209 55.539 -7.200 -9.838 1.00 1.00 C ATOM 639 CD1 TRP A 209 56.744 -7.732 -10.166 1.00 1.00 C ATOM 640 CD2 TRP A 209 55.645 -6.790 -8.448 1.00 1.00 C ATOM 641 NE1 TRP A 209 57.563 -7.692 -9.070 1.00 1.00 N ATOM 642 CE2 TRP A 209 56.942 -7.111 -7.986 1.00 1.00 C ATOM 643 CE3 TRP A 209 54.752 -6.181 -7.550 1.00 1.00 C ATOM 644 CZ2 TRP A 209 57.341 -6.836 -6.684 1.00 1.00 C ATOM 645 CZ3 TRP A 209 55.148 -5.900 -6.236 1.00 1.00 C ATOM 646 CH2 TRP A 209 56.442 -6.228 -5.805 1.00 1.00 C ATOM 0 H TRP A 209 54.893 -6.435 -13.150 1.00 1.00 H new ATOM 0 HA TRP A 209 55.122 -8.926 -11.620 1.00 1.00 H new ATOM 0 HB2 TRP A 209 54.292 -6.072 -11.149 1.00 1.00 H new ATOM 0 HB3 TRP A 209 53.440 -7.276 -10.202 1.00 1.00 H new ATOM 0 HD1 TRP A 209 57.013 -8.124 -11.136 1.00 1.00 H new ATOM 0 HE1 TRP A 209 58.518 -8.049 -9.057 1.00 1.00 H new ATOM 0 HE3 TRP A 209 53.754 -5.928 -7.875 1.00 1.00 H new ATOM 0 HZ2 TRP A 209 58.338 -7.090 -6.354 1.00 1.00 H new ATOM 0 HZ3 TRP A 209 54.456 -5.430 -5.553 1.00 1.00 H new ATOM 0 HH2 TRP A 209 56.744 -6.010 -4.791 1.00 1.00 H new ATOM 657 N ARG A 210 52.986 -9.962 -12.171 1.00 1.00 N ATOM 658 CA ARG A 210 51.719 -10.615 -12.467 1.00 1.00 C ATOM 659 C ARG A 210 50.818 -10.594 -11.245 1.00 1.00 C ATOM 660 O ARG A 210 51.220 -11.011 -10.158 1.00 1.00 O ATOM 661 CB ARG A 210 51.953 -12.061 -12.899 1.00 1.00 C ATOM 662 CG ARG A 210 52.557 -12.081 -14.303 1.00 1.00 C ATOM 663 CD ARG A 210 52.722 -13.530 -14.764 1.00 1.00 C ATOM 664 NE ARG A 210 53.310 -13.570 -16.100 1.00 1.00 N ATOM 665 CZ ARG A 210 54.629 -13.581 -16.271 1.00 1.00 C ATOM 666 NH1 ARG A 210 55.421 -13.554 -15.233 1.00 1.00 N ATOM 667 NH2 ARG A 210 55.132 -13.614 -17.473 1.00 1.00 N ATOM 0 H ARG A 210 53.733 -10.593 -11.881 1.00 1.00 H new ATOM 0 HA ARG A 210 51.237 -10.072 -13.280 1.00 1.00 H new ATOM 0 HB2 ARG A 210 52.622 -12.558 -12.196 1.00 1.00 H new ATOM 0 HB3 ARG A 210 51.013 -12.612 -12.888 1.00 1.00 H new ATOM 0 HG2 ARG A 210 51.913 -11.538 -14.996 1.00 1.00 H new ATOM 0 HG3 ARG A 210 53.523 -11.576 -14.303 1.00 1.00 H new ATOM 0 HD2 ARG A 210 53.357 -14.072 -14.063 1.00 1.00 H new ATOM 0 HD3 ARG A 210 51.753 -14.030 -14.770 1.00 1.00 H new ATOM 0 HE ARG A 210 52.699 -13.590 -16.916 1.00 1.00 H new ATOM 0 HH11 ARG A 210 55.028 -13.525 -14.292 1.00 1.00 H new ATOM 0 HH12 ARG A 210 56.433 -13.562 -15.363 1.00 1.00 H new ATOM 0 HH21 ARG A 210 54.514 -13.631 -18.284 1.00 1.00 H new ATOM 0 HH22 ARG A 210 56.144 -13.622 -17.602 1.00 1.00 H new ATOM 681 N VAL A 211 49.595 -10.097 -11.423 1.00 1.00 N ATOM 682 CA VAL A 211 48.642 -10.018 -10.317 1.00 1.00 C ATOM 683 C VAL A 211 47.352 -10.737 -10.680 1.00 1.00 C ATOM 684 O VAL A 211 47.079 -10.975 -11.856 1.00 1.00 O ATOM 685 CB VAL A 211 48.336 -8.553 -9.994 1.00 1.00 C ATOM 686 CG1 VAL A 211 49.473 -7.965 -9.159 1.00 1.00 C ATOM 687 CG2 VAL A 211 48.194 -7.763 -11.293 1.00 1.00 C ATOM 0 H VAL A 211 49.243 -9.746 -12.314 1.00 1.00 H new ATOM 0 HA VAL A 211 49.084 -10.497 -9.443 1.00 1.00 H new ATOM 0 HB VAL A 211 47.405 -8.493 -9.430 1.00 1.00 H new ATOM 0 HG11 VAL A 211 49.254 -6.922 -8.930 1.00 1.00 H new ATOM 0 HG12 VAL A 211 49.571 -8.528 -8.231 1.00 1.00 H new ATOM 0 HG13 VAL A 211 50.405 -8.025 -9.720 1.00 1.00 H new ATOM 0 HG21 VAL A 211 47.976 -6.720 -11.063 1.00 1.00 H new ATOM 0 HG22 VAL A 211 49.124 -7.823 -11.859 1.00 1.00 H new ATOM 0 HG23 VAL A 211 47.381 -8.181 -11.886 1.00 1.00 H new ATOM 697 N GLN A 212 46.558 -11.084 -9.668 1.00 1.00 N ATOM 698 CA GLN A 212 45.292 -11.778 -9.894 1.00 1.00 C ATOM 699 C GLN A 212 44.198 -11.179 -9.021 1.00 1.00 C ATOM 700 O GLN A 212 44.377 -10.998 -7.816 1.00 1.00 O ATOM 701 CB GLN A 212 45.452 -13.265 -9.577 1.00 1.00 C ATOM 702 CG GLN A 212 44.106 -13.970 -9.750 1.00 1.00 C ATOM 703 CD GLN A 212 44.297 -15.481 -9.676 1.00 1.00 C ATOM 704 OE1 GLN A 212 45.419 -15.973 -9.791 1.00 1.00 O ATOM 705 NE2 GLN A 212 43.260 -16.252 -9.493 1.00 1.00 N ATOM 0 H GLN A 212 46.768 -10.897 -8.688 1.00 1.00 H new ATOM 0 HA GLN A 212 45.010 -11.661 -10.940 1.00 1.00 H new ATOM 0 HB2 GLN A 212 46.196 -13.711 -10.237 1.00 1.00 H new ATOM 0 HB3 GLN A 212 45.814 -13.394 -8.557 1.00 1.00 H new ATOM 0 HG2 GLN A 212 43.413 -13.644 -8.974 1.00 1.00 H new ATOM 0 HG3 GLN A 212 43.664 -13.697 -10.708 1.00 1.00 H new ATOM 0 HE21 GLN A 212 42.331 -15.843 -9.398 1.00 1.00 H new ATOM 0 HE22 GLN A 212 43.379 -17.264 -9.445 1.00 1.00 H new ATOM 714 N ASP A 213 43.055 -10.883 -9.633 1.00 1.00 N ATOM 715 CA ASP A 213 41.930 -10.310 -8.899 1.00 1.00 C ATOM 716 C ASP A 213 41.089 -11.416 -8.266 1.00 1.00 C ATOM 717 O ASP A 213 41.190 -12.581 -8.640 1.00 1.00 O ATOM 718 CB ASP A 213 41.053 -9.488 -9.847 1.00 1.00 C ATOM 719 CG ASP A 213 40.158 -8.546 -9.048 1.00 1.00 C ATOM 720 OD1 ASP A 213 40.161 -8.649 -7.835 1.00 1.00 O ATOM 721 OD2 ASP A 213 39.488 -7.734 -9.662 1.00 1.00 O ATOM 0 H ASP A 213 42.883 -11.029 -10.628 1.00 1.00 H new ATOM 0 HA ASP A 213 42.323 -9.665 -8.113 1.00 1.00 H new ATOM 0 HB2 ASP A 213 41.680 -8.915 -10.530 1.00 1.00 H new ATOM 0 HB3 ASP A 213 40.442 -10.153 -10.458 1.00 1.00 H new ATOM 726 N LYS A 214 40.267 -11.036 -7.304 1.00 1.00 N ATOM 727 CA LYS A 214 39.410 -11.997 -6.612 1.00 1.00 C ATOM 728 C LYS A 214 38.348 -12.539 -7.560 1.00 1.00 C ATOM 729 O LYS A 214 37.640 -13.492 -7.235 1.00 1.00 O ATOM 730 CB LYS A 214 38.732 -11.328 -5.411 1.00 1.00 C ATOM 731 CG LYS A 214 39.734 -10.418 -4.690 1.00 1.00 C ATOM 732 CD LYS A 214 40.918 -11.248 -4.190 1.00 1.00 C ATOM 733 CE LYS A 214 41.848 -10.363 -3.366 1.00 1.00 C ATOM 734 NZ LYS A 214 42.973 -11.183 -2.841 1.00 1.00 N ATOM 0 H LYS A 214 40.171 -10.073 -6.981 1.00 1.00 H new ATOM 0 HA LYS A 214 40.029 -12.823 -6.262 1.00 1.00 H new ATOM 0 HB2 LYS A 214 37.873 -10.746 -5.744 1.00 1.00 H new ATOM 0 HB3 LYS A 214 38.356 -12.087 -4.724 1.00 1.00 H new ATOM 0 HG2 LYS A 214 40.084 -9.638 -5.367 1.00 1.00 H new ATOM 0 HG3 LYS A 214 39.248 -9.918 -3.852 1.00 1.00 H new ATOM 0 HD2 LYS A 214 40.562 -12.082 -3.585 1.00 1.00 H new ATOM 0 HD3 LYS A 214 41.459 -11.675 -5.035 1.00 1.00 H new ATOM 0 HE2 LYS A 214 42.233 -9.549 -3.981 1.00 1.00 H new ATOM 0 HE3 LYS A 214 41.299 -9.908 -2.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 214 42.863 -11.306 -1.814 1.00 1.00 H new ATOM 0 HZ2 LYS A 214 42.969 -12.114 -3.304 1.00 1.00 H new ATOM 0 HZ3 LYS A 214 43.874 -10.702 -3.038 1.00 1.00 H new ATOM 748 N ASN A 215 38.225 -11.911 -8.726 1.00 1.00 N ATOM 749 CA ASN A 215 37.227 -12.327 -9.708 1.00 1.00 C ATOM 750 C ASN A 215 37.808 -13.365 -10.655 1.00 1.00 C ATOM 751 O ASN A 215 37.111 -13.878 -11.531 1.00 1.00 O ATOM 752 CB ASN A 215 36.743 -11.114 -10.505 1.00 1.00 C ATOM 753 CG ASN A 215 35.922 -10.194 -9.607 1.00 1.00 C ATOM 754 OD1 ASN A 215 35.465 -10.608 -8.542 1.00 1.00 O ATOM 755 ND2 ASN A 215 35.703 -8.961 -9.978 1.00 1.00 N ATOM 0 H ASN A 215 38.799 -11.118 -9.013 1.00 1.00 H new ATOM 0 HA ASN A 215 36.385 -12.771 -9.178 1.00 1.00 H new ATOM 0 HB2 ASN A 215 37.596 -10.572 -10.912 1.00 1.00 H new ATOM 0 HB3 ASN A 215 36.140 -11.442 -11.352 1.00 1.00 H new ATOM 0 HD21 ASN A 215 35.153 -8.340 -9.385 1.00 1.00 H new ATOM 0 HD22 ASN A 215 36.082 -8.619 -10.861 1.00 1.00 H new ATOM 762 N GLY A 216 39.090 -13.671 -10.479 1.00 1.00 N ATOM 763 CA GLY A 216 39.754 -14.654 -11.328 1.00 1.00 C ATOM 764 C GLY A 216 40.377 -13.991 -12.547 1.00 1.00 C ATOM 765 O GLY A 216 40.613 -14.643 -13.565 1.00 1.00 O ATOM 0 H GLY A 216 39.686 -13.256 -9.762 1.00 1.00 H new ATOM 0 HA2 GLY A 216 40.525 -15.171 -10.757 1.00 1.00 H new ATOM 0 HA3 GLY A 216 39.035 -15.408 -11.648 1.00 1.00 H new ATOM 769 N HIS A 217 40.639 -12.691 -12.446 1.00 1.00 N ATOM 770 CA HIS A 217 41.238 -11.946 -13.554 1.00 1.00 C ATOM 771 C HIS A 217 42.715 -11.704 -13.286 1.00 1.00 C ATOM 772 O HIS A 217 43.097 -11.289 -12.197 1.00 1.00 O ATOM 773 CB HIS A 217 40.525 -10.608 -13.733 1.00 1.00 C ATOM 774 CG HIS A 217 39.115 -10.850 -14.192 1.00 1.00 C ATOM 775 ND1 HIS A 217 38.809 -11.772 -15.181 1.00 1.00 N ATOM 776 CD2 HIS A 217 37.918 -10.295 -13.814 1.00 1.00 C ATOM 777 CE1 HIS A 217 37.477 -11.746 -15.362 1.00 1.00 C ATOM 778 NE2 HIS A 217 36.885 -10.862 -14.554 1.00 1.00 N ATOM 0 H HIS A 217 40.448 -12.132 -11.614 1.00 1.00 H new ATOM 0 HA HIS A 217 41.132 -12.534 -14.466 1.00 1.00 H new ATOM 0 HB2 HIS A 217 40.523 -10.056 -12.793 1.00 1.00 H new ATOM 0 HB3 HIS A 217 41.056 -9.995 -14.462 1.00 1.00 H new ATOM 0 HD2 HIS A 217 37.796 -9.534 -13.057 1.00 1.00 H new ATOM 0 HE1 HIS A 217 36.950 -12.364 -16.074 1.00 1.00 H new ATOM 0 HE2 HIS A 217 35.889 -10.649 -14.493 1.00 1.00 H new ATOM 786 N GLU A 218 43.547 -11.994 -14.281 1.00 1.00 N ATOM 787 CA GLU A 218 44.993 -11.826 -14.141 1.00 1.00 C ATOM 788 C GLU A 218 45.550 -10.961 -15.262 1.00 1.00 C ATOM 789 O GLU A 218 44.986 -10.904 -16.352 1.00 1.00 O ATOM 790 CB GLU A 218 45.675 -13.199 -14.159 1.00 1.00 C ATOM 791 CG GLU A 218 45.113 -14.035 -15.310 1.00 1.00 C ATOM 792 CD GLU A 218 45.845 -15.371 -15.392 1.00 1.00 C ATOM 793 OE1 GLU A 218 46.827 -15.531 -14.686 1.00 1.00 O ATOM 794 OE2 GLU A 218 45.413 -16.214 -16.161 1.00 1.00 O ATOM 0 H GLU A 218 43.248 -12.345 -15.191 1.00 1.00 H new ATOM 0 HA GLU A 218 45.193 -11.329 -13.192 1.00 1.00 H new ATOM 0 HB2 GLU A 218 46.752 -13.080 -14.275 1.00 1.00 H new ATOM 0 HB3 GLU A 218 45.511 -13.710 -13.211 1.00 1.00 H new ATOM 0 HG2 GLU A 218 44.047 -14.204 -15.160 1.00 1.00 H new ATOM 0 HG3 GLU A 218 45.221 -13.494 -16.250 1.00 1.00 H new ATOM 801 N GLY A 219 46.671 -10.302 -14.990 1.00 1.00 N ATOM 802 CA GLY A 219 47.306 -9.455 -15.992 1.00 1.00 C ATOM 803 C GLY A 219 48.468 -8.679 -15.384 1.00 1.00 C ATOM 804 O GLY A 219 48.565 -8.541 -14.162 1.00 1.00 O ATOM 0 H GLY A 219 47.155 -10.337 -14.093 1.00 1.00 H new ATOM 0 HA2 GLY A 219 47.665 -10.068 -16.819 1.00 1.00 H new ATOM 0 HA3 GLY A 219 46.574 -8.760 -16.404 1.00 1.00 H new ATOM 808 N TYR A 220 49.356 -8.180 -16.241 1.00 1.00 N ATOM 809 CA TYR A 220 50.512 -7.427 -15.774 1.00 1.00 C ATOM 810 C TYR A 220 50.079 -6.114 -15.150 1.00 1.00 C ATOM 811 O TYR A 220 49.170 -5.447 -15.648 1.00 1.00 O ATOM 812 CB TYR A 220 51.456 -7.144 -16.947 1.00 1.00 C ATOM 813 CG TYR A 220 51.993 -8.450 -17.488 1.00 1.00 C ATOM 814 CD1 TYR A 220 52.783 -9.275 -16.677 1.00 1.00 C ATOM 815 CD2 TYR A 220 51.704 -8.836 -18.803 1.00 1.00 C ATOM 816 CE1 TYR A 220 53.278 -10.480 -17.178 1.00 1.00 C ATOM 817 CE2 TYR A 220 52.201 -10.043 -19.304 1.00 1.00 C ATOM 818 CZ TYR A 220 52.988 -10.866 -18.492 1.00 1.00 C ATOM 819 OH TYR A 220 53.478 -12.058 -18.984 1.00 1.00 O ATOM 0 H TYR A 220 49.296 -8.283 -17.254 1.00 1.00 H new ATOM 0 HA TYR A 220 51.029 -8.022 -15.021 1.00 1.00 H new ATOM 0 HB2 TYR A 220 50.927 -6.603 -17.732 1.00 1.00 H new ATOM 0 HB3 TYR A 220 52.278 -6.508 -16.620 1.00 1.00 H new ATOM 0 HD1 TYR A 220 53.009 -8.978 -15.663 1.00 1.00 H new ATOM 0 HD2 TYR A 220 51.097 -8.201 -19.431 1.00 1.00 H new ATOM 0 HE1 TYR A 220 53.886 -11.116 -16.551 1.00 1.00 H new ATOM 0 HE2 TYR A 220 51.977 -10.340 -20.318 1.00 1.00 H new ATOM 0 HH TYR A 220 53.183 -12.175 -19.911 1.00 1.00 H new ATOM 829 N ALA A 221 50.731 -5.744 -14.048 1.00 1.00 N ATOM 830 CA ALA A 221 50.401 -4.506 -13.358 1.00 1.00 C ATOM 831 C ALA A 221 51.678 -3.754 -12.958 1.00 1.00 C ATOM 832 O ALA A 221 52.504 -4.286 -12.211 1.00 1.00 O ATOM 833 CB ALA A 221 49.567 -4.789 -12.116 1.00 1.00 C ATOM 0 H ALA A 221 51.484 -6.282 -13.620 1.00 1.00 H new ATOM 0 HA ALA A 221 49.821 -3.886 -14.041 1.00 1.00 H new ATOM 0 HB1 ALA A 221 49.331 -3.850 -11.615 1.00 1.00 H new ATOM 0 HB2 ALA A 221 48.642 -5.289 -12.405 1.00 1.00 H new ATOM 0 HB3 ALA A 221 50.130 -5.431 -11.438 1.00 1.00 H new ATOM 839 N PRO A 222 51.855 -2.548 -13.437 1.00 1.00 N ATOM 840 CA PRO A 222 53.058 -1.731 -13.119 1.00 1.00 C ATOM 841 C PRO A 222 53.404 -1.775 -11.632 1.00 1.00 C ATOM 842 O PRO A 222 52.652 -1.278 -10.800 1.00 1.00 O ATOM 843 CB PRO A 222 52.642 -0.314 -13.544 1.00 1.00 C ATOM 844 CG PRO A 222 51.608 -0.500 -14.610 1.00 1.00 C ATOM 845 CD PRO A 222 50.931 -1.833 -14.333 1.00 1.00 C ATOM 0 HA PRO A 222 53.952 -2.092 -13.626 1.00 1.00 H new ATOM 0 HB2 PRO A 222 52.239 0.246 -12.700 1.00 1.00 H new ATOM 0 HB3 PRO A 222 53.496 0.249 -13.921 1.00 1.00 H new ATOM 0 HG2 PRO A 222 50.883 0.314 -14.592 1.00 1.00 H new ATOM 0 HG3 PRO A 222 52.066 -0.497 -15.599 1.00 1.00 H new ATOM 0 HD2 PRO A 222 49.957 -1.692 -13.865 1.00 1.00 H new ATOM 0 HD3 PRO A 222 50.764 -2.390 -15.255 1.00 1.00 H new ATOM 853 N SER A 223 54.551 -2.362 -11.319 1.00 1.00 N ATOM 854 CA SER A 223 55.004 -2.460 -9.936 1.00 1.00 C ATOM 855 C SER A 223 55.276 -1.079 -9.353 1.00 1.00 C ATOM 856 O SER A 223 55.413 -0.920 -8.141 1.00 1.00 O ATOM 857 CB SER A 223 56.273 -3.301 -9.859 1.00 1.00 C ATOM 858 OG SER A 223 56.602 -3.528 -8.493 1.00 1.00 O ATOM 0 H SER A 223 55.185 -2.777 -12.002 1.00 1.00 H new ATOM 0 HA SER A 223 54.214 -2.936 -9.355 1.00 1.00 H new ATOM 0 HB2 SER A 223 56.126 -4.251 -10.373 1.00 1.00 H new ATOM 0 HB3 SER A 223 57.093 -2.790 -10.363 1.00 1.00 H new ATOM 0 HG SER A 223 56.191 -4.365 -8.192 1.00 1.00 H new ATOM 864 N SER A 224 55.341 -0.081 -10.225 1.00 1.00 N ATOM 865 CA SER A 224 55.592 1.287 -9.791 1.00 1.00 C ATOM 866 C SER A 224 54.328 1.949 -9.252 1.00 1.00 C ATOM 867 O SER A 224 54.367 2.656 -8.243 1.00 1.00 O ATOM 868 CB SER A 224 56.135 2.111 -10.953 1.00 1.00 C ATOM 869 OG SER A 224 57.467 1.709 -11.234 1.00 1.00 O ATOM 0 H SER A 224 55.224 -0.192 -11.232 1.00 1.00 H new ATOM 0 HA SER A 224 56.326 1.246 -8.986 1.00 1.00 H new ATOM 0 HB2 SER A 224 55.508 1.974 -11.834 1.00 1.00 H new ATOM 0 HB3 SER A 224 56.108 3.172 -10.705 1.00 1.00 H new ATOM 0 HG SER A 224 57.817 2.237 -11.982 1.00 1.00 H new ATOM 875 N TYR A 225 53.212 1.724 -9.935 1.00 1.00 N ATOM 876 CA TYR A 225 51.946 2.326 -9.532 1.00 1.00 C ATOM 877 C TYR A 225 51.286 1.525 -8.421 1.00 1.00 C ATOM 878 O TYR A 225 50.076 1.610 -8.215 1.00 1.00 O ATOM 879 CB TYR A 225 51.004 2.408 -10.736 1.00 1.00 C ATOM 880 CG TYR A 225 51.520 3.441 -11.712 1.00 1.00 C ATOM 881 CD1 TYR A 225 52.696 3.198 -12.433 1.00 1.00 C ATOM 882 CD2 TYR A 225 50.821 4.641 -11.900 1.00 1.00 C ATOM 883 CE1 TYR A 225 53.174 4.154 -13.339 1.00 1.00 C ATOM 884 CE2 TYR A 225 51.297 5.595 -12.806 1.00 1.00 C ATOM 885 CZ TYR A 225 52.474 5.354 -13.525 1.00 1.00 C ATOM 886 OH TYR A 225 52.943 6.294 -14.417 1.00 1.00 O ATOM 0 H TYR A 225 53.157 1.133 -10.765 1.00 1.00 H new ATOM 0 HA TYR A 225 52.151 3.328 -9.156 1.00 1.00 H new ATOM 0 HB2 TYR A 225 50.934 1.435 -11.223 1.00 1.00 H new ATOM 0 HB3 TYR A 225 49.999 2.673 -10.407 1.00 1.00 H new ATOM 0 HD1 TYR A 225 53.235 2.273 -12.290 1.00 1.00 H new ATOM 0 HD2 TYR A 225 49.914 4.830 -11.345 1.00 1.00 H new ATOM 0 HE1 TYR A 225 54.081 3.966 -13.894 1.00 1.00 H new ATOM 0 HE2 TYR A 225 50.756 6.518 -12.951 1.00 1.00 H new ATOM 0 HH TYR A 225 52.340 7.066 -14.426 1.00 1.00 H new ATOM 896 N LEU A 226 52.091 0.759 -7.698 1.00 1.00 N ATOM 897 CA LEU A 226 51.583 -0.039 -6.591 1.00 1.00 C ATOM 898 C LEU A 226 52.682 -0.297 -5.568 1.00 1.00 C ATOM 899 O LEU A 226 53.853 -0.005 -5.814 1.00 1.00 O ATOM 900 CB LEU A 226 51.018 -1.355 -7.107 1.00 1.00 C ATOM 901 CG LEU A 226 52.109 -2.112 -7.882 1.00 1.00 C ATOM 902 CD1 LEU A 226 53.096 -2.782 -6.905 1.00 1.00 C ATOM 903 CD2 LEU A 226 51.451 -3.172 -8.772 1.00 1.00 C ATOM 0 H LEU A 226 53.095 0.673 -7.857 1.00 1.00 H new ATOM 0 HA LEU A 226 50.783 0.517 -6.102 1.00 1.00 H new ATOM 0 HB2 LEU A 226 50.661 -1.961 -6.274 1.00 1.00 H new ATOM 0 HB3 LEU A 226 50.161 -1.167 -7.754 1.00 1.00 H new ATOM 0 HG LEU A 226 52.664 -1.407 -8.501 1.00 1.00 H new ATOM 0 HD11 LEU A 226 53.862 -3.314 -7.469 1.00 1.00 H new ATOM 0 HD12 LEU A 226 53.566 -2.020 -6.283 1.00 1.00 H new ATOM 0 HD13 LEU A 226 52.558 -3.486 -6.271 1.00 1.00 H new ATOM 0 HD21 LEU A 226 52.220 -3.712 -9.324 1.00 1.00 H new ATOM 0 HD22 LEU A 226 50.891 -3.872 -8.151 1.00 1.00 H new ATOM 0 HD23 LEU A 226 50.773 -2.687 -9.474 1.00 1.00 H new ATOM 915 N VAL A 227 52.306 -0.862 -4.426 1.00 1.00 N ATOM 916 CA VAL A 227 53.274 -1.173 -3.373 1.00 1.00 C ATOM 917 C VAL A 227 52.987 -2.541 -2.765 1.00 1.00 C ATOM 918 O VAL A 227 51.873 -3.053 -2.858 1.00 1.00 O ATOM 919 CB VAL A 227 53.219 -0.104 -2.285 1.00 1.00 C ATOM 920 CG1 VAL A 227 53.743 1.219 -2.844 1.00 1.00 C ATOM 921 CG2 VAL A 227 51.771 0.077 -1.826 1.00 1.00 C ATOM 0 H VAL A 227 51.343 -1.114 -4.203 1.00 1.00 H new ATOM 0 HA VAL A 227 54.270 -1.190 -3.814 1.00 1.00 H new ATOM 0 HB VAL A 227 53.835 -0.411 -1.440 1.00 1.00 H new ATOM 0 HG11 VAL A 227 53.704 1.983 -2.068 1.00 1.00 H new ATOM 0 HG12 VAL A 227 54.773 1.091 -3.176 1.00 1.00 H new ATOM 0 HG13 VAL A 227 53.126 1.527 -3.688 1.00 1.00 H new ATOM 0 HG21 VAL A 227 51.728 0.840 -1.049 1.00 1.00 H new ATOM 0 HG22 VAL A 227 51.157 0.386 -2.672 1.00 1.00 H new ATOM 0 HG23 VAL A 227 51.394 -0.866 -1.430 1.00 1.00 H new ATOM 931 N GLU A 228 54.003 -3.128 -2.145 1.00 1.00 N ATOM 932 CA GLU A 228 53.851 -4.439 -1.521 1.00 1.00 C ATOM 933 C GLU A 228 52.973 -4.345 -0.284 1.00 1.00 C ATOM 934 O GLU A 228 52.799 -3.269 0.287 1.00 1.00 O ATOM 935 CB GLU A 228 55.222 -4.999 -1.131 1.00 1.00 C ATOM 936 CG GLU A 228 55.985 -5.403 -2.389 1.00 1.00 C ATOM 937 CD GLU A 228 57.396 -5.854 -2.023 1.00 1.00 C ATOM 938 OE1 GLU A 228 57.697 -5.887 -0.842 1.00 1.00 O ATOM 939 OE2 GLU A 228 58.154 -6.160 -2.928 1.00 1.00 O ATOM 0 H GLU A 228 54.935 -2.722 -2.060 1.00 1.00 H new ATOM 0 HA GLU A 228 53.377 -5.106 -2.241 1.00 1.00 H new ATOM 0 HB2 GLU A 228 55.787 -4.251 -0.575 1.00 1.00 H new ATOM 0 HB3 GLU A 228 55.101 -5.860 -0.474 1.00 1.00 H new ATOM 0 HG2 GLU A 228 55.458 -6.209 -2.900 1.00 1.00 H new ATOM 0 HG3 GLU A 228 56.031 -4.563 -3.081 1.00 1.00 H new ATOM 946 N LYS A 229 52.417 -5.482 0.130 1.00 1.00 N ATOM 947 CA LYS A 229 51.556 -5.520 1.311 1.00 1.00 C ATOM 948 C LYS A 229 51.969 -6.659 2.235 1.00 1.00 C ATOM 949 O LYS A 229 51.287 -6.950 3.219 1.00 1.00 O ATOM 950 CB LYS A 229 50.093 -5.706 0.888 1.00 1.00 C ATOM 951 CG LYS A 229 49.167 -5.194 1.994 1.00 1.00 C ATOM 952 CD LYS A 229 47.721 -5.257 1.516 1.00 1.00 C ATOM 953 CE LYS A 229 46.794 -4.799 2.644 1.00 1.00 C ATOM 954 NZ LYS A 229 45.380 -4.851 2.178 1.00 1.00 N ATOM 0 H LYS A 229 52.546 -6.383 -0.331 1.00 1.00 H new ATOM 0 HA LYS A 229 51.661 -4.576 1.845 1.00 1.00 H new ATOM 0 HB2 LYS A 229 49.901 -5.166 -0.039 1.00 1.00 H new ATOM 0 HB3 LYS A 229 49.892 -6.759 0.691 1.00 1.00 H new ATOM 0 HG2 LYS A 229 49.290 -5.796 2.894 1.00 1.00 H new ATOM 0 HG3 LYS A 229 49.430 -4.170 2.258 1.00 1.00 H new ATOM 0 HD2 LYS A 229 47.588 -4.622 0.640 1.00 1.00 H new ATOM 0 HD3 LYS A 229 47.470 -6.274 1.214 1.00 1.00 H new ATOM 0 HE2 LYS A 229 46.924 -5.438 3.518 1.00 1.00 H new ATOM 0 HE3 LYS A 229 47.050 -3.785 2.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 229 44.754 -4.492 2.927 1.00 1.00 H new ATOM 0 HZ2 LYS A 229 45.273 -4.264 1.326 1.00 1.00 H new ATOM 0 HZ3 LYS A 229 45.124 -5.834 1.955 1.00 1.00 H new