USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 416 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 Set 1.1: A 28 THR OG1 : rot 170:sc= -2.11! USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.857 USER MOD Single : A 10 SER OG : rot 38:sc= 0.155 USER MOD Single : A 11 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0519) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0407) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 170:sc= -0.733 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -3:sc= 0.817 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 161 N SER A 10 64.359 4.126 7.862 1.00 15.00 N ATOM 162 CA SER A 10 63.539 2.897 8.112 1.00 15.00 C ATOM 163 C SER A 10 63.719 1.892 6.968 1.00 15.00 C ATOM 164 O SER A 10 64.133 2.248 5.882 1.00 15.00 O ATOM 165 CB SER A 10 62.090 3.383 8.172 1.00 15.00 C ATOM 166 OG SER A 10 61.949 4.308 9.244 1.00 15.00 O ATOM 0 HA SER A 10 63.836 2.390 9.030 1.00 15.00 H new ATOM 0 HB2 SER A 10 61.813 3.856 7.230 1.00 15.00 H new ATOM 0 HB3 SER A 10 61.416 2.538 8.314 1.00 15.00 H new ATOM 0 HG SER A 10 62.754 4.864 9.304 1.00 15.00 H new ATOM 172 N LYS A 11 63.406 0.642 7.214 1.00 15.00 N ATOM 173 CA LYS A 11 63.570 -0.409 6.157 1.00 15.00 C ATOM 174 C LYS A 11 62.328 -0.458 5.261 1.00 15.00 C ATOM 175 O LYS A 11 61.209 -0.464 5.741 1.00 15.00 O ATOM 176 CB LYS A 11 63.722 -1.728 6.923 1.00 15.00 C ATOM 177 CG LYS A 11 65.030 -1.720 7.717 1.00 15.00 C ATOM 178 CD LYS A 11 64.907 -2.657 8.921 1.00 15.00 C ATOM 179 CE LYS A 11 64.926 -4.111 8.443 1.00 15.00 C ATOM 180 NZ LYS A 11 66.370 -4.450 8.306 1.00 15.00 N ATOM 0 H LYS A 11 63.043 0.302 8.104 1.00 15.00 H new ATOM 0 HA LYS A 11 64.425 -0.209 5.511 1.00 15.00 H new ATOM 0 HB2 LYS A 11 62.877 -1.866 7.598 1.00 15.00 H new ATOM 0 HB3 LYS A 11 63.714 -2.566 6.226 1.00 15.00 H new ATOM 0 HG2 LYS A 11 65.856 -2.037 7.080 1.00 15.00 H new ATOM 0 HG3 LYS A 11 65.257 -0.708 8.053 1.00 15.00 H new ATOM 0 HD2 LYS A 11 65.727 -2.481 9.617 1.00 15.00 H new ATOM 0 HD3 LYS A 11 63.982 -2.453 9.461 1.00 15.00 H new ATOM 0 HE2 LYS A 11 64.432 -4.769 9.158 1.00 15.00 H new ATOM 0 HE3 LYS A 11 64.402 -4.222 7.494 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 66.505 -5.067 7.480 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 66.921 -3.577 8.180 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 66.694 -4.943 9.163 1.00 15.00 H new ATOM 194 N ILE A 12 62.518 -0.496 3.962 1.00 15.00 N ATOM 195 CA ILE A 12 61.350 -0.550 3.028 1.00 15.00 C ATOM 196 C ILE A 12 61.588 -1.618 1.953 1.00 15.00 C ATOM 197 O ILE A 12 62.708 -1.858 1.539 1.00 15.00 O ATOM 198 CB ILE A 12 61.258 0.851 2.397 1.00 15.00 C ATOM 199 CG1 ILE A 12 61.014 1.898 3.495 1.00 15.00 C ATOM 200 CG2 ILE A 12 60.094 0.894 1.396 1.00 15.00 C ATOM 201 CD1 ILE A 12 61.096 3.306 2.898 1.00 15.00 C ATOM 0 H ILE A 12 63.432 -0.492 3.510 1.00 15.00 H new ATOM 0 HA ILE A 12 60.426 -0.814 3.542 1.00 15.00 H new ATOM 0 HB ILE A 12 62.193 1.070 1.881 1.00 15.00 H new ATOM 0 HG12 ILE A 12 60.035 1.742 3.948 1.00 15.00 H new ATOM 0 HG13 ILE A 12 61.754 1.786 4.288 1.00 15.00 H new ATOM 0 HG21 ILE A 12 60.033 1.887 0.952 1.00 15.00 H new ATOM 0 HG22 ILE A 12 60.261 0.156 0.612 1.00 15.00 H new ATOM 0 HG23 ILE A 12 59.161 0.669 1.913 1.00 15.00 H new ATOM 0 HD11 ILE A 12 60.922 4.044 3.681 1.00 15.00 H new ATOM 0 HD12 ILE A 12 62.085 3.461 2.466 1.00 15.00 H new ATOM 0 HD13 ILE A 12 60.339 3.416 2.121 1.00 15.00 H new ATOM 213 N SER A 13 60.533 -2.254 1.508 1.00 15.00 N ATOM 214 CA SER A 13 60.645 -3.233 0.387 1.00 15.00 C ATOM 215 C SER A 13 59.856 -2.719 -0.820 1.00 15.00 C ATOM 216 O SER A 13 58.729 -2.277 -0.688 1.00 15.00 O ATOM 217 CB SER A 13 60.029 -4.524 0.922 1.00 15.00 C ATOM 218 OG SER A 13 60.188 -5.556 -0.042 1.00 15.00 O ATOM 0 H SER A 13 59.590 -2.134 1.878 1.00 15.00 H new ATOM 0 HA SER A 13 61.675 -3.385 0.063 1.00 15.00 H new ATOM 0 HB2 SER A 13 60.509 -4.808 1.858 1.00 15.00 H new ATOM 0 HB3 SER A 13 58.971 -4.373 1.139 1.00 15.00 H new ATOM 0 HG SER A 13 59.795 -6.386 0.300 1.00 15.00 H new ATOM 224 N LEU A 14 60.440 -2.775 -1.989 1.00 15.00 N ATOM 225 CA LEU A 14 59.782 -2.190 -3.196 1.00 15.00 C ATOM 226 C LEU A 14 59.678 -3.237 -4.308 1.00 15.00 C ATOM 227 O LEU A 14 60.609 -3.979 -4.557 1.00 15.00 O ATOM 228 CB LEU A 14 60.702 -1.046 -3.623 1.00 15.00 C ATOM 229 CG LEU A 14 59.927 -0.067 -4.504 1.00 15.00 C ATOM 230 CD1 LEU A 14 59.055 0.828 -3.622 1.00 15.00 C ATOM 231 CD2 LEU A 14 60.913 0.799 -5.291 1.00 15.00 C ATOM 0 H LEU A 14 61.350 -3.203 -2.160 1.00 15.00 H new ATOM 0 HA LEU A 14 58.767 -1.849 -2.990 1.00 15.00 H new ATOM 0 HB2 LEU A 14 61.091 -0.531 -2.744 1.00 15.00 H new ATOM 0 HB3 LEU A 14 61.560 -1.440 -4.167 1.00 15.00 H new ATOM 0 HG LEU A 14 59.295 -0.622 -5.198 1.00 15.00 H new ATOM 0 HD11 LEU A 14 58.501 1.527 -4.248 1.00 15.00 H new ATOM 0 HD12 LEU A 14 58.354 0.212 -3.059 1.00 15.00 H new ATOM 0 HD13 LEU A 14 59.687 1.384 -2.930 1.00 15.00 H new ATOM 0 HD21 LEU A 14 60.362 1.498 -5.920 1.00 15.00 H new ATOM 0 HD22 LEU A 14 61.543 1.355 -4.597 1.00 15.00 H new ATOM 0 HD23 LEU A 14 61.537 0.162 -5.917 1.00 15.00 H new ATOM 243 N ILE A 15 58.551 -3.298 -4.973 1.00 15.00 N ATOM 244 CA ILE A 15 58.400 -4.232 -6.131 1.00 15.00 C ATOM 245 C ILE A 15 58.346 -3.415 -7.426 1.00 15.00 C ATOM 246 O ILE A 15 57.484 -2.569 -7.595 1.00 15.00 O ATOM 247 CB ILE A 15 57.077 -4.978 -5.889 1.00 15.00 C ATOM 248 CG1 ILE A 15 57.159 -5.759 -4.570 1.00 15.00 C ATOM 249 CG2 ILE A 15 56.817 -5.961 -7.036 1.00 15.00 C ATOM 250 CD1 ILE A 15 55.768 -6.269 -4.184 1.00 15.00 C ATOM 0 H ILE A 15 57.725 -2.738 -4.762 1.00 15.00 H new ATOM 0 HA ILE A 15 59.229 -4.934 -6.221 1.00 15.00 H new ATOM 0 HB ILE A 15 56.265 -4.252 -5.838 1.00 15.00 H new ATOM 0 HG12 ILE A 15 57.848 -6.597 -4.675 1.00 15.00 H new ATOM 0 HG13 ILE A 15 57.554 -5.119 -3.781 1.00 15.00 H new ATOM 0 HG21 ILE A 15 55.879 -6.487 -6.859 1.00 15.00 H new ATOM 0 HG22 ILE A 15 56.755 -5.414 -7.977 1.00 15.00 H new ATOM 0 HG23 ILE A 15 57.632 -6.682 -7.089 1.00 15.00 H new ATOM 0 HD11 ILE A 15 55.831 -6.823 -3.247 1.00 15.00 H new ATOM 0 HD12 ILE A 15 55.092 -5.423 -4.061 1.00 15.00 H new ATOM 0 HD13 ILE A 15 55.390 -6.925 -4.969 1.00 15.00 H new ATOM 262 N SER A 16 59.259 -3.669 -8.334 1.00 15.00 N ATOM 263 CA SER A 16 59.408 -2.782 -9.531 1.00 15.00 C ATOM 264 C SER A 16 58.589 -3.312 -10.713 1.00 15.00 C ATOM 265 O SER A 16 57.992 -4.370 -10.645 1.00 15.00 O ATOM 266 CB SER A 16 60.901 -2.812 -9.861 1.00 15.00 C ATOM 267 OG SER A 16 61.598 -1.963 -8.958 1.00 15.00 O ATOM 0 H SER A 16 59.909 -4.454 -8.297 1.00 15.00 H new ATOM 0 HA SER A 16 59.047 -1.773 -9.333 1.00 15.00 H new ATOM 0 HB2 SER A 16 61.281 -3.831 -9.787 1.00 15.00 H new ATOM 0 HB3 SER A 16 61.065 -2.484 -10.887 1.00 15.00 H new ATOM 0 HG SER A 16 62.556 -1.981 -9.165 1.00 15.00 H new ATOM 273 N LYS A 17 58.564 -2.576 -11.801 1.00 15.00 N ATOM 274 CA LYS A 17 57.738 -2.984 -12.990 1.00 15.00 C ATOM 275 C LYS A 17 58.161 -4.364 -13.520 1.00 15.00 C ATOM 276 O LYS A 17 57.396 -5.031 -14.194 1.00 15.00 O ATOM 277 CB LYS A 17 58.000 -1.911 -14.051 1.00 15.00 C ATOM 278 CG LYS A 17 57.011 -2.078 -15.206 1.00 15.00 C ATOM 279 CD LYS A 17 57.330 -1.060 -16.303 1.00 15.00 C ATOM 280 CE LYS A 17 56.255 -1.125 -17.391 1.00 15.00 C ATOM 281 NZ LYS A 17 55.150 -0.260 -16.891 1.00 15.00 N ATOM 0 H LYS A 17 59.082 -1.705 -11.919 1.00 15.00 H new ATOM 0 HA LYS A 17 56.683 -3.063 -12.728 1.00 15.00 H new ATOM 0 HB2 LYS A 17 57.897 -0.919 -13.612 1.00 15.00 H new ATOM 0 HB3 LYS A 17 59.022 -1.992 -14.420 1.00 15.00 H new ATOM 0 HG2 LYS A 17 57.070 -3.090 -15.606 1.00 15.00 H new ATOM 0 HG3 LYS A 17 55.991 -1.936 -14.849 1.00 15.00 H new ATOM 0 HD2 LYS A 17 57.374 -0.056 -15.880 1.00 15.00 H new ATOM 0 HD3 LYS A 17 58.310 -1.268 -16.733 1.00 15.00 H new ATOM 0 HE2 LYS A 17 56.637 -0.765 -18.346 1.00 15.00 H new ATOM 0 HE3 LYS A 17 55.915 -2.148 -17.549 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 54.235 -0.689 -17.137 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 55.222 -0.168 -15.858 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 55.221 0.681 -17.328 1.00 15.00 H new ATOM 295 N ALA A 18 59.364 -4.798 -13.222 1.00 15.00 N ATOM 296 CA ALA A 18 59.847 -6.114 -13.752 1.00 15.00 C ATOM 297 C ALA A 18 59.512 -7.263 -12.786 1.00 15.00 C ATOM 298 O ALA A 18 60.064 -8.341 -12.892 1.00 15.00 O ATOM 299 CB ALA A 18 61.363 -5.956 -13.884 1.00 15.00 C ATOM 0 H ALA A 18 60.032 -4.298 -12.635 1.00 15.00 H new ATOM 0 HA ALA A 18 59.370 -6.362 -14.700 1.00 15.00 H new ATOM 0 HB1 ALA A 18 61.793 -6.881 -14.268 1.00 15.00 H new ATOM 0 HB2 ALA A 18 61.585 -5.140 -14.571 1.00 15.00 H new ATOM 0 HB3 ALA A 18 61.792 -5.734 -12.907 1.00 15.00 H new ATOM 305 N GLU A 19 58.613 -7.042 -11.844 1.00 15.00 N ATOM 306 CA GLU A 19 58.185 -8.130 -10.895 1.00 15.00 C ATOM 307 C GLU A 19 59.392 -8.692 -10.129 1.00 15.00 C ATOM 308 O GLU A 19 59.405 -9.845 -9.739 1.00 15.00 O ATOM 309 CB GLU A 19 57.528 -9.220 -11.756 1.00 15.00 C ATOM 310 CG GLU A 19 56.281 -8.652 -12.438 1.00 15.00 C ATOM 311 CD GLU A 19 55.578 -9.762 -13.222 1.00 15.00 C ATOM 312 OE1 GLU A 19 56.068 -10.114 -14.282 1.00 15.00 O ATOM 313 OE2 GLU A 19 54.561 -10.242 -12.749 1.00 15.00 O ATOM 0 H GLU A 19 58.154 -6.144 -11.692 1.00 15.00 H new ATOM 0 HA GLU A 19 57.490 -7.749 -10.147 1.00 15.00 H new ATOM 0 HB2 GLU A 19 58.233 -9.580 -12.505 1.00 15.00 H new ATOM 0 HB3 GLU A 19 57.258 -10.075 -11.136 1.00 15.00 H new ATOM 0 HG2 GLU A 19 55.604 -8.234 -11.693 1.00 15.00 H new ATOM 0 HG3 GLU A 19 56.559 -7.839 -13.108 1.00 15.00 H new ATOM 320 N ILE A 20 60.401 -7.881 -9.917 1.00 15.00 N ATOM 321 CA ILE A 20 61.537 -8.296 -9.036 1.00 15.00 C ATOM 322 C ILE A 20 61.422 -7.569 -7.691 1.00 15.00 C ATOM 323 O ILE A 20 60.919 -6.461 -7.622 1.00 15.00 O ATOM 324 CB ILE A 20 62.815 -7.875 -9.780 1.00 15.00 C ATOM 325 CG1 ILE A 20 62.890 -8.597 -11.132 1.00 15.00 C ATOM 326 CG2 ILE A 20 64.046 -8.250 -8.948 1.00 15.00 C ATOM 327 CD1 ILE A 20 63.981 -7.959 -11.995 1.00 15.00 C ATOM 0 H ILE A 20 60.486 -6.947 -10.318 1.00 15.00 H new ATOM 0 HA ILE A 20 61.540 -9.367 -8.832 1.00 15.00 H new ATOM 0 HB ILE A 20 62.792 -6.797 -9.939 1.00 15.00 H new ATOM 0 HG12 ILE A 20 63.105 -9.655 -10.979 1.00 15.00 H new ATOM 0 HG13 ILE A 20 61.928 -8.538 -11.641 1.00 15.00 H new ATOM 0 HG21 ILE A 20 64.949 -7.950 -9.479 1.00 15.00 H new ATOM 0 HG22 ILE A 20 64.004 -7.739 -7.986 1.00 15.00 H new ATOM 0 HG23 ILE A 20 64.061 -9.328 -8.786 1.00 15.00 H new ATOM 0 HD11 ILE A 20 64.033 -8.473 -12.955 1.00 15.00 H new ATOM 0 HD12 ILE A 20 63.747 -6.907 -12.159 1.00 15.00 H new ATOM 0 HD13 ILE A 20 64.942 -8.042 -11.487 1.00 15.00 H new ATOM 339 N ARG A 21 61.884 -8.186 -6.629 1.00 15.00 N ATOM 340 CA ARG A 21 61.740 -7.571 -5.275 1.00 15.00 C ATOM 341 C ARG A 21 63.087 -7.033 -4.781 1.00 15.00 C ATOM 342 O ARG A 21 64.053 -7.768 -4.657 1.00 15.00 O ATOM 343 CB ARG A 21 61.252 -8.708 -4.376 1.00 15.00 C ATOM 344 CG ARG A 21 60.629 -8.126 -3.107 1.00 15.00 C ATOM 345 CD ARG A 21 59.850 -9.220 -2.370 1.00 15.00 C ATOM 346 NE ARG A 21 60.891 -10.136 -1.803 1.00 15.00 N ATOM 347 CZ ARG A 21 60.585 -11.352 -1.389 1.00 15.00 C ATOM 348 NH1 ARG A 21 59.357 -11.812 -1.448 1.00 15.00 N ATOM 349 NH2 ARG A 21 61.528 -12.114 -0.906 1.00 15.00 N ATOM 0 H ARG A 21 62.355 -9.091 -6.644 1.00 15.00 H new ATOM 0 HA ARG A 21 61.051 -6.727 -5.279 1.00 15.00 H new ATOM 0 HB2 ARG A 21 60.520 -9.316 -4.907 1.00 15.00 H new ATOM 0 HB3 ARG A 21 62.084 -9.363 -4.118 1.00 15.00 H new ATOM 0 HG2 ARG A 21 61.407 -7.721 -2.460 1.00 15.00 H new ATOM 0 HG3 ARG A 21 59.964 -7.300 -3.361 1.00 15.00 H new ATOM 0 HD2 ARG A 21 59.228 -8.796 -1.582 1.00 15.00 H new ATOM 0 HD3 ARG A 21 59.185 -9.754 -3.049 1.00 15.00 H new ATOM 0 HE ARG A 21 61.856 -9.814 -1.735 1.00 15.00 H new ATOM 0 HH11 ARG A 21 58.610 -11.226 -1.821 1.00 15.00 H new ATOM 0 HH12 ARG A 21 59.150 -12.756 -1.121 1.00 15.00 H new ATOM 0 HH21 ARG A 21 62.486 -11.768 -0.852 1.00 15.00 H new ATOM 0 HH22 ARG A 21 61.307 -13.056 -0.582 1.00 15.00 H new ATOM 363 N TYR A 22 63.151 -5.755 -4.499 1.00 15.00 N ATOM 364 CA TYR A 22 64.401 -5.155 -3.941 1.00 15.00 C ATOM 365 C TYR A 22 64.161 -4.705 -2.498 1.00 15.00 C ATOM 366 O TYR A 22 63.103 -4.203 -2.172 1.00 15.00 O ATOM 367 CB TYR A 22 64.688 -3.935 -4.819 1.00 15.00 C ATOM 368 CG TYR A 22 65.072 -4.271 -6.240 1.00 15.00 C ATOM 369 CD1 TYR A 22 66.438 -4.316 -6.611 1.00 15.00 C ATOM 370 CD2 TYR A 22 64.067 -4.531 -7.205 1.00 15.00 C ATOM 371 CE1 TYR A 22 66.799 -4.620 -7.946 1.00 15.00 C ATOM 372 CE2 TYR A 22 64.428 -4.835 -8.539 1.00 15.00 C ATOM 373 CZ TYR A 22 65.793 -4.879 -8.911 1.00 15.00 C ATOM 374 OH TYR A 22 66.145 -5.175 -10.212 1.00 15.00 O ATOM 0 H TYR A 22 62.383 -5.097 -4.633 1.00 15.00 H new ATOM 0 HA TYR A 22 65.229 -5.864 -3.937 1.00 15.00 H new ATOM 0 HB2 TYR A 22 63.804 -3.297 -4.835 1.00 15.00 H new ATOM 0 HB3 TYR A 22 65.492 -3.356 -4.365 1.00 15.00 H new ATOM 0 HD1 TYR A 22 67.204 -4.119 -5.876 1.00 15.00 H new ATOM 0 HD2 TYR A 22 63.025 -4.497 -6.922 1.00 15.00 H new ATOM 0 HE1 TYR A 22 67.841 -4.655 -8.229 1.00 15.00 H new ATOM 0 HE2 TYR A 22 63.662 -5.034 -9.274 1.00 15.00 H new ATOM 0 HH TYR A 22 65.336 -5.327 -10.743 1.00 15.00 H new ATOM 384 N GLU A 23 65.131 -4.880 -1.636 1.00 15.00 N ATOM 385 CA GLU A 23 65.018 -4.324 -0.251 1.00 15.00 C ATOM 386 C GLU A 23 66.162 -3.342 0.007 1.00 15.00 C ATOM 387 O GLU A 23 67.285 -3.570 -0.400 1.00 15.00 O ATOM 388 CB GLU A 23 65.129 -5.536 0.675 1.00 15.00 C ATOM 389 CG GLU A 23 64.829 -5.112 2.115 1.00 15.00 C ATOM 390 CD GLU A 23 65.104 -6.281 3.062 1.00 15.00 C ATOM 391 OE1 GLU A 23 66.136 -6.914 2.907 1.00 15.00 O ATOM 392 OE2 GLU A 23 64.278 -6.526 3.926 1.00 15.00 O ATOM 0 H GLU A 23 65.996 -5.384 -1.831 1.00 15.00 H new ATOM 0 HA GLU A 23 64.086 -3.781 -0.094 1.00 15.00 H new ATOM 0 HB2 GLU A 23 64.431 -6.312 0.361 1.00 15.00 H new ATOM 0 HB3 GLU A 23 66.130 -5.964 0.612 1.00 15.00 H new ATOM 0 HG2 GLU A 23 65.446 -4.256 2.389 1.00 15.00 H new ATOM 0 HG3 GLU A 23 63.789 -4.797 2.203 1.00 15.00 H new ATOM 399 N GLY A 24 65.879 -2.258 0.683 1.00 15.00 N ATOM 400 CA GLY A 24 66.941 -1.254 0.991 1.00 15.00 C ATOM 401 C GLY A 24 66.440 -0.329 2.100 1.00 15.00 C ATOM 402 O GLY A 24 65.341 -0.492 2.595 1.00 15.00 O ATOM 0 H GLY A 24 64.951 -2.024 1.037 1.00 15.00 H new ATOM 0 HA2 GLY A 24 67.856 -1.757 1.304 1.00 15.00 H new ATOM 0 HA3 GLY A 24 67.184 -0.676 0.099 1.00 15.00 H new ATOM 406 N ILE A 25 67.232 0.640 2.496 1.00 15.00 N ATOM 407 CA ILE A 25 66.779 1.581 3.571 1.00 15.00 C ATOM 408 C ILE A 25 66.505 2.962 2.968 1.00 15.00 C ATOM 409 O ILE A 25 67.202 3.406 2.075 1.00 15.00 O ATOM 410 CB ILE A 25 67.929 1.659 4.591 1.00 15.00 C ATOM 411 CG1 ILE A 25 68.405 0.245 4.996 1.00 15.00 C ATOM 412 CG2 ILE A 25 67.443 2.408 5.838 1.00 15.00 C ATOM 413 CD1 ILE A 25 67.243 -0.574 5.577 1.00 15.00 C ATOM 0 H ILE A 25 68.165 0.819 2.125 1.00 15.00 H new ATOM 0 HA ILE A 25 65.859 1.238 4.045 1.00 15.00 H new ATOM 0 HB ILE A 25 68.766 2.187 4.134 1.00 15.00 H new ATOM 0 HG12 ILE A 25 68.819 -0.267 4.127 1.00 15.00 H new ATOM 0 HG13 ILE A 25 69.205 0.322 5.732 1.00 15.00 H new ATOM 0 HG21 ILE A 25 68.253 2.467 6.565 1.00 15.00 H new ATOM 0 HG22 ILE A 25 67.131 3.415 5.559 1.00 15.00 H new ATOM 0 HG23 ILE A 25 66.599 1.875 6.277 1.00 15.00 H new ATOM 0 HD11 ILE A 25 67.600 -1.566 5.855 1.00 15.00 H new ATOM 0 HD12 ILE A 25 66.848 -0.070 6.459 1.00 15.00 H new ATOM 0 HD13 ILE A 25 66.455 -0.669 4.830 1.00 15.00 H new ATOM 425 N LEU A 26 65.493 3.637 3.454 1.00 15.00 N ATOM 426 CA LEU A 26 65.132 4.979 2.891 1.00 15.00 C ATOM 427 C LEU A 26 66.245 5.989 3.177 1.00 15.00 C ATOM 428 O LEU A 26 66.437 6.400 4.305 1.00 15.00 O ATOM 429 CB LEU A 26 63.846 5.387 3.614 1.00 15.00 C ATOM 430 CG LEU A 26 63.166 6.526 2.853 1.00 15.00 C ATOM 431 CD1 LEU A 26 62.458 5.969 1.616 1.00 15.00 C ATOM 432 CD2 LEU A 26 62.141 7.202 3.766 1.00 15.00 C ATOM 0 H LEU A 26 64.898 3.317 4.219 1.00 15.00 H new ATOM 0 HA LEU A 26 64.998 4.946 1.810 1.00 15.00 H new ATOM 0 HB2 LEU A 26 63.172 4.533 3.688 1.00 15.00 H new ATOM 0 HB3 LEU A 26 64.074 5.702 4.632 1.00 15.00 H new ATOM 0 HG LEU A 26 63.916 7.253 2.541 1.00 15.00 H new ATOM 0 HD11 LEU A 26 61.975 6.783 1.076 1.00 15.00 H new ATOM 0 HD12 LEU A 26 63.187 5.485 0.966 1.00 15.00 H new ATOM 0 HD13 LEU A 26 61.707 5.241 1.923 1.00 15.00 H new ATOM 0 HD21 LEU A 26 61.654 8.015 3.227 1.00 15.00 H new ATOM 0 HD22 LEU A 26 61.393 6.472 4.076 1.00 15.00 H new ATOM 0 HD23 LEU A 26 62.645 7.601 4.646 1.00 15.00 H new ATOM 444 N TYR A 27 66.974 6.388 2.163 1.00 15.00 N ATOM 445 CA TYR A 27 68.113 7.332 2.376 1.00 15.00 C ATOM 446 C TYR A 27 67.644 8.780 2.212 1.00 15.00 C ATOM 447 O TYR A 27 67.870 9.612 3.072 1.00 15.00 O ATOM 448 CB TYR A 27 69.136 6.974 1.297 1.00 15.00 C ATOM 449 CG TYR A 27 70.426 7.752 1.413 1.00 15.00 C ATOM 450 CD1 TYR A 27 71.237 7.608 2.566 1.00 15.00 C ATOM 451 CD2 TYR A 27 70.824 8.625 0.372 1.00 15.00 C ATOM 452 CE1 TYR A 27 72.445 8.338 2.678 1.00 15.00 C ATOM 453 CE2 TYR A 27 72.033 9.356 0.485 1.00 15.00 C ATOM 454 CZ TYR A 27 72.843 9.212 1.638 1.00 15.00 C ATOM 455 OH TYR A 27 74.020 9.923 1.746 1.00 15.00 O ATOM 0 H TYR A 27 66.828 6.099 1.196 1.00 15.00 H new ATOM 0 HA TYR A 27 68.532 7.248 3.379 1.00 15.00 H new ATOM 0 HB2 TYR A 27 69.356 5.908 1.355 1.00 15.00 H new ATOM 0 HB3 TYR A 27 68.697 7.156 0.316 1.00 15.00 H new ATOM 0 HD1 TYR A 27 70.934 6.941 3.360 1.00 15.00 H new ATOM 0 HD2 TYR A 27 70.207 8.734 -0.508 1.00 15.00 H new ATOM 0 HE1 TYR A 27 73.063 8.228 3.557 1.00 15.00 H new ATOM 0 HE2 TYR A 27 72.337 10.023 -0.308 1.00 15.00 H new ATOM 0 HH TYR A 27 74.144 10.474 0.945 1.00 15.00 H new ATOM 465 N THR A 28 66.993 9.084 1.115 1.00 15.00 N ATOM 466 CA THR A 28 66.514 10.483 0.885 1.00 15.00 C ATOM 467 C THR A 28 65.165 10.474 0.161 1.00 15.00 C ATOM 468 O THR A 28 64.923 9.655 -0.706 1.00 15.00 O ATOM 469 CB THR A 28 67.587 11.139 0.013 1.00 15.00 C ATOM 470 OG1 THR A 28 67.918 10.271 -1.063 1.00 15.00 O ATOM 471 CG2 THR A 28 68.835 11.413 0.854 1.00 15.00 C ATOM 0 H THR A 28 66.773 8.424 0.369 1.00 15.00 H new ATOM 0 HA THR A 28 66.367 11.022 1.821 1.00 15.00 H new ATOM 0 HB THR A 28 67.207 12.080 -0.384 1.00 15.00 H new ATOM 0 HG1 THR A 28 68.480 10.749 -1.708 1.00 15.00 H new ATOM 0 HG21 THR A 28 69.598 11.880 0.231 1.00 15.00 H new ATOM 0 HG22 THR A 28 68.580 12.080 1.677 1.00 15.00 H new ATOM 0 HG23 THR A 28 69.218 10.474 1.254 1.00 15.00 H new ATOM 479 N ILE A 29 64.289 11.383 0.516 1.00 15.00 N ATOM 480 CA ILE A 29 62.934 11.424 -0.120 1.00 15.00 C ATOM 481 C ILE A 29 62.784 12.719 -0.933 1.00 15.00 C ATOM 482 O ILE A 29 62.978 13.805 -0.417 1.00 15.00 O ATOM 483 CB ILE A 29 61.932 11.403 1.049 1.00 15.00 C ATOM 484 CG1 ILE A 29 62.144 10.147 1.908 1.00 15.00 C ATOM 485 CG2 ILE A 29 60.501 11.393 0.502 1.00 15.00 C ATOM 486 CD1 ILE A 29 61.359 10.283 3.217 1.00 15.00 C ATOM 0 H ILE A 29 64.455 12.101 1.221 1.00 15.00 H new ATOM 0 HA ILE A 29 62.771 10.589 -0.802 1.00 15.00 H new ATOM 0 HB ILE A 29 62.091 12.292 1.660 1.00 15.00 H new ATOM 0 HG12 ILE A 29 61.814 9.262 1.364 1.00 15.00 H new ATOM 0 HG13 ILE A 29 63.205 10.014 2.120 1.00 15.00 H new ATOM 0 HG21 ILE A 29 59.794 11.378 1.332 1.00 15.00 H new ATOM 0 HG22 ILE A 29 60.335 12.287 -0.100 1.00 15.00 H new ATOM 0 HG23 ILE A 29 60.354 10.507 -0.116 1.00 15.00 H new ATOM 0 HD11 ILE A 29 61.510 9.392 3.826 1.00 15.00 H new ATOM 0 HD12 ILE A 29 61.710 11.159 3.763 1.00 15.00 H new ATOM 0 HD13 ILE A 29 60.298 10.395 2.995 1.00 15.00 H new ATOM 498 N ASP A 30 62.443 12.608 -2.195 1.00 15.00 N ATOM 499 CA ASP A 30 62.220 13.827 -3.030 1.00 15.00 C ATOM 500 C ASP A 30 60.739 13.941 -3.398 1.00 15.00 C ATOM 501 O ASP A 30 60.278 13.317 -4.338 1.00 15.00 O ATOM 502 CB ASP A 30 63.073 13.612 -4.281 1.00 15.00 C ATOM 503 CG ASP A 30 63.104 14.899 -5.108 1.00 15.00 C ATOM 504 OD1 ASP A 30 63.278 15.954 -4.522 1.00 15.00 O ATOM 505 OD2 ASP A 30 62.954 14.807 -6.316 1.00 15.00 O ATOM 0 H ASP A 30 62.310 11.722 -2.682 1.00 15.00 H new ATOM 0 HA ASP A 30 62.492 14.745 -2.510 1.00 15.00 H new ATOM 0 HB2 ASP A 30 64.086 13.325 -3.998 1.00 15.00 H new ATOM 0 HB3 ASP A 30 62.665 12.795 -4.876 1.00 15.00 H new ATOM 510 N THR A 31 59.994 14.731 -2.664 1.00 15.00 N ATOM 511 CA THR A 31 58.521 14.830 -2.912 1.00 15.00 C ATOM 512 C THR A 31 58.245 15.589 -4.212 1.00 15.00 C ATOM 513 O THR A 31 57.328 15.265 -4.943 1.00 15.00 O ATOM 514 CB THR A 31 57.957 15.600 -1.713 1.00 15.00 C ATOM 515 OG1 THR A 31 58.434 15.014 -0.509 1.00 15.00 O ATOM 516 CG2 THR A 31 56.429 15.545 -1.739 1.00 15.00 C ATOM 0 H THR A 31 60.343 15.313 -1.902 1.00 15.00 H new ATOM 0 HA THR A 31 58.062 13.847 -3.016 1.00 15.00 H new ATOM 0 HB THR A 31 58.280 16.640 -1.765 1.00 15.00 H new ATOM 0 HG1 THR A 31 58.076 15.506 0.259 1.00 15.00 H new ATOM 0 HG21 THR A 31 56.031 16.093 -0.885 1.00 15.00 H new ATOM 0 HG22 THR A 31 56.064 15.996 -2.662 1.00 15.00 H new ATOM 0 HG23 THR A 31 56.101 14.507 -1.688 1.00 15.00 H new ATOM 524 N GLU A 32 59.039 16.590 -4.510 1.00 15.00 N ATOM 525 CA GLU A 32 58.721 17.503 -5.660 1.00 15.00 C ATOM 526 C GLU A 32 58.624 16.721 -6.976 1.00 15.00 C ATOM 527 O GLU A 32 57.901 17.103 -7.878 1.00 15.00 O ATOM 528 CB GLU A 32 59.884 18.499 -5.720 1.00 15.00 C ATOM 529 CG GLU A 32 59.542 19.629 -6.694 1.00 15.00 C ATOM 530 CD GLU A 32 60.753 20.552 -6.854 1.00 15.00 C ATOM 531 OE1 GLU A 32 61.850 20.037 -7.002 1.00 15.00 O ATOM 532 OE2 GLU A 32 60.562 21.757 -6.826 1.00 15.00 O ATOM 0 H GLU A 32 59.897 16.817 -4.006 1.00 15.00 H new ATOM 0 HA GLU A 32 57.760 17.998 -5.521 1.00 15.00 H new ATOM 0 HB2 GLU A 32 60.079 18.907 -4.728 1.00 15.00 H new ATOM 0 HB3 GLU A 32 60.794 17.992 -6.040 1.00 15.00 H new ATOM 0 HG2 GLU A 32 59.257 19.215 -7.661 1.00 15.00 H new ATOM 0 HG3 GLU A 32 58.687 20.195 -6.325 1.00 15.00 H new ATOM 539 N ASN A 33 59.343 15.630 -7.091 1.00 15.00 N ATOM 540 CA ASN A 33 59.348 14.858 -8.376 1.00 15.00 C ATOM 541 C ASN A 33 58.773 13.444 -8.187 1.00 15.00 C ATOM 542 O ASN A 33 58.925 12.596 -9.047 1.00 15.00 O ATOM 543 CB ASN A 33 60.821 14.781 -8.782 1.00 15.00 C ATOM 544 CG ASN A 33 61.334 16.177 -9.148 1.00 15.00 C ATOM 545 OD1 ASN A 33 60.585 17.012 -9.620 1.00 15.00 O ATOM 546 ND2 ASN A 33 62.591 16.469 -8.952 1.00 15.00 N ATOM 0 H ASN A 33 59.927 15.240 -6.351 1.00 15.00 H new ATOM 0 HA ASN A 33 58.728 15.339 -9.132 1.00 15.00 H new ATOM 0 HB2 ASN A 33 61.412 14.370 -7.964 1.00 15.00 H new ATOM 0 HB3 ASN A 33 60.939 14.107 -9.630 1.00 15.00 H new ATOM 0 HD21 ASN A 33 62.943 17.395 -9.194 1.00 15.00 H new ATOM 0 HD22 ASN A 33 63.221 15.771 -8.557 1.00 15.00 H new ATOM 553 N SER A 34 58.109 13.180 -7.076 1.00 15.00 N ATOM 554 CA SER A 34 57.589 11.796 -6.789 1.00 15.00 C ATOM 555 C SER A 34 58.690 10.737 -6.981 1.00 15.00 C ATOM 556 O SER A 34 58.491 9.731 -7.642 1.00 15.00 O ATOM 557 CB SER A 34 56.445 11.581 -7.787 1.00 15.00 C ATOM 558 OG SER A 34 55.278 12.237 -7.311 1.00 15.00 O ATOM 0 H SER A 34 57.905 13.869 -6.353 1.00 15.00 H new ATOM 0 HA SER A 34 57.253 11.699 -5.757 1.00 15.00 H new ATOM 0 HB2 SER A 34 56.722 11.972 -8.766 1.00 15.00 H new ATOM 0 HB3 SER A 34 56.252 10.516 -7.913 1.00 15.00 H new ATOM 0 HG SER A 34 54.545 12.103 -7.947 1.00 15.00 H new ATOM 564 N THR A 35 59.847 10.959 -6.403 1.00 15.00 N ATOM 565 CA THR A 35 60.979 9.995 -6.575 1.00 15.00 C ATOM 566 C THR A 35 61.609 9.664 -5.219 1.00 15.00 C ATOM 567 O THR A 35 61.640 10.485 -4.320 1.00 15.00 O ATOM 568 CB THR A 35 61.988 10.717 -7.473 1.00 15.00 C ATOM 569 OG1 THR A 35 62.206 12.030 -6.976 1.00 15.00 O ATOM 570 CG2 THR A 35 61.453 10.796 -8.907 1.00 15.00 C ATOM 0 H THR A 35 60.056 11.768 -5.818 1.00 15.00 H new ATOM 0 HA THR A 35 60.650 9.051 -7.010 1.00 15.00 H new ATOM 0 HB THR A 35 62.927 10.163 -7.474 1.00 15.00 H new ATOM 0 HG1 THR A 35 62.964 12.436 -7.446 1.00 15.00 H new ATOM 0 HG21 THR A 35 62.178 11.311 -9.538 1.00 15.00 H new ATOM 0 HG22 THR A 35 61.289 9.789 -9.290 1.00 15.00 H new ATOM 0 HG23 THR A 35 60.511 11.344 -8.914 1.00 15.00 H new ATOM 578 N VAL A 36 62.115 8.464 -5.070 1.00 15.00 N ATOM 579 CA VAL A 36 62.747 8.059 -3.776 1.00 15.00 C ATOM 580 C VAL A 36 64.119 7.434 -4.046 1.00 15.00 C ATOM 581 O VAL A 36 64.286 6.667 -4.977 1.00 15.00 O ATOM 582 CB VAL A 36 61.784 7.029 -3.162 1.00 15.00 C ATOM 583 CG1 VAL A 36 62.329 6.545 -1.814 1.00 15.00 C ATOM 584 CG2 VAL A 36 60.410 7.670 -2.941 1.00 15.00 C ATOM 0 H VAL A 36 62.117 7.744 -5.793 1.00 15.00 H new ATOM 0 HA VAL A 36 62.907 8.903 -3.105 1.00 15.00 H new ATOM 0 HB VAL A 36 61.691 6.185 -3.845 1.00 15.00 H new ATOM 0 HG11 VAL A 36 61.642 5.816 -1.385 1.00 15.00 H new ATOM 0 HG12 VAL A 36 63.305 6.082 -1.961 1.00 15.00 H new ATOM 0 HG13 VAL A 36 62.428 7.393 -1.136 1.00 15.00 H new ATOM 0 HG21 VAL A 36 59.732 6.936 -2.506 1.00 15.00 H new ATOM 0 HG22 VAL A 36 60.509 8.519 -2.264 1.00 15.00 H new ATOM 0 HG23 VAL A 36 60.010 8.012 -3.896 1.00 15.00 H new ATOM 594 N ALA A 37 65.101 7.760 -3.239 1.00 15.00 N ATOM 595 CA ALA A 37 66.456 7.152 -3.411 1.00 15.00 C ATOM 596 C ALA A 37 66.760 6.215 -2.241 1.00 15.00 C ATOM 597 O ALA A 37 66.634 6.593 -1.089 1.00 15.00 O ATOM 598 CB ALA A 37 67.434 8.333 -3.428 1.00 15.00 C ATOM 0 H ALA A 37 65.021 8.422 -2.468 1.00 15.00 H new ATOM 0 HA ALA A 37 66.529 6.560 -4.323 1.00 15.00 H new ATOM 0 HB1 ALA A 37 68.451 7.961 -3.551 1.00 15.00 H new ATOM 0 HB2 ALA A 37 67.187 8.998 -4.256 1.00 15.00 H new ATOM 0 HB3 ALA A 37 67.359 8.881 -2.489 1.00 15.00 H new ATOM 604 N LEU A 38 67.162 5.001 -2.532 1.00 15.00 N ATOM 605 CA LEU A 38 67.443 4.012 -1.446 1.00 15.00 C ATOM 606 C LEU A 38 68.920 3.619 -1.473 1.00 15.00 C ATOM 607 O LEU A 38 69.488 3.395 -2.527 1.00 15.00 O ATOM 608 CB LEU A 38 66.569 2.791 -1.763 1.00 15.00 C ATOM 609 CG LEU A 38 65.083 3.170 -1.742 1.00 15.00 C ATOM 610 CD1 LEU A 38 64.247 1.962 -2.172 1.00 15.00 C ATOM 611 CD2 LEU A 38 64.672 3.588 -0.326 1.00 15.00 C ATOM 0 H LEU A 38 67.308 4.652 -3.479 1.00 15.00 H new ATOM 0 HA LEU A 38 67.226 4.419 -0.458 1.00 15.00 H new ATOM 0 HB2 LEU A 38 66.834 2.392 -2.742 1.00 15.00 H new ATOM 0 HB3 LEU A 38 66.759 2.002 -1.035 1.00 15.00 H new ATOM 0 HG LEU A 38 64.915 4.001 -2.427 1.00 15.00 H new ATOM 0 HD11 LEU A 38 63.190 2.228 -2.158 1.00 15.00 H new ATOM 0 HD12 LEU A 38 64.533 1.662 -3.180 1.00 15.00 H new ATOM 0 HD13 LEU A 38 64.422 1.135 -1.484 1.00 15.00 H new ATOM 0 HD21 LEU A 38 63.615 3.856 -0.318 1.00 15.00 H new ATOM 0 HD22 LEU A 38 64.841 2.759 0.362 1.00 15.00 H new ATOM 0 HD23 LEU A 38 65.266 4.446 -0.013 1.00 15.00 H new ATOM 623 N ALA A 39 69.542 3.535 -0.324 1.00 15.00 N ATOM 624 CA ALA A 39 70.977 3.128 -0.268 1.00 15.00 C ATOM 625 C ALA A 39 71.105 1.777 0.439 1.00 15.00 C ATOM 626 O ALA A 39 70.189 1.330 1.108 1.00 15.00 O ATOM 627 CB ALA A 39 71.671 4.225 0.538 1.00 15.00 C ATOM 0 H ALA A 39 69.115 3.732 0.581 1.00 15.00 H new ATOM 0 HA ALA A 39 71.418 3.016 -1.259 1.00 15.00 H new ATOM 0 HB1 ALA A 39 72.733 3.997 0.624 1.00 15.00 H new ATOM 0 HB2 ALA A 39 71.545 5.183 0.033 1.00 15.00 H new ATOM 0 HB3 ALA A 39 71.230 4.279 1.533 1.00 15.00 H new ATOM 633 N LYS A 40 72.240 1.121 0.297 1.00 15.00 N ATOM 634 CA LYS A 40 72.434 -0.241 0.906 1.00 15.00 C ATOM 635 C LYS A 40 71.283 -1.178 0.508 1.00 15.00 C ATOM 636 O LYS A 40 70.566 -1.696 1.347 1.00 15.00 O ATOM 637 CB LYS A 40 72.460 -0.011 2.423 1.00 15.00 C ATOM 638 CG LYS A 40 72.898 -1.296 3.129 1.00 15.00 C ATOM 639 CD LYS A 40 73.035 -1.034 4.630 1.00 15.00 C ATOM 640 CE LYS A 40 71.644 -0.883 5.252 1.00 15.00 C ATOM 641 NZ LYS A 40 71.897 -0.527 6.676 1.00 15.00 N ATOM 0 H LYS A 40 73.046 1.475 -0.219 1.00 15.00 H new ATOM 0 HA LYS A 40 73.352 -0.716 0.560 1.00 15.00 H new ATOM 0 HB2 LYS A 40 73.145 0.801 2.666 1.00 15.00 H new ATOM 0 HB3 LYS A 40 71.472 0.290 2.773 1.00 15.00 H new ATOM 0 HG2 LYS A 40 72.169 -2.087 2.952 1.00 15.00 H new ATOM 0 HG3 LYS A 40 73.848 -1.641 2.721 1.00 15.00 H new ATOM 0 HD2 LYS A 40 73.570 -1.856 5.106 1.00 15.00 H new ATOM 0 HD3 LYS A 40 73.621 -0.131 4.800 1.00 15.00 H new ATOM 0 HE2 LYS A 40 71.068 -0.108 4.747 1.00 15.00 H new ATOM 0 HE3 LYS A 40 71.073 -1.808 5.172 1.00 15.00 H new ATOM 0 HZ1 LYS A 40 70.990 -0.406 7.170 1.00 15.00 H new ATOM 0 HZ2 LYS A 40 72.442 -1.287 7.132 1.00 15.00 H new ATOM 0 HZ3 LYS A 40 72.437 0.361 6.721 1.00 15.00 H new ATOM 655 N VAL A 41 71.107 -1.395 -0.774 1.00 15.00 N ATOM 656 CA VAL A 41 69.931 -2.184 -1.256 1.00 15.00 C ATOM 657 C VAL A 41 70.403 -3.391 -2.079 1.00 15.00 C ATOM 658 O VAL A 41 71.426 -3.343 -2.737 1.00 15.00 O ATOM 659 CB VAL A 41 69.113 -1.196 -2.110 1.00 15.00 C ATOM 660 CG1 VAL A 41 69.915 -0.757 -3.342 1.00 15.00 C ATOM 661 CG2 VAL A 41 67.810 -1.862 -2.564 1.00 15.00 C ATOM 0 H VAL A 41 71.730 -1.058 -1.508 1.00 15.00 H new ATOM 0 HA VAL A 41 69.333 -2.590 -0.440 1.00 15.00 H new ATOM 0 HB VAL A 41 68.887 -0.318 -1.504 1.00 15.00 H new ATOM 0 HG11 VAL A 41 69.321 -0.060 -3.933 1.00 15.00 H new ATOM 0 HG12 VAL A 41 70.836 -0.269 -3.022 1.00 15.00 H new ATOM 0 HG13 VAL A 41 70.159 -1.630 -3.948 1.00 15.00 H new ATOM 0 HG21 VAL A 41 67.234 -1.161 -3.168 1.00 15.00 H new ATOM 0 HG22 VAL A 41 68.041 -2.747 -3.157 1.00 15.00 H new ATOM 0 HG23 VAL A 41 67.227 -2.153 -1.690 1.00 15.00 H new ATOM 671 N ARG A 42 69.659 -4.467 -2.040 1.00 15.00 N ATOM 672 CA ARG A 42 70.035 -5.680 -2.832 1.00 15.00 C ATOM 673 C ARG A 42 68.785 -6.321 -3.447 1.00 15.00 C ATOM 674 O ARG A 42 67.700 -6.230 -2.900 1.00 15.00 O ATOM 675 CB ARG A 42 70.707 -6.633 -1.830 1.00 15.00 C ATOM 676 CG ARG A 42 69.748 -6.973 -0.681 1.00 15.00 C ATOM 677 CD ARG A 42 70.503 -7.747 0.404 1.00 15.00 C ATOM 678 NE ARG A 42 71.429 -6.750 1.034 1.00 15.00 N ATOM 679 CZ ARG A 42 72.454 -7.133 1.772 1.00 15.00 C ATOM 680 NH1 ARG A 42 72.706 -8.403 1.996 1.00 15.00 N ATOM 681 NH2 ARG A 42 73.234 -6.228 2.295 1.00 15.00 N ATOM 0 H ARG A 42 68.804 -4.559 -1.492 1.00 15.00 H new ATOM 0 HA ARG A 42 70.703 -5.439 -3.659 1.00 15.00 H new ATOM 0 HB2 ARG A 42 71.013 -7.547 -2.338 1.00 15.00 H new ATOM 0 HB3 ARG A 42 71.611 -6.172 -1.432 1.00 15.00 H new ATOM 0 HG2 ARG A 42 69.326 -6.059 -0.263 1.00 15.00 H new ATOM 0 HG3 ARG A 42 68.914 -7.568 -1.053 1.00 15.00 H new ATOM 0 HD2 ARG A 42 69.815 -8.164 1.140 1.00 15.00 H new ATOM 0 HD3 ARG A 42 71.057 -8.583 -0.023 1.00 15.00 H new ATOM 0 HE ARG A 42 71.263 -5.754 0.889 1.00 15.00 H new ATOM 0 HH11 ARG A 42 72.102 -9.121 1.596 1.00 15.00 H new ATOM 0 HH12 ARG A 42 73.505 -8.671 2.570 1.00 15.00 H new ATOM 0 HH21 ARG A 42 73.048 -5.238 2.132 1.00 15.00 H new ATOM 0 HH22 ARG A 42 74.030 -6.510 2.867 1.00 15.00 H new ATOM 695 N SER A 43 68.934 -6.965 -4.579 1.00 15.00 N ATOM 696 CA SER A 43 67.777 -7.664 -5.216 1.00 15.00 C ATOM 697 C SER A 43 67.817 -9.155 -4.862 1.00 15.00 C ATOM 698 O SER A 43 68.835 -9.805 -5.019 1.00 15.00 O ATOM 699 CB SER A 43 67.968 -7.443 -6.720 1.00 15.00 C ATOM 700 OG SER A 43 68.966 -8.330 -7.215 1.00 15.00 O ATOM 0 H SER A 43 69.813 -7.036 -5.091 1.00 15.00 H new ATOM 0 HA SER A 43 66.812 -7.288 -4.877 1.00 15.00 H new ATOM 0 HB2 SER A 43 67.027 -7.611 -7.244 1.00 15.00 H new ATOM 0 HB3 SER A 43 68.259 -6.410 -6.911 1.00 15.00 H new ATOM 0 HG SER A 43 69.341 -8.848 -6.472 1.00 15.00 H new ATOM 706 N PHE A 44 66.721 -9.698 -4.389 1.00 15.00 N ATOM 707 CA PHE A 44 66.752 -11.101 -3.857 1.00 15.00 C ATOM 708 C PHE A 44 66.845 -12.113 -5.002 1.00 15.00 C ATOM 709 O PHE A 44 67.560 -13.094 -4.910 1.00 15.00 O ATOM 710 CB PHE A 44 65.433 -11.279 -3.103 1.00 15.00 C ATOM 711 CG PHE A 44 65.333 -10.443 -1.850 1.00 15.00 C ATOM 712 CD1 PHE A 44 66.224 -10.670 -0.773 1.00 15.00 C ATOM 713 CD2 PHE A 44 64.345 -9.434 -1.750 1.00 15.00 C ATOM 714 CE1 PHE A 44 66.127 -9.888 0.403 1.00 15.00 C ATOM 715 CE2 PHE A 44 64.247 -8.652 -0.575 1.00 15.00 C ATOM 716 CZ PHE A 44 65.139 -8.878 0.502 1.00 15.00 C ATOM 0 H PHE A 44 65.812 -9.236 -4.347 1.00 15.00 H new ATOM 0 HA PHE A 44 67.617 -11.267 -3.215 1.00 15.00 H new ATOM 0 HB2 PHE A 44 64.608 -11.023 -3.767 1.00 15.00 H new ATOM 0 HB3 PHE A 44 65.315 -12.330 -2.839 1.00 15.00 H new ATOM 0 HD1 PHE A 44 66.978 -11.440 -0.849 1.00 15.00 H new ATOM 0 HD2 PHE A 44 63.665 -9.261 -2.571 1.00 15.00 H new ATOM 0 HE1 PHE A 44 66.806 -10.062 1.225 1.00 15.00 H new ATOM 0 HE2 PHE A 44 63.492 -7.883 -0.499 1.00 15.00 H new ATOM 0 HZ PHE A 44 65.066 -8.280 1.398 1.00 15.00 H new ATOM 984 N PHE A 62 74.255 -2.882 -4.000 1.00 15.00 N ATOM 985 CA PHE A 62 74.302 -1.553 -4.682 1.00 15.00 C ATOM 986 C PHE A 62 74.311 -0.428 -3.643 1.00 15.00 C ATOM 987 O PHE A 62 73.471 -0.384 -2.762 1.00 15.00 O ATOM 988 CB PHE A 62 73.029 -1.498 -5.522 1.00 15.00 C ATOM 989 CG PHE A 62 73.009 -2.502 -6.651 1.00 15.00 C ATOM 990 CD1 PHE A 62 72.457 -3.789 -6.444 1.00 15.00 C ATOM 991 CD2 PHE A 62 73.545 -2.155 -7.915 1.00 15.00 C ATOM 992 CE1 PHE A 62 72.439 -4.729 -7.503 1.00 15.00 C ATOM 993 CE2 PHE A 62 73.527 -3.096 -8.974 1.00 15.00 C ATOM 994 CZ PHE A 62 72.974 -4.383 -8.768 1.00 15.00 C ATOM 0 HA PHE A 62 75.198 -1.429 -5.291 1.00 15.00 H new ATOM 0 HB2 PHE A 62 72.169 -1.672 -4.876 1.00 15.00 H new ATOM 0 HB3 PHE A 62 72.919 -0.496 -5.936 1.00 15.00 H new ATOM 0 HD1 PHE A 62 72.050 -4.054 -5.479 1.00 15.00 H new ATOM 0 HD2 PHE A 62 73.967 -1.173 -8.072 1.00 15.00 H new ATOM 0 HE1 PHE A 62 72.017 -5.711 -7.346 1.00 15.00 H new ATOM 0 HE2 PHE A 62 73.935 -2.832 -9.938 1.00 15.00 H new ATOM 0 HZ PHE A 62 72.960 -5.101 -9.575 1.00 15.00 H new ATOM 1004 N GLU A 63 75.255 0.475 -3.744 1.00 15.00 N ATOM 1005 CA GLU A 63 75.358 1.583 -2.741 1.00 15.00 C ATOM 1006 C GLU A 63 74.171 2.543 -2.871 1.00 15.00 C ATOM 1007 O GLU A 63 73.604 2.971 -1.883 1.00 15.00 O ATOM 1008 CB GLU A 63 76.667 2.307 -3.065 1.00 15.00 C ATOM 1009 CG GLU A 63 77.851 1.383 -2.773 1.00 15.00 C ATOM 1010 CD GLU A 63 79.160 2.135 -3.018 1.00 15.00 C ATOM 1011 OE1 GLU A 63 79.791 2.518 -2.046 1.00 15.00 O ATOM 1012 OE2 GLU A 63 79.509 2.316 -4.173 1.00 15.00 O ATOM 0 H GLU A 63 75.961 0.493 -4.480 1.00 15.00 H new ATOM 0 HA GLU A 63 75.346 1.202 -1.720 1.00 15.00 H new ATOM 0 HB2 GLU A 63 76.678 2.609 -4.112 1.00 15.00 H new ATOM 0 HB3 GLU A 63 76.748 3.217 -2.470 1.00 15.00 H new ATOM 0 HG2 GLU A 63 77.808 1.034 -1.741 1.00 15.00 H new ATOM 0 HG3 GLU A 63 77.802 0.500 -3.410 1.00 15.00 H new ATOM 1019 N TYR A 64 73.792 2.883 -4.081 1.00 15.00 N ATOM 1020 CA TYR A 64 72.689 3.872 -4.276 1.00 15.00 C ATOM 1021 C TYR A 64 71.935 3.589 -5.580 1.00 15.00 C ATOM 1022 O TYR A 64 72.514 3.576 -6.649 1.00 15.00 O ATOM 1023 CB TYR A 64 73.393 5.227 -4.352 1.00 15.00 C ATOM 1024 CG TYR A 64 72.467 6.409 -4.174 1.00 15.00 C ATOM 1025 CD1 TYR A 64 71.465 6.679 -5.138 1.00 15.00 C ATOM 1026 CD2 TYR A 64 72.606 7.252 -3.044 1.00 15.00 C ATOM 1027 CE1 TYR A 64 70.604 7.791 -4.973 1.00 15.00 C ATOM 1028 CE2 TYR A 64 71.743 8.363 -2.880 1.00 15.00 C ATOM 1029 CZ TYR A 64 70.743 8.633 -3.843 1.00 15.00 C ATOM 1030 OH TYR A 64 69.903 9.715 -3.683 1.00 15.00 O ATOM 0 H TYR A 64 74.201 2.517 -4.941 1.00 15.00 H new ATOM 0 HA TYR A 64 71.953 3.831 -3.474 1.00 15.00 H new ATOM 0 HB2 TYR A 64 74.168 5.266 -3.586 1.00 15.00 H new ATOM 0 HB3 TYR A 64 73.893 5.312 -5.317 1.00 15.00 H new ATOM 0 HD1 TYR A 64 71.358 6.036 -5.999 1.00 15.00 H new ATOM 0 HD2 TYR A 64 73.370 7.048 -2.308 1.00 15.00 H new ATOM 0 HE1 TYR A 64 69.841 7.997 -5.709 1.00 15.00 H new ATOM 0 HE2 TYR A 64 71.849 9.005 -2.018 1.00 15.00 H new ATOM 0 HH TYR A 64 70.132 10.187 -2.855 1.00 15.00 H new ATOM 1040 N ILE A 65 70.645 3.360 -5.491 1.00 15.00 N ATOM 1041 CA ILE A 65 69.810 3.221 -6.728 1.00 15.00 C ATOM 1042 C ILE A 65 68.564 4.110 -6.608 1.00 15.00 C ATOM 1043 O ILE A 65 68.040 4.313 -5.527 1.00 15.00 O ATOM 1044 CB ILE A 65 69.428 1.730 -6.809 1.00 15.00 C ATOM 1045 CG1 ILE A 65 70.704 0.884 -6.933 1.00 15.00 C ATOM 1046 CG2 ILE A 65 68.541 1.482 -8.040 1.00 15.00 C ATOM 1047 CD1 ILE A 65 70.345 -0.586 -7.184 1.00 15.00 C ATOM 0 H ILE A 65 70.134 3.263 -4.614 1.00 15.00 H new ATOM 0 HA ILE A 65 70.341 3.533 -7.627 1.00 15.00 H new ATOM 0 HB ILE A 65 68.882 1.452 -5.907 1.00 15.00 H new ATOM 0 HG12 ILE A 65 71.320 1.260 -7.750 1.00 15.00 H new ATOM 0 HG13 ILE A 65 71.296 0.971 -6.022 1.00 15.00 H new ATOM 0 HG21 ILE A 65 68.275 0.426 -8.090 1.00 15.00 H new ATOM 0 HG22 ILE A 65 67.634 2.081 -7.961 1.00 15.00 H new ATOM 0 HG23 ILE A 65 69.084 1.763 -8.942 1.00 15.00 H new ATOM 0 HD11 ILE A 65 71.259 -1.174 -7.270 1.00 15.00 H new ATOM 0 HD12 ILE A 65 69.748 -0.962 -6.353 1.00 15.00 H new ATOM 0 HD13 ILE A 65 69.773 -0.668 -8.108 1.00 15.00 H new ATOM 1059 N ILE A 66 68.091 4.636 -7.713 1.00 15.00 N ATOM 1060 CA ILE A 66 66.911 5.556 -7.675 1.00 15.00 C ATOM 1061 C ILE A 66 65.692 4.873 -8.311 1.00 15.00 C ATOM 1062 O ILE A 66 65.801 4.218 -9.331 1.00 15.00 O ATOM 1063 CB ILE A 66 67.332 6.790 -8.493 1.00 15.00 C ATOM 1064 CG1 ILE A 66 68.551 7.452 -7.844 1.00 15.00 C ATOM 1065 CG2 ILE A 66 66.184 7.805 -8.537 1.00 15.00 C ATOM 1066 CD1 ILE A 66 69.173 8.450 -8.824 1.00 15.00 C ATOM 0 H ILE A 66 68.474 4.466 -8.643 1.00 15.00 H new ATOM 0 HA ILE A 66 66.630 5.826 -6.657 1.00 15.00 H new ATOM 0 HB ILE A 66 67.579 6.470 -9.505 1.00 15.00 H new ATOM 0 HG12 ILE A 66 68.256 7.962 -6.927 1.00 15.00 H new ATOM 0 HG13 ILE A 66 69.284 6.695 -7.565 1.00 15.00 H new ATOM 0 HG21 ILE A 66 66.490 8.675 -9.118 1.00 15.00 H new ATOM 0 HG22 ILE A 66 65.311 7.347 -9.002 1.00 15.00 H new ATOM 0 HG23 ILE A 66 65.934 8.115 -7.523 1.00 15.00 H new ATOM 0 HD11 ILE A 66 70.041 8.921 -8.362 1.00 15.00 H new ATOM 0 HD12 ILE A 66 69.483 7.927 -9.729 1.00 15.00 H new ATOM 0 HD13 ILE A 66 68.439 9.214 -9.080 1.00 15.00 H new ATOM 1078 N PHE A 67 64.539 5.025 -7.708 1.00 15.00 N ATOM 1079 CA PHE A 67 63.285 4.478 -8.312 1.00 15.00 C ATOM 1080 C PHE A 67 62.211 5.569 -8.356 1.00 15.00 C ATOM 1081 O PHE A 67 62.089 6.362 -7.441 1.00 15.00 O ATOM 1082 CB PHE A 67 62.858 3.341 -7.385 1.00 15.00 C ATOM 1083 CG PHE A 67 63.764 2.134 -7.453 1.00 15.00 C ATOM 1084 CD1 PHE A 67 63.725 1.282 -8.584 1.00 15.00 C ATOM 1085 CD2 PHE A 67 64.652 1.853 -6.387 1.00 15.00 C ATOM 1086 CE1 PHE A 67 64.574 0.151 -8.649 1.00 15.00 C ATOM 1087 CE2 PHE A 67 65.502 0.722 -6.451 1.00 15.00 C ATOM 1088 CZ PHE A 67 65.462 -0.130 -7.582 1.00 15.00 C ATOM 0 H PHE A 67 64.412 5.507 -6.818 1.00 15.00 H new ATOM 0 HA PHE A 67 63.433 4.130 -9.334 1.00 15.00 H new ATOM 0 HB2 PHE A 67 62.833 3.709 -6.359 1.00 15.00 H new ATOM 0 HB3 PHE A 67 61.842 3.038 -7.639 1.00 15.00 H new ATOM 0 HD1 PHE A 67 63.047 1.495 -9.397 1.00 15.00 H new ATOM 0 HD2 PHE A 67 64.681 2.502 -5.524 1.00 15.00 H new ATOM 0 HE1 PHE A 67 64.545 -0.497 -9.512 1.00 15.00 H new ATOM 0 HE2 PHE A 67 66.180 0.509 -5.638 1.00 15.00 H new ATOM 0 HZ PHE A 67 66.109 -0.994 -7.631 1.00 15.00 H new ATOM 1098 N ARG A 68 61.436 5.611 -9.412 1.00 15.00 N ATOM 1099 CA ARG A 68 60.368 6.651 -9.526 1.00 15.00 C ATOM 1100 C ARG A 68 58.989 6.007 -9.363 1.00 15.00 C ATOM 1101 O ARG A 68 58.800 4.845 -9.668 1.00 15.00 O ATOM 1102 CB ARG A 68 60.524 7.239 -10.932 1.00 15.00 C ATOM 1103 CG ARG A 68 61.871 7.958 -11.043 1.00 15.00 C ATOM 1104 CD ARG A 68 61.962 8.667 -12.399 1.00 15.00 C ATOM 1105 NE ARG A 68 63.375 9.159 -12.496 1.00 15.00 N ATOM 1106 CZ ARG A 68 63.902 9.515 -13.652 1.00 15.00 C ATOM 1107 NH1 ARG A 68 63.212 9.464 -14.770 1.00 15.00 N ATOM 1108 NH2 ARG A 68 65.137 9.932 -13.687 1.00 15.00 N ATOM 0 H ARG A 68 61.498 4.968 -10.201 1.00 15.00 H new ATOM 0 HA ARG A 68 60.457 7.418 -8.757 1.00 15.00 H new ATOM 0 HB2 ARG A 68 60.461 6.446 -11.677 1.00 15.00 H new ATOM 0 HB3 ARG A 68 59.711 7.935 -11.138 1.00 15.00 H new ATOM 0 HG2 ARG A 68 61.977 8.681 -10.235 1.00 15.00 H new ATOM 0 HG3 ARG A 68 62.687 7.243 -10.939 1.00 15.00 H new ATOM 0 HD2 ARG A 68 61.726 7.985 -13.216 1.00 15.00 H new ATOM 0 HD3 ARG A 68 61.253 9.493 -12.459 1.00 15.00 H new ATOM 0 HE ARG A 68 63.941 9.220 -11.650 1.00 15.00 H new ATOM 0 HH11 ARG A 68 62.244 9.143 -14.758 1.00 15.00 H new ATOM 0 HH12 ARG A 68 63.645 9.745 -15.650 1.00 15.00 H new ATOM 0 HH21 ARG A 68 65.684 9.980 -12.827 1.00 15.00 H new ATOM 0 HH22 ARG A 68 65.556 10.210 -14.574 1.00 15.00 H new ATOM 1122 N GLY A 69 58.024 6.758 -8.886 1.00 15.00 N ATOM 1123 CA GLY A 69 56.650 6.195 -8.668 1.00 15.00 C ATOM 1124 C GLY A 69 56.093 5.600 -9.971 1.00 15.00 C ATOM 1125 O GLY A 69 55.259 4.713 -9.945 1.00 15.00 O ATOM 0 H GLY A 69 58.129 7.742 -8.637 1.00 15.00 H new ATOM 0 HA2 GLY A 69 56.685 5.425 -7.897 1.00 15.00 H new ATOM 0 HA3 GLY A 69 55.984 6.978 -8.306 1.00 15.00 H new ATOM 1129 N SER A 70 56.546 6.080 -11.106 1.00 15.00 N ATOM 1130 CA SER A 70 56.011 5.572 -12.412 1.00 15.00 C ATOM 1131 C SER A 70 56.409 4.107 -12.629 1.00 15.00 C ATOM 1132 O SER A 70 55.591 3.289 -13.010 1.00 15.00 O ATOM 1133 CB SER A 70 56.647 6.459 -13.485 1.00 15.00 C ATOM 1134 OG SER A 70 56.377 7.823 -13.187 1.00 15.00 O ATOM 0 H SER A 70 57.263 6.801 -11.185 1.00 15.00 H new ATOM 0 HA SER A 70 54.922 5.611 -12.442 1.00 15.00 H new ATOM 0 HB2 SER A 70 57.723 6.289 -13.523 1.00 15.00 H new ATOM 0 HB3 SER A 70 56.249 6.204 -14.467 1.00 15.00 H new ATOM 0 HG SER A 70 56.784 8.394 -13.871 1.00 15.00 H new ATOM 1140 N ASP A 71 57.654 3.773 -12.390 1.00 15.00 N ATOM 1141 CA ASP A 71 58.128 2.376 -12.662 1.00 15.00 C ATOM 1142 C ASP A 71 57.763 1.442 -11.498 1.00 15.00 C ATOM 1143 O ASP A 71 57.509 0.268 -11.695 1.00 15.00 O ATOM 1144 CB ASP A 71 59.653 2.478 -12.834 1.00 15.00 C ATOM 1145 CG ASP A 71 60.308 2.990 -11.544 1.00 15.00 C ATOM 1146 OD1 ASP A 71 60.576 4.176 -11.472 1.00 15.00 O ATOM 1147 OD2 ASP A 71 60.531 2.185 -10.656 1.00 15.00 O ATOM 0 H ASP A 71 58.363 4.405 -12.019 1.00 15.00 H new ATOM 0 HA ASP A 71 57.657 1.957 -13.551 1.00 15.00 H new ATOM 0 HB2 ASP A 71 60.062 1.501 -13.093 1.00 15.00 H new ATOM 0 HB3 ASP A 71 59.887 3.150 -13.659 1.00 15.00 H new ATOM 1152 N ILE A 72 57.736 1.958 -10.292 1.00 15.00 N ATOM 1153 CA ILE A 72 57.408 1.098 -9.106 1.00 15.00 C ATOM 1154 C ILE A 72 55.955 0.613 -9.198 1.00 15.00 C ATOM 1155 O ILE A 72 55.070 1.351 -9.596 1.00 15.00 O ATOM 1156 CB ILE A 72 57.606 1.993 -7.870 1.00 15.00 C ATOM 1157 CG1 ILE A 72 59.066 2.460 -7.796 1.00 15.00 C ATOM 1158 CG2 ILE A 72 57.272 1.206 -6.597 1.00 15.00 C ATOM 1159 CD1 ILE A 72 59.186 3.601 -6.784 1.00 15.00 C ATOM 0 H ILE A 72 57.926 2.936 -10.076 1.00 15.00 H new ATOM 0 HA ILE A 72 58.041 0.212 -9.057 1.00 15.00 H new ATOM 0 HB ILE A 72 56.946 2.856 -7.952 1.00 15.00 H new ATOM 0 HG12 ILE A 72 59.710 1.631 -7.503 1.00 15.00 H new ATOM 0 HG13 ILE A 72 59.403 2.793 -8.778 1.00 15.00 H new ATOM 0 HG21 ILE A 72 57.414 1.846 -5.726 1.00 15.00 H new ATOM 0 HG22 ILE A 72 56.235 0.873 -6.637 1.00 15.00 H new ATOM 0 HG23 ILE A 72 57.929 0.339 -6.522 1.00 15.00 H new ATOM 0 HD11 ILE A 72 60.223 3.933 -6.731 1.00 15.00 H new ATOM 0 HD12 ILE A 72 58.554 4.432 -7.097 1.00 15.00 H new ATOM 0 HD13 ILE A 72 58.866 3.252 -5.802 1.00 15.00 H new ATOM 1171 N LYS A 73 55.709 -0.621 -8.832 1.00 15.00 N ATOM 1172 CA LYS A 73 54.320 -1.165 -8.885 1.00 15.00 C ATOM 1173 C LYS A 73 53.695 -1.155 -7.488 1.00 15.00 C ATOM 1174 O LYS A 73 52.539 -0.807 -7.321 1.00 15.00 O ATOM 1175 CB LYS A 73 54.475 -2.599 -9.394 1.00 15.00 C ATOM 1176 CG LYS A 73 53.097 -3.178 -9.721 1.00 15.00 C ATOM 1177 CD LYS A 73 53.248 -4.631 -10.174 1.00 15.00 C ATOM 1178 CE LYS A 73 51.898 -5.155 -10.668 1.00 15.00 C ATOM 1179 NZ LYS A 73 52.164 -6.555 -11.101 1.00 15.00 N ATOM 0 H LYS A 73 56.415 -1.277 -8.497 1.00 15.00 H new ATOM 0 HA LYS A 73 53.669 -0.573 -9.528 1.00 15.00 H new ATOM 0 HB2 LYS A 73 55.107 -2.614 -10.282 1.00 15.00 H new ATOM 0 HB3 LYS A 73 54.969 -3.212 -8.640 1.00 15.00 H new ATOM 0 HG2 LYS A 73 52.451 -3.125 -8.845 1.00 15.00 H new ATOM 0 HG3 LYS A 73 52.620 -2.589 -10.505 1.00 15.00 H new ATOM 0 HD2 LYS A 73 53.990 -4.700 -10.970 1.00 15.00 H new ATOM 0 HD3 LYS A 73 53.608 -5.245 -9.348 1.00 15.00 H new ATOM 0 HE2 LYS A 73 51.148 -5.122 -9.877 1.00 15.00 H new ATOM 0 HE3 LYS A 73 51.518 -4.552 -11.493 1.00 15.00 H new ATOM 0 HZ1 LYS A 73 51.284 -6.983 -11.453 1.00 15.00 H new ATOM 0 HZ2 LYS A 73 52.876 -6.555 -11.859 1.00 15.00 H new ATOM 0 HZ3 LYS A 73 52.518 -7.107 -10.294 1.00 15.00 H new ATOM 1193 N ASP A 74 54.451 -1.534 -6.486 1.00 15.00 N ATOM 1194 CA ASP A 74 53.895 -1.577 -5.096 1.00 15.00 C ATOM 1195 C ASP A 74 54.969 -1.196 -4.072 1.00 15.00 C ATOM 1196 O ASP A 74 56.132 -1.516 -4.234 1.00 15.00 O ATOM 1197 CB ASP A 74 53.453 -3.026 -4.894 1.00 15.00 C ATOM 1198 CG ASP A 74 52.638 -3.138 -3.602 1.00 15.00 C ATOM 1199 OD1 ASP A 74 53.220 -3.486 -2.588 1.00 15.00 O ATOM 1200 OD2 ASP A 74 51.449 -2.873 -3.652 1.00 15.00 O ATOM 0 H ASP A 74 55.428 -1.815 -6.570 1.00 15.00 H new ATOM 0 HA ASP A 74 53.073 -0.873 -4.962 1.00 15.00 H new ATOM 0 HB2 ASP A 74 52.855 -3.356 -5.743 1.00 15.00 H new ATOM 0 HB3 ASP A 74 54.324 -3.679 -4.844 1.00 15.00 H new ATOM 1205 N LEU A 75 54.582 -0.515 -3.018 1.00 15.00 N ATOM 1206 CA LEU A 75 55.565 -0.113 -1.964 1.00 15.00 C ATOM 1207 C LEU A 75 55.049 -0.519 -0.578 1.00 15.00 C ATOM 1208 O LEU A 75 53.928 -0.213 -0.213 1.00 15.00 O ATOM 1209 CB LEU A 75 55.658 1.410 -2.075 1.00 15.00 C ATOM 1210 CG LEU A 75 56.877 1.911 -1.296 1.00 15.00 C ATOM 1211 CD1 LEU A 75 57.311 3.271 -1.848 1.00 15.00 C ATOM 1212 CD2 LEU A 75 56.513 2.058 0.185 1.00 15.00 C ATOM 0 H LEU A 75 53.621 -0.220 -2.843 1.00 15.00 H new ATOM 0 HA LEU A 75 56.535 -0.593 -2.096 1.00 15.00 H new ATOM 0 HB2 LEU A 75 55.737 1.704 -3.122 1.00 15.00 H new ATOM 0 HB3 LEU A 75 54.750 1.869 -1.683 1.00 15.00 H new ATOM 0 HG LEU A 75 57.693 1.196 -1.402 1.00 15.00 H new ATOM 0 HD11 LEU A 75 58.179 3.628 -1.294 1.00 15.00 H new ATOM 0 HD12 LEU A 75 57.570 3.170 -2.902 1.00 15.00 H new ATOM 0 HD13 LEU A 75 56.494 3.984 -1.742 1.00 15.00 H new ATOM 0 HD21 LEU A 75 57.381 2.415 0.739 1.00 15.00 H new ATOM 0 HD22 LEU A 75 55.697 2.773 0.290 1.00 15.00 H new ATOM 0 HD23 LEU A 75 56.202 1.091 0.581 1.00 15.00 H new ATOM 1224 N THR A 76 55.859 -1.206 0.192 1.00 15.00 N ATOM 1225 CA THR A 76 55.443 -1.604 1.573 1.00 15.00 C ATOM 1226 C THR A 76 56.525 -1.212 2.585 1.00 15.00 C ATOM 1227 O THR A 76 57.702 -1.408 2.349 1.00 15.00 O ATOM 1228 CB THR A 76 55.285 -3.124 1.516 1.00 15.00 C ATOM 1229 OG1 THR A 76 54.468 -3.473 0.408 1.00 15.00 O ATOM 1230 CG2 THR A 76 54.634 -3.621 2.809 1.00 15.00 C ATOM 0 H THR A 76 56.795 -1.509 -0.079 1.00 15.00 H new ATOM 0 HA THR A 76 54.523 -1.111 1.886 1.00 15.00 H new ATOM 0 HB THR A 76 56.266 -3.587 1.405 1.00 15.00 H new ATOM 0 HG1 THR A 76 54.367 -4.447 0.370 1.00 15.00 H new ATOM 0 HG21 THR A 76 54.522 -4.704 2.767 1.00 15.00 H new ATOM 0 HG22 THR A 76 55.262 -3.354 3.659 1.00 15.00 H new ATOM 0 HG23 THR A 76 53.653 -3.159 2.924 1.00 15.00 H new