USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 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 66 GLN : amide:sc= 1.06 K(o=1.6,f=-17!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 174:sc= 0.544! (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= 0.42 (180deg=0.406) USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= 1.85 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 1.106 -21.389 -6.009 1.00 2.70 N ATOM 175 CA VAL A 14 -0.108 -20.624 -5.565 1.00 2.49 C ATOM 176 C VAL A 14 0.153 -19.960 -4.212 1.00 2.56 C ATOM 177 O VAL A 14 -0.147 -18.799 -4.007 1.00 2.36 O ATOM 178 CB VAL A 14 -1.213 -21.678 -5.425 1.00 2.62 C ATOM 179 CG1 VAL A 14 -2.455 -21.051 -4.782 1.00 2.61 C ATOM 180 CG2 VAL A 14 -1.584 -22.216 -6.802 1.00 2.53 C ATOM 0 HA VAL A 14 -0.375 -19.835 -6.268 1.00 2.49 H new ATOM 0 HB VAL A 14 -0.849 -22.491 -4.796 1.00 2.62 H new ATOM 0 HG11 VAL A 14 -3.235 -21.806 -4.686 1.00 2.61 H new ATOM 0 HG12 VAL A 14 -2.199 -20.666 -3.795 1.00 2.61 H new ATOM 0 HG13 VAL A 14 -2.815 -20.234 -5.407 1.00 2.61 H new ATOM 0 HG21 VAL A 14 -2.369 -22.965 -6.701 1.00 2.53 H new ATOM 0 HG22 VAL A 14 -1.941 -21.398 -7.428 1.00 2.53 H new ATOM 0 HG23 VAL A 14 -0.707 -22.670 -7.264 1.00 2.53 H new ATOM 190 N VAL A 15 0.719 -20.686 -3.286 1.00 2.85 N ATOM 191 CA VAL A 15 1.000 -20.086 -1.950 1.00 2.94 C ATOM 192 C VAL A 15 2.154 -19.089 -2.061 1.00 2.85 C ATOM 193 O VAL A 15 2.104 -18.009 -1.509 1.00 2.73 O ATOM 194 CB VAL A 15 1.345 -21.251 -1.009 1.00 3.31 C ATOM 195 CG1 VAL A 15 0.098 -22.102 -0.758 1.00 3.41 C ATOM 196 CG2 VAL A 15 2.438 -22.139 -1.604 1.00 3.48 C ATOM 0 H VAL A 15 0.997 -21.661 -3.395 1.00 2.85 H new ATOM 0 HA VAL A 15 0.143 -19.535 -1.564 1.00 2.94 H new ATOM 0 HB VAL A 15 1.708 -20.827 -0.072 1.00 3.31 H new ATOM 0 HG11 VAL A 15 0.348 -22.926 -0.090 1.00 3.41 H new ATOM 0 HG12 VAL A 15 -0.676 -21.487 -0.300 1.00 3.41 H new ATOM 0 HG13 VAL A 15 -0.267 -22.500 -1.705 1.00 3.41 H new ATOM 0 HG21 VAL A 15 2.660 -22.954 -0.915 1.00 3.48 H new ATOM 0 HG22 VAL A 15 2.096 -22.550 -2.554 1.00 3.48 H new ATOM 0 HG23 VAL A 15 3.339 -21.547 -1.768 1.00 3.48 H new ATOM 206 N THR A 16 3.176 -19.435 -2.790 1.00 2.94 N ATOM 207 CA THR A 16 4.331 -18.495 -2.964 1.00 2.91 C ATOM 208 C THR A 16 3.850 -17.174 -3.571 1.00 2.57 C ATOM 209 O THR A 16 4.135 -16.108 -3.057 1.00 2.49 O ATOM 210 CB THR A 16 5.312 -19.200 -3.909 1.00 3.09 C ATOM 211 OG1 THR A 16 5.803 -20.376 -3.284 1.00 3.42 O ATOM 212 CG2 THR A 16 6.488 -18.274 -4.226 1.00 3.15 C ATOM 0 H THR A 16 3.267 -20.327 -3.276 1.00 2.94 H new ATOM 0 HA THR A 16 4.804 -18.257 -2.011 1.00 2.91 H new ATOM 0 HB THR A 16 4.795 -19.457 -4.833 1.00 3.09 H new ATOM 0 HG1 THR A 16 6.429 -20.830 -3.886 1.00 3.42 H new ATOM 0 HG21 THR A 16 7.180 -18.782 -4.898 1.00 3.15 H new ATOM 0 HG22 THR A 16 6.118 -17.367 -4.704 1.00 3.15 H new ATOM 0 HG23 THR A 16 7.005 -18.013 -3.302 1.00 3.15 H new ATOM 220 N VAL A 17 3.114 -17.236 -4.649 1.00 2.39 N ATOM 221 CA VAL A 17 2.606 -15.981 -5.278 1.00 2.09 C ATOM 222 C VAL A 17 1.608 -15.288 -4.341 1.00 1.93 C ATOM 223 O VAL A 17 1.627 -14.086 -4.211 1.00 1.78 O ATOM 224 CB VAL A 17 1.939 -16.384 -6.602 1.00 1.98 C ATOM 225 CG1 VAL A 17 2.945 -17.103 -7.504 1.00 2.21 C ATOM 226 CG2 VAL A 17 0.745 -17.309 -6.348 1.00 1.98 C ATOM 0 H VAL A 17 2.843 -18.099 -5.120 1.00 2.39 H new ATOM 0 HA VAL A 17 3.414 -15.274 -5.463 1.00 2.09 H new ATOM 0 HB VAL A 17 1.590 -15.476 -7.093 1.00 1.98 H new ATOM 0 HG11 VAL A 17 2.460 -17.383 -8.439 1.00 2.21 H new ATOM 0 HG12 VAL A 17 3.784 -16.439 -7.715 1.00 2.21 H new ATOM 0 HG13 VAL A 17 3.309 -17.999 -7.001 1.00 2.21 H new ATOM 0 HG21 VAL A 17 0.288 -17.582 -7.299 1.00 1.98 H new ATOM 0 HG22 VAL A 17 1.085 -18.210 -5.837 1.00 1.98 H new ATOM 0 HG23 VAL A 17 0.012 -16.794 -5.727 1.00 1.98 H new ATOM 236 N ILE A 18 0.756 -16.029 -3.666 1.00 2.02 N ATOM 237 CA ILE A 18 -0.209 -15.372 -2.721 1.00 1.96 C ATOM 238 C ILE A 18 0.562 -14.723 -1.579 1.00 2.06 C ATOM 239 O ILE A 18 0.289 -13.604 -1.210 1.00 1.93 O ATOM 240 CB ILE A 18 -1.132 -16.494 -2.219 1.00 2.17 C ATOM 241 CG1 ILE A 18 -2.168 -16.829 -3.301 1.00 2.07 C ATOM 242 CG2 ILE A 18 -1.864 -16.055 -0.942 1.00 2.31 C ATOM 243 CD1 ILE A 18 -3.128 -15.649 -3.498 1.00 1.93 C ATOM 0 H ILE A 18 0.687 -17.045 -3.727 1.00 2.02 H new ATOM 0 HA ILE A 18 -0.792 -14.584 -3.197 1.00 1.96 H new ATOM 0 HB ILE A 18 -0.525 -17.372 -1.999 1.00 2.17 H new ATOM 0 HG12 ILE A 18 -1.663 -17.057 -4.240 1.00 2.07 H new ATOM 0 HG13 ILE A 18 -2.728 -17.719 -3.015 1.00 2.07 H new ATOM 0 HG21 ILE A 18 -2.513 -16.861 -0.600 1.00 2.31 H new ATOM 0 HG22 ILE A 18 -1.135 -15.822 -0.166 1.00 2.31 H new ATOM 0 HG23 ILE A 18 -2.464 -15.170 -1.153 1.00 2.31 H new ATOM 0 HD11 ILE A 18 -3.858 -15.899 -4.268 1.00 1.93 H new ATOM 0 HD12 ILE A 18 -3.645 -15.440 -2.561 1.00 1.93 H new ATOM 0 HD13 ILE A 18 -2.564 -14.768 -3.805 1.00 1.93 H new ATOM 255 N VAL A 19 1.538 -15.398 -1.042 1.00 2.30 N ATOM 256 CA VAL A 19 2.345 -14.787 0.059 1.00 2.41 C ATOM 257 C VAL A 19 3.042 -13.531 -0.473 1.00 2.22 C ATOM 258 O VAL A 19 3.096 -12.515 0.191 1.00 2.15 O ATOM 259 CB VAL A 19 3.361 -15.861 0.477 1.00 2.72 C ATOM 260 CG1 VAL A 19 4.469 -15.233 1.327 1.00 2.85 C ATOM 261 CG2 VAL A 19 2.653 -16.938 1.304 1.00 2.96 C ATOM 0 H VAL A 19 1.814 -16.342 -1.313 1.00 2.30 H new ATOM 0 HA VAL A 19 1.738 -14.484 0.913 1.00 2.41 H new ATOM 0 HB VAL A 19 3.797 -16.303 -0.419 1.00 2.72 H new ATOM 0 HG11 VAL A 19 5.184 -16.002 1.618 1.00 2.85 H new ATOM 0 HG12 VAL A 19 4.980 -14.463 0.748 1.00 2.85 H new ATOM 0 HG13 VAL A 19 4.033 -14.786 2.220 1.00 2.85 H new ATOM 0 HG21 VAL A 19 3.373 -17.701 1.601 1.00 2.96 H new ATOM 0 HG22 VAL A 19 2.216 -16.485 2.194 1.00 2.96 H new ATOM 0 HG23 VAL A 19 1.865 -17.396 0.706 1.00 2.96 H new ATOM 271 N ILE A 20 3.545 -13.581 -1.679 1.00 2.15 N ATOM 272 CA ILE A 20 4.199 -12.371 -2.258 1.00 2.02 C ATOM 273 C ILE A 20 3.126 -11.317 -2.534 1.00 1.71 C ATOM 274 O ILE A 20 3.307 -10.149 -2.264 1.00 1.61 O ATOM 275 CB ILE A 20 4.869 -12.846 -3.557 1.00 2.10 C ATOM 276 CG1 ILE A 20 6.049 -13.769 -3.222 1.00 2.45 C ATOM 277 CG2 ILE A 20 5.378 -11.645 -4.357 1.00 2.05 C ATOM 278 CD1 ILE A 20 7.133 -12.988 -2.472 1.00 2.61 C ATOM 0 H ILE A 20 3.531 -14.402 -2.284 1.00 2.15 H new ATOM 0 HA ILE A 20 4.935 -11.921 -1.591 1.00 2.02 H new ATOM 0 HB ILE A 20 4.136 -13.389 -4.153 1.00 2.10 H new ATOM 0 HG12 ILE A 20 5.705 -14.605 -2.613 1.00 2.45 H new ATOM 0 HG13 ILE A 20 6.462 -14.191 -4.138 1.00 2.45 H new ATOM 0 HG21 ILE A 20 5.851 -11.993 -5.275 1.00 2.05 H new ATOM 0 HG22 ILE A 20 4.541 -10.992 -4.605 1.00 2.05 H new ATOM 0 HG23 ILE A 20 6.105 -11.093 -3.761 1.00 2.05 H new ATOM 0 HD11 ILE A 20 7.965 -13.653 -2.239 1.00 2.61 H new ATOM 0 HD12 ILE A 20 7.487 -12.167 -3.096 1.00 2.61 H new ATOM 0 HD13 ILE A 20 6.719 -12.588 -1.547 1.00 2.61 H new ATOM 290 N LEU A 21 2.000 -11.737 -3.041 1.00 1.59 N ATOM 291 CA LEU A 21 0.888 -10.779 -3.308 1.00 1.34 C ATOM 292 C LEU A 21 0.435 -10.142 -1.991 1.00 1.37 C ATOM 293 O LEU A 21 0.357 -8.931 -1.884 1.00 1.25 O ATOM 294 CB LEU A 21 -0.233 -11.615 -3.936 1.00 1.33 C ATOM 295 CG LEU A 21 0.119 -11.937 -5.390 1.00 1.28 C ATOM 296 CD1 LEU A 21 -0.757 -13.088 -5.887 1.00 1.35 C ATOM 297 CD2 LEU A 21 -0.126 -10.703 -6.260 1.00 1.21 C ATOM 0 H LEU A 21 1.800 -12.707 -3.283 1.00 1.59 H new ATOM 0 HA LEU A 21 1.185 -9.966 -3.971 1.00 1.34 H new ATOM 0 HB2 LEU A 21 -0.372 -12.537 -3.372 1.00 1.33 H new ATOM 0 HB3 LEU A 21 -1.176 -11.069 -3.892 1.00 1.33 H new ATOM 0 HG LEU A 21 1.168 -12.225 -5.451 1.00 1.28 H new ATOM 0 HD11 LEU A 21 -0.505 -13.316 -6.923 1.00 1.35 H new ATOM 0 HD12 LEU A 21 -0.585 -13.969 -5.269 1.00 1.35 H new ATOM 0 HD13 LEU A 21 -1.806 -12.800 -5.824 1.00 1.35 H new ATOM 0 HD21 LEU A 21 0.125 -10.932 -7.296 1.00 1.21 H new ATOM 0 HD22 LEU A 21 -1.175 -10.415 -6.196 1.00 1.21 H new ATOM 0 HD23 LEU A 21 0.498 -9.881 -5.909 1.00 1.21 H new ATOM 309 N ILE A 22 0.157 -10.930 -0.970 1.00 1.58 N ATOM 310 CA ILE A 22 -0.256 -10.313 0.329 1.00 1.68 C ATOM 311 C ILE A 22 0.881 -9.443 0.862 1.00 1.67 C ATOM 312 O ILE A 22 0.667 -8.347 1.342 1.00 1.62 O ATOM 313 CB ILE A 22 -0.572 -11.463 1.292 1.00 1.98 C ATOM 314 CG1 ILE A 22 0.643 -12.371 1.500 1.00 2.16 C ATOM 315 CG2 ILE A 22 -1.734 -12.289 0.743 1.00 2.00 C ATOM 316 CD1 ILE A 22 0.373 -13.327 2.664 1.00 2.53 C ATOM 0 H ILE A 22 0.198 -11.949 -0.983 1.00 1.58 H new ATOM 0 HA ILE A 22 -1.132 -9.675 0.212 1.00 1.68 H new ATOM 0 HB ILE A 22 -0.842 -11.029 2.255 1.00 1.98 H new ATOM 0 HG12 ILE A 22 0.847 -12.937 0.591 1.00 2.16 H new ATOM 0 HG13 ILE A 22 1.528 -11.770 1.707 1.00 2.16 H new ATOM 0 HG21 ILE A 22 -1.956 -13.106 1.430 1.00 2.00 H new ATOM 0 HG22 ILE A 22 -2.614 -11.654 0.637 1.00 2.00 H new ATOM 0 HG23 ILE A 22 -1.462 -12.697 -0.230 1.00 2.00 H new ATOM 0 HD11 ILE A 22 1.238 -13.973 2.812 1.00 2.53 H new ATOM 0 HD12 ILE A 22 0.190 -12.752 3.572 1.00 2.53 H new ATOM 0 HD13 ILE A 22 -0.502 -13.937 2.438 1.00 2.53 H new ATOM 328 N ALA A 23 2.090 -9.917 0.746 1.00 1.76 N ATOM 329 CA ALA A 23 3.263 -9.113 1.208 1.00 1.79 C ATOM 330 C ALA A 23 3.307 -7.795 0.423 1.00 1.54 C ATOM 331 O ALA A 23 3.461 -6.733 0.995 1.00 1.50 O ATOM 332 CB ALA A 23 4.492 -9.975 0.905 1.00 1.99 C ATOM 0 H ALA A 23 2.320 -10.829 0.351 1.00 1.76 H new ATOM 0 HA ALA A 23 3.214 -8.861 2.267 1.00 1.79 H new ATOM 0 HB1 ALA A 23 5.393 -9.447 1.218 1.00 1.99 H new ATOM 0 HB2 ALA A 23 4.417 -10.918 1.446 1.00 1.99 H new ATOM 0 HB3 ALA A 23 4.542 -10.174 -0.166 1.00 1.99 H new ATOM 338 N ILE A 24 3.137 -7.858 -0.878 1.00 1.40 N ATOM 339 CA ILE A 24 3.131 -6.608 -1.697 1.00 1.23 C ATOM 340 C ILE A 24 2.004 -5.698 -1.196 1.00 1.08 C ATOM 341 O ILE A 24 2.210 -4.528 -0.943 1.00 1.04 O ATOM 342 CB ILE A 24 2.871 -7.066 -3.141 1.00 1.20 C ATOM 343 CG1 ILE A 24 4.154 -7.658 -3.731 1.00 1.47 C ATOM 344 CG2 ILE A 24 2.431 -5.874 -3.998 1.00 1.17 C ATOM 345 CD1 ILE A 24 3.821 -8.439 -5.004 1.00 1.52 C ATOM 0 H ILE A 24 3.003 -8.721 -1.405 1.00 1.40 H new ATOM 0 HA ILE A 24 4.064 -6.048 -1.630 1.00 1.23 H new ATOM 0 HB ILE A 24 2.084 -7.820 -3.136 1.00 1.20 H new ATOM 0 HG12 ILE A 24 4.864 -6.862 -3.956 1.00 1.47 H new ATOM 0 HG13 ILE A 24 4.631 -8.315 -3.004 1.00 1.47 H new ATOM 0 HG21 ILE A 24 2.249 -6.208 -5.020 1.00 1.17 H new ATOM 0 HG22 ILE A 24 1.516 -5.448 -3.587 1.00 1.17 H new ATOM 0 HG23 ILE A 24 3.215 -5.117 -3.998 1.00 1.17 H new ATOM 0 HD11 ILE A 24 4.735 -8.860 -5.423 1.00 1.52 H new ATOM 0 HD12 ILE A 24 3.127 -9.245 -4.765 1.00 1.52 H new ATOM 0 HD13 ILE A 24 3.363 -7.770 -5.732 1.00 1.52 H new ATOM 357 N ALA A 25 0.820 -6.243 -1.027 1.00 1.10 N ATOM 358 CA ALA A 25 -0.321 -5.423 -0.515 1.00 1.13 C ATOM 359 C ALA A 25 0.019 -4.865 0.869 1.00 1.26 C ATOM 360 O ALA A 25 -0.224 -3.707 1.159 1.00 1.27 O ATOM 361 CB ALA A 25 -1.510 -6.386 -0.446 1.00 1.28 C ATOM 0 H ALA A 25 0.597 -7.219 -1.222 1.00 1.10 H new ATOM 0 HA ALA A 25 -0.541 -4.568 -1.154 1.00 1.13 H new ATOM 0 HB1 ALA A 25 -2.388 -5.855 -0.078 1.00 1.28 H new ATOM 0 HB2 ALA A 25 -1.716 -6.781 -1.441 1.00 1.28 H new ATOM 0 HB3 ALA A 25 -1.274 -7.208 0.229 1.00 1.28 H new ATOM 367 N ALA A 26 0.606 -5.672 1.713 1.00 1.40 N ATOM 368 CA ALA A 26 0.995 -5.183 3.070 1.00 1.56 C ATOM 369 C ALA A 26 2.032 -4.065 2.917 1.00 1.41 C ATOM 370 O ALA A 26 1.924 -3.020 3.529 1.00 1.43 O ATOM 371 CB ALA A 26 1.591 -6.401 3.782 1.00 1.79 C ATOM 0 H ALA A 26 0.833 -6.648 1.522 1.00 1.40 H new ATOM 0 HA ALA A 26 0.157 -4.774 3.635 1.00 1.56 H new ATOM 0 HB1 ALA A 26 1.901 -6.119 4.788 1.00 1.79 H new ATOM 0 HB2 ALA A 26 0.842 -7.191 3.841 1.00 1.79 H new ATOM 0 HB3 ALA A 26 2.455 -6.762 3.224 1.00 1.79 H new ATOM 377 N LEU A 27 3.015 -4.269 2.072 1.00 1.32 N ATOM 378 CA LEU A 27 4.039 -3.209 1.836 1.00 1.22 C ATOM 379 C LEU A 27 3.343 -1.968 1.262 1.00 1.06 C ATOM 380 O LEU A 27 3.571 -0.856 1.707 1.00 1.06 O ATOM 381 CB LEU A 27 5.014 -3.820 0.820 1.00 1.27 C ATOM 382 CG LEU A 27 5.888 -2.720 0.211 1.00 1.27 C ATOM 383 CD1 LEU A 27 7.354 -3.148 0.247 1.00 1.53 C ATOM 384 CD2 LEU A 27 5.468 -2.479 -1.239 1.00 1.27 C ATOM 0 H LEU A 27 3.150 -5.126 1.536 1.00 1.32 H new ATOM 0 HA LEU A 27 4.560 -2.900 2.742 1.00 1.22 H new ATOM 0 HB2 LEU A 27 5.641 -4.567 1.308 1.00 1.27 H new ATOM 0 HB3 LEU A 27 4.460 -4.333 0.034 1.00 1.27 H new ATOM 0 HG LEU A 27 5.763 -1.803 0.786 1.00 1.27 H new ATOM 0 HD11 LEU A 27 7.973 -2.363 -0.187 1.00 1.53 H new ATOM 0 HD12 LEU A 27 7.658 -3.320 1.280 1.00 1.53 H new ATOM 0 HD13 LEU A 27 7.479 -4.067 -0.326 1.00 1.53 H new ATOM 0 HD21 LEU A 27 6.090 -1.696 -1.673 1.00 1.27 H new ATOM 0 HD22 LEU A 27 5.591 -3.399 -1.811 1.00 1.27 H new ATOM 0 HD23 LEU A 27 4.423 -2.170 -1.269 1.00 1.27 H new ATOM 396 N GLY A 28 2.471 -2.161 0.295 1.00 1.00 N ATOM 397 CA GLY A 28 1.726 -1.010 -0.299 1.00 0.99 C ATOM 398 C GLY A 28 0.941 -0.315 0.811 1.00 1.10 C ATOM 399 O GLY A 28 0.965 0.894 0.935 1.00 1.13 O ATOM 0 H GLY A 28 2.246 -3.071 -0.106 1.00 1.00 H new ATOM 0 HA2 GLY A 28 2.419 -0.311 -0.767 1.00 0.99 H new ATOM 0 HA3 GLY A 28 1.050 -1.359 -1.080 1.00 0.99 H new ATOM 403 N ALA A 29 0.269 -1.077 1.643 1.00 1.23 N ATOM 404 CA ALA A 29 -0.496 -0.466 2.773 1.00 1.44 C ATOM 405 C ALA A 29 0.473 0.254 3.710 1.00 1.42 C ATOM 406 O ALA A 29 0.237 1.377 4.123 1.00 1.50 O ATOM 407 CB ALA A 29 -1.175 -1.640 3.481 1.00 1.63 C ATOM 0 H ALA A 29 0.219 -2.094 1.587 1.00 1.23 H new ATOM 0 HA ALA A 29 -1.228 0.269 2.439 1.00 1.44 H new ATOM 0 HB1 ALA A 29 -1.757 -1.269 4.325 1.00 1.63 H new ATOM 0 HB2 ALA A 29 -1.836 -2.153 2.782 1.00 1.63 H new ATOM 0 HB3 ALA A 29 -0.417 -2.335 3.841 1.00 1.63 H new ATOM 413 N LEU A 30 1.573 -0.377 4.023 1.00 1.37 N ATOM 414 CA LEU A 30 2.591 0.266 4.909 1.00 1.40 C ATOM 415 C LEU A 30 3.023 1.601 4.290 1.00 1.23 C ATOM 416 O LEU A 30 3.126 2.605 4.967 1.00 1.28 O ATOM 417 CB LEU A 30 3.765 -0.721 4.961 1.00 1.43 C ATOM 418 CG LEU A 30 3.625 -1.630 6.183 1.00 1.73 C ATOM 419 CD1 LEU A 30 4.459 -2.896 5.978 1.00 1.84 C ATOM 420 CD2 LEU A 30 4.126 -0.889 7.425 1.00 1.98 C ATOM 0 H LEU A 30 1.813 -1.315 3.702 1.00 1.37 H new ATOM 0 HA LEU A 30 2.211 0.477 5.909 1.00 1.40 H new ATOM 0 HB2 LEU A 30 3.788 -1.321 4.051 1.00 1.43 H new ATOM 0 HB3 LEU A 30 4.708 -0.176 5.008 1.00 1.43 H new ATOM 0 HG LEU A 30 2.578 -1.903 6.315 1.00 1.73 H new ATOM 0 HD11 LEU A 30 4.358 -3.543 6.849 1.00 1.84 H new ATOM 0 HD12 LEU A 30 4.107 -3.424 5.092 1.00 1.84 H new ATOM 0 HD13 LEU A 30 5.506 -2.624 5.847 1.00 1.84 H new ATOM 0 HD21 LEU A 30 4.028 -1.534 8.298 1.00 1.98 H new ATOM 0 HD22 LEU A 30 5.173 -0.619 7.290 1.00 1.98 H new ATOM 0 HD23 LEU A 30 3.534 0.014 7.573 1.00 1.98 H new ATOM 432 N ILE A 31 3.238 1.620 2.997 1.00 1.07 N ATOM 433 CA ILE A 31 3.629 2.893 2.316 1.00 0.99 C ATOM 434 C ILE A 31 2.435 3.859 2.334 1.00 1.13 C ATOM 435 O ILE A 31 2.560 5.009 2.721 1.00 1.17 O ATOM 436 CB ILE A 31 3.999 2.478 0.883 1.00 0.95 C ATOM 437 CG1 ILE A 31 5.383 1.817 0.893 1.00 1.01 C ATOM 438 CG2 ILE A 31 4.031 3.708 -0.032 1.00 1.13 C ATOM 439 CD1 ILE A 31 5.587 1.028 -0.403 1.00 1.25 C ATOM 0 H ILE A 31 3.159 0.809 2.384 1.00 1.07 H new ATOM 0 HA ILE A 31 4.460 3.406 2.801 1.00 0.99 H new ATOM 0 HB ILE A 31 3.253 1.777 0.509 1.00 0.95 H new ATOM 0 HG12 ILE A 31 6.159 2.576 0.994 1.00 1.01 H new ATOM 0 HG13 ILE A 31 5.473 1.153 1.753 1.00 1.01 H new ATOM 0 HG21 ILE A 31 4.294 3.402 -1.044 1.00 1.13 H new ATOM 0 HG22 ILE A 31 3.049 4.181 -0.040 1.00 1.13 H new ATOM 0 HG23 ILE A 31 4.772 4.417 0.337 1.00 1.13 H new ATOM 0 HD11 ILE A 31 6.571 0.560 -0.393 1.00 1.25 H new ATOM 0 HD12 ILE A 31 4.820 0.258 -0.485 1.00 1.25 H new ATOM 0 HD13 ILE A 31 5.516 1.704 -1.255 1.00 1.25 H new ATOM 451 N LEU A 32 1.273 3.390 1.940 1.00 1.27 N ATOM 452 CA LEU A 32 0.059 4.266 1.953 1.00 1.51 C ATOM 453 C LEU A 32 -0.121 4.873 3.352 1.00 1.62 C ATOM 454 O LEU A 32 -0.345 6.059 3.498 1.00 1.74 O ATOM 455 CB LEU A 32 -1.110 3.333 1.608 1.00 1.66 C ATOM 456 CG LEU A 32 -1.503 3.513 0.141 1.00 2.01 C ATOM 457 CD1 LEU A 32 -2.045 2.192 -0.405 1.00 1.72 C ATOM 458 CD2 LEU A 32 -2.590 4.583 0.038 1.00 3.01 C ATOM 0 H LEU A 32 1.114 2.438 1.610 1.00 1.27 H new ATOM 0 HA LEU A 32 0.130 5.095 1.249 1.00 1.51 H new ATOM 0 HB2 LEU A 32 -0.827 2.297 1.793 1.00 1.66 H new ATOM 0 HB3 LEU A 32 -1.963 3.550 2.251 1.00 1.66 H new ATOM 0 HG LEU A 32 -0.630 3.817 -0.436 1.00 2.01 H new ATOM 0 HD11 LEU A 32 -2.326 2.318 -1.451 1.00 1.72 H new ATOM 0 HD12 LEU A 32 -1.277 1.423 -0.326 1.00 1.72 H new ATOM 0 HD13 LEU A 32 -2.920 1.891 0.172 1.00 1.72 H new ATOM 0 HD21 LEU A 32 -2.873 4.715 -1.006 1.00 3.01 H new ATOM 0 HD22 LEU A 32 -3.462 4.273 0.614 1.00 3.01 H new ATOM 0 HD23 LEU A 32 -2.211 5.526 0.433 1.00 3.01 H new ATOM 470 N GLY A 33 -0.002 4.071 4.383 1.00 1.63 N ATOM 471 CA GLY A 33 -0.144 4.597 5.776 1.00 1.80 C ATOM 472 C GLY A 33 1.063 5.479 6.128 1.00 1.68 C ATOM 473 O GLY A 33 0.920 6.510 6.758 1.00 1.84 O ATOM 0 H GLY A 33 0.188 3.071 4.318 1.00 1.63 H new ATOM 0 HA2 GLY A 33 -1.065 5.174 5.864 1.00 1.80 H new ATOM 0 HA3 GLY A 33 -0.218 3.769 6.481 1.00 1.80 H new ATOM 988 N GLN A 66 -10.028 2.831 -0.114 1.00 2.01 N ATOM 989 CA GLN A 66 -10.112 2.996 1.369 1.00 1.91 C ATOM 990 C GLN A 66 -11.267 3.944 1.698 1.00 1.87 C ATOM 991 O GLN A 66 -12.174 3.600 2.422 1.00 1.90 O ATOM 992 CB GLN A 66 -8.763 3.590 1.790 1.00 1.82 C ATOM 993 CG GLN A 66 -8.703 3.732 3.316 1.00 1.81 C ATOM 994 CD GLN A 66 -8.405 2.372 3.956 1.00 2.10 C ATOM 995 OE1 GLN A 66 -9.215 1.848 4.697 1.00 2.23 O ATOM 996 NE2 GLN A 66 -7.276 1.773 3.707 1.00 2.38 N ATOM 0 HA GLN A 66 -10.301 2.060 1.894 1.00 1.91 H new ATOM 0 HB2 GLN A 66 -7.951 2.950 1.444 1.00 1.82 H new ATOM 0 HB3 GLN A 66 -8.623 4.564 1.321 1.00 1.82 H new ATOM 0 HG2 GLN A 66 -7.932 4.451 3.593 1.00 1.81 H new ATOM 0 HG3 GLN A 66 -9.650 4.120 3.691 1.00 1.81 H new ATOM 0 HE21 GLN A 66 -6.594 2.208 3.086 1.00 2.38 H new ATOM 0 HE22 GLN A 66 -7.074 0.868 4.133 1.00 2.38 H new ATOM 1005 N TYR A 67 -11.254 5.117 1.134 1.00 1.85 N ATOM 1006 CA TYR A 67 -12.366 6.092 1.371 1.00 1.85 C ATOM 1007 C TYR A 67 -13.679 5.508 0.839 1.00 1.97 C ATOM 1008 O TYR A 67 -14.716 5.593 1.473 1.00 1.96 O ATOM 1009 CB TYR A 67 -11.967 7.341 0.581 1.00 1.88 C ATOM 1010 CG TYR A 67 -12.400 8.583 1.322 1.00 1.80 C ATOM 1011 CD1 TYR A 67 -13.669 9.127 1.098 1.00 2.04 C ATOM 1012 CD2 TYR A 67 -11.530 9.192 2.229 1.00 1.94 C ATOM 1013 CE1 TYR A 67 -14.065 10.281 1.782 1.00 2.20 C ATOM 1014 CE2 TYR A 67 -11.928 10.347 2.914 1.00 2.13 C ATOM 1015 CZ TYR A 67 -13.196 10.889 2.690 1.00 2.16 C ATOM 1016 OH TYR A 67 -13.586 12.027 3.364 1.00 2.52 O ATOM 0 H TYR A 67 -10.517 5.450 0.513 1.00 1.85 H new ATOM 0 HA TYR A 67 -12.517 6.315 2.427 1.00 1.85 H new ATOM 0 HB2 TYR A 67 -10.888 7.356 0.430 1.00 1.88 H new ATOM 0 HB3 TYR A 67 -12.427 7.318 -0.407 1.00 1.88 H new ATOM 0 HD1 TYR A 67 -14.343 8.656 0.397 1.00 2.04 H new ATOM 0 HD2 TYR A 67 -10.550 8.772 2.402 1.00 1.94 H new ATOM 0 HE1 TYR A 67 -15.044 10.702 1.608 1.00 2.20 H new ATOM 0 HE2 TYR A 67 -11.255 10.818 3.615 1.00 2.13 H new ATOM 0 HH TYR A 67 -12.863 12.320 3.957 1.00 2.52 H new ATOM 1026 N SER A 68 -13.620 4.903 -0.319 1.00 2.11 N ATOM 1027 CA SER A 68 -14.838 4.278 -0.935 1.00 2.28 C ATOM 1028 C SER A 68 -15.456 3.246 0.014 1.00 2.30 C ATOM 1029 O SER A 68 -16.656 3.087 0.065 1.00 2.37 O ATOM 1030 CB SER A 68 -14.333 3.576 -2.198 1.00 2.50 C ATOM 1031 OG SER A 68 -14.453 4.452 -3.310 1.00 2.18 O ATOM 0 H SER A 68 -12.769 4.812 -0.875 1.00 2.11 H new ATOM 0 HA SER A 68 -15.605 5.022 -1.148 1.00 2.28 H new ATOM 0 HB2 SER A 68 -13.293 3.276 -2.069 1.00 2.50 H new ATOM 0 HB3 SER A 68 -14.907 2.666 -2.375 1.00 2.50 H new ATOM 0 HG SER A 68 -14.128 4.002 -4.118 1.00 2.18 H new ATOM 1037 N ALA A 69 -14.644 2.533 0.756 1.00 2.27 N ATOM 1038 CA ALA A 69 -15.189 1.506 1.696 1.00 2.35 C ATOM 1039 C ALA A 69 -15.424 2.115 3.083 1.00 2.17 C ATOM 1040 O ALA A 69 -16.425 1.859 3.725 1.00 2.23 O ATOM 1041 CB ALA A 69 -14.117 0.417 1.752 1.00 2.49 C ATOM 0 H ALA A 69 -13.628 2.618 0.751 1.00 2.27 H new ATOM 0 HA ALA A 69 -16.151 1.114 1.366 1.00 2.35 H new ATOM 0 HB1 ALA A 69 -14.441 -0.378 2.424 1.00 2.49 H new ATOM 0 HB2 ALA A 69 -13.962 0.008 0.754 1.00 2.49 H new ATOM 0 HB3 ALA A 69 -13.183 0.844 2.118 1.00 2.49 H new ATOM 1047 N LYS A 70 -14.509 2.925 3.540 1.00 2.01 N ATOM 1048 CA LYS A 70 -14.661 3.566 4.885 1.00 1.90 C ATOM 1049 C LYS A 70 -15.857 4.519 4.889 1.00 1.82 C ATOM 1050 O LYS A 70 -16.643 4.526 5.813 1.00 1.82 O ATOM 1051 CB LYS A 70 -13.361 4.345 5.129 1.00 1.85 C ATOM 1052 CG LYS A 70 -12.165 3.386 5.159 1.00 2.00 C ATOM 1053 CD LYS A 70 -12.145 2.611 6.481 1.00 2.23 C ATOM 1054 CE LYS A 70 -12.031 1.109 6.195 1.00 2.56 C ATOM 1055 NZ LYS A 70 -10.579 0.789 6.343 1.00 2.56 N ATOM 0 H LYS A 70 -13.656 3.174 3.039 1.00 2.01 H new ATOM 0 HA LYS A 70 -14.837 2.823 5.663 1.00 1.90 H new ATOM 0 HB2 LYS A 70 -13.221 5.088 4.344 1.00 1.85 H new ATOM 0 HB3 LYS A 70 -13.425 4.887 6.072 1.00 1.85 H new ATOM 0 HG2 LYS A 70 -12.225 2.691 4.322 1.00 2.00 H new ATOM 0 HG3 LYS A 70 -11.237 3.946 5.042 1.00 2.00 H new ATOM 0 HD2 LYS A 70 -11.306 2.939 7.094 1.00 2.23 H new ATOM 0 HD3 LYS A 70 -13.053 2.816 7.048 1.00 2.23 H new ATOM 0 HE2 LYS A 70 -12.635 0.529 6.893 1.00 2.56 H new ATOM 0 HE3 LYS A 70 -12.386 0.871 5.192 1.00 2.56 H new ATOM 0 HZ1 LYS A 70 -10.440 -0.238 6.262 1.00 2.56 H new ATOM 0 HZ2 LYS A 70 -10.039 1.271 5.596 1.00 2.56 H new ATOM 0 HZ3 LYS A 70 -10.246 1.111 7.274 1.00 2.56 H new ATOM 1069 N GLY A 71 -15.993 5.313 3.859 1.00 1.81 N ATOM 1070 CA GLY A 71 -17.139 6.281 3.772 1.00 1.81 C ATOM 1071 C GLY A 71 -18.450 5.586 4.157 1.00 1.86 C ATOM 1072 O GLY A 71 -19.064 5.938 5.150 1.00 1.79 O ATOM 0 H GLY A 71 -15.355 5.336 3.064 1.00 1.81 H new ATOM 0 HA2 GLY A 71 -16.960 7.128 4.434 1.00 1.81 H new ATOM 0 HA3 GLY A 71 -17.213 6.678 2.760 1.00 1.81 H new ATOM 1076 N PRO A 72 -18.834 4.605 3.369 1.00 2.04 N ATOM 1077 CA PRO A 72 -20.079 3.846 3.652 1.00 2.18 C ATOM 1078 C PRO A 72 -19.930 3.037 4.947 1.00 2.16 C ATOM 1079 O PRO A 72 -20.851 2.958 5.735 1.00 2.19 O ATOM 1080 CB PRO A 72 -20.234 2.939 2.431 1.00 2.46 C ATOM 1081 CG PRO A 72 -18.851 2.802 1.889 1.00 2.45 C ATOM 1082 CD PRO A 72 -18.160 4.110 2.161 1.00 2.19 C ATOM 0 HA PRO A 72 -20.950 4.483 3.804 1.00 2.18 H new ATOM 0 HB2 PRO A 72 -20.650 1.970 2.707 1.00 2.46 H new ATOM 0 HB3 PRO A 72 -20.907 3.377 1.694 1.00 2.46 H new ATOM 0 HG2 PRO A 72 -18.325 1.977 2.369 1.00 2.45 H new ATOM 0 HG3 PRO A 72 -18.871 2.588 0.820 1.00 2.45 H new ATOM 0 HD2 PRO A 72 -17.091 3.974 2.324 1.00 2.19 H new ATOM 0 HD3 PRO A 72 -18.269 4.803 1.327 1.00 2.19 H new ATOM 1090 N CYS A 73 -18.776 2.455 5.193 1.00 2.19 N ATOM 1091 CA CYS A 73 -18.590 1.679 6.463 1.00 2.30 C ATOM 1092 C CYS A 73 -18.788 2.605 7.667 1.00 2.12 C ATOM 1093 O CYS A 73 -19.460 2.265 8.624 1.00 2.22 O ATOM 1094 CB CYS A 73 -17.155 1.148 6.418 1.00 2.39 C ATOM 1095 SG CYS A 73 -16.896 -0.008 7.788 1.00 2.78 S ATOM 0 H CYS A 73 -17.964 2.484 4.576 1.00 2.19 H new ATOM 0 HA CYS A 73 -19.309 0.865 6.558 1.00 2.30 H new ATOM 0 HB2 CYS A 73 -16.970 0.649 5.467 1.00 2.39 H new ATOM 0 HB3 CYS A 73 -16.448 1.974 6.487 1.00 2.39 H new ATOM 0 HG CYS A 73 -15.678 -0.461 7.749 1.00 2.78 H new ATOM 1101 N VAL A 74 -18.227 3.781 7.607 1.00 1.92 N ATOM 1102 CA VAL A 74 -18.387 4.760 8.726 1.00 1.84 C ATOM 1103 C VAL A 74 -19.826 5.275 8.749 1.00 1.76 C ATOM 1104 O VAL A 74 -20.480 5.275 9.773 1.00 1.84 O ATOM 1105 CB VAL A 74 -17.404 5.897 8.415 1.00 1.75 C ATOM 1106 CG1 VAL A 74 -17.708 7.106 9.303 1.00 1.80 C ATOM 1107 CG2 VAL A 74 -15.973 5.427 8.685 1.00 1.90 C ATOM 0 H VAL A 74 -17.660 4.111 6.826 1.00 1.92 H new ATOM 0 HA VAL A 74 -18.185 4.319 9.702 1.00 1.84 H new ATOM 0 HB VAL A 74 -17.509 6.179 7.367 1.00 1.75 H new ATOM 0 HG11 VAL A 74 -17.007 7.909 9.077 1.00 1.80 H new ATOM 0 HG12 VAL A 74 -18.725 7.449 9.115 1.00 1.80 H new ATOM 0 HG13 VAL A 74 -17.609 6.822 10.351 1.00 1.80 H new ATOM 0 HG21 VAL A 74 -15.277 6.236 8.464 1.00 1.90 H new ATOM 0 HG22 VAL A 74 -15.876 5.141 9.732 1.00 1.90 H new ATOM 0 HG23 VAL A 74 -15.746 4.569 8.052 1.00 1.90 H new ATOM 1117 N GLU A 75 -20.322 5.698 7.616 1.00 1.68 N ATOM 1118 CA GLU A 75 -21.730 6.210 7.541 1.00 1.68 C ATOM 1119 C GLU A 75 -22.718 5.120 7.985 1.00 1.82 C ATOM 1120 O GLU A 75 -23.770 5.399 8.543 1.00 1.83 O ATOM 1121 CB GLU A 75 -21.933 6.575 6.069 1.00 1.78 C ATOM 1122 CG GLU A 75 -22.983 7.684 5.948 1.00 1.90 C ATOM 1123 CD GLU A 75 -23.966 7.336 4.834 1.00 2.17 C ATOM 1124 OE1 GLU A 75 -23.598 7.475 3.681 1.00 2.39 O ATOM 1125 OE2 GLU A 75 -25.070 6.924 5.157 1.00 2.29 O ATOM 0 H GLU A 75 -19.812 5.712 6.732 1.00 1.68 H new ATOM 0 HA GLU A 75 -21.901 7.064 8.196 1.00 1.68 H new ATOM 0 HB2 GLU A 75 -20.990 6.906 5.634 1.00 1.78 H new ATOM 0 HB3 GLU A 75 -22.252 5.697 5.508 1.00 1.78 H new ATOM 0 HG2 GLU A 75 -23.514 7.801 6.893 1.00 1.90 H new ATOM 0 HG3 GLU A 75 -22.498 8.637 5.735 1.00 1.90 H new ATOM 1132 N ARG A 76 -22.383 3.882 7.748 1.00 2.02 N ATOM 1133 CA ARG A 76 -23.270 2.756 8.157 1.00 2.29 C ATOM 1134 C ARG A 76 -23.168 2.547 9.675 1.00 2.33 C ATOM 1135 O ARG A 76 -24.166 2.469 10.367 1.00 2.40 O ATOM 1136 CB ARG A 76 -22.737 1.537 7.388 1.00 2.57 C ATOM 1137 CG ARG A 76 -23.252 0.243 8.026 1.00 2.95 C ATOM 1138 CD ARG A 76 -24.770 0.164 7.854 1.00 3.10 C ATOM 1139 NE ARG A 76 -25.280 -0.399 9.141 1.00 3.23 N ATOM 1140 CZ ARG A 76 -26.454 -0.950 9.190 1.00 3.53 C ATOM 1141 NH1 ARG A 76 -26.585 -2.207 8.896 1.00 4.17 N ATOM 1142 NH2 ARG A 76 -27.487 -0.235 9.514 1.00 3.51 N ATOM 0 H ARG A 76 -21.521 3.599 7.282 1.00 2.02 H new ATOM 0 HA ARG A 76 -24.321 2.937 7.934 1.00 2.29 H new ATOM 0 HB2 ARG A 76 -23.053 1.588 6.346 1.00 2.57 H new ATOM 0 HB3 ARG A 76 -21.647 1.544 7.391 1.00 2.57 H new ATOM 0 HG2 ARG A 76 -22.776 -0.620 7.560 1.00 2.95 H new ATOM 0 HG3 ARG A 76 -22.993 0.217 9.084 1.00 2.95 H new ATOM 0 HD2 ARG A 76 -25.196 1.148 7.658 1.00 3.10 H new ATOM 0 HD3 ARG A 76 -25.038 -0.473 7.011 1.00 3.10 H new ATOM 0 HE ARG A 76 -24.705 -0.350 9.982 1.00 3.23 H new ATOM 0 HH11 ARG A 76 -25.768 -2.756 8.628 1.00 4.17 H new ATOM 0 HH12 ARG A 76 -27.505 -2.646 8.933 1.00 4.17 H new ATOM 0 HH21 ARG A 76 -27.374 0.756 9.729 1.00 3.51 H new ATOM 0 HH22 ARG A 76 -28.412 -0.664 9.554 1.00 3.51 H new ATOM 1156 N LYS A 77 -21.967 2.474 10.198 1.00 2.37 N ATOM 1157 CA LYS A 77 -21.801 2.288 11.675 1.00 2.54 C ATOM 1158 C LYS A 77 -22.245 3.563 12.410 1.00 2.36 C ATOM 1159 O LYS A 77 -22.689 3.517 13.544 1.00 2.52 O ATOM 1160 CB LYS A 77 -20.306 1.965 11.886 1.00 2.67 C ATOM 1161 CG LYS A 77 -19.498 3.231 12.219 1.00 2.55 C ATOM 1162 CD LYS A 77 -19.146 3.233 13.714 1.00 2.85 C ATOM 1163 CE LYS A 77 -19.394 4.622 14.314 1.00 3.16 C ATOM 1164 NZ LYS A 77 -20.418 4.401 15.375 1.00 3.47 N ATOM 0 H LYS A 77 -21.097 2.535 9.668 1.00 2.37 H new ATOM 0 HA LYS A 77 -22.416 1.483 12.077 1.00 2.54 H new ATOM 0 HB2 LYS A 77 -20.199 1.241 12.694 1.00 2.67 H new ATOM 0 HB3 LYS A 77 -19.902 1.500 10.986 1.00 2.67 H new ATOM 0 HG2 LYS A 77 -18.588 3.263 11.620 1.00 2.55 H new ATOM 0 HG3 LYS A 77 -20.076 4.121 11.969 1.00 2.55 H new ATOM 0 HD2 LYS A 77 -19.747 2.490 14.238 1.00 2.85 H new ATOM 0 HD3 LYS A 77 -18.102 2.951 13.850 1.00 2.85 H new ATOM 0 HE2 LYS A 77 -18.478 5.043 14.729 1.00 3.16 H new ATOM 0 HE3 LYS A 77 -19.752 5.321 13.558 1.00 3.16 H new ATOM 0 HZ1 LYS A 77 -20.581 5.289 15.891 1.00 3.47 H new ATOM 0 HZ2 LYS A 77 -21.308 4.086 14.938 1.00 3.47 H new ATOM 0 HZ3 LYS A 77 -20.081 3.673 16.037 1.00 3.47 H new ATOM 1178 N ALA A 78 -22.156 4.695 11.756 1.00 2.08 N ATOM 1179 CA ALA A 78 -22.602 5.972 12.385 1.00 2.00 C ATOM 1180 C ALA A 78 -24.125 5.981 12.461 1.00 1.97 C ATOM 1181 O ALA A 78 -24.699 6.182 13.512 1.00 2.09 O ATOM 1182 CB ALA A 78 -22.104 7.085 11.456 1.00 1.81 C ATOM 0 H ALA A 78 -21.791 4.787 10.808 1.00 2.08 H new ATOM 0 HA ALA A 78 -22.215 6.100 13.396 1.00 2.00 H new ATOM 0 HB1 ALA A 78 -22.398 8.054 11.859 1.00 1.81 H new ATOM 0 HB2 ALA A 78 -21.018 7.038 11.381 1.00 1.81 H new ATOM 0 HB3 ALA A 78 -22.542 6.956 10.466 1.00 1.81 H new ATOM 1188 N LYS A 79 -24.774 5.736 11.351 1.00 1.89 N ATOM 1189 CA LYS A 79 -26.274 5.707 11.337 1.00 1.94 C ATOM 1190 C LYS A 79 -26.792 4.493 12.127 1.00 2.22 C ATOM 1191 O LYS A 79 -27.897 4.500 12.629 1.00 2.32 O ATOM 1192 CB LYS A 79 -26.670 5.627 9.856 1.00 1.95 C ATOM 1193 CG LYS A 79 -26.515 4.189 9.339 1.00 2.19 C ATOM 1194 CD LYS A 79 -27.317 4.009 8.041 1.00 2.38 C ATOM 1195 CE LYS A 79 -27.087 5.201 7.100 1.00 2.25 C ATOM 1196 NZ LYS A 79 -25.637 5.156 6.751 1.00 2.18 N ATOM 0 H LYS A 79 -24.331 5.554 10.450 1.00 1.89 H new ATOM 0 HA LYS A 79 -26.708 6.588 11.810 1.00 1.94 H new ATOM 0 HB2 LYS A 79 -27.701 5.957 9.730 1.00 1.95 H new ATOM 0 HB3 LYS A 79 -26.046 6.301 9.269 1.00 1.95 H new ATOM 0 HG2 LYS A 79 -25.463 3.970 9.159 1.00 2.19 H new ATOM 0 HG3 LYS A 79 -26.864 3.483 10.093 1.00 2.19 H new ATOM 0 HD2 LYS A 79 -27.018 3.084 7.547 1.00 2.38 H new ATOM 0 HD3 LYS A 79 -28.379 3.919 8.271 1.00 2.38 H new ATOM 0 HE2 LYS A 79 -27.708 5.123 6.208 1.00 2.25 H new ATOM 0 HE3 LYS A 79 -27.345 6.141 7.587 1.00 2.25 H new ATOM 0 HZ1 LYS A 79 -25.478 5.671 5.862 1.00 2.18 H new ATOM 0 HZ2 LYS A 79 -25.083 5.599 7.512 1.00 2.18 H new ATOM 0 HZ3 LYS A 79 -25.338 4.167 6.636 1.00 2.18 H new ATOM 1210 N LEU A 80 -25.996 3.455 12.247 1.00 2.40 N ATOM 1211 CA LEU A 80 -26.432 2.259 13.020 1.00 2.76 C ATOM 1212 C LEU A 80 -26.293 2.539 14.516 1.00 2.87 C ATOM 1213 O LEU A 80 -27.133 2.164 15.309 1.00 3.10 O ATOM 1214 CB LEU A 80 -25.487 1.133 12.592 1.00 3.02 C ATOM 1215 CG LEU A 80 -25.749 -0.113 13.444 1.00 3.44 C ATOM 1216 CD1 LEU A 80 -26.684 -1.057 12.691 1.00 3.66 C ATOM 1217 CD2 LEU A 80 -24.423 -0.822 13.728 1.00 3.77 C ATOM 0 H LEU A 80 -25.063 3.390 11.840 1.00 2.40 H new ATOM 0 HA LEU A 80 -27.474 1.998 12.832 1.00 2.76 H new ATOM 0 HB2 LEU A 80 -25.635 0.902 11.537 1.00 3.02 H new ATOM 0 HB3 LEU A 80 -24.451 1.452 12.706 1.00 3.02 H new ATOM 0 HG LEU A 80 -26.213 0.179 14.386 1.00 3.44 H new ATOM 0 HD11 LEU A 80 -26.871 -1.944 13.297 1.00 3.66 H new ATOM 0 HD12 LEU A 80 -27.628 -0.550 12.489 1.00 3.66 H new ATOM 0 HD13 LEU A 80 -26.222 -1.352 11.749 1.00 3.66 H new ATOM 0 HD21 LEU A 80 -24.607 -1.709 14.334 1.00 3.77 H new ATOM 0 HD22 LEU A 80 -23.959 -1.116 12.787 1.00 3.77 H new ATOM 0 HD23 LEU A 80 -23.757 -0.147 14.266 1.00 3.77 H new