USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=6 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 Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=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 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 139:sc= 0.245 (180deg=-0.644!) USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= 0.896 (180deg=0.339) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.884 -21.372 -5.982 1.00 1.55 N ATOM 175 CA VAL A 14 -0.257 -20.517 -5.520 1.00 1.73 C ATOM 176 C VAL A 14 0.073 -19.918 -4.142 1.00 1.68 C ATOM 177 O VAL A 14 -0.203 -18.763 -3.875 1.00 1.73 O ATOM 178 CB VAL A 14 -1.462 -21.468 -5.435 1.00 1.98 C ATOM 179 CG1 VAL A 14 -2.628 -20.784 -4.709 1.00 2.34 C ATOM 180 CG2 VAL A 14 -1.910 -21.859 -6.848 1.00 2.30 C ATOM 0 HA VAL A 14 -0.458 -19.682 -6.191 1.00 1.73 H new ATOM 0 HB VAL A 14 -1.167 -22.359 -4.880 1.00 1.98 H new ATOM 0 HG11 VAL A 14 -3.475 -21.468 -4.656 1.00 2.34 H new ATOM 0 HG12 VAL A 14 -2.318 -20.510 -3.700 1.00 2.34 H new ATOM 0 HG13 VAL A 14 -2.920 -19.887 -5.255 1.00 2.34 H new ATOM 0 HG21 VAL A 14 -2.764 -22.533 -6.785 1.00 2.30 H new ATOM 0 HG22 VAL A 14 -2.194 -20.963 -7.400 1.00 2.30 H new ATOM 0 HG23 VAL A 14 -1.090 -22.359 -7.364 1.00 2.30 H new ATOM 190 N VAL A 15 0.687 -20.685 -3.274 1.00 1.65 N ATOM 191 CA VAL A 15 1.056 -20.142 -1.928 1.00 1.70 C ATOM 192 C VAL A 15 2.194 -19.128 -2.083 1.00 1.51 C ATOM 193 O VAL A 15 2.180 -18.064 -1.489 1.00 1.56 O ATOM 194 CB VAL A 15 1.500 -21.360 -1.100 1.00 1.82 C ATOM 195 CG1 VAL A 15 2.285 -20.895 0.132 1.00 1.95 C ATOM 196 CG2 VAL A 15 0.267 -22.145 -0.641 1.00 2.05 C ATOM 0 H VAL A 15 0.947 -21.658 -3.437 1.00 1.65 H new ATOM 0 HA VAL A 15 0.230 -19.623 -1.442 1.00 1.70 H new ATOM 0 HB VAL A 15 2.135 -21.996 -1.717 1.00 1.82 H new ATOM 0 HG11 VAL A 15 2.596 -21.763 0.714 1.00 1.95 H new ATOM 0 HG12 VAL A 15 3.165 -20.337 -0.187 1.00 1.95 H new ATOM 0 HG13 VAL A 15 1.652 -20.254 0.746 1.00 1.95 H new ATOM 0 HG21 VAL A 15 0.583 -23.008 -0.054 1.00 2.05 H new ATOM 0 HG22 VAL A 15 -0.366 -21.503 -0.029 1.00 2.05 H new ATOM 0 HG23 VAL A 15 -0.294 -22.484 -1.512 1.00 2.05 H new ATOM 206 N THR A 16 3.167 -19.450 -2.893 1.00 1.35 N ATOM 207 CA THR A 16 4.315 -18.513 -3.120 1.00 1.26 C ATOM 208 C THR A 16 3.803 -17.183 -3.677 1.00 1.21 C ATOM 209 O THR A 16 4.117 -16.125 -3.164 1.00 1.22 O ATOM 210 CB THR A 16 5.232 -19.216 -4.131 1.00 1.22 C ATOM 211 OG1 THR A 16 5.716 -20.427 -3.565 1.00 1.28 O ATOM 212 CG2 THR A 16 6.419 -18.314 -4.475 1.00 1.31 C ATOM 0 H THR A 16 3.219 -20.326 -3.412 1.00 1.35 H new ATOM 0 HA THR A 16 4.848 -18.286 -2.197 1.00 1.26 H new ATOM 0 HB THR A 16 4.666 -19.429 -5.038 1.00 1.22 H new ATOM 0 HG1 THR A 16 6.300 -20.879 -4.209 1.00 1.28 H new ATOM 0 HG21 THR A 16 7.065 -18.820 -5.193 1.00 1.31 H new ATOM 0 HG22 THR A 16 6.055 -17.383 -4.908 1.00 1.31 H new ATOM 0 HG23 THR A 16 6.985 -18.096 -3.569 1.00 1.31 H new ATOM 220 N VAL A 17 3.006 -17.230 -4.713 1.00 1.25 N ATOM 221 CA VAL A 17 2.463 -15.964 -5.295 1.00 1.33 C ATOM 222 C VAL A 17 1.503 -15.291 -4.298 1.00 1.41 C ATOM 223 O VAL A 17 1.463 -14.081 -4.206 1.00 1.43 O ATOM 224 CB VAL A 17 1.746 -16.356 -6.597 1.00 1.50 C ATOM 225 CG1 VAL A 17 2.735 -17.016 -7.562 1.00 1.50 C ATOM 226 CG2 VAL A 17 0.598 -17.327 -6.311 1.00 1.62 C ATOM 0 H VAL A 17 2.708 -18.086 -5.180 1.00 1.25 H new ATOM 0 HA VAL A 17 3.253 -15.242 -5.501 1.00 1.33 H new ATOM 0 HB VAL A 17 1.341 -15.450 -7.048 1.00 1.50 H new ATOM 0 HG11 VAL A 17 2.218 -17.290 -8.482 1.00 1.50 H new ATOM 0 HG12 VAL A 17 3.540 -16.318 -7.792 1.00 1.50 H new ATOM 0 HG13 VAL A 17 3.152 -17.911 -7.100 1.00 1.50 H new ATOM 0 HG21 VAL A 17 0.104 -17.592 -7.246 1.00 1.62 H new ATOM 0 HG22 VAL A 17 0.992 -18.228 -5.841 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -0.121 -16.854 -5.642 1.00 1.62 H new ATOM 236 N ILE A 18 0.752 -16.053 -3.530 1.00 1.52 N ATOM 237 CA ILE A 18 -0.169 -15.418 -2.528 1.00 1.68 C ATOM 238 C ILE A 18 0.652 -14.750 -1.428 1.00 1.59 C ATOM 239 O ILE A 18 0.353 -13.649 -1.017 1.00 1.62 O ATOM 240 CB ILE A 18 -1.041 -16.559 -1.980 1.00 1.89 C ATOM 241 CG1 ILE A 18 -2.190 -16.841 -2.959 1.00 2.07 C ATOM 242 CG2 ILE A 18 -1.625 -16.173 -0.617 1.00 2.08 C ATOM 243 CD1 ILE A 18 -3.103 -15.615 -3.068 1.00 2.24 C ATOM 0 H ILE A 18 0.737 -17.073 -3.553 1.00 1.52 H new ATOM 0 HA ILE A 18 -0.794 -14.640 -2.967 1.00 1.68 H new ATOM 0 HB ILE A 18 -0.423 -17.450 -1.865 1.00 1.89 H new ATOM 0 HG12 ILE A 18 -1.788 -17.093 -3.940 1.00 2.07 H new ATOM 0 HG13 ILE A 18 -2.764 -17.703 -2.619 1.00 2.07 H new ATOM 0 HG21 ILE A 18 -2.240 -16.990 -0.240 1.00 2.08 H new ATOM 0 HG22 ILE A 18 -0.814 -15.977 0.084 1.00 2.08 H new ATOM 0 HG23 ILE A 18 -2.237 -15.277 -0.724 1.00 2.08 H new ATOM 0 HD11 ILE A 18 -3.914 -15.826 -3.765 1.00 2.24 H new ATOM 0 HD12 ILE A 18 -3.518 -15.382 -2.087 1.00 2.24 H new ATOM 0 HD13 ILE A 18 -2.527 -14.763 -3.429 1.00 2.24 H new ATOM 255 N VAL A 19 1.700 -15.380 -0.979 1.00 1.53 N ATOM 256 CA VAL A 19 2.557 -14.738 0.067 1.00 1.54 C ATOM 257 C VAL A 19 3.199 -13.483 -0.540 1.00 1.39 C ATOM 258 O VAL A 19 3.207 -12.423 0.061 1.00 1.44 O ATOM 259 CB VAL A 19 3.622 -15.784 0.439 1.00 1.57 C ATOM 260 CG1 VAL A 19 4.741 -15.120 1.247 1.00 1.65 C ATOM 261 CG2 VAL A 19 2.983 -16.889 1.288 1.00 1.78 C ATOM 0 H VAL A 19 2.003 -16.305 -1.285 1.00 1.53 H new ATOM 0 HA VAL A 19 1.998 -14.436 0.953 1.00 1.54 H new ATOM 0 HB VAL A 19 4.034 -16.211 -0.475 1.00 1.57 H new ATOM 0 HG11 VAL A 19 5.493 -15.865 1.508 1.00 1.65 H new ATOM 0 HG12 VAL A 19 5.202 -14.333 0.651 1.00 1.65 H new ATOM 0 HG13 VAL A 19 4.326 -14.689 2.158 1.00 1.65 H new ATOM 0 HG21 VAL A 19 3.739 -17.629 1.551 1.00 1.78 H new ATOM 0 HG22 VAL A 19 2.569 -16.455 2.198 1.00 1.78 H new ATOM 0 HG23 VAL A 19 2.187 -17.370 0.720 1.00 1.78 H new ATOM 271 N ILE A 20 3.706 -13.592 -1.746 1.00 1.25 N ATOM 272 CA ILE A 20 4.316 -12.406 -2.423 1.00 1.19 C ATOM 273 C ILE A 20 3.245 -11.330 -2.606 1.00 1.24 C ATOM 274 O ILE A 20 3.453 -10.173 -2.288 1.00 1.24 O ATOM 275 CB ILE A 20 4.824 -12.933 -3.777 1.00 1.16 C ATOM 276 CG1 ILE A 20 6.044 -13.841 -3.557 1.00 1.23 C ATOM 277 CG2 ILE A 20 5.217 -11.768 -4.693 1.00 1.24 C ATOM 278 CD1 ILE A 20 7.217 -13.028 -3.000 1.00 1.42 C ATOM 0 H ILE A 20 3.723 -14.454 -2.291 1.00 1.25 H new ATOM 0 HA ILE A 20 5.128 -11.955 -1.852 1.00 1.19 H new ATOM 0 HB ILE A 20 4.023 -13.502 -4.250 1.00 1.16 H new ATOM 0 HG12 ILE A 20 5.788 -14.644 -2.866 1.00 1.23 H new ATOM 0 HG13 ILE A 20 6.332 -14.310 -4.498 1.00 1.23 H new ATOM 0 HG21 ILE A 20 5.574 -12.159 -5.646 1.00 1.24 H new ATOM 0 HG22 ILE A 20 4.349 -11.131 -4.864 1.00 1.24 H new ATOM 0 HG23 ILE A 20 6.008 -11.185 -4.221 1.00 1.24 H new ATOM 0 HD11 ILE A 20 8.075 -13.683 -2.849 1.00 1.42 H new ATOM 0 HD12 ILE A 20 7.482 -12.241 -3.706 1.00 1.42 H new ATOM 0 HD13 ILE A 20 6.930 -12.580 -2.048 1.00 1.42 H new ATOM 290 N LEU A 21 2.091 -11.713 -3.087 1.00 1.34 N ATOM 291 CA LEU A 21 0.978 -10.729 -3.262 1.00 1.48 C ATOM 292 C LEU A 21 0.622 -10.136 -1.896 1.00 1.53 C ATOM 293 O LEU A 21 0.547 -8.930 -1.736 1.00 1.55 O ATOM 294 CB LEU A 21 -0.197 -11.533 -3.836 1.00 1.65 C ATOM 295 CG LEU A 21 -0.091 -11.588 -5.362 1.00 1.73 C ATOM 296 CD1 LEU A 21 -0.938 -12.748 -5.891 1.00 1.92 C ATOM 297 CD2 LEU A 21 -0.605 -10.275 -5.953 1.00 1.94 C ATOM 0 H LEU A 21 1.869 -12.668 -3.368 1.00 1.34 H new ATOM 0 HA LEU A 21 1.242 -9.903 -3.923 1.00 1.48 H new ATOM 0 HB2 LEU A 21 -0.194 -12.543 -3.425 1.00 1.65 H new ATOM 0 HB3 LEU A 21 -1.141 -11.073 -3.544 1.00 1.65 H new ATOM 0 HG LEU A 21 0.950 -11.737 -5.649 1.00 1.73 H new ATOM 0 HD11 LEU A 21 -0.863 -12.787 -6.978 1.00 1.92 H new ATOM 0 HD12 LEU A 21 -0.576 -13.685 -5.468 1.00 1.92 H new ATOM 0 HD13 LEU A 21 -1.979 -12.599 -5.605 1.00 1.92 H new ATOM 0 HD21 LEU A 21 -0.531 -10.311 -7.040 1.00 1.94 H new ATOM 0 HD22 LEU A 21 -1.646 -10.129 -5.665 1.00 1.94 H new ATOM 0 HD23 LEU A 21 -0.005 -9.447 -5.576 1.00 1.94 H new ATOM 309 N ILE A 22 0.430 -10.977 -0.901 1.00 1.58 N ATOM 310 CA ILE A 22 0.113 -10.454 0.466 1.00 1.69 C ATOM 311 C ILE A 22 1.221 -9.494 0.913 1.00 1.58 C ATOM 312 O ILE A 22 0.959 -8.427 1.438 1.00 1.63 O ATOM 313 CB ILE A 22 0.051 -11.692 1.376 1.00 1.82 C ATOM 314 CG1 ILE A 22 -1.315 -12.371 1.225 1.00 2.02 C ATOM 315 CG2 ILE A 22 0.245 -11.283 2.843 1.00 1.97 C ATOM 316 CD1 ILE A 22 -1.294 -13.732 1.929 1.00 2.14 C ATOM 0 H ILE A 22 0.479 -11.993 -0.978 1.00 1.58 H new ATOM 0 HA ILE A 22 -0.825 -9.900 0.497 1.00 1.69 H new ATOM 0 HB ILE A 22 0.845 -12.380 1.085 1.00 1.82 H new ATOM 0 HG12 ILE A 22 -2.095 -11.741 1.653 1.00 2.02 H new ATOM 0 HG13 ILE A 22 -1.553 -12.500 0.169 1.00 2.02 H new ATOM 0 HG21 ILE A 22 0.199 -12.169 3.477 1.00 1.97 H new ATOM 0 HG22 ILE A 22 1.216 -10.802 2.961 1.00 1.97 H new ATOM 0 HG23 ILE A 22 -0.542 -10.587 3.134 1.00 1.97 H new ATOM 0 HD11 ILE A 22 -2.266 -14.213 1.820 1.00 2.14 H new ATOM 0 HD12 ILE A 22 -0.526 -14.362 1.481 1.00 2.14 H new ATOM 0 HD13 ILE A 22 -1.075 -13.591 2.987 1.00 2.14 H new ATOM 328 N ALA A 23 2.458 -9.864 0.689 1.00 1.45 N ATOM 329 CA ALA A 23 3.596 -8.974 1.081 1.00 1.41 C ATOM 330 C ALA A 23 3.551 -7.672 0.274 1.00 1.32 C ATOM 331 O ALA A 23 3.674 -6.594 0.825 1.00 1.35 O ATOM 332 CB ALA A 23 4.863 -9.773 0.764 1.00 1.38 C ATOM 0 H ALA A 23 2.729 -10.744 0.251 1.00 1.45 H new ATOM 0 HA ALA A 23 3.556 -8.692 2.133 1.00 1.41 H new ATOM 0 HB1 ALA A 23 5.741 -9.182 1.026 1.00 1.38 H new ATOM 0 HB2 ALA A 23 4.863 -10.698 1.340 1.00 1.38 H new ATOM 0 HB3 ALA A 23 4.888 -10.008 -0.300 1.00 1.38 H new ATOM 338 N ILE A 24 3.349 -7.761 -1.021 1.00 1.27 N ATOM 339 CA ILE A 24 3.265 -6.518 -1.854 1.00 1.28 C ATOM 340 C ILE A 24 2.113 -5.649 -1.333 1.00 1.37 C ATOM 341 O ILE A 24 2.271 -4.465 -1.107 1.00 1.38 O ATOM 342 CB ILE A 24 2.984 -7.000 -3.287 1.00 1.33 C ATOM 343 CG1 ILE A 24 4.272 -7.543 -3.911 1.00 1.33 C ATOM 344 CG2 ILE A 24 2.465 -5.837 -4.144 1.00 1.51 C ATOM 345 CD1 ILE A 24 3.931 -8.328 -5.180 1.00 1.44 C ATOM 0 H ILE A 24 3.239 -8.636 -1.534 1.00 1.27 H new ATOM 0 HA ILE A 24 4.176 -5.920 -1.816 1.00 1.28 H new ATOM 0 HB ILE A 24 2.231 -7.787 -3.250 1.00 1.33 H new ATOM 0 HG12 ILE A 24 4.948 -6.722 -4.149 1.00 1.33 H new ATOM 0 HG13 ILE A 24 4.790 -8.187 -3.200 1.00 1.33 H new ATOM 0 HG21 ILE A 24 2.270 -6.190 -5.157 1.00 1.51 H new ATOM 0 HG22 ILE A 24 1.543 -5.449 -3.711 1.00 1.51 H new ATOM 0 HG23 ILE A 24 3.213 -5.045 -4.174 1.00 1.51 H new ATOM 0 HD11 ILE A 24 4.847 -8.715 -5.626 1.00 1.44 H new ATOM 0 HD12 ILE A 24 3.271 -9.158 -4.928 1.00 1.44 H new ATOM 0 HD13 ILE A 24 3.431 -7.670 -5.891 1.00 1.44 H new ATOM 357 N ALA A 25 0.960 -6.245 -1.125 1.00 1.47 N ATOM 358 CA ALA A 25 -0.207 -5.470 -0.602 1.00 1.61 C ATOM 359 C ALA A 25 0.116 -4.899 0.780 1.00 1.60 C ATOM 360 O ALA A 25 -0.134 -3.739 1.052 1.00 1.63 O ATOM 361 CB ALA A 25 -1.360 -6.477 -0.527 1.00 1.76 C ATOM 0 H ALA A 25 0.780 -7.234 -1.296 1.00 1.47 H new ATOM 0 HA ALA A 25 -0.460 -4.622 -1.239 1.00 1.61 H new ATOM 0 HB1 ALA A 25 -2.254 -5.979 -0.150 1.00 1.76 H new ATOM 0 HB2 ALA A 25 -1.559 -6.877 -1.521 1.00 1.76 H new ATOM 0 HB3 ALA A 25 -1.088 -7.292 0.144 1.00 1.76 H new ATOM 367 N ALA A 26 0.690 -5.695 1.642 1.00 1.59 N ATOM 368 CA ALA A 26 1.053 -5.187 3.000 1.00 1.64 C ATOM 369 C ALA A 26 2.047 -4.030 2.853 1.00 1.54 C ATOM 370 O ALA A 26 1.851 -2.963 3.405 1.00 1.57 O ATOM 371 CB ALA A 26 1.689 -6.378 3.723 1.00 1.69 C ATOM 0 H ALA A 26 0.923 -6.672 1.467 1.00 1.59 H new ATOM 0 HA ALA A 26 0.195 -4.808 3.556 1.00 1.64 H new ATOM 0 HB1 ALA A 26 1.981 -6.079 4.729 1.00 1.69 H new ATOM 0 HB2 ALA A 26 0.969 -7.194 3.782 1.00 1.69 H new ATOM 0 HB3 ALA A 26 2.570 -6.710 3.173 1.00 1.69 H new ATOM 377 N LEU A 27 3.090 -4.225 2.082 1.00 1.44 N ATOM 378 CA LEU A 27 4.077 -3.130 1.859 1.00 1.39 C ATOM 379 C LEU A 27 3.351 -1.916 1.263 1.00 1.36 C ATOM 380 O LEU A 27 3.524 -0.797 1.711 1.00 1.37 O ATOM 381 CB LEU A 27 5.096 -3.712 0.868 1.00 1.35 C ATOM 382 CG LEU A 27 5.973 -2.593 0.299 1.00 1.31 C ATOM 383 CD1 LEU A 27 7.442 -3.012 0.355 1.00 1.43 C ATOM 384 CD2 LEU A 27 5.579 -2.324 -1.155 1.00 1.27 C ATOM 0 H LEU A 27 3.298 -5.098 1.598 1.00 1.44 H new ATOM 0 HA LEU A 27 4.565 -2.796 2.774 1.00 1.39 H new ATOM 0 HB2 LEU A 27 5.718 -4.454 1.368 1.00 1.35 H new ATOM 0 HB3 LEU A 27 4.576 -4.225 0.059 1.00 1.35 H new ATOM 0 HG LEU A 27 5.830 -1.689 0.890 1.00 1.31 H new ATOM 0 HD11 LEU A 27 8.064 -2.214 -0.051 1.00 1.43 H new ATOM 0 HD12 LEU A 27 7.727 -3.204 1.390 1.00 1.43 H new ATOM 0 HD13 LEU A 27 7.585 -3.918 -0.234 1.00 1.43 H new ATOM 0 HD21 LEU A 27 6.203 -1.527 -1.560 1.00 1.27 H new ATOM 0 HD22 LEU A 27 5.720 -3.230 -1.744 1.00 1.27 H new ATOM 0 HD23 LEU A 27 4.532 -2.022 -1.199 1.00 1.27 H new ATOM 396 N GLY A 28 2.513 -2.135 0.271 1.00 1.36 N ATOM 397 CA GLY A 28 1.753 -1.001 -0.339 1.00 1.40 C ATOM 398 C GLY A 28 0.930 -0.307 0.750 1.00 1.45 C ATOM 399 O GLY A 28 0.934 0.906 0.861 1.00 1.44 O ATOM 0 H GLY A 28 2.326 -3.050 -0.139 1.00 1.36 H new ATOM 0 HA2 GLY A 28 2.441 -0.292 -0.800 1.00 1.40 H new ATOM 0 HA3 GLY A 28 1.098 -1.369 -1.129 1.00 1.40 H new ATOM 403 N ALA A 29 0.244 -1.071 1.570 1.00 1.52 N ATOM 404 CA ALA A 29 -0.563 -0.460 2.671 1.00 1.61 C ATOM 405 C ALA A 29 0.360 0.254 3.661 1.00 1.57 C ATOM 406 O ALA A 29 0.082 1.356 4.098 1.00 1.58 O ATOM 407 CB ALA A 29 -1.289 -1.633 3.336 1.00 1.76 C ATOM 0 H ALA A 29 0.210 -2.089 1.523 1.00 1.52 H new ATOM 0 HA ALA A 29 -1.268 0.287 2.307 1.00 1.61 H new ATOM 0 HB1 ALA A 29 -1.904 -1.263 4.157 1.00 1.76 H new ATOM 0 HB2 ALA A 29 -1.924 -2.131 2.603 1.00 1.76 H new ATOM 0 HB3 ALA A 29 -0.557 -2.342 3.722 1.00 1.76 H new ATOM 413 N LEU A 30 1.463 -0.358 3.994 1.00 1.55 N ATOM 414 CA LEU A 30 2.429 0.288 4.933 1.00 1.56 C ATOM 415 C LEU A 30 2.932 1.598 4.315 1.00 1.46 C ATOM 416 O LEU A 30 3.037 2.608 4.986 1.00 1.50 O ATOM 417 CB LEU A 30 3.570 -0.723 5.100 1.00 1.58 C ATOM 418 CG LEU A 30 3.201 -1.732 6.190 1.00 1.64 C ATOM 419 CD1 LEU A 30 3.959 -3.038 5.957 1.00 1.71 C ATOM 420 CD2 LEU A 30 3.582 -1.162 7.558 1.00 1.79 C ATOM 0 H LEU A 30 1.739 -1.280 3.656 1.00 1.55 H new ATOM 0 HA LEU A 30 1.984 0.536 5.897 1.00 1.56 H new ATOM 0 HB2 LEU A 30 3.753 -1.240 4.158 1.00 1.58 H new ATOM 0 HB3 LEU A 30 4.492 -0.206 5.365 1.00 1.58 H new ATOM 0 HG LEU A 30 2.129 -1.924 6.158 1.00 1.64 H new ATOM 0 HD11 LEU A 30 3.695 -3.755 6.734 1.00 1.71 H new ATOM 0 HD12 LEU A 30 3.692 -3.445 4.982 1.00 1.71 H new ATOM 0 HD13 LEU A 30 5.032 -2.847 5.989 1.00 1.71 H new ATOM 0 HD21 LEU A 30 3.320 -1.879 8.336 1.00 1.79 H new ATOM 0 HD22 LEU A 30 4.655 -0.971 7.587 1.00 1.79 H new ATOM 0 HD23 LEU A 30 3.043 -0.230 7.727 1.00 1.79 H new ATOM 432 N ILE A 31 3.209 1.596 3.030 1.00 1.35 N ATOM 433 CA ILE A 31 3.673 2.854 2.356 1.00 1.28 C ATOM 434 C ILE A 31 2.525 3.870 2.342 1.00 1.32 C ATOM 435 O ILE A 31 2.681 4.999 2.770 1.00 1.35 O ATOM 436 CB ILE A 31 4.051 2.448 0.924 1.00 1.17 C ATOM 437 CG1 ILE A 31 5.276 1.527 0.955 1.00 1.83 C ATOM 438 CG2 ILE A 31 4.381 3.703 0.101 1.00 1.58 C ATOM 439 CD1 ILE A 31 5.457 0.867 -0.417 1.00 1.73 C ATOM 0 H ILE A 31 3.134 0.781 2.421 1.00 1.35 H new ATOM 0 HA ILE A 31 4.519 3.312 2.869 1.00 1.28 H new ATOM 0 HB ILE A 31 3.212 1.923 0.468 1.00 1.17 H new ATOM 0 HG12 ILE A 31 6.167 2.098 1.215 1.00 1.83 H new ATOM 0 HG13 ILE A 31 5.151 0.764 1.723 1.00 1.83 H new ATOM 0 HG21 ILE A 31 4.649 3.412 -0.915 1.00 1.58 H new ATOM 0 HG22 ILE A 31 3.511 4.359 0.073 1.00 1.58 H new ATOM 0 HG23 ILE A 31 5.218 4.230 0.560 1.00 1.58 H new ATOM 0 HD11 ILE A 31 6.328 0.212 -0.394 1.00 1.73 H new ATOM 0 HD12 ILE A 31 4.570 0.282 -0.659 1.00 1.73 H new ATOM 0 HD13 ILE A 31 5.602 1.637 -1.175 1.00 1.73 H new ATOM 451 N LEU A 32 1.367 3.467 1.868 1.00 1.36 N ATOM 452 CA LEU A 32 0.196 4.402 1.840 1.00 1.44 C ATOM 453 C LEU A 32 -0.076 4.942 3.251 1.00 1.52 C ATOM 454 O LEU A 32 -0.279 6.128 3.441 1.00 1.55 O ATOM 455 CB LEU A 32 -0.984 3.554 1.347 1.00 1.56 C ATOM 456 CG LEU A 32 -2.045 4.463 0.721 1.00 1.76 C ATOM 457 CD1 LEU A 32 -2.126 4.190 -0.784 1.00 1.98 C ATOM 458 CD2 LEU A 32 -3.404 4.175 1.366 1.00 2.17 C ATOM 0 H LEU A 32 1.184 2.533 1.501 1.00 1.36 H new ATOM 0 HA LEU A 32 0.368 5.264 1.196 1.00 1.44 H new ATOM 0 HB2 LEU A 32 -0.639 2.824 0.615 1.00 1.56 H new ATOM 0 HB3 LEU A 32 -1.414 2.994 2.177 1.00 1.56 H new ATOM 0 HG LEU A 32 -1.776 5.506 0.887 1.00 1.76 H new ATOM 0 HD11 LEU A 32 -2.881 4.837 -1.231 1.00 1.98 H new ATOM 0 HD12 LEU A 32 -1.158 4.391 -1.243 1.00 1.98 H new ATOM 0 HD13 LEU A 32 -2.397 3.147 -0.951 1.00 1.98 H new ATOM 0 HD21 LEU A 32 -4.162 4.821 0.922 1.00 2.17 H new ATOM 0 HD22 LEU A 32 -3.673 3.132 1.198 1.00 2.17 H new ATOM 0 HD23 LEU A 32 -3.346 4.367 2.437 1.00 2.17 H new ATOM 470 N GLY A 33 -0.069 4.076 4.240 1.00 1.60 N ATOM 471 CA GLY A 33 -0.315 4.521 5.647 1.00 1.73 C ATOM 472 C GLY A 33 0.798 5.475 6.092 1.00 1.68 C ATOM 473 O GLY A 33 0.532 6.577 6.533 1.00 1.76 O ATOM 0 H GLY A 33 0.098 3.076 4.130 1.00 1.60 H new ATOM 0 HA2 GLY A 33 -1.282 5.018 5.717 1.00 1.73 H new ATOM 0 HA3 GLY A 33 -0.352 3.657 6.310 1.00 1.73 H new ATOM 988 N GLN A 66 17.693 -1.848 -1.315 1.00 1.41 N ATOM 989 CA GLN A 66 17.191 -1.220 -0.052 1.00 1.37 C ATOM 990 C GLN A 66 18.373 -0.952 0.882 1.00 1.34 C ATOM 991 O GLN A 66 18.568 0.150 1.361 1.00 1.36 O ATOM 992 CB GLN A 66 16.227 -2.249 0.552 1.00 1.38 C ATOM 993 CG GLN A 66 15.615 -1.696 1.846 1.00 1.40 C ATOM 994 CD GLN A 66 14.108 -1.962 1.856 1.00 1.60 C ATOM 995 OE1 GLN A 66 13.680 -3.095 1.924 1.00 1.84 O ATOM 996 NE2 GLN A 66 13.279 -0.963 1.790 1.00 1.86 N ATOM 0 HA GLN A 66 16.691 -0.266 -0.219 1.00 1.37 H new ATOM 0 HB2 GLN A 66 15.438 -2.484 -0.162 1.00 1.38 H new ATOM 0 HB3 GLN A 66 16.757 -3.179 0.759 1.00 1.38 H new ATOM 0 HG2 GLN A 66 16.083 -2.166 2.711 1.00 1.40 H new ATOM 0 HG3 GLN A 66 15.806 -0.626 1.922 1.00 1.40 H new ATOM 0 HE21 GLN A 66 13.634 -0.009 1.733 1.00 1.86 H new ATOM 0 HE22 GLN A 66 12.273 -1.134 1.796 1.00 1.86 H new ATOM 1005 N TYR A 67 19.176 -1.953 1.114 1.00 1.34 N ATOM 1006 CA TYR A 67 20.371 -1.778 1.994 1.00 1.39 C ATOM 1007 C TYR A 67 21.382 -0.843 1.320 1.00 1.40 C ATOM 1008 O TYR A 67 21.983 0.001 1.958 1.00 1.41 O ATOM 1009 CB TYR A 67 20.956 -3.183 2.163 1.00 1.47 C ATOM 1010 CG TYR A 67 21.564 -3.320 3.543 1.00 1.32 C ATOM 1011 CD1 TYR A 67 22.905 -2.974 3.758 1.00 1.60 C ATOM 1012 CD2 TYR A 67 20.788 -3.795 4.609 1.00 1.39 C ATOM 1013 CE1 TYR A 67 23.466 -3.105 5.037 1.00 1.74 C ATOM 1014 CE2 TYR A 67 21.351 -3.923 5.886 1.00 1.59 C ATOM 1015 CZ TYR A 67 22.689 -3.579 6.098 1.00 1.67 C ATOM 1016 OH TYR A 67 23.244 -3.712 7.353 1.00 2.05 O ATOM 0 H TYR A 67 19.057 -2.891 0.731 1.00 1.34 H new ATOM 0 HA TYR A 67 20.118 -1.333 2.956 1.00 1.39 H new ATOM 0 HB2 TYR A 67 20.176 -3.931 2.023 1.00 1.47 H new ATOM 0 HB3 TYR A 67 21.714 -3.366 1.401 1.00 1.47 H new ATOM 0 HD1 TYR A 67 23.506 -2.607 2.939 1.00 1.60 H new ATOM 0 HD2 TYR A 67 19.754 -4.063 4.446 1.00 1.39 H new ATOM 0 HE1 TYR A 67 24.500 -2.839 5.202 1.00 1.74 H new ATOM 0 HE2 TYR A 67 20.751 -4.288 6.707 1.00 1.59 H new ATOM 0 HH TYR A 67 22.568 -4.053 7.975 1.00 2.05 H new ATOM 1026 N SER A 68 21.555 -0.988 0.031 1.00 1.45 N ATOM 1027 CA SER A 68 22.519 -0.110 -0.720 1.00 1.53 C ATOM 1028 C SER A 68 22.111 1.366 -0.605 1.00 1.48 C ATOM 1029 O SER A 68 22.952 2.240 -0.594 1.00 1.53 O ATOM 1030 CB SER A 68 22.444 -0.564 -2.181 1.00 1.65 C ATOM 1031 OG SER A 68 22.870 -1.918 -2.283 1.00 1.75 O ATOM 0 H SER A 68 21.070 -1.679 -0.541 1.00 1.45 H new ATOM 0 HA SER A 68 23.529 -0.196 -0.319 1.00 1.53 H new ATOM 0 HB2 SER A 68 21.424 -0.464 -2.551 1.00 1.65 H new ATOM 0 HB3 SER A 68 23.072 0.073 -2.803 1.00 1.65 H new ATOM 0 HG SER A 68 22.820 -2.207 -3.218 1.00 1.75 H new ATOM 1037 N ALA A 69 20.832 1.650 -0.520 1.00 1.43 N ATOM 1038 CA ALA A 69 20.384 3.073 -0.401 1.00 1.43 C ATOM 1039 C ALA A 69 20.199 3.458 1.075 1.00 1.36 C ATOM 1040 O ALA A 69 20.717 4.461 1.534 1.00 1.35 O ATOM 1041 CB ALA A 69 19.057 3.133 -1.159 1.00 1.51 C ATOM 0 H ALA A 69 20.082 0.959 -0.528 1.00 1.43 H new ATOM 0 HA ALA A 69 21.113 3.773 -0.809 1.00 1.43 H new ATOM 0 HB1 ALA A 69 18.661 4.148 -1.119 1.00 1.51 H new ATOM 0 HB2 ALA A 69 19.218 2.847 -2.198 1.00 1.51 H new ATOM 0 HB3 ALA A 69 18.345 2.447 -0.701 1.00 1.51 H new ATOM 1047 N LYS A 70 19.466 2.669 1.816 1.00 1.35 N ATOM 1048 CA LYS A 70 19.237 2.979 3.269 1.00 1.34 C ATOM 1049 C LYS A 70 20.565 3.112 4.015 1.00 1.27 C ATOM 1050 O LYS A 70 20.743 4.011 4.809 1.00 1.27 O ATOM 1051 CB LYS A 70 18.440 1.795 3.829 1.00 1.38 C ATOM 1052 CG LYS A 70 17.047 1.762 3.200 1.00 1.42 C ATOM 1053 CD LYS A 70 16.010 2.297 4.196 1.00 1.46 C ATOM 1054 CE LYS A 70 15.616 3.727 3.813 1.00 1.47 C ATOM 1055 NZ LYS A 70 14.873 4.250 5.001 1.00 1.32 N ATOM 0 H LYS A 70 19.012 1.819 1.481 1.00 1.35 H new ATOM 0 HA LYS A 70 18.706 3.923 3.389 1.00 1.34 H new ATOM 0 HB2 LYS A 70 18.964 0.862 3.622 1.00 1.38 H new ATOM 0 HB3 LYS A 70 18.357 1.881 4.912 1.00 1.38 H new ATOM 0 HG2 LYS A 70 17.035 2.364 2.291 1.00 1.42 H new ATOM 0 HG3 LYS A 70 16.793 0.742 2.911 1.00 1.42 H new ATOM 0 HD2 LYS A 70 15.129 1.655 4.199 1.00 1.46 H new ATOM 0 HD3 LYS A 70 16.419 2.280 5.206 1.00 1.46 H new ATOM 0 HE2 LYS A 70 16.495 4.335 3.597 1.00 1.47 H new ATOM 0 HE3 LYS A 70 14.992 3.739 2.919 1.00 1.47 H new ATOM 0 HZ1 LYS A 70 14.568 5.227 4.817 1.00 1.32 H new ATOM 0 HZ2 LYS A 70 14.039 3.655 5.178 1.00 1.32 H new ATOM 0 HZ3 LYS A 70 15.494 4.232 5.835 1.00 1.32 H new ATOM 1069 N GLY A 71 21.485 2.218 3.763 1.00 1.26 N ATOM 1070 CA GLY A 71 22.819 2.265 4.453 1.00 1.26 C ATOM 1071 C GLY A 71 23.387 3.688 4.427 1.00 1.23 C ATOM 1072 O GLY A 71 23.531 4.308 5.466 1.00 1.24 O ATOM 0 H GLY A 71 21.373 1.448 3.103 1.00 1.26 H new ATOM 0 HA2 GLY A 71 22.714 1.928 5.484 1.00 1.26 H new ATOM 0 HA3 GLY A 71 23.513 1.581 3.963 1.00 1.26 H new ATOM 1076 N PRO A 72 23.680 4.170 3.241 1.00 1.22 N ATOM 1077 CA PRO A 72 24.222 5.547 3.096 1.00 1.21 C ATOM 1078 C PRO A 72 23.162 6.583 3.503 1.00 1.21 C ATOM 1079 O PRO A 72 23.471 7.557 4.163 1.00 1.21 O ATOM 1080 CB PRO A 72 24.578 5.643 1.611 1.00 1.27 C ATOM 1081 CG PRO A 72 23.708 4.626 0.949 1.00 1.31 C ATOM 1082 CD PRO A 72 23.539 3.503 1.939 1.00 1.29 C ATOM 0 HA PRO A 72 25.083 5.746 3.734 1.00 1.21 H new ATOM 0 HB2 PRO A 72 24.386 6.643 1.221 1.00 1.27 H new ATOM 0 HB3 PRO A 72 25.634 5.432 1.442 1.00 1.27 H new ATOM 0 HG2 PRO A 72 22.743 5.056 0.681 1.00 1.31 H new ATOM 0 HG3 PRO A 72 24.164 4.266 0.027 1.00 1.31 H new ATOM 0 HD2 PRO A 72 22.566 3.022 1.838 1.00 1.29 H new ATOM 0 HD3 PRO A 72 24.294 2.729 1.801 1.00 1.29 H new ATOM 1090 N CYS A 73 21.914 6.377 3.140 1.00 1.25 N ATOM 1091 CA CYS A 73 20.849 7.354 3.539 1.00 1.34 C ATOM 1092 C CYS A 73 20.787 7.460 5.068 1.00 1.38 C ATOM 1093 O CYS A 73 20.743 8.543 5.625 1.00 1.44 O ATOM 1094 CB CYS A 73 19.539 6.793 2.975 1.00 1.45 C ATOM 1095 SG CYS A 73 18.223 8.024 3.160 1.00 1.81 S ATOM 0 H CYS A 73 21.591 5.581 2.590 1.00 1.25 H new ATOM 0 HA CYS A 73 21.044 8.356 3.156 1.00 1.34 H new ATOM 0 HB2 CYS A 73 19.665 6.535 1.923 1.00 1.45 H new ATOM 0 HB3 CYS A 73 19.269 5.876 3.498 1.00 1.45 H new ATOM 0 HG CYS A 73 17.113 7.548 2.679 1.00 1.81 H new ATOM 1101 N VAL A 74 20.814 6.343 5.746 1.00 1.39 N ATOM 1102 CA VAL A 74 20.786 6.364 7.243 1.00 1.50 C ATOM 1103 C VAL A 74 22.121 6.898 7.763 1.00 1.47 C ATOM 1104 O VAL A 74 22.163 7.758 8.623 1.00 1.58 O ATOM 1105 CB VAL A 74 20.559 4.905 7.671 1.00 1.53 C ATOM 1106 CG1 VAL A 74 20.822 4.751 9.174 1.00 1.69 C ATOM 1107 CG2 VAL A 74 19.110 4.504 7.375 1.00 1.62 C ATOM 0 H VAL A 74 20.854 5.413 5.329 1.00 1.39 H new ATOM 0 HA VAL A 74 20.004 7.009 7.644 1.00 1.50 H new ATOM 0 HB VAL A 74 21.243 4.264 7.116 1.00 1.53 H new ATOM 0 HG11 VAL A 74 20.659 3.714 9.468 1.00 1.69 H new ATOM 0 HG12 VAL A 74 21.852 5.032 9.394 1.00 1.69 H new ATOM 0 HG13 VAL A 74 20.143 5.397 9.730 1.00 1.69 H new ATOM 0 HG21 VAL A 74 18.950 3.470 7.679 1.00 1.62 H new ATOM 0 HG22 VAL A 74 18.432 5.154 7.929 1.00 1.62 H new ATOM 0 HG23 VAL A 74 18.916 4.603 6.307 1.00 1.62 H new ATOM 1117 N GLU A 75 23.206 6.409 7.223 1.00 1.36 N ATOM 1118 CA GLU A 75 24.560 6.896 7.650 1.00 1.38 C ATOM 1119 C GLU A 75 24.640 8.421 7.482 1.00 1.37 C ATOM 1120 O GLU A 75 25.172 9.130 8.320 1.00 1.48 O ATOM 1121 CB GLU A 75 25.539 6.192 6.702 1.00 1.32 C ATOM 1122 CG GLU A 75 26.976 6.667 6.970 1.00 1.57 C ATOM 1123 CD GLU A 75 27.666 6.990 5.643 1.00 1.81 C ATOM 1124 OE1 GLU A 75 28.266 6.093 5.078 1.00 1.88 O ATOM 1125 OE2 GLU A 75 27.586 8.133 5.217 1.00 2.17 O ATOM 0 H GLU A 75 23.217 5.689 6.500 1.00 1.36 H new ATOM 0 HA GLU A 75 24.779 6.680 8.696 1.00 1.38 H new ATOM 0 HB2 GLU A 75 25.474 5.112 6.838 1.00 1.32 H new ATOM 0 HB3 GLU A 75 25.267 6.400 5.667 1.00 1.32 H new ATOM 0 HG2 GLU A 75 26.965 7.549 7.610 1.00 1.57 H new ATOM 0 HG3 GLU A 75 27.532 5.895 7.502 1.00 1.57 H new ATOM 1132 N ARG A 76 24.098 8.917 6.405 1.00 1.31 N ATOM 1133 CA ARG A 76 24.111 10.384 6.144 1.00 1.34 C ATOM 1134 C ARG A 76 23.170 11.114 7.113 1.00 1.47 C ATOM 1135 O ARG A 76 23.542 12.102 7.716 1.00 1.53 O ATOM 1136 CB ARG A 76 23.628 10.528 4.696 1.00 1.33 C ATOM 1137 CG ARG A 76 24.151 11.838 4.105 1.00 1.34 C ATOM 1138 CD ARG A 76 23.106 12.938 4.292 1.00 1.54 C ATOM 1139 NE ARG A 76 23.905 14.171 4.577 1.00 1.49 N ATOM 1140 CZ ARG A 76 23.880 15.195 3.772 1.00 1.52 C ATOM 1141 NH1 ARG A 76 22.854 15.408 3.005 1.00 1.73 N ATOM 1142 NH2 ARG A 76 24.881 16.022 3.758 1.00 1.58 N ATOM 0 H ARG A 76 23.640 8.360 5.684 1.00 1.31 H new ATOM 0 HA ARG A 76 25.099 10.822 6.290 1.00 1.34 H new ATOM 0 HB2 ARG A 76 23.977 9.684 4.101 1.00 1.33 H new ATOM 0 HB3 ARG A 76 22.539 10.512 4.663 1.00 1.33 H new ATOM 0 HG2 ARG A 76 25.084 12.122 4.592 1.00 1.34 H new ATOM 0 HG3 ARG A 76 24.372 11.708 3.045 1.00 1.34 H new ATOM 0 HD2 ARG A 76 22.494 13.060 3.398 1.00 1.54 H new ATOM 0 HD3 ARG A 76 22.428 12.706 5.113 1.00 1.54 H new ATOM 0 HE ARG A 76 24.481 14.210 5.418 1.00 1.49 H new ATOM 0 HH11 ARG A 76 22.058 14.771 3.029 1.00 1.73 H new ATOM 0 HH12 ARG A 76 22.844 16.213 2.378 1.00 1.73 H new ATOM 0 HH21 ARG A 76 25.679 15.867 4.374 1.00 1.58 H new ATOM 0 HH22 ARG A 76 24.869 16.826 3.131 1.00 1.58 H new ATOM 1156 N LYS A 77 21.958 10.636 7.280 1.00 1.55 N ATOM 1157 CA LYS A 77 21.019 11.320 8.226 1.00 1.73 C ATOM 1158 C LYS A 77 21.524 11.172 9.668 1.00 1.85 C ATOM 1159 O LYS A 77 21.318 12.042 10.505 1.00 1.98 O ATOM 1160 CB LYS A 77 19.640 10.659 8.008 1.00 1.85 C ATOM 1161 CG LYS A 77 19.413 9.483 8.973 1.00 2.02 C ATOM 1162 CD LYS A 77 18.322 9.852 9.989 1.00 2.28 C ATOM 1163 CE LYS A 77 18.900 9.849 11.412 1.00 2.47 C ATOM 1164 NZ LYS A 77 19.214 11.281 11.716 1.00 2.64 N ATOM 0 H LYS A 77 21.583 9.813 6.809 1.00 1.55 H new ATOM 0 HA LYS A 77 20.950 12.392 8.044 1.00 1.73 H new ATOM 0 HB2 LYS A 77 18.854 11.402 8.148 1.00 1.85 H new ATOM 0 HB3 LYS A 77 19.565 10.306 6.980 1.00 1.85 H new ATOM 0 HG2 LYS A 77 19.119 8.594 8.415 1.00 2.02 H new ATOM 0 HG3 LYS A 77 20.341 9.241 9.492 1.00 2.02 H new ATOM 0 HD2 LYS A 77 17.915 10.836 9.756 1.00 2.28 H new ATOM 0 HD3 LYS A 77 17.497 9.142 9.922 1.00 2.28 H new ATOM 0 HE2 LYS A 77 18.183 9.444 12.126 1.00 2.47 H new ATOM 0 HE3 LYS A 77 19.795 9.229 11.471 1.00 2.47 H new ATOM 0 HZ1 LYS A 77 18.942 11.496 12.696 1.00 2.64 H new ATOM 0 HZ2 LYS A 77 20.234 11.446 11.596 1.00 2.64 H new ATOM 0 HZ3 LYS A 77 18.685 11.898 11.067 1.00 2.64 H new ATOM 1178 N ALA A 78 22.189 10.087 9.969 1.00 1.84 N ATOM 1179 CA ALA A 78 22.724 9.885 11.351 1.00 2.01 C ATOM 1180 C ALA A 78 23.883 10.850 11.591 1.00 1.99 C ATOM 1181 O ALA A 78 23.936 11.540 12.594 1.00 2.14 O ATOM 1182 CB ALA A 78 23.204 8.432 11.393 1.00 2.02 C ATOM 0 H ALA A 78 22.386 9.329 9.316 1.00 1.84 H new ATOM 0 HA ALA A 78 21.978 10.075 12.123 1.00 2.01 H new ATOM 0 HB1 ALA A 78 23.611 8.212 12.380 1.00 2.02 H new ATOM 0 HB2 ALA A 78 22.366 7.766 11.189 1.00 2.02 H new ATOM 0 HB3 ALA A 78 23.978 8.283 10.640 1.00 2.02 H new ATOM 1188 N LYS A 79 24.798 10.921 10.664 1.00 1.83 N ATOM 1189 CA LYS A 79 25.947 11.861 10.825 1.00 1.85 C ATOM 1190 C LYS A 79 25.460 13.310 10.662 1.00 1.83 C ATOM 1191 O LYS A 79 25.942 14.200 11.324 1.00 1.94 O ATOM 1192 CB LYS A 79 26.969 11.462 9.744 1.00 1.72 C ATOM 1193 CG LYS A 79 26.604 12.082 8.392 1.00 1.46 C ATOM 1194 CD LYS A 79 27.784 11.935 7.424 1.00 1.39 C ATOM 1195 CE LYS A 79 27.993 10.456 7.082 1.00 1.44 C ATOM 1196 NZ LYS A 79 28.425 10.436 5.652 1.00 1.84 N ATOM 0 H LYS A 79 24.802 10.372 9.805 1.00 1.83 H new ATOM 0 HA LYS A 79 26.403 11.803 11.813 1.00 1.85 H new ATOM 0 HB2 LYS A 79 27.965 11.789 10.041 1.00 1.72 H new ATOM 0 HB3 LYS A 79 27.003 10.376 9.653 1.00 1.72 H new ATOM 0 HG2 LYS A 79 25.721 11.592 7.982 1.00 1.46 H new ATOM 0 HG3 LYS A 79 26.354 13.135 8.519 1.00 1.46 H new ATOM 0 HD2 LYS A 79 27.593 12.505 6.514 1.00 1.39 H new ATOM 0 HD3 LYS A 79 28.688 12.345 7.873 1.00 1.39 H new ATOM 0 HE2 LYS A 79 28.748 10.007 7.727 1.00 1.44 H new ATOM 0 HE3 LYS A 79 27.074 9.887 7.223 1.00 1.44 H new ATOM 0 HZ1 LYS A 79 28.246 9.494 5.248 1.00 1.84 H new ATOM 0 HZ2 LYS A 79 27.889 11.149 5.117 1.00 1.84 H new ATOM 0 HZ3 LYS A 79 29.441 10.651 5.593 1.00 1.84 H new ATOM 1210 N LEU A 80 24.495 13.552 9.803 1.00 1.75 N ATOM 1211 CA LEU A 80 23.980 14.947 9.631 1.00 1.81 C ATOM 1212 C LEU A 80 23.329 15.429 10.934 1.00 2.00 C ATOM 1213 O LEU A 80 23.577 16.527 11.391 1.00 2.09 O ATOM 1214 CB LEU A 80 22.952 14.868 8.492 1.00 1.79 C ATOM 1215 CG LEU A 80 22.345 16.254 8.239 1.00 1.90 C ATOM 1216 CD1 LEU A 80 22.859 16.806 6.906 1.00 2.12 C ATOM 1217 CD2 LEU A 80 20.818 16.141 8.189 1.00 2.03 C ATOM 0 H LEU A 80 24.046 12.848 9.218 1.00 1.75 H new ATOM 0 HA LEU A 80 24.774 15.656 9.395 1.00 1.81 H new ATOM 0 HB2 LEU A 80 23.430 14.499 7.584 1.00 1.79 H new ATOM 0 HB3 LEU A 80 22.166 14.158 8.749 1.00 1.79 H new ATOM 0 HG LEU A 80 22.635 16.928 9.045 1.00 1.90 H new ATOM 0 HD11 LEU A 80 22.426 17.791 6.729 1.00 2.12 H new ATOM 0 HD12 LEU A 80 23.945 16.888 6.941 1.00 2.12 H new ATOM 0 HD13 LEU A 80 22.572 16.133 6.098 1.00 2.12 H new ATOM 0 HD21 LEU A 80 20.386 17.125 8.009 1.00 2.03 H new ATOM 0 HD22 LEU A 80 20.529 15.466 7.384 1.00 2.03 H new ATOM 0 HD23 LEU A 80 20.451 15.751 9.138 1.00 2.03 H new