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 Set 1.1: A 66 GLN : amide:sc= 0.142 K(o=0.69,f=-20!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -144: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+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 136:sc= 0.857 (180deg=0.241) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 0.954 -21.537 -5.861 1.00 0.96 N ATOM 175 CA VAL A 14 -0.191 -20.669 -5.442 1.00 0.97 C ATOM 176 C VAL A 14 0.139 -20.013 -4.096 1.00 0.75 C ATOM 177 O VAL A 14 -0.126 -18.848 -3.885 1.00 0.79 O ATOM 178 CB VAL A 14 -1.393 -21.615 -5.314 1.00 1.09 C ATOM 179 CG1 VAL A 14 -2.520 -20.928 -4.534 1.00 1.31 C ATOM 180 CG2 VAL A 14 -1.906 -21.986 -6.709 1.00 1.41 C ATOM 0 HA VAL A 14 -0.397 -19.868 -6.152 1.00 0.97 H new ATOM 0 HB VAL A 14 -1.079 -22.514 -4.783 1.00 1.09 H new ATOM 0 HG11 VAL A 14 -3.369 -21.606 -4.448 1.00 1.31 H new ATOM 0 HG12 VAL A 14 -2.164 -20.663 -3.538 1.00 1.31 H new ATOM 0 HG13 VAL A 14 -2.829 -20.025 -5.061 1.00 1.31 H new ATOM 0 HG21 VAL A 14 -2.759 -22.658 -6.616 1.00 1.41 H new ATOM 0 HG22 VAL A 14 -2.211 -21.082 -7.237 1.00 1.41 H new ATOM 0 HG23 VAL A 14 -1.113 -22.482 -7.268 1.00 1.41 H new ATOM 190 N VAL A 15 0.742 -20.748 -3.193 1.00 0.67 N ATOM 191 CA VAL A 15 1.111 -20.152 -1.869 1.00 0.74 C ATOM 192 C VAL A 15 2.219 -19.114 -2.066 1.00 0.79 C ATOM 193 O VAL A 15 2.198 -18.047 -1.481 1.00 0.80 O ATOM 194 CB VAL A 15 1.591 -21.328 -1.003 1.00 0.99 C ATOM 195 CG1 VAL A 15 2.259 -20.803 0.272 1.00 1.30 C ATOM 196 CG2 VAL A 15 0.393 -22.202 -0.612 1.00 1.15 C ATOM 0 H VAL A 15 0.994 -21.729 -3.314 1.00 0.67 H new ATOM 0 HA VAL A 15 0.275 -19.639 -1.394 1.00 0.74 H new ATOM 0 HB VAL A 15 2.309 -21.915 -1.575 1.00 0.99 H new ATOM 0 HG11 VAL A 15 2.596 -21.643 0.879 1.00 1.30 H new ATOM 0 HG12 VAL A 15 3.114 -20.182 0.005 1.00 1.30 H new ATOM 0 HG13 VAL A 15 1.543 -20.209 0.840 1.00 1.30 H new ATOM 0 HG21 VAL A 15 0.735 -23.035 0.002 1.00 1.15 H new ATOM 0 HG22 VAL A 15 -0.324 -21.606 -0.047 1.00 1.15 H new ATOM 0 HG23 VAL A 15 -0.085 -22.587 -1.512 1.00 1.15 H new ATOM 206 N THR A 16 3.176 -19.413 -2.900 1.00 0.97 N ATOM 207 CA THR A 16 4.284 -18.440 -3.160 1.00 1.24 C ATOM 208 C THR A 16 3.711 -17.145 -3.735 1.00 1.18 C ATOM 209 O THR A 16 4.042 -16.059 -3.296 1.00 1.25 O ATOM 210 CB THR A 16 5.210 -19.125 -4.175 1.00 1.53 C ATOM 211 OG1 THR A 16 5.809 -20.264 -3.575 1.00 1.64 O ATOM 212 CG2 THR A 16 6.312 -18.160 -4.617 1.00 1.90 C ATOM 0 H THR A 16 3.242 -20.290 -3.416 1.00 0.97 H new ATOM 0 HA THR A 16 4.823 -18.178 -2.250 1.00 1.24 H new ATOM 0 HB THR A 16 4.622 -19.425 -5.042 1.00 1.53 H new ATOM 0 HG1 THR A 16 6.399 -20.703 -4.223 1.00 1.64 H new ATOM 0 HG21 THR A 16 6.963 -18.656 -5.337 1.00 1.90 H new ATOM 0 HG22 THR A 16 5.862 -17.282 -5.080 1.00 1.90 H new ATOM 0 HG23 THR A 16 6.897 -17.854 -3.750 1.00 1.90 H new ATOM 220 N VAL A 17 2.852 -17.252 -4.714 1.00 1.17 N ATOM 221 CA VAL A 17 2.260 -16.025 -5.321 1.00 1.31 C ATOM 222 C VAL A 17 1.335 -15.300 -4.326 1.00 1.09 C ATOM 223 O VAL A 17 1.382 -14.089 -4.235 1.00 1.19 O ATOM 224 CB VAL A 17 1.505 -16.481 -6.581 1.00 1.52 C ATOM 225 CG1 VAL A 17 2.476 -17.163 -7.549 1.00 1.77 C ATOM 226 CG2 VAL A 17 0.387 -17.462 -6.226 1.00 1.36 C ATOM 0 H VAL A 17 2.536 -18.133 -5.118 1.00 1.17 H new ATOM 0 HA VAL A 17 3.034 -15.303 -5.582 1.00 1.31 H new ATOM 0 HB VAL A 17 1.066 -15.600 -7.048 1.00 1.52 H new ATOM 0 HG11 VAL A 17 1.936 -17.484 -8.440 1.00 1.77 H new ATOM 0 HG12 VAL A 17 3.260 -16.461 -7.833 1.00 1.77 H new ATOM 0 HG13 VAL A 17 2.924 -18.030 -7.064 1.00 1.77 H new ATOM 0 HG21 VAL A 17 -0.131 -17.768 -7.135 1.00 1.36 H new ATOM 0 HG22 VAL A 17 0.813 -18.339 -5.738 1.00 1.36 H new ATOM 0 HG23 VAL A 17 -0.320 -16.979 -5.551 1.00 1.36 H new ATOM 236 N ILE A 18 0.511 -15.995 -3.560 1.00 0.88 N ATOM 237 CA ILE A 18 -0.361 -15.258 -2.587 1.00 0.85 C ATOM 238 C ILE A 18 0.495 -14.650 -1.478 1.00 0.69 C ATOM 239 O ILE A 18 0.215 -13.572 -1.002 1.00 0.74 O ATOM 240 CB ILE A 18 -1.388 -16.262 -2.034 1.00 0.94 C ATOM 241 CG1 ILE A 18 -0.698 -17.432 -1.327 1.00 0.82 C ATOM 242 CG2 ILE A 18 -2.255 -16.802 -3.174 1.00 1.18 C ATOM 243 CD1 ILE A 18 -1.535 -17.868 -0.120 1.00 1.28 C ATOM 0 H ILE A 18 0.409 -17.010 -3.568 1.00 0.88 H new ATOM 0 HA ILE A 18 -0.886 -14.434 -3.070 1.00 0.85 H new ATOM 0 HB ILE A 18 -2.010 -15.738 -1.309 1.00 0.94 H new ATOM 0 HG12 ILE A 18 -0.575 -18.266 -2.018 1.00 0.82 H new ATOM 0 HG13 ILE A 18 0.300 -17.137 -1.003 1.00 0.82 H new ATOM 0 HG21 ILE A 18 -2.980 -17.512 -2.775 1.00 1.18 H new ATOM 0 HG22 ILE A 18 -2.782 -15.977 -3.653 1.00 1.18 H new ATOM 0 HG23 ILE A 18 -1.622 -17.303 -3.907 1.00 1.18 H new ATOM 0 HD11 ILE A 18 -1.043 -18.701 0.382 1.00 1.28 H new ATOM 0 HD12 ILE A 18 -1.635 -17.033 0.574 1.00 1.28 H new ATOM 0 HD13 ILE A 18 -2.524 -18.180 -0.457 1.00 1.28 H new ATOM 255 N VAL A 19 1.562 -15.300 -1.097 1.00 0.67 N ATOM 256 CA VAL A 19 2.455 -14.710 -0.052 1.00 0.81 C ATOM 257 C VAL A 19 3.142 -13.475 -0.649 1.00 0.88 C ATOM 258 O VAL A 19 3.200 -12.427 -0.032 1.00 0.89 O ATOM 259 CB VAL A 19 3.474 -15.807 0.295 1.00 1.06 C ATOM 260 CG1 VAL A 19 4.683 -15.191 1.007 1.00 1.38 C ATOM 261 CG2 VAL A 19 2.824 -16.838 1.224 1.00 1.17 C ATOM 0 H VAL A 19 1.854 -16.207 -1.460 1.00 0.67 H new ATOM 0 HA VAL A 19 1.921 -14.395 0.844 1.00 0.81 H new ATOM 0 HB VAL A 19 3.799 -16.290 -0.626 1.00 1.06 H new ATOM 0 HG11 VAL A 19 5.401 -15.975 1.250 1.00 1.38 H new ATOM 0 HG12 VAL A 19 5.155 -14.457 0.354 1.00 1.38 H new ATOM 0 HG13 VAL A 19 4.355 -14.703 1.925 1.00 1.38 H new ATOM 0 HG21 VAL A 19 3.548 -17.615 1.469 1.00 1.17 H new ATOM 0 HG22 VAL A 19 2.496 -16.347 2.140 1.00 1.17 H new ATOM 0 HG23 VAL A 19 1.965 -17.287 0.725 1.00 1.17 H new ATOM 271 N ILE A 20 3.626 -13.585 -1.866 1.00 1.05 N ATOM 272 CA ILE A 20 4.274 -12.410 -2.528 1.00 1.29 C ATOM 273 C ILE A 20 3.229 -11.309 -2.713 1.00 1.21 C ATOM 274 O ILE A 20 3.444 -10.168 -2.350 1.00 1.26 O ATOM 275 CB ILE A 20 4.784 -12.930 -3.882 1.00 1.58 C ATOM 276 CG1 ILE A 20 5.991 -13.843 -3.658 1.00 1.77 C ATOM 277 CG2 ILE A 20 5.209 -11.758 -4.773 1.00 1.91 C ATOM 278 CD1 ILE A 20 6.292 -14.621 -4.941 1.00 2.03 C ATOM 0 H ILE A 20 3.599 -14.437 -2.426 1.00 1.05 H new ATOM 0 HA ILE A 20 5.093 -11.989 -1.945 1.00 1.29 H new ATOM 0 HB ILE A 20 3.981 -13.483 -4.369 1.00 1.58 H new ATOM 0 HG12 ILE A 20 6.859 -13.251 -3.368 1.00 1.77 H new ATOM 0 HG13 ILE A 20 5.790 -14.535 -2.840 1.00 1.77 H new ATOM 0 HG21 ILE A 20 5.568 -12.139 -5.729 1.00 1.91 H new ATOM 0 HG22 ILE A 20 4.356 -11.101 -4.942 1.00 1.91 H new ATOM 0 HG23 ILE A 20 6.006 -11.199 -4.283 1.00 1.91 H new ATOM 0 HD11 ILE A 20 7.152 -15.271 -4.779 1.00 2.03 H new ATOM 0 HD12 ILE A 20 5.426 -15.226 -5.211 1.00 2.03 H new ATOM 0 HD13 ILE A 20 6.512 -13.922 -5.747 1.00 2.03 H new ATOM 290 N LEU A 21 2.090 -11.655 -3.251 1.00 1.17 N ATOM 291 CA LEU A 21 1.011 -10.635 -3.435 1.00 1.28 C ATOM 292 C LEU A 21 0.609 -10.072 -2.058 1.00 1.07 C ATOM 293 O LEU A 21 0.454 -8.873 -1.897 1.00 1.16 O ATOM 294 CB LEU A 21 -0.144 -11.373 -4.153 1.00 1.43 C ATOM 295 CG LEU A 21 -1.353 -11.590 -3.229 1.00 1.38 C ATOM 296 CD1 LEU A 21 -2.145 -10.288 -3.091 1.00 1.62 C ATOM 297 CD2 LEU A 21 -2.259 -12.662 -3.837 1.00 1.55 C ATOM 0 H LEU A 21 1.858 -12.596 -3.571 1.00 1.17 H new ATOM 0 HA LEU A 21 1.320 -9.777 -4.032 1.00 1.28 H new ATOM 0 HB2 LEU A 21 -0.454 -10.798 -5.026 1.00 1.43 H new ATOM 0 HB3 LEU A 21 0.212 -12.337 -4.516 1.00 1.43 H new ATOM 0 HG LEU A 21 -1.003 -11.905 -2.246 1.00 1.38 H new ATOM 0 HD11 LEU A 21 -3.000 -10.450 -2.435 1.00 1.62 H new ATOM 0 HD12 LEU A 21 -1.504 -9.515 -2.667 1.00 1.62 H new ATOM 0 HD13 LEU A 21 -2.496 -9.970 -4.073 1.00 1.62 H new ATOM 0 HD21 LEU A 21 -3.120 -12.822 -3.187 1.00 1.55 H new ATOM 0 HD22 LEU A 21 -2.601 -12.335 -4.819 1.00 1.55 H new ATOM 0 HD23 LEU A 21 -1.703 -13.594 -3.939 1.00 1.55 H new ATOM 309 N ILE A 22 0.477 -10.919 -1.056 1.00 0.86 N ATOM 310 CA ILE A 22 0.123 -10.409 0.310 1.00 0.82 C ATOM 311 C ILE A 22 1.224 -9.458 0.792 1.00 0.76 C ATOM 312 O ILE A 22 0.953 -8.388 1.308 1.00 0.81 O ATOM 313 CB ILE A 22 0.026 -11.657 1.207 1.00 0.85 C ATOM 314 CG1 ILE A 22 -1.356 -12.299 1.040 1.00 1.08 C ATOM 315 CG2 ILE A 22 0.219 -11.270 2.678 1.00 1.04 C ATOM 316 CD1 ILE A 22 -1.337 -13.714 1.626 1.00 1.18 C ATOM 0 H ILE A 22 0.598 -11.929 -1.126 1.00 0.86 H new ATOM 0 HA ILE A 22 -0.814 -9.852 0.324 1.00 0.82 H new ATOM 0 HB ILE A 22 0.805 -12.361 0.914 1.00 0.85 H new ATOM 0 HG12 ILE A 22 -2.112 -11.696 1.543 1.00 1.08 H new ATOM 0 HG13 ILE A 22 -1.627 -12.335 -0.015 1.00 1.08 H new ATOM 0 HG21 ILE A 22 0.148 -12.162 3.301 1.00 1.04 H new ATOM 0 HG22 ILE A 22 1.200 -10.813 2.808 1.00 1.04 H new ATOM 0 HG23 ILE A 22 -0.554 -10.560 2.972 1.00 1.04 H new ATOM 0 HD11 ILE A 22 -2.320 -14.170 1.507 1.00 1.18 H new ATOM 0 HD12 ILE A 22 -0.593 -14.314 1.103 1.00 1.18 H new ATOM 0 HD13 ILE A 22 -1.085 -13.666 2.685 1.00 1.18 H new ATOM 328 N ALA A 23 2.463 -9.831 0.602 1.00 0.81 N ATOM 329 CA ALA A 23 3.589 -8.941 1.027 1.00 0.97 C ATOM 330 C ALA A 23 3.549 -7.638 0.217 1.00 1.04 C ATOM 331 O ALA A 23 3.656 -6.558 0.766 1.00 1.05 O ATOM 332 CB ALA A 23 4.867 -9.734 0.737 1.00 1.23 C ATOM 0 H ALA A 23 2.745 -10.712 0.172 1.00 0.81 H new ATOM 0 HA ALA A 23 3.530 -8.664 2.080 1.00 0.97 H new ATOM 0 HB1 ALA A 23 5.736 -9.142 1.024 1.00 1.23 H new ATOM 0 HB2 ALA A 23 4.856 -10.663 1.307 1.00 1.23 H new ATOM 0 HB3 ALA A 23 4.920 -9.963 -0.327 1.00 1.23 H new ATOM 338 N ILE A 24 3.368 -7.732 -1.081 1.00 1.19 N ATOM 339 CA ILE A 24 3.291 -6.494 -1.921 1.00 1.42 C ATOM 340 C ILE A 24 2.133 -5.620 -1.418 1.00 1.29 C ATOM 341 O ILE A 24 2.289 -4.431 -1.201 1.00 1.34 O ATOM 342 CB ILE A 24 3.025 -6.991 -3.350 1.00 1.67 C ATOM 343 CG1 ILE A 24 4.300 -7.611 -3.929 1.00 1.89 C ATOM 344 CG2 ILE A 24 2.594 -5.822 -4.241 1.00 1.96 C ATOM 345 CD1 ILE A 24 3.944 -8.451 -5.158 1.00 2.07 C ATOM 0 H ILE A 24 3.271 -8.609 -1.592 1.00 1.19 H new ATOM 0 HA ILE A 24 4.199 -5.892 -1.878 1.00 1.42 H new ATOM 0 HB ILE A 24 2.232 -7.738 -3.318 1.00 1.67 H new ATOM 0 HG12 ILE A 24 5.007 -6.828 -4.203 1.00 1.89 H new ATOM 0 HG13 ILE A 24 4.788 -8.233 -3.179 1.00 1.89 H new ATOM 0 HG21 ILE A 24 2.408 -6.184 -5.252 1.00 1.96 H new ATOM 0 HG22 ILE A 24 1.683 -5.377 -3.842 1.00 1.96 H new ATOM 0 HG23 ILE A 24 3.384 -5.072 -4.264 1.00 1.96 H new ATOM 0 HD11 ILE A 24 4.850 -8.893 -5.572 1.00 2.07 H new ATOM 0 HD12 ILE A 24 3.253 -9.243 -4.870 1.00 2.07 H new ATOM 0 HD13 ILE A 24 3.475 -7.816 -5.909 1.00 2.07 H new ATOM 357 N ALA A 25 0.979 -6.211 -1.210 1.00 1.19 N ATOM 358 CA ALA A 25 -0.186 -5.427 -0.698 1.00 1.23 C ATOM 359 C ALA A 25 0.137 -4.855 0.685 1.00 1.03 C ATOM 360 O ALA A 25 -0.106 -3.694 0.957 1.00 1.11 O ATOM 361 CB ALA A 25 -1.349 -6.423 -0.623 1.00 1.32 C ATOM 0 H ALA A 25 0.796 -7.201 -1.373 1.00 1.19 H new ATOM 0 HA ALA A 25 -0.431 -4.582 -1.342 1.00 1.23 H new ATOM 0 HB1 ALA A 25 -2.240 -5.915 -0.254 1.00 1.32 H new ATOM 0 HB2 ALA A 25 -1.547 -6.827 -1.616 1.00 1.32 H new ATOM 0 HB3 ALA A 25 -1.088 -7.236 0.054 1.00 1.32 H new ATOM 367 N ALA A 26 0.708 -5.655 1.546 1.00 0.87 N ATOM 368 CA ALA A 26 1.075 -5.151 2.906 1.00 0.85 C ATOM 369 C ALA A 26 2.074 -3.997 2.762 1.00 0.83 C ATOM 370 O ALA A 26 1.923 -2.958 3.377 1.00 0.86 O ATOM 371 CB ALA A 26 1.707 -6.346 3.629 1.00 0.92 C ATOM 0 H ALA A 26 0.936 -6.633 1.369 1.00 0.87 H new ATOM 0 HA ALA A 26 0.218 -4.770 3.462 1.00 0.85 H new ATOM 0 HB1 ALA A 26 2.001 -6.048 4.635 1.00 0.92 H new ATOM 0 HB2 ALA A 26 0.984 -7.160 3.688 1.00 0.92 H new ATOM 0 HB3 ALA A 26 2.586 -6.681 3.078 1.00 0.92 H new ATOM 377 N LEU A 27 3.073 -4.160 1.926 1.00 0.91 N ATOM 378 CA LEU A 27 4.060 -3.061 1.709 1.00 1.08 C ATOM 379 C LEU A 27 3.327 -1.836 1.143 1.00 1.11 C ATOM 380 O LEU A 27 3.508 -0.723 1.606 1.00 1.11 O ATOM 381 CB LEU A 27 5.067 -3.627 0.697 1.00 1.34 C ATOM 382 CG LEU A 27 5.912 -2.491 0.112 1.00 1.63 C ATOM 383 CD1 LEU A 27 7.390 -2.879 0.147 1.00 1.92 C ATOM 384 CD2 LEU A 27 5.491 -2.234 -1.337 1.00 1.83 C ATOM 0 H LEU A 27 3.245 -5.008 1.386 1.00 0.91 H new ATOM 0 HA LEU A 27 4.560 -2.743 2.624 1.00 1.08 H new ATOM 0 HB2 LEU A 27 5.712 -4.359 1.183 1.00 1.34 H new ATOM 0 HB3 LEU A 27 4.539 -4.148 -0.102 1.00 1.34 H new ATOM 0 HG LEU A 27 5.759 -1.588 0.703 1.00 1.63 H new ATOM 0 HD11 LEU A 27 7.989 -2.069 -0.270 1.00 1.92 H new ATOM 0 HD12 LEU A 27 7.694 -3.062 1.178 1.00 1.92 H new ATOM 0 HD13 LEU A 27 7.543 -3.783 -0.442 1.00 1.92 H new ATOM 0 HD21 LEU A 27 6.093 -1.426 -1.753 1.00 1.83 H new ATOM 0 HD22 LEU A 27 5.642 -3.139 -1.926 1.00 1.83 H new ATOM 0 HD23 LEU A 27 4.438 -1.954 -1.366 1.00 1.83 H new ATOM 396 N GLY A 28 2.475 -2.042 0.161 1.00 1.21 N ATOM 397 CA GLY A 28 1.703 -0.899 -0.416 1.00 1.40 C ATOM 398 C GLY A 28 0.894 -0.241 0.704 1.00 1.25 C ATOM 399 O GLY A 28 0.879 0.969 0.843 1.00 1.29 O ATOM 0 H GLY A 28 2.284 -2.951 -0.262 1.00 1.21 H new ATOM 0 HA2 GLY A 28 2.381 -0.175 -0.869 1.00 1.40 H new ATOM 0 HA3 GLY A 28 1.039 -1.251 -1.205 1.00 1.40 H new ATOM 403 N ALA A 29 0.241 -1.037 1.521 1.00 1.13 N ATOM 404 CA ALA A 29 -0.549 -0.469 2.653 1.00 1.15 C ATOM 405 C ALA A 29 0.382 0.255 3.625 1.00 0.99 C ATOM 406 O ALA A 29 0.107 1.355 4.057 1.00 1.06 O ATOM 407 CB ALA A 29 -1.217 -1.674 3.323 1.00 1.22 C ATOM 0 H ALA A 29 0.224 -2.054 1.449 1.00 1.13 H new ATOM 0 HA ALA A 29 -1.288 0.260 2.322 1.00 1.15 H new ATOM 0 HB1 ALA A 29 -1.817 -1.335 4.167 1.00 1.22 H new ATOM 0 HB2 ALA A 29 -1.859 -2.182 2.603 1.00 1.22 H new ATOM 0 HB3 ALA A 29 -0.451 -2.365 3.677 1.00 1.22 H new ATOM 413 N LEU A 30 1.490 -0.350 3.951 1.00 0.88 N ATOM 414 CA LEU A 30 2.464 0.305 4.877 1.00 0.90 C ATOM 415 C LEU A 30 2.916 1.647 4.281 1.00 0.87 C ATOM 416 O LEU A 30 3.016 2.642 4.974 1.00 0.88 O ATOM 417 CB LEU A 30 3.639 -0.676 4.981 1.00 1.01 C ATOM 418 CG LEU A 30 3.399 -1.644 6.143 1.00 1.22 C ATOM 419 CD1 LEU A 30 4.217 -2.918 5.925 1.00 1.35 C ATOM 420 CD2 LEU A 30 3.834 -0.978 7.452 1.00 1.56 C ATOM 0 H LEU A 30 1.766 -1.273 3.616 1.00 0.88 H new ATOM 0 HA LEU A 30 2.038 0.518 5.857 1.00 0.90 H new ATOM 0 HB2 LEU A 30 3.746 -1.231 4.049 1.00 1.01 H new ATOM 0 HB3 LEU A 30 4.569 -0.130 5.136 1.00 1.01 H new ATOM 0 HG LEU A 30 2.340 -1.898 6.194 1.00 1.22 H new ATOM 0 HD11 LEU A 30 4.046 -3.606 6.753 1.00 1.35 H new ATOM 0 HD12 LEU A 30 3.913 -3.390 4.991 1.00 1.35 H new ATOM 0 HD13 LEU A 30 5.276 -2.666 5.876 1.00 1.35 H new ATOM 0 HD21 LEU A 30 3.665 -1.663 8.283 1.00 1.56 H new ATOM 0 HD22 LEU A 30 4.893 -0.727 7.398 1.00 1.56 H new ATOM 0 HD23 LEU A 30 3.253 -0.069 7.608 1.00 1.56 H new ATOM 432 N ILE A 31 3.160 1.687 2.994 1.00 0.95 N ATOM 433 CA ILE A 31 3.576 2.972 2.347 1.00 1.08 C ATOM 434 C ILE A 31 2.397 3.956 2.368 1.00 1.05 C ATOM 435 O ILE A 31 2.541 5.105 2.743 1.00 1.05 O ATOM 436 CB ILE A 31 3.969 2.583 0.913 1.00 1.34 C ATOM 437 CG1 ILE A 31 5.330 1.881 0.939 1.00 1.51 C ATOM 438 CG2 ILE A 31 4.066 3.831 0.026 1.00 1.65 C ATOM 439 CD1 ILE A 31 5.584 1.202 -0.407 1.00 1.74 C ATOM 0 H ILE A 31 3.090 0.888 2.364 1.00 0.95 H new ATOM 0 HA ILE A 31 4.403 3.465 2.858 1.00 1.08 H new ATOM 0 HB ILE A 31 3.207 1.918 0.506 1.00 1.34 H new ATOM 0 HG12 ILE A 31 6.119 2.604 1.148 1.00 1.51 H new ATOM 0 HG13 ILE A 31 5.354 1.142 1.740 1.00 1.51 H new ATOM 0 HG21 ILE A 31 4.345 3.537 -0.986 1.00 1.65 H new ATOM 0 HG22 ILE A 31 3.101 4.337 0.004 1.00 1.65 H new ATOM 0 HG23 ILE A 31 4.821 4.506 0.429 1.00 1.65 H new ATOM 0 HD11 ILE A 31 6.553 0.703 -0.386 1.00 1.74 H new ATOM 0 HD12 ILE A 31 4.802 0.467 -0.597 1.00 1.74 H new ATOM 0 HD13 ILE A 31 5.579 1.951 -1.199 1.00 1.74 H new ATOM 451 N LEU A 32 1.227 3.504 1.989 1.00 1.12 N ATOM 452 CA LEU A 32 0.023 4.397 2.002 1.00 1.27 C ATOM 453 C LEU A 32 -0.289 4.858 3.439 1.00 1.20 C ATOM 454 O LEU A 32 -0.657 5.990 3.668 1.00 1.29 O ATOM 455 CB LEU A 32 -1.118 3.528 1.452 1.00 1.47 C ATOM 456 CG LEU A 32 -2.089 4.394 0.642 1.00 1.82 C ATOM 457 CD1 LEU A 32 -1.972 4.047 -0.843 1.00 2.18 C ATOM 458 CD2 LEU A 32 -3.522 4.128 1.114 1.00 2.14 C ATOM 0 H LEU A 32 1.052 2.551 1.670 1.00 1.12 H new ATOM 0 HA LEU A 32 0.172 5.300 1.410 1.00 1.27 H new ATOM 0 HB2 LEU A 32 -0.713 2.735 0.823 1.00 1.47 H new ATOM 0 HB3 LEU A 32 -1.647 3.044 2.273 1.00 1.47 H new ATOM 0 HG LEU A 32 -1.844 5.446 0.788 1.00 1.82 H new ATOM 0 HD11 LEU A 32 -2.664 4.664 -1.416 1.00 2.18 H new ATOM 0 HD12 LEU A 32 -0.953 4.234 -1.181 1.00 2.18 H new ATOM 0 HD13 LEU A 32 -2.216 2.995 -0.991 1.00 2.18 H new ATOM 0 HD21 LEU A 32 -4.214 4.743 0.539 1.00 2.14 H new ATOM 0 HD22 LEU A 32 -3.764 3.075 0.967 1.00 2.14 H new ATOM 0 HD23 LEU A 32 -3.609 4.376 2.172 1.00 2.14 H new ATOM 470 N GLY A 33 -0.147 3.988 4.406 1.00 1.12 N ATOM 471 CA GLY A 33 -0.442 4.373 5.823 1.00 1.23 C ATOM 472 C GLY A 33 0.680 5.246 6.405 1.00 1.13 C ATOM 473 O GLY A 33 0.423 6.158 7.165 1.00 1.26 O ATOM 0 H GLY A 33 0.161 3.024 4.277 1.00 1.12 H new ATOM 0 HA2 GLY A 33 -1.387 4.914 5.867 1.00 1.23 H new ATOM 0 HA3 GLY A 33 -0.560 3.475 6.430 1.00 1.23 H new ATOM 988 N GLN A 66 -24.535 14.237 7.823 1.00 1.27 N ATOM 989 CA GLN A 66 -23.596 14.977 8.721 1.00 1.15 C ATOM 990 C GLN A 66 -22.624 13.973 9.338 1.00 1.06 C ATOM 991 O GLN A 66 -21.423 14.080 9.192 1.00 0.97 O ATOM 992 CB GLN A 66 -24.485 15.628 9.790 1.00 1.21 C ATOM 993 CG GLN A 66 -23.914 16.998 10.186 1.00 1.18 C ATOM 994 CD GLN A 66 -22.747 16.821 11.158 1.00 1.07 C ATOM 995 OE1 GLN A 66 -21.646 17.256 10.886 1.00 1.03 O ATOM 996 NE2 GLN A 66 -22.938 16.204 12.289 1.00 1.23 N ATOM 0 HA GLN A 66 -23.004 15.732 8.203 1.00 1.15 H new ATOM 0 HB2 GLN A 66 -25.500 15.744 9.409 1.00 1.21 H new ATOM 0 HB3 GLN A 66 -24.545 14.983 10.667 1.00 1.21 H new ATOM 0 HG2 GLN A 66 -23.579 17.532 9.297 1.00 1.18 H new ATOM 0 HG3 GLN A 66 -24.693 17.605 10.647 1.00 1.18 H new ATOM 0 HE21 GLN A 66 -23.861 15.838 12.520 1.00 1.23 H new ATOM 0 HE22 GLN A 66 -22.164 16.087 12.943 1.00 1.23 H new ATOM 1005 N TYR A 67 -23.147 12.969 9.988 1.00 1.12 N ATOM 1006 CA TYR A 67 -22.268 11.916 10.586 1.00 1.10 C ATOM 1007 C TYR A 67 -21.497 11.199 9.470 1.00 1.08 C ATOM 1008 O TYR A 67 -20.318 10.921 9.589 1.00 1.01 O ATOM 1009 CB TYR A 67 -23.222 10.947 11.292 1.00 1.25 C ATOM 1010 CG TYR A 67 -23.357 11.336 12.746 1.00 1.48 C ATOM 1011 CD1 TYR A 67 -22.363 10.973 13.665 1.00 1.80 C ATOM 1012 CD2 TYR A 67 -24.476 12.059 13.178 1.00 1.84 C ATOM 1013 CE1 TYR A 67 -22.490 11.334 15.013 1.00 2.28 C ATOM 1014 CE2 TYR A 67 -24.600 12.418 14.528 1.00 2.28 C ATOM 1015 CZ TYR A 67 -23.607 12.054 15.443 1.00 2.44 C ATOM 1016 OH TYR A 67 -23.731 12.404 16.770 1.00 3.01 O ATOM 0 H TYR A 67 -24.147 12.830 10.133 1.00 1.12 H new ATOM 0 HA TYR A 67 -21.533 12.327 11.278 1.00 1.10 H new ATOM 0 HB2 TYR A 67 -24.199 10.965 10.808 1.00 1.25 H new ATOM 0 HB3 TYR A 67 -22.846 9.927 11.212 1.00 1.25 H new ATOM 0 HD1 TYR A 67 -21.499 10.415 13.334 1.00 1.80 H new ATOM 0 HD2 TYR A 67 -25.243 12.340 12.472 1.00 1.84 H new ATOM 0 HE1 TYR A 67 -21.723 11.055 15.720 1.00 2.28 H new ATOM 0 HE2 TYR A 67 -25.463 12.976 14.861 1.00 2.28 H new ATOM 0 HH TYR A 67 -24.565 12.902 16.900 1.00 3.01 H new ATOM 1026 N SER A 68 -22.170 10.920 8.382 1.00 1.18 N ATOM 1027 CA SER A 68 -21.508 10.233 7.223 1.00 1.22 C ATOM 1028 C SER A 68 -20.347 11.083 6.693 1.00 1.11 C ATOM 1029 O SER A 68 -19.324 10.563 6.309 1.00 1.12 O ATOM 1030 CB SER A 68 -22.596 10.084 6.151 1.00 1.36 C ATOM 1031 OG SER A 68 -23.659 9.281 6.657 1.00 1.50 O ATOM 0 H SER A 68 -23.156 11.139 8.243 1.00 1.18 H new ATOM 0 HA SER A 68 -21.093 9.267 7.510 1.00 1.22 H new ATOM 0 HB2 SER A 68 -22.973 11.065 5.863 1.00 1.36 H new ATOM 0 HB3 SER A 68 -22.177 9.628 5.254 1.00 1.36 H new ATOM 0 HG SER A 68 -24.354 9.188 5.972 1.00 1.50 H new ATOM 1037 N ALA A 69 -20.495 12.386 6.673 1.00 1.05 N ATOM 1038 CA ALA A 69 -19.386 13.263 6.177 1.00 0.99 C ATOM 1039 C ALA A 69 -18.348 13.483 7.285 1.00 0.86 C ATOM 1040 O ALA A 69 -17.156 13.482 7.039 1.00 0.85 O ATOM 1041 CB ALA A 69 -20.060 14.583 5.789 1.00 1.04 C ATOM 0 H ALA A 69 -21.334 12.880 6.978 1.00 1.05 H new ATOM 0 HA ALA A 69 -18.855 12.821 5.334 1.00 0.99 H new ATOM 0 HB1 ALA A 69 -19.309 15.279 5.415 1.00 1.04 H new ATOM 0 HB2 ALA A 69 -20.802 14.398 5.012 1.00 1.04 H new ATOM 0 HB3 ALA A 69 -20.549 15.012 6.663 1.00 1.04 H new ATOM 1047 N LYS A 70 -18.796 13.661 8.500 1.00 0.80 N ATOM 1048 CA LYS A 70 -17.841 13.876 9.640 1.00 0.71 C ATOM 1049 C LYS A 70 -16.932 12.661 9.814 1.00 0.70 C ATOM 1050 O LYS A 70 -15.745 12.795 10.033 1.00 0.71 O ATOM 1051 CB LYS A 70 -18.712 14.056 10.886 1.00 0.74 C ATOM 1052 CG LYS A 70 -19.523 15.344 10.773 1.00 0.79 C ATOM 1053 CD LYS A 70 -18.634 16.556 11.071 1.00 0.85 C ATOM 1054 CE LYS A 70 -18.519 17.428 9.815 1.00 0.98 C ATOM 1055 NZ LYS A 70 -19.748 18.280 9.810 1.00 1.06 N ATOM 0 H LYS A 70 -19.783 13.668 8.758 1.00 0.80 H new ATOM 0 HA LYS A 70 -17.200 14.740 9.462 1.00 0.71 H new ATOM 0 HB2 LYS A 70 -19.382 13.203 10.998 1.00 0.74 H new ATOM 0 HB3 LYS A 70 -18.085 14.088 11.777 1.00 0.74 H new ATOM 0 HG2 LYS A 70 -19.945 15.430 9.772 1.00 0.79 H new ATOM 0 HG3 LYS A 70 -20.360 15.318 11.470 1.00 0.79 H new ATOM 0 HD2 LYS A 70 -19.055 17.136 11.892 1.00 0.85 H new ATOM 0 HD3 LYS A 70 -17.645 16.226 11.389 1.00 0.85 H new ATOM 0 HE2 LYS A 70 -17.617 18.039 9.842 1.00 0.98 H new ATOM 0 HE3 LYS A 70 -18.462 16.815 8.915 1.00 0.98 H new ATOM 0 HZ1 LYS A 70 -20.070 18.419 8.831 1.00 1.06 H new ATOM 0 HZ2 LYS A 70 -20.497 17.811 10.358 1.00 1.06 H new ATOM 0 HZ3 LYS A 70 -19.532 19.203 10.238 1.00 1.06 H new ATOM 1069 N GLY A 71 -17.494 11.484 9.721 1.00 0.77 N ATOM 1070 CA GLY A 71 -16.690 10.222 9.879 1.00 0.83 C ATOM 1071 C GLY A 71 -15.359 10.334 9.124 1.00 0.80 C ATOM 1072 O GLY A 71 -14.308 10.364 9.739 1.00 0.77 O ATOM 0 H GLY A 71 -18.487 11.336 9.540 1.00 0.77 H new ATOM 0 HA2 GLY A 71 -16.501 10.035 10.936 1.00 0.83 H new ATOM 0 HA3 GLY A 71 -17.259 9.372 9.501 1.00 0.83 H new ATOM 1076 N PRO A 72 -15.441 10.407 7.815 1.00 0.87 N ATOM 1077 CA PRO A 72 -14.214 10.535 6.985 1.00 0.91 C ATOM 1078 C PRO A 72 -13.535 11.887 7.246 1.00 0.84 C ATOM 1079 O PRO A 72 -12.324 11.964 7.327 1.00 0.86 O ATOM 1080 CB PRO A 72 -14.732 10.419 5.552 1.00 1.03 C ATOM 1081 CG PRO A 72 -16.167 10.828 5.634 1.00 1.03 C ATOM 1082 CD PRO A 72 -16.655 10.386 6.989 1.00 0.96 C ATOM 0 HA PRO A 72 -13.457 9.782 7.205 1.00 0.91 H new ATOM 0 HB2 PRO A 72 -14.174 11.066 4.875 1.00 1.03 H new ATOM 0 HB3 PRO A 72 -14.631 9.401 5.175 1.00 1.03 H new ATOM 0 HG2 PRO A 72 -16.271 11.907 5.516 1.00 1.03 H new ATOM 0 HG3 PRO A 72 -16.750 10.362 4.840 1.00 1.03 H new ATOM 0 HD2 PRO A 72 -17.418 11.059 7.380 1.00 0.96 H new ATOM 0 HD3 PRO A 72 -17.097 9.391 6.951 1.00 0.96 H new ATOM 1090 N CYS A 73 -14.296 12.949 7.415 1.00 0.80 N ATOM 1091 CA CYS A 73 -13.663 14.276 7.705 1.00 0.80 C ATOM 1092 C CYS A 73 -12.822 14.173 8.981 1.00 0.73 C ATOM 1093 O CYS A 73 -11.692 14.623 9.033 1.00 0.78 O ATOM 1094 CB CYS A 73 -14.820 15.264 7.896 1.00 0.82 C ATOM 1095 SG CYS A 73 -14.830 16.450 6.528 1.00 1.55 S ATOM 0 H CYS A 73 -15.315 12.952 7.365 1.00 0.80 H new ATOM 0 HA CYS A 73 -13.002 14.601 6.901 1.00 0.80 H new ATOM 0 HB2 CYS A 73 -15.768 14.728 7.934 1.00 0.82 H new ATOM 0 HB3 CYS A 73 -14.712 15.788 8.846 1.00 0.82 H new ATOM 0 HG CYS A 73 -15.812 17.287 6.687 1.00 1.55 H new ATOM 1101 N VAL A 74 -13.357 13.553 9.996 1.00 0.68 N ATOM 1102 CA VAL A 74 -12.585 13.383 11.265 1.00 0.65 C ATOM 1103 C VAL A 74 -11.519 12.309 11.065 1.00 0.67 C ATOM 1104 O VAL A 74 -10.392 12.463 11.490 1.00 0.71 O ATOM 1105 CB VAL A 74 -13.611 12.965 12.327 1.00 0.64 C ATOM 1106 CG1 VAL A 74 -12.891 12.565 13.620 1.00 0.74 C ATOM 1107 CG2 VAL A 74 -14.549 14.138 12.620 1.00 0.68 C ATOM 0 H VAL A 74 -14.296 13.155 10.004 1.00 0.68 H new ATOM 0 HA VAL A 74 -12.071 14.295 11.569 1.00 0.65 H new ATOM 0 HB VAL A 74 -14.184 12.116 11.953 1.00 0.64 H new ATOM 0 HG11 VAL A 74 -13.626 12.270 14.369 1.00 0.74 H new ATOM 0 HG12 VAL A 74 -12.221 11.729 13.420 1.00 0.74 H new ATOM 0 HG13 VAL A 74 -12.314 13.412 13.992 1.00 0.74 H new ATOM 0 HG21 VAL A 74 -15.278 13.841 13.374 1.00 0.68 H new ATOM 0 HG22 VAL A 74 -13.969 14.984 12.989 1.00 0.68 H new ATOM 0 HG23 VAL A 74 -15.069 14.425 11.706 1.00 0.68 H new ATOM 1117 N GLU A 75 -11.864 11.240 10.402 1.00 0.70 N ATOM 1118 CA GLU A 75 -10.865 10.156 10.136 1.00 0.75 C ATOM 1119 C GLU A 75 -9.634 10.754 9.438 1.00 0.79 C ATOM 1120 O GLU A 75 -8.500 10.502 9.816 1.00 0.83 O ATOM 1121 CB GLU A 75 -11.603 9.168 9.219 1.00 0.82 C ATOM 1122 CG GLU A 75 -10.645 8.066 8.742 1.00 0.87 C ATOM 1123 CD GLU A 75 -10.418 8.196 7.236 1.00 0.92 C ATOM 1124 OE1 GLU A 75 -11.298 7.813 6.479 1.00 0.95 O ATOM 1125 OE2 GLU A 75 -9.367 8.681 6.862 1.00 1.06 O ATOM 0 H GLU A 75 -12.798 11.066 10.030 1.00 0.70 H new ATOM 0 HA GLU A 75 -10.506 9.668 11.042 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -12.443 8.723 9.753 1.00 0.82 H new ATOM 0 HB3 GLU A 75 -12.016 9.697 8.360 1.00 0.82 H new ATOM 0 HG2 GLU A 75 -9.695 8.143 9.271 1.00 0.87 H new ATOM 0 HG3 GLU A 75 -11.060 7.085 8.974 1.00 0.87 H new ATOM 1132 N ARG A 76 -9.861 11.571 8.445 1.00 0.80 N ATOM 1133 CA ARG A 76 -8.727 12.220 7.715 1.00 0.87 C ATOM 1134 C ARG A 76 -8.032 13.239 8.621 1.00 0.90 C ATOM 1135 O ARG A 76 -6.816 13.270 8.713 1.00 1.02 O ATOM 1136 CB ARG A 76 -9.364 12.922 6.510 1.00 0.87 C ATOM 1137 CG ARG A 76 -9.323 11.994 5.293 1.00 0.92 C ATOM 1138 CD ARG A 76 -10.538 11.067 5.326 1.00 0.98 C ATOM 1139 NE ARG A 76 -10.410 10.215 4.111 1.00 0.97 N ATOM 1140 CZ ARG A 76 -11.459 9.674 3.582 1.00 0.99 C ATOM 1141 NH1 ARG A 76 -12.020 8.650 4.144 1.00 1.02 N ATOM 1142 NH2 ARG A 76 -11.956 10.163 2.497 1.00 1.09 N ATOM 0 H ARG A 76 -10.789 11.820 8.104 1.00 0.80 H new ATOM 0 HA ARG A 76 -7.973 11.496 7.407 1.00 0.87 H new ATOM 0 HB2 ARG A 76 -10.395 13.194 6.738 1.00 0.87 H new ATOM 0 HB3 ARG A 76 -8.831 13.848 6.292 1.00 0.87 H new ATOM 0 HG2 ARG A 76 -9.323 12.580 4.374 1.00 0.92 H new ATOM 0 HG3 ARG A 76 -8.404 11.408 5.298 1.00 0.92 H new ATOM 0 HD2 ARG A 76 -10.547 10.462 6.233 1.00 0.98 H new ATOM 0 HD3 ARG A 76 -11.468 11.635 5.313 1.00 0.98 H new ATOM 0 HE ARG A 76 -9.492 10.058 3.695 1.00 0.97 H new ATOM 0 HH11 ARG A 76 -11.634 8.267 5.007 1.00 1.02 H new ATOM 0 HH12 ARG A 76 -12.847 8.227 3.723 1.00 1.02 H new ATOM 0 HH21 ARG A 76 -11.522 10.975 2.058 1.00 1.09 H new ATOM 0 HH22 ARG A 76 -12.783 9.738 2.078 1.00 1.09 H new ATOM 1156 N LYS A 77 -8.793 14.069 9.296 1.00 0.84 N ATOM 1157 CA LYS A 77 -8.179 15.085 10.209 1.00 0.92 C ATOM 1158 C LYS A 77 -7.383 14.385 11.317 1.00 0.94 C ATOM 1159 O LYS A 77 -6.331 14.846 11.731 1.00 1.09 O ATOM 1160 CB LYS A 77 -9.362 15.869 10.789 1.00 0.89 C ATOM 1161 CG LYS A 77 -9.526 17.185 10.024 1.00 1.00 C ATOM 1162 CD LYS A 77 -8.393 18.146 10.402 1.00 1.10 C ATOM 1163 CE LYS A 77 -8.566 18.597 11.854 1.00 1.63 C ATOM 1164 NZ LYS A 77 -7.224 18.403 12.475 1.00 1.41 N ATOM 0 H LYS A 77 -9.812 14.086 9.254 1.00 0.84 H new ATOM 0 HA LYS A 77 -7.481 15.742 9.691 1.00 0.92 H new ATOM 0 HB2 LYS A 77 -10.275 15.278 10.716 1.00 0.89 H new ATOM 0 HB3 LYS A 77 -9.195 16.069 11.847 1.00 0.89 H new ATOM 0 HG2 LYS A 77 -9.514 16.997 8.950 1.00 1.00 H new ATOM 0 HG3 LYS A 77 -10.491 17.635 10.258 1.00 1.00 H new ATOM 0 HD2 LYS A 77 -7.428 17.655 10.276 1.00 1.10 H new ATOM 0 HD3 LYS A 77 -8.399 19.011 9.739 1.00 1.10 H new ATOM 0 HE2 LYS A 77 -8.881 19.639 11.910 1.00 1.63 H new ATOM 0 HE3 LYS A 77 -9.327 18.006 12.364 1.00 1.63 H new ATOM 0 HZ1 LYS A 77 -7.259 18.690 13.474 1.00 1.41 H new ATOM 0 HZ2 LYS A 77 -6.954 17.401 12.412 1.00 1.41 H new ATOM 0 HZ3 LYS A 77 -6.522 18.983 11.972 1.00 1.41 H new ATOM 1178 N ALA A 78 -7.872 13.265 11.779 1.00 0.83 N ATOM 1179 CA ALA A 78 -7.153 12.501 12.839 1.00 0.89 C ATOM 1180 C ALA A 78 -5.846 11.957 12.260 1.00 0.98 C ATOM 1181 O ALA A 78 -4.789 12.092 12.851 1.00 1.08 O ATOM 1182 CB ALA A 78 -8.103 11.363 13.233 1.00 0.84 C ATOM 0 H ALA A 78 -8.746 12.844 11.464 1.00 0.83 H new ATOM 0 HA ALA A 78 -6.896 13.110 13.706 1.00 0.89 H new ATOM 0 HB1 ALA A 78 -7.641 10.756 14.011 1.00 0.84 H new ATOM 0 HB2 ALA A 78 -9.037 11.782 13.607 1.00 0.84 H new ATOM 0 HB3 ALA A 78 -8.307 10.741 12.361 1.00 0.84 H new ATOM 1188 N LYS A 79 -5.925 11.376 11.091 1.00 0.99 N ATOM 1189 CA LYS A 79 -4.707 10.831 10.411 1.00 1.11 C ATOM 1190 C LYS A 79 -3.709 11.959 10.106 1.00 1.19 C ATOM 1191 O LYS A 79 -2.509 11.776 10.181 1.00 1.26 O ATOM 1192 CB LYS A 79 -5.226 10.240 9.094 1.00 1.13 C ATOM 1193 CG LYS A 79 -5.580 8.761 9.278 1.00 1.17 C ATOM 1194 CD LYS A 79 -6.638 8.357 8.243 1.00 1.16 C ATOM 1195 CE LYS A 79 -6.065 8.502 6.825 1.00 1.31 C ATOM 1196 NZ LYS A 79 -7.185 8.114 5.910 1.00 1.17 N ATOM 0 H LYS A 79 -6.793 11.253 10.570 1.00 0.99 H new ATOM 0 HA LYS A 79 -4.191 10.098 11.031 1.00 1.11 H new ATOM 0 HB2 LYS A 79 -6.105 10.792 8.761 1.00 1.13 H new ATOM 0 HB3 LYS A 79 -4.469 10.346 8.317 1.00 1.13 H new ATOM 0 HG2 LYS A 79 -4.688 8.145 9.162 1.00 1.17 H new ATOM 0 HG3 LYS A 79 -5.957 8.589 10.286 1.00 1.17 H new ATOM 0 HD2 LYS A 79 -6.952 7.327 8.414 1.00 1.16 H new ATOM 0 HD3 LYS A 79 -7.524 8.983 8.352 1.00 1.16 H new ATOM 0 HE2 LYS A 79 -5.737 9.524 6.635 1.00 1.31 H new ATOM 0 HE3 LYS A 79 -5.198 7.857 6.682 1.00 1.31 H new ATOM 0 HZ1 LYS A 79 -7.239 8.790 5.122 1.00 1.17 H new ATOM 0 HZ2 LYS A 79 -7.013 7.159 5.536 1.00 1.17 H new ATOM 0 HZ3 LYS A 79 -8.082 8.123 6.436 1.00 1.17 H new ATOM 1210 N LEU A 80 -4.207 13.117 9.737 1.00 1.24 N ATOM 1211 CA LEU A 80 -3.309 14.263 9.392 1.00 1.35 C ATOM 1212 C LEU A 80 -2.775 14.974 10.641 1.00 1.42 C ATOM 1213 O LEU A 80 -1.594 15.233 10.758 1.00 1.58 O ATOM 1214 CB LEU A 80 -4.190 15.213 8.573 1.00 1.34 C ATOM 1215 CG LEU A 80 -3.358 16.405 8.096 1.00 1.63 C ATOM 1216 CD1 LEU A 80 -2.650 16.045 6.791 1.00 1.93 C ATOM 1217 CD2 LEU A 80 -4.273 17.607 7.860 1.00 1.79 C ATOM 0 H LEU A 80 -5.204 13.317 9.660 1.00 1.24 H new ATOM 0 HA LEU A 80 -2.428 13.924 8.847 1.00 1.35 H new ATOM 0 HB2 LEU A 80 -4.612 14.686 7.717 1.00 1.34 H new ATOM 0 HB3 LEU A 80 -5.027 15.560 9.178 1.00 1.34 H new ATOM 0 HG LEU A 80 -2.618 16.654 8.856 1.00 1.63 H new ATOM 0 HD11 LEU A 80 -2.058 16.895 6.452 1.00 1.93 H new ATOM 0 HD12 LEU A 80 -1.995 15.189 6.956 1.00 1.93 H new ATOM 0 HD13 LEU A 80 -3.391 15.794 6.032 1.00 1.93 H new ATOM 0 HD21 LEU A 80 -3.679 18.455 7.520 1.00 1.79 H new ATOM 0 HD22 LEU A 80 -5.015 17.356 7.102 1.00 1.79 H new ATOM 0 HD23 LEU A 80 -4.779 17.867 8.790 1.00 1.79 H new