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= 0.988 K(o=1.5,f=-18!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 177:sc= 0.498! (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= -0.125 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 0.686 (180deg=0.431) USER MOD ----------------------------------------------------------------- ATOM 174 N VAL A 14 1.107 -21.365 -6.188 1.00 1.04 N ATOM 175 CA VAL A 14 0.008 -20.390 -5.886 1.00 1.06 C ATOM 176 C VAL A 14 0.206 -19.822 -4.474 1.00 1.00 C ATOM 177 O VAL A 14 0.044 -18.636 -4.245 1.00 0.98 O ATOM 178 CB VAL A 14 -1.292 -21.203 -5.983 1.00 1.20 C ATOM 179 CG1 VAL A 14 -2.452 -20.424 -5.350 1.00 1.31 C ATOM 180 CG2 VAL A 14 -1.615 -21.471 -7.454 1.00 1.31 C ATOM 0 HA VAL A 14 -0.008 -19.543 -6.572 1.00 1.06 H new ATOM 0 HB VAL A 14 -1.159 -22.145 -5.452 1.00 1.20 H new ATOM 0 HG11 VAL A 14 -3.368 -21.010 -5.425 1.00 1.31 H new ATOM 0 HG12 VAL A 14 -2.230 -20.230 -4.301 1.00 1.31 H new ATOM 0 HG13 VAL A 14 -2.583 -19.477 -5.874 1.00 1.31 H new ATOM 0 HG21 VAL A 14 -2.537 -22.048 -7.525 1.00 1.31 H new ATOM 0 HG22 VAL A 14 -1.739 -20.523 -7.978 1.00 1.31 H new ATOM 0 HG23 VAL A 14 -0.800 -22.033 -7.909 1.00 1.31 H new ATOM 190 N VAL A 15 0.586 -20.657 -3.536 1.00 1.03 N ATOM 191 CA VAL A 15 0.826 -20.163 -2.143 1.00 1.03 C ATOM 192 C VAL A 15 1.977 -19.155 -2.159 1.00 0.93 C ATOM 193 O VAL A 15 1.892 -18.084 -1.584 1.00 0.91 O ATOM 194 CB VAL A 15 1.194 -21.410 -1.324 1.00 1.15 C ATOM 195 CG1 VAL A 15 1.867 -20.995 -0.012 1.00 1.25 C ATOM 196 CG2 VAL A 15 -0.075 -22.202 -1.004 1.00 1.30 C ATOM 0 H VAL A 15 0.740 -21.656 -3.674 1.00 1.03 H new ATOM 0 HA VAL A 15 -0.042 -19.659 -1.717 1.00 1.03 H new ATOM 0 HB VAL A 15 1.881 -22.026 -1.905 1.00 1.15 H new ATOM 0 HG11 VAL A 15 2.124 -21.885 0.562 1.00 1.25 H new ATOM 0 HG12 VAL A 15 2.773 -20.430 -0.231 1.00 1.25 H new ATOM 0 HG13 VAL A 15 1.183 -20.375 0.567 1.00 1.25 H new ATOM 0 HG21 VAL A 15 0.185 -23.087 -0.423 1.00 1.30 H new ATOM 0 HG22 VAL A 15 -0.758 -21.578 -0.428 1.00 1.30 H new ATOM 0 HG23 VAL A 15 -0.558 -22.507 -1.933 1.00 1.30 H new ATOM 206 N THR A 16 3.038 -19.492 -2.840 1.00 0.92 N ATOM 207 CA THR A 16 4.209 -18.564 -2.938 1.00 0.90 C ATOM 208 C THR A 16 3.755 -17.220 -3.509 1.00 0.81 C ATOM 209 O THR A 16 4.075 -16.169 -2.981 1.00 0.80 O ATOM 210 CB THR A 16 5.203 -19.251 -3.882 1.00 0.96 C ATOM 211 OG1 THR A 16 5.644 -20.468 -3.296 1.00 1.10 O ATOM 212 CG2 THR A 16 6.409 -18.343 -4.117 1.00 1.04 C ATOM 0 H THR A 16 3.148 -20.376 -3.337 1.00 0.92 H new ATOM 0 HA THR A 16 4.662 -18.365 -1.967 1.00 0.90 H new ATOM 0 HB THR A 16 4.712 -19.453 -4.834 1.00 0.96 H new ATOM 0 HG1 THR A 16 6.278 -20.910 -3.898 1.00 1.10 H new ATOM 0 HG21 THR A 16 7.111 -18.837 -4.788 1.00 1.04 H new ATOM 0 HG22 THR A 16 6.077 -17.406 -4.564 1.00 1.04 H new ATOM 0 HG23 THR A 16 6.900 -18.137 -3.166 1.00 1.04 H new ATOM 220 N VAL A 17 2.986 -17.249 -4.566 1.00 0.81 N ATOM 221 CA VAL A 17 2.484 -15.963 -5.156 1.00 0.81 C ATOM 222 C VAL A 17 1.554 -15.283 -4.157 1.00 0.78 C ATOM 223 O VAL A 17 1.600 -14.094 -3.991 1.00 0.77 O ATOM 224 CB VAL A 17 1.696 -16.300 -6.422 1.00 0.90 C ATOM 225 CG1 VAL A 17 1.599 -15.051 -7.300 1.00 0.99 C ATOM 226 CG2 VAL A 17 2.382 -17.414 -7.220 1.00 0.97 C ATOM 0 H VAL A 17 2.684 -18.097 -5.046 1.00 0.81 H new ATOM 0 HA VAL A 17 3.317 -15.299 -5.388 1.00 0.81 H new ATOM 0 HB VAL A 17 0.704 -16.642 -6.128 1.00 0.90 H new ATOM 0 HG11 VAL A 17 1.038 -15.285 -8.205 1.00 0.99 H new ATOM 0 HG12 VAL A 17 1.089 -14.259 -6.751 1.00 0.99 H new ATOM 0 HG13 VAL A 17 2.601 -14.718 -7.570 1.00 0.99 H new ATOM 0 HG21 VAL A 17 1.799 -17.632 -8.115 1.00 0.97 H new ATOM 0 HG22 VAL A 17 3.383 -17.092 -7.508 1.00 0.97 H new ATOM 0 HG23 VAL A 17 2.453 -18.311 -6.605 1.00 0.97 H new ATOM 236 N ILE A 18 0.711 -16.030 -3.483 1.00 0.82 N ATOM 237 CA ILE A 18 -0.205 -15.399 -2.478 1.00 0.86 C ATOM 238 C ILE A 18 0.632 -14.732 -1.392 1.00 0.82 C ATOM 239 O ILE A 18 0.337 -13.637 -0.962 1.00 0.84 O ATOM 240 CB ILE A 18 -1.060 -16.546 -1.918 1.00 0.98 C ATOM 241 CG1 ILE A 18 -2.143 -16.923 -2.938 1.00 1.07 C ATOM 242 CG2 ILE A 18 -1.727 -16.119 -0.604 1.00 1.13 C ATOM 243 CD1 ILE A 18 -3.101 -15.744 -3.148 1.00 1.24 C ATOM 0 H ILE A 18 0.617 -17.041 -3.584 1.00 0.82 H new ATOM 0 HA ILE A 18 -0.843 -14.627 -2.908 1.00 0.86 H new ATOM 0 HB ILE A 18 -0.416 -17.405 -1.728 1.00 0.98 H new ATOM 0 HG12 ILE A 18 -1.681 -17.200 -3.886 1.00 1.07 H new ATOM 0 HG13 ILE A 18 -2.697 -17.794 -2.587 1.00 1.07 H new ATOM 0 HG21 ILE A 18 -2.330 -16.941 -0.218 1.00 1.13 H new ATOM 0 HG22 ILE A 18 -0.960 -15.858 0.125 1.00 1.13 H new ATOM 0 HG23 ILE A 18 -2.366 -15.254 -0.784 1.00 1.13 H new ATOM 0 HD11 ILE A 18 -3.866 -16.021 -3.873 1.00 1.24 H new ATOM 0 HD12 ILE A 18 -3.575 -15.487 -2.201 1.00 1.24 H new ATOM 0 HD13 ILE A 18 -2.544 -14.884 -3.519 1.00 1.24 H new ATOM 255 N VAL A 19 1.694 -15.361 -0.981 1.00 0.80 N ATOM 256 CA VAL A 19 2.578 -14.729 0.043 1.00 0.82 C ATOM 257 C VAL A 19 3.209 -13.477 -0.577 1.00 0.77 C ATOM 258 O VAL A 19 3.222 -12.417 0.020 1.00 0.79 O ATOM 259 CB VAL A 19 3.639 -15.787 0.381 1.00 0.89 C ATOM 260 CG1 VAL A 19 4.761 -15.153 1.205 1.00 0.99 C ATOM 261 CG2 VAL A 19 2.998 -16.915 1.193 1.00 1.01 C ATOM 0 H VAL A 19 1.991 -16.281 -1.306 1.00 0.80 H new ATOM 0 HA VAL A 19 2.049 -14.423 0.945 1.00 0.82 H new ATOM 0 HB VAL A 19 4.050 -16.187 -0.546 1.00 0.89 H new ATOM 0 HG11 VAL A 19 5.510 -15.909 1.441 1.00 0.99 H new ATOM 0 HG12 VAL A 19 5.224 -14.350 0.632 1.00 0.99 H new ATOM 0 HG13 VAL A 19 4.349 -14.748 2.130 1.00 0.99 H new ATOM 0 HG21 VAL A 19 3.752 -17.665 1.432 1.00 1.01 H new ATOM 0 HG22 VAL A 19 2.584 -16.509 2.116 1.00 1.01 H new ATOM 0 HG23 VAL A 19 2.201 -17.375 0.610 1.00 1.01 H new ATOM 271 N ILE A 20 3.700 -13.590 -1.792 1.00 0.76 N ATOM 272 CA ILE A 20 4.295 -12.400 -2.477 1.00 0.77 C ATOM 273 C ILE A 20 3.217 -11.327 -2.632 1.00 0.75 C ATOM 274 O ILE A 20 3.411 -10.182 -2.271 1.00 0.78 O ATOM 275 CB ILE A 20 4.770 -12.909 -3.845 1.00 0.82 C ATOM 276 CG1 ILE A 20 5.969 -13.842 -3.657 1.00 0.91 C ATOM 277 CG2 ILE A 20 5.185 -11.727 -4.723 1.00 0.92 C ATOM 278 CD1 ILE A 20 6.245 -14.594 -4.960 1.00 1.01 C ATOM 0 H ILE A 20 3.713 -14.453 -2.335 1.00 0.76 H new ATOM 0 HA ILE A 20 5.121 -11.957 -1.920 1.00 0.77 H new ATOM 0 HB ILE A 20 3.955 -13.450 -4.326 1.00 0.82 H new ATOM 0 HG12 ILE A 20 6.847 -13.267 -3.364 1.00 0.91 H new ATOM 0 HG13 ILE A 20 5.769 -14.550 -2.853 1.00 0.91 H new ATOM 0 HG21 ILE A 20 5.521 -12.094 -5.693 1.00 0.92 H new ATOM 0 HG22 ILE A 20 4.334 -11.061 -4.863 1.00 0.92 H new ATOM 0 HG23 ILE A 20 5.996 -11.182 -4.240 1.00 0.92 H new ATOM 0 HD11 ILE A 20 7.099 -15.257 -4.823 1.00 1.01 H new ATOM 0 HD12 ILE A 20 5.369 -15.182 -5.233 1.00 1.01 H new ATOM 0 HD13 ILE A 20 6.464 -13.879 -5.753 1.00 1.01 H new ATOM 290 N LEU A 21 2.073 -11.704 -3.139 1.00 0.75 N ATOM 291 CA LEU A 21 0.954 -10.726 -3.293 1.00 0.79 C ATOM 292 C LEU A 21 0.623 -10.128 -1.923 1.00 0.81 C ATOM 293 O LEU A 21 0.543 -8.919 -1.768 1.00 0.84 O ATOM 294 CB LEU A 21 -0.225 -11.541 -3.835 1.00 0.85 C ATOM 295 CG LEU A 21 -0.136 -11.618 -5.360 1.00 0.93 C ATOM 296 CD1 LEU A 21 -0.961 -12.806 -5.859 1.00 1.08 C ATOM 297 CD2 LEU A 21 -0.688 -10.327 -5.966 1.00 1.14 C ATOM 0 H LEU A 21 1.864 -12.651 -3.455 1.00 0.75 H new ATOM 0 HA LEU A 21 1.199 -9.901 -3.961 1.00 0.79 H new ATOM 0 HB2 LEU A 21 -0.214 -12.544 -3.409 1.00 0.85 H new ATOM 0 HB3 LEU A 21 -1.167 -11.079 -3.538 1.00 0.85 H new ATOM 0 HG LEU A 21 0.905 -11.746 -5.658 1.00 0.93 H new ATOM 0 HD11 LEU A 21 -0.898 -12.862 -6.946 1.00 1.08 H new ATOM 0 HD12 LEU A 21 -0.572 -13.727 -5.425 1.00 1.08 H new ATOM 0 HD13 LEU A 21 -2.002 -12.677 -5.562 1.00 1.08 H new ATOM 0 HD21 LEU A 21 -0.626 -10.380 -7.053 1.00 1.14 H new ATOM 0 HD22 LEU A 21 -1.729 -10.201 -5.668 1.00 1.14 H new ATOM 0 HD23 LEU A 21 -0.103 -9.479 -5.610 1.00 1.14 H new ATOM 309 N ILE A 22 0.464 -10.963 -0.918 1.00 0.82 N ATOM 310 CA ILE A 22 0.175 -10.433 0.453 1.00 0.88 C ATOM 311 C ILE A 22 1.291 -9.465 0.865 1.00 0.88 C ATOM 312 O ILE A 22 1.036 -8.392 1.382 1.00 0.93 O ATOM 313 CB ILE A 22 0.133 -11.667 1.372 1.00 0.93 C ATOM 314 CG1 ILE A 22 -1.257 -12.303 1.298 1.00 1.07 C ATOM 315 CG2 ILE A 22 0.420 -11.267 2.826 1.00 1.12 C ATOM 316 CD1 ILE A 22 -1.231 -13.677 1.972 1.00 1.17 C ATOM 0 H ILE A 22 0.522 -11.979 -0.989 1.00 0.82 H new ATOM 0 HA ILE A 22 -0.764 -9.882 0.505 1.00 0.88 H new ATOM 0 HB ILE A 22 0.893 -12.375 1.042 1.00 0.93 H new ATOM 0 HG12 ILE A 22 -1.988 -11.660 1.788 1.00 1.07 H new ATOM 0 HG13 ILE A 22 -1.567 -12.403 0.258 1.00 1.07 H new ATOM 0 HG21 ILE A 22 0.386 -12.153 3.461 1.00 1.12 H new ATOM 0 HG22 ILE A 22 1.409 -10.813 2.890 1.00 1.12 H new ATOM 0 HG23 ILE A 22 -0.331 -10.551 3.161 1.00 1.12 H new ATOM 0 HD11 ILE A 22 -2.222 -14.128 1.918 1.00 1.17 H new ATOM 0 HD12 ILE A 22 -0.512 -14.319 1.462 1.00 1.17 H new ATOM 0 HD13 ILE A 22 -0.940 -13.564 3.016 1.00 1.17 H new ATOM 328 N ALA A 23 2.521 -9.831 0.618 1.00 0.85 N ATOM 329 CA ALA A 23 3.662 -8.931 0.975 1.00 0.90 C ATOM 330 C ALA A 23 3.570 -7.632 0.166 1.00 0.89 C ATOM 331 O ALA A 23 3.697 -6.549 0.707 1.00 0.94 O ATOM 332 CB ALA A 23 4.927 -9.716 0.608 1.00 0.94 C ATOM 0 H ALA A 23 2.787 -10.715 0.184 1.00 0.85 H new ATOM 0 HA ALA A 23 3.659 -8.652 2.029 1.00 0.90 H new ATOM 0 HB1 ALA A 23 5.807 -9.118 0.842 1.00 0.94 H new ATOM 0 HB2 ALA A 23 4.957 -10.645 1.178 1.00 0.94 H new ATOM 0 HB3 ALA A 23 4.917 -9.945 -0.458 1.00 0.94 H new ATOM 338 N ILE A 24 3.323 -7.728 -1.121 1.00 0.86 N ATOM 339 CA ILE A 24 3.192 -6.492 -1.956 1.00 0.89 C ATOM 340 C ILE A 24 2.049 -5.634 -1.401 1.00 0.88 C ATOM 341 O ILE A 24 2.195 -4.440 -1.196 1.00 0.92 O ATOM 342 CB ILE A 24 2.868 -6.986 -3.374 1.00 0.90 C ATOM 343 CG1 ILE A 24 4.106 -7.652 -3.983 1.00 0.98 C ATOM 344 CG2 ILE A 24 2.452 -5.804 -4.254 1.00 0.99 C ATOM 345 CD1 ILE A 24 3.702 -8.439 -5.231 1.00 1.02 C ATOM 0 H ILE A 24 3.207 -8.606 -1.626 1.00 0.86 H new ATOM 0 HA ILE A 24 4.095 -5.882 -1.952 1.00 0.89 H new ATOM 0 HB ILE A 24 2.051 -7.706 -3.320 1.00 0.90 H new ATOM 0 HG12 ILE A 24 4.848 -6.897 -4.241 1.00 0.98 H new ATOM 0 HG13 ILE A 24 4.569 -8.318 -3.255 1.00 0.98 H new ATOM 0 HG21 ILE A 24 2.224 -6.161 -5.258 1.00 0.99 H new ATOM 0 HG22 ILE A 24 1.569 -5.327 -3.829 1.00 0.99 H new ATOM 0 HG23 ILE A 24 3.267 -5.082 -4.302 1.00 0.99 H new ATOM 0 HD11 ILE A 24 4.583 -8.912 -5.664 1.00 1.02 H new ATOM 0 HD12 ILE A 24 2.975 -9.205 -4.959 1.00 1.02 H new ATOM 0 HD13 ILE A 24 3.259 -7.761 -5.961 1.00 1.02 H new ATOM 357 N ALA A 25 0.918 -6.245 -1.132 1.00 0.87 N ATOM 358 CA ALA A 25 -0.236 -5.485 -0.566 1.00 0.90 C ATOM 359 C ALA A 25 0.144 -4.902 0.796 1.00 0.92 C ATOM 360 O ALA A 25 -0.108 -3.742 1.081 1.00 0.95 O ATOM 361 CB ALA A 25 -1.361 -6.514 -0.429 1.00 0.93 C ATOM 0 H ALA A 25 0.747 -7.239 -1.282 1.00 0.87 H new ATOM 0 HA ALA A 25 -0.536 -4.647 -1.195 1.00 0.90 H new ATOM 0 HB1 ALA A 25 -2.248 -6.031 -0.018 1.00 0.93 H new ATOM 0 HB2 ALA A 25 -1.596 -6.929 -1.409 1.00 0.93 H new ATOM 0 HB3 ALA A 25 -1.042 -7.315 0.238 1.00 0.93 H new ATOM 367 N ALA A 26 0.773 -5.690 1.629 1.00 0.95 N ATOM 368 CA ALA A 26 1.200 -5.182 2.968 1.00 1.01 C ATOM 369 C ALA A 26 2.177 -4.018 2.778 1.00 1.03 C ATOM 370 O ALA A 26 2.057 -2.988 3.413 1.00 1.08 O ATOM 371 CB ALA A 26 1.882 -6.369 3.654 1.00 1.06 C ATOM 0 H ALA A 26 1.010 -6.664 1.440 1.00 0.95 H new ATOM 0 HA ALA A 26 0.367 -4.811 3.565 1.00 1.01 H new ATOM 0 HB1 ALA A 26 2.223 -6.070 4.645 1.00 1.06 H new ATOM 0 HB2 ALA A 26 1.173 -7.192 3.747 1.00 1.06 H new ATOM 0 HB3 ALA A 26 2.736 -6.692 3.059 1.00 1.06 H new ATOM 377 N LEU A 27 3.124 -4.163 1.882 1.00 1.02 N ATOM 378 CA LEU A 27 4.087 -3.057 1.617 1.00 1.07 C ATOM 379 C LEU A 27 3.315 -1.842 1.081 1.00 1.03 C ATOM 380 O LEU A 27 3.508 -0.724 1.533 1.00 1.08 O ATOM 381 CB LEU A 27 5.051 -3.616 0.563 1.00 1.10 C ATOM 382 CG LEU A 27 5.871 -2.477 -0.047 1.00 1.18 C ATOM 383 CD1 LEU A 27 7.351 -2.861 -0.064 1.00 1.36 C ATOM 384 CD2 LEU A 27 5.397 -2.219 -1.480 1.00 1.20 C ATOM 0 H LEU A 27 3.269 -5.004 1.323 1.00 1.02 H new ATOM 0 HA LEU A 27 4.626 -2.730 2.506 1.00 1.07 H new ATOM 0 HB2 LEU A 27 5.715 -4.351 1.018 1.00 1.10 H new ATOM 0 HB3 LEU A 27 4.492 -4.132 -0.217 1.00 1.10 H new ATOM 0 HG LEU A 27 5.737 -1.575 0.551 1.00 1.18 H new ATOM 0 HD11 LEU A 27 7.933 -2.048 -0.499 1.00 1.36 H new ATOM 0 HD12 LEU A 27 7.691 -3.046 0.955 1.00 1.36 H new ATOM 0 HD13 LEU A 27 7.486 -3.763 -0.660 1.00 1.36 H new ATOM 0 HD21 LEU A 27 5.980 -1.408 -1.916 1.00 1.20 H new ATOM 0 HD22 LEU A 27 5.530 -3.122 -2.075 1.00 1.20 H new ATOM 0 HD23 LEU A 27 4.343 -1.943 -1.470 1.00 1.20 H new ATOM 396 N GLY A 28 2.420 -2.057 0.141 1.00 0.99 N ATOM 397 CA GLY A 28 1.612 -0.927 -0.402 1.00 0.98 C ATOM 398 C GLY A 28 0.843 -0.275 0.751 1.00 0.98 C ATOM 399 O GLY A 28 0.798 0.937 0.870 1.00 1.01 O ATOM 0 H GLY A 28 2.218 -2.969 -0.270 1.00 0.99 H new ATOM 0 HA2 GLY A 28 2.261 -0.196 -0.885 1.00 0.98 H new ATOM 0 HA3 GLY A 28 0.919 -1.289 -1.162 1.00 0.98 H new ATOM 403 N ALA A 29 0.257 -1.074 1.614 1.00 0.99 N ATOM 404 CA ALA A 29 -0.491 -0.503 2.776 1.00 1.03 C ATOM 405 C ALA A 29 0.481 0.215 3.714 1.00 1.07 C ATOM 406 O ALA A 29 0.231 1.325 4.151 1.00 1.10 O ATOM 407 CB ALA A 29 -1.142 -1.706 3.468 1.00 1.08 C ATOM 0 H ALA A 29 0.266 -2.093 1.562 1.00 0.99 H new ATOM 0 HA ALA A 29 -1.239 0.230 2.474 1.00 1.03 H new ATOM 0 HB1 ALA A 29 -1.710 -1.364 4.333 1.00 1.08 H new ATOM 0 HB2 ALA A 29 -1.811 -2.209 2.770 1.00 1.08 H new ATOM 0 HB3 ALA A 29 -0.368 -2.401 3.793 1.00 1.08 H new ATOM 413 N LEU A 30 1.596 -0.401 4.000 1.00 1.12 N ATOM 414 CA LEU A 30 2.612 0.245 4.886 1.00 1.20 C ATOM 415 C LEU A 30 3.048 1.583 4.272 1.00 1.18 C ATOM 416 O LEU A 30 3.178 2.577 4.962 1.00 1.22 O ATOM 417 CB LEU A 30 3.787 -0.740 4.940 1.00 1.26 C ATOM 418 CG LEU A 30 3.639 -1.650 6.159 1.00 1.39 C ATOM 419 CD1 LEU A 30 4.449 -2.928 5.942 1.00 1.54 C ATOM 420 CD2 LEU A 30 4.163 -0.922 7.400 1.00 1.57 C ATOM 0 H LEU A 30 1.850 -1.328 3.658 1.00 1.12 H new ATOM 0 HA LEU A 30 2.226 0.456 5.883 1.00 1.20 H new ATOM 0 HB2 LEU A 30 3.815 -1.338 4.029 1.00 1.26 H new ATOM 0 HB3 LEU A 30 4.729 -0.195 4.993 1.00 1.26 H new ATOM 0 HG LEU A 30 2.588 -1.905 6.299 1.00 1.39 H new ATOM 0 HD11 LEU A 30 4.344 -3.577 6.811 1.00 1.54 H new ATOM 0 HD12 LEU A 30 4.082 -3.445 5.056 1.00 1.54 H new ATOM 0 HD13 LEU A 30 5.500 -2.674 5.804 1.00 1.54 H new ATOM 0 HD21 LEU A 30 4.059 -1.568 8.272 1.00 1.57 H new ATOM 0 HD22 LEU A 30 5.214 -0.671 7.258 1.00 1.57 H new ATOM 0 HD23 LEU A 30 3.589 -0.008 7.555 1.00 1.57 H new ATOM 432 N ILE A 31 3.241 1.618 2.975 1.00 1.13 N ATOM 433 CA ILE A 31 3.639 2.897 2.308 1.00 1.13 C ATOM 434 C ILE A 31 2.462 3.882 2.346 1.00 1.07 C ATOM 435 O ILE A 31 2.616 5.031 2.719 1.00 1.10 O ATOM 436 CB ILE A 31 3.994 2.501 0.866 1.00 1.15 C ATOM 437 CG1 ILE A 31 5.378 1.842 0.844 1.00 1.28 C ATOM 438 CG2 ILE A 31 4.013 3.744 -0.033 1.00 1.17 C ATOM 439 CD1 ILE A 31 5.593 1.139 -0.498 1.00 1.40 C ATOM 0 H ILE A 31 3.140 0.817 2.351 1.00 1.13 H new ATOM 0 HA ILE A 31 4.479 3.390 2.798 1.00 1.13 H new ATOM 0 HB ILE A 31 3.244 1.802 0.496 1.00 1.15 H new ATOM 0 HG12 ILE A 31 6.152 2.594 1.000 1.00 1.28 H new ATOM 0 HG13 ILE A 31 5.462 1.124 1.659 1.00 1.28 H new ATOM 0 HG21 ILE A 31 4.266 3.452 -1.052 1.00 1.17 H new ATOM 0 HG22 ILE A 31 3.030 4.215 -0.023 1.00 1.17 H new ATOM 0 HG23 ILE A 31 4.757 4.449 0.337 1.00 1.17 H new ATOM 0 HD11 ILE A 31 6.578 0.672 -0.510 1.00 1.40 H new ATOM 0 HD12 ILE A 31 4.827 0.376 -0.636 1.00 1.40 H new ATOM 0 HD13 ILE A 31 5.527 1.868 -1.305 1.00 1.40 H new ATOM 451 N LEU A 32 1.286 3.431 1.976 1.00 1.01 N ATOM 452 CA LEU A 32 0.089 4.328 2.002 1.00 0.99 C ATOM 453 C LEU A 32 -0.129 4.881 3.420 1.00 1.02 C ATOM 454 O LEU A 32 -0.290 6.072 3.610 1.00 1.03 O ATOM 455 CB LEU A 32 -1.084 3.433 1.582 1.00 0.99 C ATOM 456 CG LEU A 32 -2.226 4.296 1.042 1.00 1.46 C ATOM 457 CD1 LEU A 32 -2.642 3.790 -0.340 1.00 1.64 C ATOM 458 CD2 LEU A 32 -3.421 4.211 1.993 1.00 1.85 C ATOM 0 H LEU A 32 1.105 2.479 1.657 1.00 1.01 H new ATOM 0 HA LEU A 32 0.200 5.189 1.342 1.00 0.99 H new ATOM 0 HB2 LEU A 32 -0.759 2.725 0.819 1.00 0.99 H new ATOM 0 HB3 LEU A 32 -1.430 2.847 2.434 1.00 0.99 H new ATOM 0 HG LEU A 32 -1.892 5.331 0.965 1.00 1.46 H new ATOM 0 HD11 LEU A 32 -3.456 4.406 -0.723 1.00 1.64 H new ATOM 0 HD12 LEU A 32 -1.792 3.848 -1.020 1.00 1.64 H new ATOM 0 HD13 LEU A 32 -2.975 2.755 -0.263 1.00 1.64 H new ATOM 0 HD21 LEU A 32 -4.236 4.825 1.610 1.00 1.85 H new ATOM 0 HD22 LEU A 32 -3.752 3.175 2.069 1.00 1.85 H new ATOM 0 HD23 LEU A 32 -3.128 4.571 2.979 1.00 1.85 H new ATOM 470 N GLY A 33 -0.131 4.020 4.410 1.00 1.07 N ATOM 471 CA GLY A 33 -0.338 4.479 5.820 1.00 1.15 C ATOM 472 C GLY A 33 0.796 5.417 6.250 1.00 1.19 C ATOM 473 O GLY A 33 0.556 6.464 6.822 1.00 1.26 O ATOM 0 H GLY A 33 0.002 3.015 4.301 1.00 1.07 H new ATOM 0 HA2 GLY A 33 -1.295 4.993 5.905 1.00 1.15 H new ATOM 0 HA3 GLY A 33 -0.379 3.618 6.487 1.00 1.15 H new ATOM 988 N GLN A 66 1.605 22.261 -0.092 1.00 1.28 N ATOM 989 CA GLN A 66 1.014 21.471 -1.220 1.00 1.17 C ATOM 990 C GLN A 66 0.686 22.413 -2.382 1.00 1.15 C ATOM 991 O GLN A 66 1.001 22.141 -3.526 1.00 1.13 O ATOM 992 CB GLN A 66 -0.258 20.825 -0.651 1.00 1.15 C ATOM 993 CG GLN A 66 -0.561 19.528 -1.411 1.00 1.22 C ATOM 994 CD GLN A 66 -2.072 19.324 -1.500 1.00 1.30 C ATOM 995 OE1 GLN A 66 -2.684 19.663 -2.495 1.00 1.52 O ATOM 996 NE2 GLN A 66 -2.709 18.778 -0.503 1.00 1.41 N ATOM 0 HA GLN A 66 1.696 20.712 -1.603 1.00 1.17 H new ATOM 0 HB2 GLN A 66 -0.127 20.614 0.410 1.00 1.15 H new ATOM 0 HB3 GLN A 66 -1.098 21.514 -0.738 1.00 1.15 H new ATOM 0 HG2 GLN A 66 -0.131 19.573 -2.412 1.00 1.22 H new ATOM 0 HG3 GLN A 66 -0.099 18.681 -0.903 1.00 1.22 H new ATOM 0 HE21 GLN A 66 -2.199 18.492 0.333 1.00 1.41 H new ATOM 0 HE22 GLN A 66 -3.718 18.636 -0.559 1.00 1.41 H new ATOM 1005 N TYR A 67 0.091 23.538 -2.086 1.00 1.22 N ATOM 1006 CA TYR A 67 -0.230 24.535 -3.156 1.00 1.26 C ATOM 1007 C TYR A 67 1.075 25.134 -3.682 1.00 1.31 C ATOM 1008 O TYR A 67 1.262 25.317 -4.872 1.00 1.29 O ATOM 1009 CB TYR A 67 -1.067 25.617 -2.464 1.00 1.38 C ATOM 1010 CG TYR A 67 -2.495 25.565 -2.952 1.00 1.54 C ATOM 1011 CD1 TYR A 67 -3.398 24.663 -2.383 1.00 1.91 C ATOM 1012 CD2 TYR A 67 -2.919 26.429 -3.968 1.00 1.85 C ATOM 1013 CE1 TYR A 67 -4.725 24.624 -2.830 1.00 2.38 C ATOM 1014 CE2 TYR A 67 -4.244 26.387 -4.416 1.00 2.33 C ATOM 1015 CZ TYR A 67 -5.145 25.486 -3.845 1.00 2.54 C ATOM 1016 OH TYR A 67 -6.453 25.449 -4.277 1.00 3.16 O ATOM 0 H TYR A 67 -0.189 23.813 -1.145 1.00 1.22 H new ATOM 0 HA TYR A 67 -0.764 24.093 -3.997 1.00 1.26 H new ATOM 0 HB2 TYR A 67 -1.039 25.473 -1.384 1.00 1.38 H new ATOM 0 HB3 TYR A 67 -0.642 26.600 -2.666 1.00 1.38 H new ATOM 0 HD1 TYR A 67 -3.073 23.996 -1.598 1.00 1.91 H new ATOM 0 HD2 TYR A 67 -2.223 27.129 -4.407 1.00 1.85 H new ATOM 0 HE1 TYR A 67 -5.423 23.927 -2.390 1.00 2.38 H new ATOM 0 HE2 TYR A 67 -4.570 27.051 -5.203 1.00 2.33 H new ATOM 0 HH TYR A 67 -6.582 26.112 -4.987 1.00 3.16 H new ATOM 1026 N SER A 68 1.979 25.426 -2.784 1.00 1.43 N ATOM 1027 CA SER A 68 3.300 26.006 -3.179 1.00 1.55 C ATOM 1028 C SER A 68 4.049 25.044 -4.106 1.00 1.46 C ATOM 1029 O SER A 68 4.703 25.464 -5.037 1.00 1.50 O ATOM 1030 CB SER A 68 4.074 26.194 -1.871 1.00 1.70 C ATOM 1031 OG SER A 68 3.389 27.131 -1.046 1.00 1.82 O ATOM 0 H SER A 68 1.858 25.286 -1.781 1.00 1.43 H new ATOM 0 HA SER A 68 3.183 26.946 -3.719 1.00 1.55 H new ATOM 0 HB2 SER A 68 4.171 25.240 -1.353 1.00 1.70 H new ATOM 0 HB3 SER A 68 5.084 26.547 -2.081 1.00 1.70 H new ATOM 0 HG SER A 68 3.882 27.251 -0.208 1.00 1.82 H new ATOM 1037 N ALA A 69 3.959 23.758 -3.862 1.00 1.40 N ATOM 1038 CA ALA A 69 4.671 22.775 -4.739 1.00 1.37 C ATOM 1039 C ALA A 69 3.827 22.440 -5.976 1.00 1.20 C ATOM 1040 O ALA A 69 4.338 22.337 -7.080 1.00 1.23 O ATOM 1041 CB ALA A 69 4.878 21.528 -3.870 1.00 1.40 C ATOM 0 H ALA A 69 3.425 23.348 -3.096 1.00 1.40 H new ATOM 0 HA ALA A 69 5.617 23.173 -5.107 1.00 1.37 H new ATOM 0 HB1 ALA A 69 5.396 20.763 -4.449 1.00 1.40 H new ATOM 0 HB2 ALA A 69 5.476 21.788 -2.996 1.00 1.40 H new ATOM 0 HB3 ALA A 69 3.910 21.145 -3.546 1.00 1.40 H new ATOM 1047 N LYS A 70 2.543 22.265 -5.801 1.00 1.08 N ATOM 1048 CA LYS A 70 1.664 21.927 -6.964 1.00 0.97 C ATOM 1049 C LYS A 70 1.596 23.081 -7.971 1.00 0.99 C ATOM 1050 O LYS A 70 1.525 22.853 -9.154 1.00 0.96 O ATOM 1051 CB LYS A 70 0.282 21.600 -6.371 1.00 0.93 C ATOM 1052 CG LYS A 70 -0.629 22.836 -6.370 1.00 0.98 C ATOM 1053 CD LYS A 70 -2.065 22.407 -6.040 1.00 1.00 C ATOM 1054 CE LYS A 70 -2.127 21.858 -4.611 1.00 0.99 C ATOM 1055 NZ LYS A 70 -2.690 20.483 -4.745 1.00 1.04 N ATOM 0 H LYS A 70 2.064 22.341 -4.904 1.00 1.08 H new ATOM 0 HA LYS A 70 2.057 21.079 -7.524 1.00 0.97 H new ATOM 0 HB2 LYS A 70 -0.185 20.802 -6.948 1.00 0.93 H new ATOM 0 HB3 LYS A 70 0.399 21.230 -5.352 1.00 0.93 H new ATOM 0 HG2 LYS A 70 -0.276 23.561 -5.637 1.00 0.98 H new ATOM 0 HG3 LYS A 70 -0.598 23.326 -7.343 1.00 0.98 H new ATOM 0 HD2 LYS A 70 -2.741 23.256 -6.143 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -2.399 21.647 -6.746 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -1.138 21.836 -4.154 1.00 0.99 H new ATOM 0 HE3 LYS A 70 -2.757 22.481 -3.976 1.00 0.99 H new ATOM 0 HZ1 LYS A 70 -2.714 20.025 -3.811 1.00 1.04 H new ATOM 0 HZ2 LYS A 70 -3.655 20.539 -5.129 1.00 1.04 H new ATOM 0 HZ3 LYS A 70 -2.093 19.925 -5.389 1.00 1.04 H new ATOM 1069 N GLY A 71 1.625 24.309 -7.519 1.00 1.11 N ATOM 1070 CA GLY A 71 1.568 25.469 -8.476 1.00 1.19 C ATOM 1071 C GLY A 71 2.589 25.263 -9.599 1.00 1.16 C ATOM 1072 O GLY A 71 2.217 25.152 -10.754 1.00 1.10 O ATOM 0 H GLY A 71 1.685 24.564 -6.533 1.00 1.11 H new ATOM 0 HA2 GLY A 71 0.566 25.558 -8.895 1.00 1.19 H new ATOM 0 HA3 GLY A 71 1.777 26.399 -7.948 1.00 1.19 H new ATOM 1076 N PRO A 72 3.848 25.192 -9.227 1.00 1.26 N ATOM 1077 CA PRO A 72 4.916 24.963 -10.229 1.00 1.31 C ATOM 1078 C PRO A 72 4.780 23.553 -10.824 1.00 1.19 C ATOM 1079 O PRO A 72 4.946 23.361 -12.012 1.00 1.20 O ATOM 1080 CB PRO A 72 6.208 25.127 -9.426 1.00 1.52 C ATOM 1081 CG PRO A 72 5.814 24.840 -8.015 1.00 1.51 C ATOM 1082 CD PRO A 72 4.393 25.312 -7.866 1.00 1.39 C ATOM 0 HA PRO A 72 4.879 25.647 -11.077 1.00 1.31 H new ATOM 0 HB2 PRO A 72 6.979 24.438 -9.770 1.00 1.52 H new ATOM 0 HB3 PRO A 72 6.613 26.134 -9.528 1.00 1.52 H new ATOM 0 HG2 PRO A 72 5.894 23.775 -7.799 1.00 1.51 H new ATOM 0 HG3 PRO A 72 6.470 25.358 -7.316 1.00 1.51 H new ATOM 0 HD2 PRO A 72 3.838 24.699 -7.156 1.00 1.39 H new ATOM 0 HD3 PRO A 72 4.347 26.339 -7.504 1.00 1.39 H new ATOM 1090 N CYS A 73 4.451 22.564 -10.019 1.00 1.13 N ATOM 1091 CA CYS A 73 4.279 21.181 -10.572 1.00 1.09 C ATOM 1092 C CYS A 73 3.135 21.173 -11.589 1.00 0.98 C ATOM 1093 O CYS A 73 3.273 20.680 -12.692 1.00 1.04 O ATOM 1094 CB CYS A 73 3.935 20.291 -9.377 1.00 1.10 C ATOM 1095 SG CYS A 73 3.203 18.749 -9.981 1.00 1.31 S ATOM 0 H CYS A 73 4.296 22.655 -9.015 1.00 1.13 H new ATOM 0 HA CYS A 73 5.177 20.830 -11.081 1.00 1.09 H new ATOM 0 HB2 CYS A 73 4.832 20.079 -8.795 1.00 1.10 H new ATOM 0 HB3 CYS A 73 3.238 20.804 -8.714 1.00 1.10 H new ATOM 0 HG CYS A 73 2.909 17.984 -8.972 1.00 1.31 H new ATOM 1101 N VAL A 74 2.015 21.740 -11.224 1.00 0.89 N ATOM 1102 CA VAL A 74 0.853 21.806 -12.160 1.00 0.88 C ATOM 1103 C VAL A 74 1.295 22.534 -13.418 1.00 0.92 C ATOM 1104 O VAL A 74 1.121 22.046 -14.514 1.00 1.00 O ATOM 1105 CB VAL A 74 -0.245 22.578 -11.415 1.00 0.92 C ATOM 1106 CG1 VAL A 74 -1.320 23.038 -12.403 1.00 1.06 C ATOM 1107 CG2 VAL A 74 -0.891 21.670 -10.366 1.00 0.98 C ATOM 0 H VAL A 74 1.854 22.164 -10.310 1.00 0.89 H new ATOM 0 HA VAL A 74 0.483 20.825 -12.457 1.00 0.88 H new ATOM 0 HB VAL A 74 0.201 23.446 -10.929 1.00 0.92 H new ATOM 0 HG11 VAL A 74 -2.096 23.585 -11.868 1.00 1.06 H new ATOM 0 HG12 VAL A 74 -0.870 23.688 -13.154 1.00 1.06 H new ATOM 0 HG13 VAL A 74 -1.760 22.169 -12.892 1.00 1.06 H new ATOM 0 HG21 VAL A 74 -1.670 22.220 -9.839 1.00 0.98 H new ATOM 0 HG22 VAL A 74 -1.330 20.801 -10.857 1.00 0.98 H new ATOM 0 HG23 VAL A 74 -0.134 21.341 -9.654 1.00 0.98 H new ATOM 1117 N GLU A 75 1.905 23.675 -13.261 1.00 0.93 N ATOM 1118 CA GLU A 75 2.408 24.417 -14.455 1.00 1.00 C ATOM 1119 C GLU A 75 3.380 23.520 -15.239 1.00 1.09 C ATOM 1120 O GLU A 75 3.374 23.484 -16.454 1.00 1.17 O ATOM 1121 CB GLU A 75 3.135 25.642 -13.891 1.00 1.11 C ATOM 1122 CG GLU A 75 3.697 26.478 -15.044 1.00 1.24 C ATOM 1123 CD GLU A 75 2.561 27.212 -15.750 1.00 1.26 C ATOM 1124 OE1 GLU A 75 1.876 26.585 -16.548 1.00 1.24 O ATOM 1125 OE2 GLU A 75 2.400 28.392 -15.499 1.00 1.58 O ATOM 0 H GLU A 75 2.078 24.126 -12.363 1.00 0.93 H new ATOM 0 HA GLU A 75 1.610 24.708 -15.137 1.00 1.00 H new ATOM 0 HB2 GLU A 75 2.449 26.242 -13.293 1.00 1.11 H new ATOM 0 HB3 GLU A 75 3.942 25.327 -13.229 1.00 1.11 H new ATOM 0 HG2 GLU A 75 4.425 27.195 -14.665 1.00 1.24 H new ATOM 0 HG3 GLU A 75 4.221 25.834 -15.750 1.00 1.24 H new ATOM 1132 N ARG A 76 4.204 22.789 -14.534 1.00 1.15 N ATOM 1133 CA ARG A 76 5.190 21.875 -15.195 1.00 1.34 C ATOM 1134 C ARG A 76 4.476 20.764 -15.984 1.00 1.38 C ATOM 1135 O ARG A 76 4.718 20.585 -17.163 1.00 1.50 O ATOM 1136 CB ARG A 76 6.013 21.278 -14.046 1.00 1.44 C ATOM 1137 CG ARG A 76 7.273 20.603 -14.602 1.00 1.50 C ATOM 1138 CD ARG A 76 7.456 19.229 -13.946 1.00 1.47 C ATOM 1139 NE ARG A 76 8.271 19.484 -12.715 1.00 1.51 N ATOM 1140 CZ ARG A 76 7.822 19.125 -11.551 1.00 1.31 C ATOM 1141 NH1 ARG A 76 7.834 17.876 -11.207 1.00 1.27 N ATOM 1142 NH2 ARG A 76 7.387 20.019 -10.723 1.00 1.44 N ATOM 0 H ARG A 76 4.238 22.785 -13.515 1.00 1.15 H new ATOM 0 HA ARG A 76 5.812 22.407 -15.914 1.00 1.34 H new ATOM 0 HB2 ARG A 76 6.291 22.061 -13.341 1.00 1.44 H new ATOM 0 HB3 ARG A 76 5.413 20.552 -13.496 1.00 1.44 H new ATOM 0 HG2 ARG A 76 7.191 20.492 -15.683 1.00 1.50 H new ATOM 0 HG3 ARG A 76 8.146 21.227 -14.411 1.00 1.50 H new ATOM 0 HD2 ARG A 76 6.494 18.782 -13.695 1.00 1.47 H new ATOM 0 HD3 ARG A 76 7.964 18.537 -14.618 1.00 1.47 H new ATOM 0 HE ARG A 76 9.180 19.940 -12.792 1.00 1.51 H new ATOM 0 HH11 ARG A 76 8.197 17.173 -11.851 1.00 1.27 H new ATOM 0 HH12 ARG A 76 7.481 17.596 -10.292 1.00 1.27 H new ATOM 0 HH21 ARG A 76 7.397 21.005 -10.985 1.00 1.44 H new ATOM 0 HH22 ARG A 76 7.034 19.738 -9.808 1.00 1.44 H new ATOM 1156 N LYS A 77 3.603 20.013 -15.350 1.00 1.33 N ATOM 1157 CA LYS A 77 2.893 18.917 -16.086 1.00 1.47 C ATOM 1158 C LYS A 77 1.885 19.502 -17.085 1.00 1.44 C ATOM 1159 O LYS A 77 1.669 18.958 -18.154 1.00 1.60 O ATOM 1160 CB LYS A 77 2.213 18.043 -15.010 1.00 1.46 C ATOM 1161 CG LYS A 77 1.068 18.797 -14.318 1.00 1.28 C ATOM 1162 CD LYS A 77 0.218 17.807 -13.503 1.00 1.52 C ATOM 1163 CE LYS A 77 0.199 18.223 -12.025 1.00 1.75 C ATOM 1164 NZ LYS A 77 -1.153 17.843 -11.513 1.00 1.71 N ATOM 0 H LYS A 77 3.354 20.110 -14.366 1.00 1.33 H new ATOM 0 HA LYS A 77 3.581 18.314 -16.679 1.00 1.47 H new ATOM 0 HB2 LYS A 77 1.827 17.133 -15.469 1.00 1.46 H new ATOM 0 HB3 LYS A 77 2.950 17.737 -14.268 1.00 1.46 H new ATOM 0 HG2 LYS A 77 1.471 19.570 -13.664 1.00 1.28 H new ATOM 0 HG3 LYS A 77 0.448 19.299 -15.061 1.00 1.28 H new ATOM 0 HD2 LYS A 77 -0.799 17.780 -13.895 1.00 1.52 H new ATOM 0 HD3 LYS A 77 0.624 16.800 -13.601 1.00 1.52 H new ATOM 0 HE2 LYS A 77 0.986 17.716 -11.466 1.00 1.75 H new ATOM 0 HE3 LYS A 77 0.371 19.294 -11.918 1.00 1.75 H new ATOM 0 HZ1 LYS A 77 -1.229 18.101 -10.508 1.00 1.71 H new ATOM 0 HZ2 LYS A 77 -1.884 18.346 -12.056 1.00 1.71 H new ATOM 0 HZ3 LYS A 77 -1.288 16.817 -11.618 1.00 1.71 H new ATOM 1178 N ALA A 78 1.291 20.621 -16.759 1.00 1.29 N ATOM 1179 CA ALA A 78 0.321 21.261 -17.698 1.00 1.32 C ATOM 1180 C ALA A 78 1.062 21.774 -18.930 1.00 1.37 C ATOM 1181 O ALA A 78 0.663 21.525 -20.043 1.00 1.51 O ATOM 1182 CB ALA A 78 -0.308 22.419 -16.918 1.00 1.20 C ATOM 0 H ALA A 78 1.436 21.120 -15.881 1.00 1.29 H new ATOM 0 HA ALA A 78 -0.440 20.563 -18.046 1.00 1.32 H new ATOM 0 HB1 ALA A 78 -1.032 22.933 -17.550 1.00 1.20 H new ATOM 0 HB2 ALA A 78 -0.811 22.030 -16.033 1.00 1.20 H new ATOM 0 HB3 ALA A 78 0.471 23.119 -16.615 1.00 1.20 H new ATOM 1188 N LYS A 79 2.147 22.470 -18.738 1.00 1.32 N ATOM 1189 CA LYS A 79 2.928 22.983 -19.910 1.00 1.43 C ATOM 1190 C LYS A 79 3.549 21.809 -20.674 1.00 1.64 C ATOM 1191 O LYS A 79 3.507 21.756 -21.887 1.00 1.79 O ATOM 1192 CB LYS A 79 4.021 23.875 -19.319 1.00 1.45 C ATOM 1193 CG LYS A 79 3.400 25.160 -18.776 1.00 1.34 C ATOM 1194 CD LYS A 79 3.378 26.224 -19.875 1.00 1.38 C ATOM 1195 CE LYS A 79 3.531 27.609 -19.245 1.00 1.42 C ATOM 1196 NZ LYS A 79 2.188 27.926 -18.678 1.00 1.33 N ATOM 0 H LYS A 79 2.531 22.708 -17.823 1.00 1.32 H new ATOM 0 HA LYS A 79 2.301 23.533 -20.611 1.00 1.43 H new ATOM 0 HB2 LYS A 79 4.543 23.347 -18.521 1.00 1.45 H new ATOM 0 HB3 LYS A 79 4.762 24.112 -20.082 1.00 1.45 H new ATOM 0 HG2 LYS A 79 2.387 24.966 -18.424 1.00 1.34 H new ATOM 0 HG3 LYS A 79 3.972 25.519 -17.920 1.00 1.34 H new ATOM 0 HD2 LYS A 79 4.185 26.045 -20.586 1.00 1.38 H new ATOM 0 HD3 LYS A 79 2.443 26.167 -20.433 1.00 1.38 H new ATOM 0 HE2 LYS A 79 4.297 27.607 -18.469 1.00 1.42 H new ATOM 0 HE3 LYS A 79 3.831 28.349 -19.987 1.00 1.42 H new ATOM 0 HZ1 LYS A 79 2.231 28.832 -18.169 1.00 1.33 H new ATOM 0 HZ2 LYS A 79 1.493 27.994 -19.449 1.00 1.33 H new ATOM 0 HZ3 LYS A 79 1.902 27.173 -18.020 1.00 1.33 H new ATOM 1210 N LEU A 80 4.123 20.866 -19.963 1.00 1.70 N ATOM 1211 CA LEU A 80 4.750 19.685 -20.631 1.00 1.96 C ATOM 1212 C LEU A 80 3.706 18.872 -21.416 1.00 2.06 C ATOM 1213 O LEU A 80 4.003 18.320 -22.457 1.00 2.28 O ATOM 1214 CB LEU A 80 5.351 18.856 -19.485 1.00 2.01 C ATOM 1215 CG LEU A 80 6.111 17.658 -20.057 1.00 2.33 C ATOM 1216 CD1 LEU A 80 7.614 17.904 -19.928 1.00 2.56 C ATOM 1217 CD2 LEU A 80 5.738 16.396 -19.277 1.00 2.50 C ATOM 0 H LEU A 80 4.183 20.866 -18.945 1.00 1.70 H new ATOM 0 HA LEU A 80 5.505 19.981 -21.359 1.00 1.96 H new ATOM 0 HB2 LEU A 80 6.023 19.474 -18.890 1.00 2.01 H new ATOM 0 HB3 LEU A 80 4.560 18.512 -18.819 1.00 2.01 H new ATOM 0 HG LEU A 80 5.848 17.529 -21.107 1.00 2.33 H new ATOM 0 HD11 LEU A 80 8.158 17.052 -20.335 1.00 2.56 H new ATOM 0 HD12 LEU A 80 7.884 18.804 -20.480 1.00 2.56 H new ATOM 0 HD13 LEU A 80 7.873 18.032 -18.877 1.00 2.56 H new ATOM 0 HD21 LEU A 80 6.280 15.543 -19.685 1.00 2.50 H new ATOM 0 HD22 LEU A 80 6.002 16.526 -18.227 1.00 2.50 H new ATOM 0 HD23 LEU A 80 4.666 16.219 -19.362 1.00 2.50 H new