USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 423 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.988 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.085) USER MOD Single : A 36 SER OG : rot -56:sc= 0.0524 USER MOD Single : A 37 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.9!) USER MOD Single : A 45 LYS NZ :NH3+ 138:sc= 0.688 (180deg=0.0381) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0447 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1 K(o=-1,f=-0.25) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= -0.18 (180deg=-0.18) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -154:sc=0.000449 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N VAL A 8 10.438 -2.123 6.070 1.00 0.00 N ATOM 110 CA VAL A 8 8.961 -2.119 6.287 1.00 0.00 C ATOM 111 C VAL A 8 8.466 -0.671 6.286 1.00 0.00 C ATOM 112 O VAL A 8 8.888 0.139 7.087 1.00 0.00 O ATOM 113 CB VAL A 8 8.644 -2.773 7.633 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.154 -2.614 7.943 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.993 -4.261 7.569 1.00 0.00 C ATOM 0 HA VAL A 8 8.465 -2.677 5.493 1.00 0.00 H new ATOM 0 HB VAL A 8 9.230 -2.292 8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.930 -3.081 8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.903 -1.554 7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.566 -3.094 7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.768 -4.729 8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.406 -4.739 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.054 -4.377 7.349 1.00 0.00 H new ATOM 125 N TYR A 9 7.587 -0.330 5.379 1.00 0.00 N ATOM 126 CA TYR A 9 7.086 1.077 5.316 1.00 0.00 C ATOM 127 C TYR A 9 5.665 1.153 5.873 1.00 0.00 C ATOM 128 O TYR A 9 4.790 0.415 5.468 1.00 0.00 O ATOM 129 CB TYR A 9 7.053 1.558 3.862 1.00 0.00 C ATOM 130 CG TYR A 9 8.432 1.974 3.402 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.577 1.430 3.996 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.559 2.904 2.364 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.847 1.817 3.552 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.828 3.287 1.919 1.00 0.00 C ATOM 135 CZ TYR A 9 10.970 2.744 2.511 1.00 0.00 C ATOM 136 OH TYR A 9 12.219 3.116 2.062 1.00 0.00 O ATOM 0 H TYR A 9 7.195 -0.962 4.681 1.00 0.00 H new ATOM 0 HA TYR A 9 7.755 1.704 5.905 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.675 0.763 3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.365 2.398 3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.481 0.712 4.797 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.676 3.326 1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.731 1.401 4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.925 4.003 1.117 1.00 0.00 H new ATOM 0 HH TYR A 9 12.125 3.766 1.335 1.00 0.00 H new ATOM 146 N THR A 10 5.421 2.058 6.776 1.00 0.00 N ATOM 147 CA THR A 10 4.047 2.195 7.329 1.00 0.00 C ATOM 148 C THR A 10 3.186 2.923 6.302 1.00 0.00 C ATOM 149 O THR A 10 3.273 4.124 6.142 1.00 0.00 O ATOM 150 CB THR A 10 4.079 2.998 8.629 1.00 0.00 C ATOM 151 OG1 THR A 10 5.199 2.596 9.406 1.00 0.00 O ATOM 152 CG2 THR A 10 2.791 2.741 9.409 1.00 0.00 C ATOM 0 H THR A 10 6.111 2.707 7.154 1.00 0.00 H new ATOM 0 HA THR A 10 3.635 1.208 7.540 1.00 0.00 H new ATOM 0 HB THR A 10 4.162 4.061 8.404 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.221 3.112 10.239 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.808 3.311 10.338 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.935 3.050 8.809 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.710 1.678 9.637 1.00 0.00 H new ATOM 160 N GLY A 11 2.370 2.202 5.591 1.00 0.00 N ATOM 161 CA GLY A 11 1.519 2.847 4.557 1.00 0.00 C ATOM 162 C GLY A 11 0.295 3.496 5.204 1.00 0.00 C ATOM 163 O GLY A 11 -0.556 2.829 5.762 1.00 0.00 O ATOM 0 H GLY A 11 2.255 1.192 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.096 3.599 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.201 2.105 3.824 1.00 0.00 H new ATOM 167 N LYS A 12 0.191 4.795 5.110 1.00 0.00 N ATOM 168 CA LYS A 12 -0.989 5.491 5.690 1.00 0.00 C ATOM 169 C LYS A 12 -2.073 5.543 4.619 1.00 0.00 C ATOM 170 O LYS A 12 -1.785 5.587 3.438 1.00 0.00 O ATOM 171 CB LYS A 12 -0.612 6.919 6.099 1.00 0.00 C ATOM 172 CG LYS A 12 0.846 6.954 6.565 1.00 0.00 C ATOM 173 CD LYS A 12 1.150 8.323 7.177 1.00 0.00 C ATOM 174 CE LYS A 12 1.969 8.143 8.456 1.00 0.00 C ATOM 175 NZ LYS A 12 2.091 9.454 9.156 1.00 0.00 N ATOM 0 H LYS A 12 0.873 5.402 4.656 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.340 4.958 6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.751 7.597 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.268 7.264 6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.024 6.168 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.513 6.763 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.700 8.937 6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.221 8.848 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.489 7.413 9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.958 7.753 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.648 9.333 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.567 10.137 8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.143 9.808 9.398 1.00 0.00 H new ATOM 189 N VAL A 13 -3.315 5.538 5.005 1.00 0.00 N ATOM 190 CA VAL A 13 -4.389 5.572 3.981 1.00 0.00 C ATOM 191 C VAL A 13 -4.687 7.021 3.621 1.00 0.00 C ATOM 192 O VAL A 13 -5.280 7.756 4.386 1.00 0.00 O ATOM 193 CB VAL A 13 -5.654 4.926 4.546 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.799 5.070 3.542 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.395 3.444 4.820 1.00 0.00 C ATOM 0 H VAL A 13 -3.630 5.512 5.975 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.066 5.027 3.094 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.927 5.423 5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.699 4.608 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.987 6.127 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.528 4.577 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.298 2.985 5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.118 2.945 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.584 3.344 5.542 1.00 0.00 H new ATOM 205 N THR A 14 -4.270 7.439 2.462 1.00 0.00 N ATOM 206 CA THR A 14 -4.515 8.843 2.049 1.00 0.00 C ATOM 207 C THR A 14 -5.474 8.857 0.855 1.00 0.00 C ATOM 208 O THR A 14 -6.182 9.816 0.628 1.00 0.00 O ATOM 209 CB THR A 14 -3.185 9.503 1.663 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.987 9.390 0.262 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.033 8.817 2.403 1.00 0.00 C ATOM 0 H THR A 14 -3.769 6.867 1.782 1.00 0.00 H new ATOM 0 HA THR A 14 -4.960 9.399 2.874 1.00 0.00 H new ATOM 0 HB THR A 14 -3.212 10.557 1.940 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.138 9.813 0.016 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.090 9.289 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.184 8.912 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.004 7.762 2.132 1.00 0.00 H new ATOM 219 N ARG A 15 -5.510 7.790 0.095 1.00 0.00 N ATOM 220 CA ARG A 15 -6.429 7.742 -1.081 1.00 0.00 C ATOM 221 C ARG A 15 -6.986 6.323 -1.253 1.00 0.00 C ATOM 222 O ARG A 15 -6.359 5.349 -0.888 1.00 0.00 O ATOM 223 CB ARG A 15 -5.663 8.139 -2.350 1.00 0.00 C ATOM 224 CG ARG A 15 -5.362 9.640 -2.321 1.00 0.00 C ATOM 225 CD ARG A 15 -3.863 9.866 -2.518 1.00 0.00 C ATOM 226 NE ARG A 15 -3.534 9.772 -3.968 1.00 0.00 N ATOM 227 CZ ARG A 15 -2.377 10.188 -4.404 1.00 0.00 C ATOM 228 NH1 ARG A 15 -1.307 10.027 -3.675 1.00 0.00 N ATOM 229 NH2 ARG A 15 -2.291 10.768 -5.570 1.00 0.00 N ATOM 0 H ARG A 15 -4.944 6.954 0.239 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.252 8.437 -0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.734 7.573 -2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.252 7.893 -3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.923 10.149 -3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.683 10.067 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.578 10.845 -2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.295 9.124 -1.956 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.214 9.382 -4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.374 9.575 -2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.403 10.353 -4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.128 10.896 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.387 11.094 -5.912 1.00 0.00 H new ATOM 243 N ILE A 16 -8.159 6.207 -1.819 1.00 0.00 N ATOM 244 CA ILE A 16 -8.771 4.863 -2.042 1.00 0.00 C ATOM 245 C ILE A 16 -9.446 4.863 -3.414 1.00 0.00 C ATOM 246 O ILE A 16 -9.818 5.901 -3.924 1.00 0.00 O ATOM 247 CB ILE A 16 -9.802 4.577 -0.949 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.104 4.599 0.414 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.423 3.195 -1.186 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.083 4.166 1.503 1.00 0.00 C ATOM 0 H ILE A 16 -8.724 6.993 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.005 4.089 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.586 5.334 -0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.241 3.933 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.730 5.601 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.158 2.988 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.911 3.178 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.642 2.435 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.582 4.183 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.932 4.849 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.435 3.156 1.295 1.00 0.00 H new ATOM 262 N VAL A 17 -9.594 3.723 -4.034 1.00 0.00 N ATOM 263 CA VAL A 17 -10.227 3.713 -5.384 1.00 0.00 C ATOM 264 C VAL A 17 -11.268 2.582 -5.478 1.00 0.00 C ATOM 265 O VAL A 17 -11.184 1.580 -4.799 1.00 0.00 O ATOM 266 CB VAL A 17 -9.137 3.537 -6.466 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.770 3.919 -5.908 1.00 0.00 C ATOM 268 CG2 VAL A 17 -9.063 2.090 -6.927 1.00 0.00 C ATOM 0 H VAL A 17 -9.309 2.813 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.738 4.662 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.401 4.182 -7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.012 3.790 -6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.786 4.960 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.533 3.280 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.289 1.990 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.822 1.450 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.024 1.792 -7.345 1.00 0.00 H new ATOM 278 N ASP A 18 -12.239 2.729 -6.331 1.00 0.00 N ATOM 279 CA ASP A 18 -13.265 1.658 -6.474 1.00 0.00 C ATOM 280 C ASP A 18 -12.584 0.347 -6.885 1.00 0.00 C ATOM 281 O ASP A 18 -12.899 -0.711 -6.383 1.00 0.00 O ATOM 282 CB ASP A 18 -14.279 2.067 -7.545 1.00 0.00 C ATOM 283 CG ASP A 18 -14.631 3.546 -7.374 1.00 0.00 C ATOM 284 OD1 ASP A 18 -14.904 3.944 -6.254 1.00 0.00 O ATOM 285 OD2 ASP A 18 -14.623 4.255 -8.367 1.00 0.00 O ATOM 0 H ASP A 18 -12.369 3.541 -6.935 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.778 1.515 -5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.865 1.893 -8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.178 1.456 -7.462 1.00 0.00 H new ATOM 290 N PHE A 19 -11.653 0.411 -7.800 1.00 0.00 N ATOM 291 CA PHE A 19 -10.954 -0.831 -8.249 1.00 0.00 C ATOM 292 C PHE A 19 -9.705 -1.069 -7.395 1.00 0.00 C ATOM 293 O PHE A 19 -8.750 -1.669 -7.848 1.00 0.00 O ATOM 294 CB PHE A 19 -10.526 -0.674 -9.711 1.00 0.00 C ATOM 295 CG PHE A 19 -9.845 0.660 -9.877 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.552 0.850 -9.375 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.512 1.714 -10.512 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.928 2.096 -9.507 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.887 2.959 -10.641 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.595 3.149 -10.136 1.00 0.00 C ATOM 0 H PHE A 19 -11.346 1.270 -8.257 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.635 -1.676 -8.144 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.850 -1.481 -9.995 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.394 -0.739 -10.367 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.037 0.036 -8.887 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.508 1.566 -10.902 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.930 2.243 -9.122 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.401 3.773 -11.130 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.114 4.111 -10.233 1.00 0.00 H new ATOM 310 N GLY A 20 -9.682 -0.606 -6.173 1.00 0.00 N ATOM 311 CA GLY A 20 -8.465 -0.824 -5.340 1.00 0.00 C ATOM 312 C GLY A 20 -8.341 0.248 -4.251 1.00 0.00 C ATOM 313 O GLY A 20 -9.311 0.815 -3.800 1.00 0.00 O ATOM 0 H GLY A 20 -10.440 -0.094 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.508 -1.811 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.579 -0.806 -5.974 1.00 0.00 H new ATOM 317 N ALA A 21 -7.140 0.524 -3.822 1.00 0.00 N ATOM 318 CA ALA A 21 -6.938 1.549 -2.766 1.00 0.00 C ATOM 319 C ALA A 21 -5.576 2.203 -2.961 1.00 0.00 C ATOM 320 O ALA A 21 -4.623 1.561 -3.342 1.00 0.00 O ATOM 321 CB ALA A 21 -6.969 0.890 -1.387 1.00 0.00 C ATOM 0 H ALA A 21 -6.287 0.080 -4.161 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.732 2.293 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.820 1.648 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.934 0.405 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.175 0.146 -1.321 1.00 0.00 H new ATOM 327 N PHE A 22 -5.475 3.470 -2.700 1.00 0.00 N ATOM 328 CA PHE A 22 -4.175 4.168 -2.850 1.00 0.00 C ATOM 329 C PHE A 22 -3.590 4.400 -1.457 1.00 0.00 C ATOM 330 O PHE A 22 -4.291 4.333 -0.465 1.00 0.00 O ATOM 331 CB PHE A 22 -4.403 5.497 -3.565 1.00 0.00 C ATOM 332 CG PHE A 22 -4.592 5.247 -5.048 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.691 3.934 -5.544 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.658 6.331 -5.927 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.857 3.713 -6.916 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.822 6.110 -7.301 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.922 4.801 -7.794 1.00 0.00 C ATOM 0 H PHE A 22 -6.246 4.059 -2.386 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.479 3.571 -3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.280 5.997 -3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.553 6.160 -3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.639 3.096 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.583 7.339 -5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.935 2.705 -7.296 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.871 6.948 -7.980 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.049 4.632 -8.853 1.00 0.00 H new ATOM 347 N VAL A 23 -2.315 4.643 -1.358 1.00 0.00 N ATOM 348 CA VAL A 23 -1.713 4.842 -0.010 1.00 0.00 C ATOM 349 C VAL A 23 -0.495 5.770 -0.097 1.00 0.00 C ATOM 350 O VAL A 23 0.099 5.940 -1.143 1.00 0.00 O ATOM 351 CB VAL A 23 -1.298 3.471 0.532 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.335 3.628 1.707 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.546 2.729 1.007 1.00 0.00 C ATOM 0 H VAL A 23 -1.668 4.712 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.439 5.307 0.657 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.799 2.912 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.051 2.643 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.556 4.162 1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.822 4.190 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.262 1.751 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.034 3.304 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.234 2.602 0.171 1.00 0.00 H new ATOM 363 N ALA A 24 -0.114 6.366 1.005 1.00 0.00 N ATOM 364 CA ALA A 24 1.070 7.276 0.991 1.00 0.00 C ATOM 365 C ALA A 24 1.914 7.022 2.245 1.00 0.00 C ATOM 366 O ALA A 24 1.386 6.773 3.308 1.00 0.00 O ATOM 367 CB ALA A 24 0.595 8.732 0.979 1.00 0.00 C ATOM 0 H ALA A 24 -0.571 6.262 1.911 1.00 0.00 H new ATOM 0 HA ALA A 24 1.670 7.085 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.459 9.397 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.010 8.910 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.002 8.927 1.870 1.00 0.00 H new ATOM 373 N ILE A 25 3.219 7.086 2.142 1.00 0.00 N ATOM 374 CA ILE A 25 4.057 6.847 3.355 1.00 0.00 C ATOM 375 C ILE A 25 4.509 8.192 3.920 1.00 0.00 C ATOM 376 O ILE A 25 4.631 8.366 5.116 1.00 0.00 O ATOM 377 CB ILE A 25 5.290 6.009 2.996 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.969 6.598 1.760 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.878 4.563 2.707 1.00 0.00 C ATOM 380 CD1 ILE A 25 7.392 6.047 1.658 1.00 0.00 C ATOM 0 H ILE A 25 3.732 7.290 1.285 1.00 0.00 H new ATOM 0 HA ILE A 25 3.467 6.306 4.095 1.00 0.00 H new ATOM 0 HB ILE A 25 5.983 6.023 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.403 6.345 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.991 7.686 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.761 3.977 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.401 4.137 3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.178 4.544 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.881 6.464 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.954 6.323 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.356 4.961 1.573 1.00 0.00 H new ATOM 413 N LYS A 29 7.299 9.731 -0.778 1.00 0.00 N ATOM 414 CA LYS A 29 6.990 8.411 -1.399 1.00 0.00 C ATOM 415 C LYS A 29 5.581 7.961 -1.004 1.00 0.00 C ATOM 416 O LYS A 29 5.075 8.284 0.059 1.00 0.00 O ATOM 417 CB LYS A 29 8.013 7.375 -0.933 1.00 0.00 C ATOM 418 CG LYS A 29 8.979 7.065 -2.078 1.00 0.00 C ATOM 419 CD LYS A 29 9.164 5.551 -2.198 1.00 0.00 C ATOM 420 CE LYS A 29 10.574 5.172 -1.742 1.00 0.00 C ATOM 421 NZ LYS A 29 11.550 5.508 -2.817 1.00 0.00 N ATOM 0 HA LYS A 29 7.039 8.507 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.563 7.753 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.506 6.465 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.592 7.469 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.940 7.546 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.422 5.034 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.007 5.235 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.827 5.706 -0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.620 4.107 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.509 5.251 -2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.311 4.980 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.512 6.528 -3.014 1.00 0.00 H new ATOM 435 N GLU A 30 4.935 7.217 -1.858 1.00 0.00 N ATOM 436 CA GLU A 30 3.559 6.757 -1.538 1.00 0.00 C ATOM 437 C GLU A 30 3.399 5.282 -1.899 1.00 0.00 C ATOM 438 O GLU A 30 4.103 4.751 -2.734 1.00 0.00 O ATOM 439 CB GLU A 30 2.552 7.586 -2.335 1.00 0.00 C ATOM 440 CG GLU A 30 2.954 7.593 -3.810 1.00 0.00 C ATOM 441 CD GLU A 30 3.720 8.878 -4.125 1.00 0.00 C ATOM 442 OE1 GLU A 30 3.079 9.906 -4.267 1.00 0.00 O ATOM 443 OE2 GLU A 30 4.934 8.813 -4.217 1.00 0.00 O ATOM 0 H GLU A 30 5.300 6.910 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 30 3.381 6.882 -0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.551 7.170 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.519 8.606 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.573 6.724 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.067 7.522 -4.440 1.00 0.00 H new ATOM 450 N GLY A 31 2.464 4.623 -1.276 1.00 0.00 N ATOM 451 CA GLY A 31 2.232 3.184 -1.575 1.00 0.00 C ATOM 452 C GLY A 31 0.875 3.036 -2.256 1.00 0.00 C ATOM 453 O GLY A 31 0.148 3.995 -2.410 1.00 0.00 O ATOM 0 H GLY A 31 1.847 5.022 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.022 2.801 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.259 2.598 -0.656 1.00 0.00 H new ATOM 457 N LEU A 32 0.516 1.852 -2.658 1.00 0.00 N ATOM 458 CA LEU A 32 -0.809 1.675 -3.311 1.00 0.00 C ATOM 459 C LEU A 32 -1.445 0.368 -2.857 1.00 0.00 C ATOM 460 O LEU A 32 -0.919 -0.703 -3.089 1.00 0.00 O ATOM 461 CB LEU A 32 -0.668 1.632 -4.826 1.00 0.00 C ATOM 462 CG LEU A 32 -2.042 1.927 -5.421 1.00 0.00 C ATOM 463 CD1 LEU A 32 -2.004 3.271 -6.120 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.439 0.844 -6.422 1.00 0.00 C ATOM 0 H LEU A 32 1.077 1.005 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.433 2.522 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.063 2.367 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.311 0.655 -5.151 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.778 1.944 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.983 3.487 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.742 4.048 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.259 3.247 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.422 1.073 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.706 0.807 -7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.473 -0.122 -5.918 1.00 0.00 H new ATOM 476 N VAL A 33 -2.587 0.439 -2.241 1.00 0.00 N ATOM 477 CA VAL A 33 -3.267 -0.804 -1.817 1.00 0.00 C ATOM 478 C VAL A 33 -4.249 -1.201 -2.915 1.00 0.00 C ATOM 479 O VAL A 33 -5.448 -1.235 -2.718 1.00 0.00 O ATOM 480 CB VAL A 33 -4.026 -0.561 -0.517 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.658 -1.873 -0.048 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.058 -0.049 0.549 1.00 0.00 C ATOM 0 H VAL A 33 -3.077 1.305 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.537 -1.596 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.807 0.181 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.202 -1.703 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.347 -2.238 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.876 -2.614 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.600 0.125 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.277 -0.790 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.606 0.884 0.212 1.00 0.00 H new ATOM 492 N HIS A 34 -3.757 -1.482 -4.086 1.00 0.00 N ATOM 493 CA HIS A 34 -4.678 -1.862 -5.183 1.00 0.00 C ATOM 494 C HIS A 34 -5.646 -2.936 -4.664 1.00 0.00 C ATOM 495 O HIS A 34 -5.362 -3.632 -3.710 1.00 0.00 O ATOM 496 CB HIS A 34 -3.880 -2.405 -6.369 1.00 0.00 C ATOM 497 CG HIS A 34 -4.697 -2.259 -7.622 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.844 -3.294 -8.531 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.427 -1.208 -8.129 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.635 -2.854 -9.524 1.00 0.00 C ATOM 501 NE2 HIS A 34 -6.018 -1.588 -9.329 1.00 0.00 N ATOM 0 H HIS A 34 -2.766 -1.465 -4.328 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.240 -0.989 -5.514 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.939 -1.863 -6.469 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.628 -3.453 -6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.526 -0.237 -7.666 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.926 -3.450 -10.376 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.616 -1.022 -9.931 1.00 0.00 H new ATOM 509 N ILE A 35 -6.788 -3.057 -5.274 1.00 0.00 N ATOM 510 CA ILE A 35 -7.796 -4.061 -4.824 1.00 0.00 C ATOM 511 C ILE A 35 -7.135 -5.418 -4.558 1.00 0.00 C ATOM 512 O ILE A 35 -7.288 -5.990 -3.497 1.00 0.00 O ATOM 513 CB ILE A 35 -8.860 -4.209 -5.914 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.753 -5.413 -5.601 1.00 0.00 C ATOM 515 CG2 ILE A 35 -8.176 -4.422 -7.266 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.569 -5.130 -4.338 1.00 0.00 C ATOM 0 H ILE A 35 -7.073 -2.496 -6.077 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.251 -3.719 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.469 -3.306 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.420 -5.612 -6.440 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.142 -6.305 -5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.932 -4.528 -8.044 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.541 -3.565 -7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.567 -5.325 -7.227 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.204 -5.987 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.894 -4.952 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.191 -4.249 -4.496 1.00 0.00 H new ATOM 528 N SER A 36 -6.419 -5.948 -5.511 1.00 0.00 N ATOM 529 CA SER A 36 -5.768 -7.276 -5.308 1.00 0.00 C ATOM 530 C SER A 36 -4.459 -7.122 -4.523 1.00 0.00 C ATOM 531 O SER A 36 -3.468 -7.752 -4.837 1.00 0.00 O ATOM 532 CB SER A 36 -5.471 -7.901 -6.671 1.00 0.00 C ATOM 533 OG SER A 36 -5.276 -9.301 -6.516 1.00 0.00 O ATOM 0 H SER A 36 -6.256 -5.520 -6.422 1.00 0.00 H new ATOM 0 HA SER A 36 -6.442 -7.917 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.296 -7.711 -7.358 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.582 -7.445 -7.107 1.00 0.00 H new ATOM 0 HG SER A 36 -4.560 -9.462 -5.866 1.00 0.00 H new ATOM 539 N GLN A 37 -4.433 -6.295 -3.512 1.00 0.00 N ATOM 540 CA GLN A 37 -3.171 -6.125 -2.735 1.00 0.00 C ATOM 541 C GLN A 37 -3.479 -5.752 -1.282 1.00 0.00 C ATOM 542 O GLN A 37 -3.089 -4.703 -0.813 1.00 0.00 O ATOM 543 CB GLN A 37 -2.337 -5.015 -3.372 1.00 0.00 C ATOM 544 CG GLN A 37 -2.163 -5.302 -4.864 1.00 0.00 C ATOM 545 CD GLN A 37 -1.075 -4.390 -5.435 1.00 0.00 C ATOM 546 OE1 GLN A 37 -1.271 -3.198 -5.564 1.00 0.00 O ATOM 547 NE2 GLN A 37 0.074 -4.904 -5.779 1.00 0.00 N ATOM 0 H GLN A 37 -5.223 -5.735 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.620 -7.066 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.826 -4.051 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.363 -4.953 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.893 -6.347 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.104 -5.137 -5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.238 -5.905 -5.670 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.808 -4.305 -6.156 1.00 0.00 H new ATOM 556 N ILE A 38 -4.162 -6.597 -0.557 1.00 0.00 N ATOM 557 CA ILE A 38 -4.464 -6.265 0.866 1.00 0.00 C ATOM 558 C ILE A 38 -4.066 -7.437 1.764 1.00 0.00 C ATOM 559 O ILE A 38 -2.930 -7.565 2.174 1.00 0.00 O ATOM 560 CB ILE A 38 -5.958 -5.976 1.042 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.286 -4.608 0.448 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.311 -5.979 2.534 1.00 0.00 C ATOM 563 CD1 ILE A 38 -6.078 -4.660 -1.062 1.00 0.00 C ATOM 0 H ILE A 38 -4.521 -7.494 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.896 -5.378 1.145 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.536 -6.745 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.316 -4.335 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.648 -3.843 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.374 -5.773 2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.079 -6.955 2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.731 -5.211 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.310 -3.687 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.040 -4.915 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.735 -5.415 -1.494 1.00 0.00 H new ATOM 575 N ALA A 39 -5.003 -8.281 2.081 1.00 0.00 N ATOM 576 CA ALA A 39 -4.705 -9.440 2.964 1.00 0.00 C ATOM 577 C ALA A 39 -5.064 -10.743 2.246 1.00 0.00 C ATOM 578 O ALA A 39 -5.199 -10.784 1.039 1.00 0.00 O ATOM 579 CB ALA A 39 -5.540 -9.319 4.238 1.00 0.00 C ATOM 0 H ALA A 39 -5.971 -8.218 1.764 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.644 -9.448 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.329 -10.164 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.288 -8.391 4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.599 -9.315 3.980 1.00 0.00 H new ATOM 643 N VAL A 43 -10.613 -9.243 -0.303 1.00 0.00 N ATOM 644 CA VAL A 43 -10.947 -7.832 0.036 1.00 0.00 C ATOM 645 C VAL A 43 -11.869 -7.265 -1.044 1.00 0.00 C ATOM 646 O VAL A 43 -11.618 -6.213 -1.598 1.00 0.00 O ATOM 647 CB VAL A 43 -9.665 -6.999 0.108 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.023 -5.526 0.311 1.00 0.00 C ATOM 649 CG2 VAL A 43 -8.815 -7.483 1.286 1.00 0.00 C ATOM 0 HA VAL A 43 -11.448 -7.797 1.004 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.104 -7.111 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.110 -4.933 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.633 -5.181 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.582 -5.412 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.900 -6.893 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.378 -7.368 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.561 -8.533 1.144 1.00 0.00 H new ATOM 659 N GLU A 44 -12.935 -7.961 -1.344 1.00 0.00 N ATOM 660 CA GLU A 44 -13.883 -7.476 -2.386 1.00 0.00 C ATOM 661 C GLU A 44 -14.072 -5.966 -2.245 1.00 0.00 C ATOM 662 O GLU A 44 -14.284 -5.262 -3.212 1.00 0.00 O ATOM 663 CB GLU A 44 -15.235 -8.169 -2.203 1.00 0.00 C ATOM 664 CG GLU A 44 -15.329 -9.372 -3.142 1.00 0.00 C ATOM 665 CD GLU A 44 -16.591 -9.249 -3.998 1.00 0.00 C ATOM 666 OE1 GLU A 44 -16.905 -8.140 -4.398 1.00 0.00 O ATOM 667 OE2 GLU A 44 -17.221 -10.266 -4.239 1.00 0.00 O ATOM 0 H GLU A 44 -13.189 -8.848 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.481 -7.703 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.351 -8.493 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.044 -7.469 -2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.446 -9.420 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.356 -10.297 -2.565 1.00 0.00 H new ATOM 674 N LYS A 45 -14.000 -5.466 -1.043 1.00 0.00 N ATOM 675 CA LYS A 45 -14.178 -4.003 -0.837 1.00 0.00 C ATOM 676 C LYS A 45 -12.851 -3.384 -0.397 1.00 0.00 C ATOM 677 O LYS A 45 -12.315 -3.714 0.643 1.00 0.00 O ATOM 678 CB LYS A 45 -15.235 -3.771 0.245 1.00 0.00 C ATOM 679 CG LYS A 45 -16.626 -4.044 -0.332 1.00 0.00 C ATOM 680 CD LYS A 45 -17.635 -4.188 0.809 1.00 0.00 C ATOM 681 CE LYS A 45 -18.131 -5.634 0.874 1.00 0.00 C ATOM 682 NZ LYS A 45 -17.342 -6.387 1.890 1.00 0.00 N ATOM 0 H LYS A 45 -13.826 -6.007 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.501 -3.539 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.048 -4.425 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.177 -2.746 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.923 -3.230 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.609 -4.953 -0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.172 -3.909 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.475 -3.511 0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.190 -5.655 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.032 -6.108 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.979 -6.993 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.633 -6.978 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.862 -5.716 2.524 1.00 0.00 H new ATOM 696 N VAL A 46 -12.321 -2.481 -1.174 1.00 0.00 N ATOM 697 CA VAL A 46 -11.029 -1.837 -0.783 1.00 0.00 C ATOM 698 C VAL A 46 -11.307 -0.839 0.337 1.00 0.00 C ATOM 699 O VAL A 46 -10.454 -0.551 1.156 1.00 0.00 O ATOM 700 CB VAL A 46 -10.374 -1.099 -1.968 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.982 -1.685 -2.223 1.00 0.00 C ATOM 702 CG2 VAL A 46 -11.214 -1.240 -3.241 1.00 0.00 C ATOM 0 H VAL A 46 -12.720 -2.161 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.340 -2.615 -0.455 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.303 -0.041 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.516 -1.165 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.367 -1.562 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.071 -2.745 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.727 -0.709 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.310 -2.295 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.204 -0.816 -3.072 1.00 0.00 H new ATOM 712 N THR A 47 -12.503 -0.320 0.391 1.00 0.00 N ATOM 713 CA THR A 47 -12.846 0.647 1.469 1.00 0.00 C ATOM 714 C THR A 47 -13.133 -0.122 2.762 1.00 0.00 C ATOM 715 O THR A 47 -13.519 0.450 3.763 1.00 0.00 O ATOM 716 CB THR A 47 -14.085 1.450 1.062 1.00 0.00 C ATOM 717 OG1 THR A 47 -15.049 0.576 0.494 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.691 2.515 0.038 1.00 0.00 C ATOM 0 H THR A 47 -13.257 -0.524 -0.265 1.00 0.00 H new ATOM 0 HA THR A 47 -12.012 1.330 1.628 1.00 0.00 H new ATOM 0 HB THR A 47 -14.509 1.935 1.941 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.843 1.089 0.235 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.573 3.086 -0.251 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.952 3.186 0.477 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.266 2.033 -0.843 1.00 0.00 H new ATOM 726 N ASP A 48 -12.935 -1.415 2.753 1.00 0.00 N ATOM 727 CA ASP A 48 -13.183 -2.217 3.984 1.00 0.00 C ATOM 728 C ASP A 48 -11.849 -2.447 4.685 1.00 0.00 C ATOM 729 O ASP A 48 -11.756 -2.436 5.896 1.00 0.00 O ATOM 730 CB ASP A 48 -13.797 -3.569 3.609 1.00 0.00 C ATOM 731 CG ASP A 48 -15.260 -3.373 3.206 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.560 -2.345 2.621 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.055 -4.254 3.491 1.00 0.00 O ATOM 0 H ASP A 48 -12.612 -1.948 1.946 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.871 -1.685 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.240 -4.018 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.730 -4.257 4.452 1.00 0.00 H new ATOM 738 N TYR A 49 -10.811 -2.650 3.922 1.00 0.00 N ATOM 739 CA TYR A 49 -9.473 -2.874 4.526 1.00 0.00 C ATOM 740 C TYR A 49 -8.772 -1.530 4.687 1.00 0.00 C ATOM 741 O TYR A 49 -8.028 -1.315 5.623 1.00 0.00 O ATOM 742 CB TYR A 49 -8.656 -3.787 3.615 1.00 0.00 C ATOM 743 CG TYR A 49 -9.283 -5.155 3.636 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.548 -5.347 3.074 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.610 -6.224 4.233 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.144 -6.612 3.107 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.204 -7.490 4.268 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.474 -7.685 3.707 1.00 0.00 C ATOM 749 OH TYR A 49 -11.062 -8.932 3.744 1.00 0.00 O ATOM 0 H TYR A 49 -10.835 -2.670 2.902 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.575 -3.347 5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.638 -3.393 2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.622 -3.837 3.956 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.066 -4.518 2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.633 -6.073 4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.120 -6.761 2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.684 -8.318 4.727 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.463 -9.563 4.195 1.00 0.00 H new ATOM 759 N LEU A 50 -9.003 -0.620 3.780 1.00 0.00 N ATOM 760 CA LEU A 50 -8.346 0.712 3.890 1.00 0.00 C ATOM 761 C LEU A 50 -9.377 1.788 4.222 1.00 0.00 C ATOM 762 O LEU A 50 -10.522 1.717 3.822 1.00 0.00 O ATOM 763 CB LEU A 50 -7.669 1.053 2.573 1.00 0.00 C ATOM 764 CG LEU A 50 -6.164 0.960 2.766 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.639 -0.247 2.002 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.509 2.235 2.243 1.00 0.00 C ATOM 0 H LEU A 50 -9.614 -0.741 2.973 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.605 0.674 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.994 0.366 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.948 2.057 2.252 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.929 0.847 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.560 -0.321 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.114 -1.152 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.867 -0.134 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.429 2.172 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.734 2.351 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.895 3.094 2.792 1.00 0.00 H new ATOM 778 N GLN A 51 -8.967 2.789 4.947 1.00 0.00 N ATOM 779 CA GLN A 51 -9.900 3.888 5.311 1.00 0.00 C ATOM 780 C GLN A 51 -9.100 5.181 5.476 1.00 0.00 C ATOM 781 O GLN A 51 -7.960 5.162 5.892 1.00 0.00 O ATOM 782 CB GLN A 51 -10.608 3.546 6.624 1.00 0.00 C ATOM 783 CG GLN A 51 -12.102 3.850 6.489 1.00 0.00 C ATOM 784 CD GLN A 51 -12.845 3.310 7.712 1.00 0.00 C ATOM 785 OE1 GLN A 51 -13.566 2.336 7.618 1.00 0.00 O ATOM 786 NE2 GLN A 51 -12.700 3.905 8.864 1.00 0.00 N ATOM 0 H GLN A 51 -8.018 2.893 5.306 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.647 4.015 4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.460 2.494 6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.180 4.125 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.259 4.925 6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.496 3.395 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.095 4.722 8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.192 3.553 9.685 1.00 0.00 H new ATOM 795 N MET A 52 -9.678 6.301 5.149 1.00 0.00 N ATOM 796 CA MET A 52 -8.935 7.585 5.284 1.00 0.00 C ATOM 797 C MET A 52 -8.653 7.866 6.761 1.00 0.00 C ATOM 798 O MET A 52 -9.418 8.527 7.434 1.00 0.00 O ATOM 799 CB MET A 52 -9.775 8.721 4.699 1.00 0.00 C ATOM 800 CG MET A 52 -9.313 9.008 3.272 1.00 0.00 C ATOM 801 SD MET A 52 -10.213 10.439 2.620 1.00 0.00 S ATOM 802 CE MET A 52 -8.911 11.667 2.887 1.00 0.00 C ATOM 0 H MET A 52 -10.631 6.384 4.795 1.00 0.00 H new ATOM 0 HA MET A 52 -7.990 7.514 4.745 1.00 0.00 H new ATOM 0 HB2 MET A 52 -10.830 8.448 4.704 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.675 9.616 5.313 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.241 9.203 3.258 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.487 8.137 2.640 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.257 12.644 2.549 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.669 11.715 3.949 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.022 11.383 2.325 1.00 0.00 H new ATOM 812 N GLY A 53 -7.557 7.371 7.269 1.00 0.00 N ATOM 813 CA GLY A 53 -7.223 7.615 8.701 1.00 0.00 C ATOM 814 C GLY A 53 -6.521 6.386 9.280 1.00 0.00 C ATOM 815 O GLY A 53 -5.835 6.466 10.279 1.00 0.00 O ATOM 0 H GLY A 53 -6.879 6.809 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.579 8.490 8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.131 7.828 9.266 1.00 0.00 H new ATOM 819 N GLN A 54 -6.689 5.249 8.662 1.00 0.00 N ATOM 820 CA GLN A 54 -6.037 4.014 9.179 1.00 0.00 C ATOM 821 C GLN A 54 -4.576 3.967 8.731 1.00 0.00 C ATOM 822 O GLN A 54 -4.147 4.733 7.890 1.00 0.00 O ATOM 823 CB GLN A 54 -6.777 2.791 8.637 1.00 0.00 C ATOM 824 CG GLN A 54 -8.254 2.880 9.025 1.00 0.00 C ATOM 825 CD GLN A 54 -8.382 2.866 10.549 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.566 1.824 11.145 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.293 3.989 11.209 1.00 0.00 N ATOM 0 H GLN A 54 -7.251 5.123 7.820 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.074 4.016 10.268 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.676 2.742 7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.338 1.878 9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.693 3.792 8.621 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.805 2.043 8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.138 4.864 10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.378 3.991 12.225 1.00 0.00 H new ATOM 836 N GLU A 55 -3.810 3.066 9.284 1.00 0.00 N ATOM 837 CA GLU A 55 -2.377 2.954 8.894 1.00 0.00 C ATOM 838 C GLU A 55 -1.968 1.478 8.907 1.00 0.00 C ATOM 839 O GLU A 55 -1.986 0.832 9.935 1.00 0.00 O ATOM 840 CB GLU A 55 -1.510 3.727 9.890 1.00 0.00 C ATOM 841 CG GLU A 55 -1.090 5.064 9.275 1.00 0.00 C ATOM 842 CD GLU A 55 -1.133 6.154 10.348 1.00 0.00 C ATOM 843 OE1 GLU A 55 -2.008 6.090 11.195 1.00 0.00 O ATOM 844 OE2 GLU A 55 -0.290 7.036 10.302 1.00 0.00 O ATOM 0 H GLU A 55 -4.118 2.400 9.993 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.238 3.369 7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.063 3.898 10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.628 3.142 10.151 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.085 4.986 8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.755 5.323 8.451 1.00 0.00 H new ATOM 851 N VAL A 56 -1.600 0.938 7.777 1.00 0.00 N ATOM 852 CA VAL A 56 -1.193 -0.497 7.743 1.00 0.00 C ATOM 853 C VAL A 56 0.293 -0.595 7.384 1.00 0.00 C ATOM 854 O VAL A 56 0.781 0.167 6.574 1.00 0.00 O ATOM 855 CB VAL A 56 -2.018 -1.243 6.691 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.485 -1.283 7.125 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.907 -0.523 5.346 1.00 0.00 C ATOM 0 H VAL A 56 -1.563 1.424 6.881 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.366 -0.944 8.722 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.639 -2.260 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.072 -1.814 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.567 -1.798 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.862 -0.265 7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.495 -1.056 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.284 0.495 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.863 -0.495 5.034 1.00 0.00 H new ATOM 867 N PRO A 57 0.971 -1.529 8.003 1.00 0.00 N ATOM 868 CA PRO A 57 2.406 -1.748 7.766 1.00 0.00 C ATOM 869 C PRO A 57 2.617 -2.528 6.467 1.00 0.00 C ATOM 870 O PRO A 57 1.859 -3.422 6.133 1.00 0.00 O ATOM 871 CB PRO A 57 2.850 -2.567 8.980 1.00 0.00 C ATOM 872 CG PRO A 57 1.576 -3.246 9.540 1.00 0.00 C ATOM 873 CD PRO A 57 0.374 -2.451 8.992 1.00 0.00 C ATOM 0 HA PRO A 57 2.971 -0.823 7.657 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.593 -3.312 8.695 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.312 -1.927 9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.525 -4.289 9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.581 -3.239 10.630 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.362 -3.109 8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.139 -1.907 9.785 1.00 0.00 H new ATOM 881 N VAL A 58 3.641 -2.197 5.731 1.00 0.00 N ATOM 882 CA VAL A 58 3.901 -2.915 4.454 1.00 0.00 C ATOM 883 C VAL A 58 5.401 -3.186 4.322 1.00 0.00 C ATOM 884 O VAL A 58 6.200 -2.742 5.126 1.00 0.00 O ATOM 885 CB VAL A 58 3.408 -2.062 3.269 1.00 0.00 C ATOM 886 CG1 VAL A 58 2.233 -1.190 3.714 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.538 -1.160 2.753 1.00 0.00 C ATOM 0 H VAL A 58 4.309 -1.460 5.959 1.00 0.00 H new ATOM 0 HA VAL A 58 3.364 -3.864 4.451 1.00 0.00 H new ATOM 0 HB VAL A 58 3.090 -2.730 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.887 -0.588 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.420 -1.826 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.553 -0.533 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.174 -0.564 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.869 -0.498 3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.374 -1.777 2.423 1.00 0.00 H new ATOM 897 N LYS A 59 5.791 -3.899 3.304 1.00 0.00 N ATOM 898 CA LYS A 59 7.234 -4.189 3.112 1.00 0.00 C ATOM 899 C LYS A 59 7.652 -3.772 1.702 1.00 0.00 C ATOM 900 O LYS A 59 7.251 -4.374 0.725 1.00 0.00 O ATOM 901 CB LYS A 59 7.479 -5.687 3.299 1.00 0.00 C ATOM 902 CG LYS A 59 7.960 -5.949 4.728 1.00 0.00 C ATOM 903 CD LYS A 59 7.082 -7.018 5.377 1.00 0.00 C ATOM 904 CE LYS A 59 6.508 -6.479 6.689 1.00 0.00 C ATOM 905 NZ LYS A 59 5.027 -6.646 6.688 1.00 0.00 N ATOM 0 H LYS A 59 5.171 -4.293 2.597 1.00 0.00 H new ATOM 0 HA LYS A 59 7.821 -3.632 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.562 -6.244 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.223 -6.037 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.000 -6.275 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.920 -5.028 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.273 -7.299 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.667 -7.918 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.944 -7.010 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.766 -5.427 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.636 -6.280 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.619 -6.120 5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.791 -7.655 6.595 1.00 0.00 H new ATOM 919 N VAL A 60 8.455 -2.747 1.591 1.00 0.00 N ATOM 920 CA VAL A 60 8.911 -2.286 0.248 1.00 0.00 C ATOM 921 C VAL A 60 9.495 -3.471 -0.514 1.00 0.00 C ATOM 922 O VAL A 60 10.677 -3.747 -0.448 1.00 0.00 O ATOM 923 CB VAL A 60 9.983 -1.210 0.423 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.554 -0.828 -0.944 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.358 0.022 1.079 1.00 0.00 C ATOM 0 H VAL A 60 8.816 -2.207 2.377 1.00 0.00 H new ATOM 0 HA VAL A 60 8.070 -1.873 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 60 10.785 -1.593 1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.318 -0.061 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.997 -1.707 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.755 -0.443 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.119 0.792 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.557 0.404 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.952 -0.251 2.053 1.00 0.00 H new ATOM 1112 N LEU A 71 4.739 -2.339 -2.837 1.00 0.00 N ATOM 1113 CA LEU A 71 4.690 -2.462 -1.355 1.00 0.00 C ATOM 1114 C LEU A 71 4.040 -3.794 -0.982 1.00 0.00 C ATOM 1115 O LEU A 71 3.161 -4.281 -1.663 1.00 0.00 O ATOM 1116 CB LEU A 71 3.878 -1.305 -0.770 1.00 0.00 C ATOM 1117 CG LEU A 71 4.670 -0.003 -0.915 1.00 0.00 C ATOM 1118 CD1 LEU A 71 3.984 1.106 -0.113 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.093 -0.208 -0.386 1.00 0.00 C ATOM 0 HA LEU A 71 5.701 -2.426 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.921 -1.221 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.659 -1.495 0.281 1.00 0.00 H new ATOM 0 HG LEU A 71 4.710 0.281 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.549 2.033 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.972 1.254 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.943 0.822 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.657 0.719 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.053 -0.493 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.583 -0.996 -0.957 1.00 0.00 H new ATOM 1131 N SER A 72 4.484 -4.394 0.085 1.00 0.00 N ATOM 1132 CA SER A 72 3.915 -5.705 0.495 1.00 0.00 C ATOM 1133 C SER A 72 3.032 -5.542 1.739 1.00 0.00 C ATOM 1134 O SER A 72 3.515 -5.490 2.852 1.00 0.00 O ATOM 1135 CB SER A 72 5.065 -6.654 0.798 1.00 0.00 C ATOM 1136 OG SER A 72 4.977 -7.787 -0.056 1.00 0.00 O ATOM 0 H SER A 72 5.219 -4.031 0.692 1.00 0.00 H new ATOM 0 HA SER A 72 3.298 -6.104 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.019 -6.147 0.651 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.028 -6.967 1.841 1.00 0.00 H new ATOM 0 HG SER A 72 5.718 -8.399 0.136 1.00 0.00 H new ATOM 1142 N ILE A 73 1.738 -5.472 1.555 1.00 0.00 N ATOM 1143 CA ILE A 73 0.822 -5.320 2.724 1.00 0.00 C ATOM 1144 C ILE A 73 1.143 -6.399 3.762 1.00 0.00 C ATOM 1145 O ILE A 73 1.381 -7.541 3.424 1.00 0.00 O ATOM 1146 CB ILE A 73 -0.634 -5.470 2.261 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.036 -4.236 1.448 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.554 -5.600 3.477 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -1.199 -3.038 2.384 1.00 0.00 C ATOM 0 H ILE A 73 1.277 -5.514 0.646 1.00 0.00 H new ATOM 0 HA ILE A 73 0.959 -4.334 3.168 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.727 -6.364 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.278 -4.021 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.969 -4.426 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.586 -5.706 3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.268 -6.477 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.464 -4.709 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.485 -2.160 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.973 -3.255 3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.256 -2.844 2.895 1.00 0.00 H new ATOM 1161 N LYS A 74 1.157 -6.039 5.022 1.00 0.00 N ATOM 1162 CA LYS A 74 1.466 -7.036 6.095 1.00 0.00 C ATOM 1163 C LYS A 74 0.850 -8.394 5.745 1.00 0.00 C ATOM 1164 O LYS A 74 -0.196 -8.472 5.131 1.00 0.00 O ATOM 1165 CB LYS A 74 0.882 -6.548 7.422 1.00 0.00 C ATOM 1166 CG LYS A 74 -0.647 -6.603 7.354 1.00 0.00 C ATOM 1167 CD LYS A 74 -1.167 -7.645 8.346 1.00 0.00 C ATOM 1168 CE LYS A 74 -2.669 -7.848 8.136 1.00 0.00 C ATOM 1169 NZ LYS A 74 -2.892 -8.948 7.155 1.00 0.00 N ATOM 0 H LYS A 74 0.967 -5.094 5.355 1.00 0.00 H new ATOM 0 HA LYS A 74 2.547 -7.143 6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.243 -7.169 8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.212 -5.529 7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.067 -5.624 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.967 -6.856 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.639 -8.589 8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.973 -7.318 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.150 -8.089 9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.124 -6.926 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.809 -8.812 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.132 -8.939 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.891 -9.862 7.652 1.00 0.00 H new