USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 31 LYS NZ :NH3+ 145:sc= 1.2 (180deg=-0.237) USER MOD Set 1.2: A 56 TYR OH : rot 30:sc= -0.731 USER MOD Set 2.1: A 16 ASN : amide:sc= -0.352 X(o=-0.35,f=0.0016) USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.0661 (180deg=-0.482) USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.273 (180deg=-0.808) USER MOD Single : A 25 CYS SG : rot 108:sc= 1.13 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 CYS SG : rot 180:sc= -0.154 USER MOD Single : A 30 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.8!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.4 K(o=-1.4,f=-8.9!) USER MOD Single : A 45 THR OG1 : rot 63:sc= 0.191 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0106) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -155:sc= 0.378 USER MOD Single : A 55 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1) USER MOD Single : A 58 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.028) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -148:sc= -0.151 (180deg=-1.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0821 USER MOD Single : A 73 ASN : amide:sc= -0.65 K(o=-0.65,f=-3.1!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot -123:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 13.089 17.543 6.824 1.00 0.00 N ATOM 174 CA ILE A 11 11.869 16.781 7.060 1.00 0.00 C ATOM 175 C ILE A 11 10.682 17.707 7.303 1.00 0.00 C ATOM 176 O ILE A 11 10.643 18.437 8.293 1.00 0.00 O ATOM 177 CB ILE A 11 12.021 15.834 8.264 1.00 0.00 C ATOM 178 CG1 ILE A 11 13.311 15.019 8.140 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.815 14.913 8.369 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.498 15.660 8.824 1.00 0.00 C ATOM 0 HA ILE A 11 11.688 16.189 6.163 1.00 0.00 H new ATOM 0 HB ILE A 11 12.077 16.432 9.173 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.148 14.029 8.565 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.542 14.878 7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.937 14.249 9.225 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.912 15.509 8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.730 14.319 7.459 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.377 15.028 8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.687 16.639 8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.287 15.776 9.887 1.00 0.00 H new ATOM 192 N ALA A 12 9.713 17.670 6.393 1.00 0.00 N ATOM 193 CA ALA A 12 8.523 18.503 6.511 1.00 0.00 C ATOM 194 C ALA A 12 7.293 17.660 6.830 1.00 0.00 C ATOM 195 O ALA A 12 6.935 16.754 6.077 1.00 0.00 O ATOM 196 CB ALA A 12 8.304 19.294 5.230 1.00 0.00 C ATOM 0 H ALA A 12 9.729 17.072 5.567 1.00 0.00 H new ATOM 0 HA ALA A 12 8.678 19.200 7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.412 19.912 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.168 19.932 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.175 18.606 4.395 1.00 0.00 H new ATOM 202 N LYS A 13 6.649 17.963 7.953 1.00 0.00 N ATOM 203 CA LYS A 13 5.458 17.234 8.373 1.00 0.00 C ATOM 204 C LYS A 13 4.418 18.184 8.958 1.00 0.00 C ATOM 205 O LYS A 13 4.759 19.207 9.551 1.00 0.00 O ATOM 206 CB LYS A 13 5.827 16.166 9.405 1.00 0.00 C ATOM 207 CG LYS A 13 6.185 16.734 10.767 1.00 0.00 C ATOM 208 CD LYS A 13 6.432 15.632 11.784 1.00 0.00 C ATOM 209 CE LYS A 13 7.808 15.008 11.606 1.00 0.00 C ATOM 210 NZ LYS A 13 7.814 13.565 11.974 1.00 0.00 N ATOM 0 H LYS A 13 6.932 18.709 8.588 1.00 0.00 H new ATOM 0 HA LYS A 13 5.029 16.750 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.990 15.476 9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.670 15.586 9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.076 17.356 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.379 17.379 11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.343 16.038 12.791 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.666 14.863 11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.126 15.120 10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.532 15.543 12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.769 13.176 11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.535 13.460 12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.142 13.050 11.370 1.00 0.00 H new ATOM 224 N LYS A 14 3.146 17.837 8.789 1.00 0.00 N ATOM 225 CA LYS A 14 2.055 18.657 9.302 1.00 0.00 C ATOM 226 C LYS A 14 1.521 18.092 10.614 1.00 0.00 C ATOM 227 O LYS A 14 1.004 16.975 10.656 1.00 0.00 O ATOM 228 CB LYS A 14 0.924 18.740 8.273 1.00 0.00 C ATOM 229 CG LYS A 14 1.128 19.827 7.233 1.00 0.00 C ATOM 230 CD LYS A 14 0.516 21.146 7.677 1.00 0.00 C ATOM 231 CE LYS A 14 -1.002 21.114 7.589 1.00 0.00 C ATOM 232 NZ LYS A 14 -1.472 20.918 6.190 1.00 0.00 N ATOM 0 H LYS A 14 2.846 16.993 8.301 1.00 0.00 H new ATOM 0 HA LYS A 14 2.443 19.658 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.832 17.778 7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.017 18.918 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.194 19.962 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.681 19.517 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.818 21.361 8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.901 21.954 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.385 20.310 8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.408 22.046 7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.455 21.248 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.867 21.461 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.424 19.908 5.946 1.00 0.00 H new ATOM 246 N ILE A 15 1.648 18.871 11.683 1.00 0.00 N ATOM 247 CA ILE A 15 1.176 18.448 12.996 1.00 0.00 C ATOM 248 C ILE A 15 -0.007 19.295 13.454 1.00 0.00 C ATOM 249 O ILE A 15 -0.244 20.383 12.930 1.00 0.00 O ATOM 250 CB ILE A 15 2.294 18.536 14.052 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.893 19.944 14.077 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.373 17.501 13.767 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.434 20.346 15.431 1.00 0.00 C ATOM 0 H ILE A 15 2.073 19.798 11.666 1.00 0.00 H new ATOM 0 HA ILE A 15 0.861 17.409 12.898 1.00 0.00 H new ATOM 0 HB ILE A 15 1.865 18.327 15.032 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.696 20.002 13.342 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.130 20.660 13.772 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.156 17.575 14.521 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.936 16.503 13.794 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.800 17.683 12.781 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.843 21.355 15.375 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.630 20.321 16.166 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.220 19.652 15.729 1.00 0.00 H new ATOM 265 N ASN A 16 -0.745 18.789 14.436 1.00 0.00 N ATOM 266 CA ASN A 16 -1.903 19.499 14.966 1.00 0.00 C ATOM 267 C ASN A 16 -1.687 19.878 16.428 1.00 0.00 C ATOM 268 O ASN A 16 -2.306 20.812 16.936 1.00 0.00 O ATOM 269 CB ASN A 16 -3.161 18.639 14.831 1.00 0.00 C ATOM 270 CG ASN A 16 -3.077 17.360 15.642 1.00 0.00 C ATOM 271 OD1 ASN A 16 -3.645 17.264 16.730 1.00 0.00 O ATOM 272 ND2 ASN A 16 -2.366 16.371 15.114 1.00 0.00 N ATOM 0 H ASN A 16 -0.562 17.890 14.881 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.033 20.414 14.387 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.028 19.215 15.155 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.317 18.391 13.781 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.273 15.486 15.613 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.912 16.496 14.209 1.00 0.00 H new ATOM 279 N SER A 17 -0.804 19.145 17.099 1.00 0.00 N ATOM 280 CA SER A 17 -0.508 19.402 18.503 1.00 0.00 C ATOM 281 C SER A 17 0.786 20.198 18.650 1.00 0.00 C ATOM 282 O SER A 17 1.730 20.016 17.882 1.00 0.00 O ATOM 283 CB SER A 17 -0.398 18.084 19.272 1.00 0.00 C ATOM 284 OG SER A 17 -1.299 17.117 18.759 1.00 0.00 O ATOM 0 H SER A 17 -0.282 18.369 16.693 1.00 0.00 H new ATOM 0 HA SER A 17 -1.326 19.991 18.919 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.622 17.706 19.207 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.607 18.257 20.328 1.00 0.00 H new ATOM 0 HG SER A 17 -1.208 16.283 19.266 1.00 0.00 H new ATOM 290 N VAL A 18 0.820 21.082 19.642 1.00 0.00 N ATOM 291 CA VAL A 18 1.997 21.906 19.891 1.00 0.00 C ATOM 292 C VAL A 18 3.016 21.165 20.748 1.00 0.00 C ATOM 293 O VAL A 18 4.167 21.584 20.865 1.00 0.00 O ATOM 294 CB VAL A 18 1.619 23.227 20.588 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.579 23.982 19.774 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.114 22.960 21.997 1.00 0.00 C ATOM 0 H VAL A 18 0.046 21.246 20.286 1.00 0.00 H new ATOM 0 HA VAL A 18 2.439 22.129 18.920 1.00 0.00 H new ATOM 0 HB VAL A 18 2.512 23.849 20.658 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.324 24.912 20.282 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.983 24.206 18.787 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.316 23.369 19.669 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.852 23.904 22.474 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.234 22.319 21.953 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.894 22.465 22.576 1.00 0.00 H new ATOM 306 N ASP A 19 2.584 20.060 21.347 1.00 0.00 N ATOM 307 CA ASP A 19 3.460 19.257 22.193 1.00 0.00 C ATOM 308 C ASP A 19 4.648 18.727 21.398 1.00 0.00 C ATOM 309 O ASP A 19 5.761 18.631 21.915 1.00 0.00 O ATOM 310 CB ASP A 19 2.682 18.093 22.809 1.00 0.00 C ATOM 311 CG ASP A 19 1.701 18.550 23.872 1.00 0.00 C ATOM 312 OD1 ASP A 19 1.747 19.740 24.250 1.00 0.00 O ATOM 313 OD2 ASP A 19 0.888 17.718 24.325 1.00 0.00 O ATOM 0 H ASP A 19 1.633 19.700 21.262 1.00 0.00 H new ATOM 0 HA ASP A 19 3.837 19.895 22.992 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.142 17.565 22.023 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.383 17.383 23.247 1.00 0.00 H new ATOM 318 N ASP A 20 4.404 18.382 20.138 1.00 0.00 N ATOM 319 CA ASP A 20 5.454 17.861 19.271 1.00 0.00 C ATOM 320 C ASP A 20 6.271 18.997 18.663 1.00 0.00 C ATOM 321 O ASP A 20 6.405 19.094 17.443 1.00 0.00 O ATOM 322 CB ASP A 20 4.848 17.002 18.161 1.00 0.00 C ATOM 323 CG ASP A 20 4.558 15.585 18.618 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.575 15.392 19.363 1.00 0.00 O ATOM 325 OD2 ASP A 20 5.315 14.670 18.230 1.00 0.00 O ATOM 0 H ASP A 20 3.488 18.454 19.695 1.00 0.00 H new ATOM 0 HA ASP A 20 6.118 17.244 19.876 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.925 17.464 17.811 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.532 16.974 17.313 1.00 0.00 H new ATOM 330 N ILE A 21 6.812 19.855 19.522 1.00 0.00 N ATOM 331 CA ILE A 21 7.615 20.984 19.069 1.00 0.00 C ATOM 332 C ILE A 21 8.948 21.042 19.808 1.00 0.00 C ATOM 333 O ILE A 21 8.986 21.208 21.027 1.00 0.00 O ATOM 334 CB ILE A 21 6.873 22.318 19.267 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.579 22.334 18.450 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.767 23.485 18.876 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.703 23.534 18.729 1.00 0.00 C ATOM 0 H ILE A 21 6.709 19.790 20.535 1.00 0.00 H new ATOM 0 HA ILE A 21 7.798 20.834 18.005 1.00 0.00 H new ATOM 0 HB ILE A 21 6.616 22.420 20.321 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.829 22.315 17.389 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.015 21.426 18.661 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.228 24.421 19.022 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.662 23.481 19.497 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.052 23.390 17.828 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.804 23.479 18.115 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.423 23.543 19.782 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.249 24.447 18.491 1.00 0.00 H new ATOM 349 N ILE A 22 10.039 20.905 19.061 1.00 0.00 N ATOM 350 CA ILE A 22 11.374 20.945 19.645 1.00 0.00 C ATOM 351 C ILE A 22 12.107 22.223 19.253 1.00 0.00 C ATOM 352 O ILE A 22 11.721 22.906 18.304 1.00 0.00 O ATOM 353 CB ILE A 22 12.215 19.730 19.210 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.228 19.611 17.685 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.672 18.457 19.842 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.267 18.644 17.163 1.00 0.00 C ATOM 0 H ILE A 22 10.024 20.765 18.051 1.00 0.00 H new ATOM 0 HA ILE A 22 11.246 20.920 20.727 1.00 0.00 H new ATOM 0 HB ILE A 22 13.240 19.874 19.553 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.243 19.291 17.345 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.410 20.595 17.253 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.276 17.607 19.525 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.710 18.545 20.928 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.640 18.306 19.526 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.219 18.611 16.075 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.259 18.974 17.472 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.073 17.650 17.565 1.00 0.00 H new ATOM 368 N ILE A 23 13.167 22.540 19.989 1.00 0.00 N ATOM 369 CA ILE A 23 13.956 23.735 19.716 1.00 0.00 C ATOM 370 C ILE A 23 14.542 23.697 18.309 1.00 0.00 C ATOM 371 O ILE A 23 14.871 24.735 17.733 1.00 0.00 O ATOM 372 CB ILE A 23 15.102 23.897 20.733 1.00 0.00 C ATOM 373 CG1 ILE A 23 14.541 24.003 22.153 1.00 0.00 C ATOM 374 CG2 ILE A 23 15.940 25.120 20.396 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.602 22.703 22.925 1.00 0.00 C ATOM 0 H ILE A 23 13.499 21.986 20.779 1.00 0.00 H new ATOM 0 HA ILE A 23 13.281 24.586 19.803 1.00 0.00 H new ATOM 0 HB ILE A 23 15.743 23.017 20.680 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.096 24.766 22.698 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.505 24.338 22.102 1.00 0.00 H new ATOM 0 HG21 ILE A 23 16.745 25.221 21.123 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.364 25.007 19.398 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.312 26.010 20.424 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.188 22.852 23.922 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.023 21.942 22.402 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.639 22.377 23.008 1.00 0.00 H new ATOM 387 N LYS A 24 14.670 22.494 17.759 1.00 0.00 N ATOM 388 CA LYS A 24 15.213 22.320 16.417 1.00 0.00 C ATOM 389 C LYS A 24 14.100 22.323 15.375 1.00 0.00 C ATOM 390 O LYS A 24 14.349 22.115 14.187 1.00 0.00 O ATOM 391 CB LYS A 24 16.003 21.012 16.331 1.00 0.00 C ATOM 392 CG LYS A 24 17.163 20.936 17.308 1.00 0.00 C ATOM 393 CD LYS A 24 18.124 22.099 17.124 1.00 0.00 C ATOM 394 CE LYS A 24 18.752 22.089 15.739 1.00 0.00 C ATOM 395 NZ LYS A 24 18.049 23.011 14.804 1.00 0.00 N ATOM 0 H LYS A 24 14.405 21.625 18.222 1.00 0.00 H new ATOM 0 HA LYS A 24 15.881 23.156 16.211 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.328 20.177 16.516 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.385 20.894 15.317 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.781 20.937 18.329 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.697 19.996 17.168 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.593 23.039 17.277 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.907 22.048 17.880 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.800 22.378 15.814 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.728 21.076 15.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.707 23.320 14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.243 22.517 14.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.705 23.841 15.328 1.00 0.00 H new ATOM 409 N CYS A 25 12.874 22.562 15.826 1.00 0.00 N ATOM 410 CA CYS A 25 11.722 22.593 14.932 1.00 0.00 C ATOM 411 C CYS A 25 11.440 24.015 14.459 1.00 0.00 C ATOM 412 O CYS A 25 11.915 24.983 15.053 1.00 0.00 O ATOM 413 CB CYS A 25 10.489 22.022 15.634 1.00 0.00 C ATOM 414 SG CYS A 25 9.448 20.990 14.575 1.00 0.00 S ATOM 0 H CYS A 25 12.652 22.737 16.806 1.00 0.00 H new ATOM 0 HA CYS A 25 11.952 21.978 14.062 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.813 21.433 16.492 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.890 22.846 16.021 1.00 0.00 H new ATOM 0 HG CYS A 25 9.571 19.745 14.927 1.00 0.00 H new ATOM 420 N GLN A 26 10.665 24.133 13.385 1.00 0.00 N ATOM 421 CA GLN A 26 10.322 25.438 12.831 1.00 0.00 C ATOM 422 C GLN A 26 8.865 25.472 12.381 1.00 0.00 C ATOM 423 O GLN A 26 8.419 24.609 11.624 1.00 0.00 O ATOM 424 CB GLN A 26 11.240 25.773 11.654 1.00 0.00 C ATOM 425 CG GLN A 26 12.713 25.821 12.026 1.00 0.00 C ATOM 426 CD GLN A 26 13.586 26.315 10.889 1.00 0.00 C ATOM 427 OE1 GLN A 26 13.507 27.477 10.490 1.00 0.00 O ATOM 428 NE2 GLN A 26 14.426 25.432 10.361 1.00 0.00 N ATOM 0 H GLN A 26 10.263 23.342 12.882 1.00 0.00 H new ATOM 0 HA GLN A 26 10.459 26.185 13.613 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.096 25.031 10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.947 26.737 11.238 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.845 26.473 12.890 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.041 24.825 12.325 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.458 24.479 10.723 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.039 25.707 9.593 1.00 0.00 H new ATOM 437 N CYS A 27 8.129 26.473 12.851 1.00 0.00 N ATOM 438 CA CYS A 27 6.722 26.618 12.498 1.00 0.00 C ATOM 439 C CYS A 27 6.400 28.064 12.131 1.00 0.00 C ATOM 440 O CYS A 27 7.208 28.965 12.354 1.00 0.00 O ATOM 441 CB CYS A 27 5.834 26.164 13.657 1.00 0.00 C ATOM 442 SG CYS A 27 6.152 27.028 15.213 1.00 0.00 S ATOM 0 H CYS A 27 8.483 27.196 13.477 1.00 0.00 H new ATOM 0 HA CYS A 27 6.524 25.989 11.630 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.790 26.310 13.380 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.976 25.094 13.812 1.00 0.00 H new ATOM 0 HG CYS A 27 5.351 26.576 16.132 1.00 0.00 H new ATOM 448 N TRP A 28 5.216 28.276 11.568 1.00 0.00 N ATOM 449 CA TRP A 28 4.789 29.612 11.168 1.00 0.00 C ATOM 450 C TRP A 28 4.009 30.291 12.289 1.00 0.00 C ATOM 451 O TRP A 28 3.128 29.687 12.901 1.00 0.00 O ATOM 452 CB TRP A 28 3.930 29.538 9.905 1.00 0.00 C ATOM 453 CG TRP A 28 4.713 29.194 8.674 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.134 27.952 8.291 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.168 30.103 7.666 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.825 28.035 7.106 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.859 29.343 6.701 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.059 31.484 7.483 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.437 29.920 5.574 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.633 32.055 6.364 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.314 31.275 5.420 1.00 0.00 C ATOM 0 H TRP A 28 4.535 27.541 11.378 1.00 0.00 H new ATOM 0 HA TRP A 28 5.680 30.205 10.959 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.148 28.793 10.049 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.433 30.497 9.755 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.951 27.039 8.839 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.245 27.250 6.609 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.535 32.094 8.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.964 29.320 4.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.556 33.122 6.214 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.750 31.752 4.555 1.00 0.00 H new ATOM 472 N VAL A 29 4.338 31.552 12.553 1.00 0.00 N ATOM 473 CA VAL A 29 3.668 32.314 13.599 1.00 0.00 C ATOM 474 C VAL A 29 2.828 33.440 13.007 1.00 0.00 C ATOM 475 O VAL A 29 3.213 34.057 12.014 1.00 0.00 O ATOM 476 CB VAL A 29 4.680 32.912 14.595 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.957 33.605 15.740 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.613 31.831 15.118 1.00 0.00 C ATOM 0 H VAL A 29 5.065 32.067 12.056 1.00 0.00 H new ATOM 0 HA VAL A 29 3.017 31.619 14.128 1.00 0.00 H new ATOM 0 HB VAL A 29 5.281 33.657 14.074 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.688 34.021 16.433 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.334 34.407 15.345 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.330 32.884 16.264 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.321 32.270 15.820 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.030 31.061 15.624 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.157 31.385 14.285 1.00 0.00 H new ATOM 488 N GLN A 30 1.680 33.702 13.623 1.00 0.00 N ATOM 489 CA GLN A 30 0.786 34.755 13.156 1.00 0.00 C ATOM 490 C GLN A 30 1.196 36.109 13.724 1.00 0.00 C ATOM 491 O GLN A 30 1.169 36.320 14.937 1.00 0.00 O ATOM 492 CB GLN A 30 -0.658 34.439 13.550 1.00 0.00 C ATOM 493 CG GLN A 30 -1.551 34.100 12.368 1.00 0.00 C ATOM 494 CD GLN A 30 -1.852 32.618 12.269 1.00 0.00 C ATOM 495 OE1 GLN A 30 -1.145 31.790 12.844 1.00 0.00 O ATOM 496 NE2 GLN A 30 -2.906 32.275 11.538 1.00 0.00 N ATOM 0 H GLN A 30 1.347 33.200 14.446 1.00 0.00 H new ATOM 0 HA GLN A 30 0.857 34.801 12.069 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.660 33.602 14.248 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.078 35.296 14.078 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.487 34.652 12.455 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.070 34.431 11.448 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.464 32.995 11.079 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.158 31.292 11.436 1.00 0.00 H new ATOM 505 N LYS A 31 1.576 37.026 12.841 1.00 0.00 N ATOM 506 CA LYS A 31 1.992 38.361 13.253 1.00 0.00 C ATOM 507 C LYS A 31 1.517 39.411 12.254 1.00 0.00 C ATOM 508 O LYS A 31 1.615 39.219 11.043 1.00 0.00 O ATOM 509 CB LYS A 31 3.514 38.424 13.390 1.00 0.00 C ATOM 510 CG LYS A 31 3.983 39.146 14.642 1.00 0.00 C ATOM 511 CD LYS A 31 3.514 38.438 15.902 1.00 0.00 C ATOM 512 CE LYS A 31 4.343 38.845 17.111 1.00 0.00 C ATOM 513 NZ LYS A 31 5.446 37.881 17.377 1.00 0.00 N ATOM 0 H LYS A 31 1.604 36.868 11.834 1.00 0.00 H new ATOM 0 HA LYS A 31 1.538 38.573 14.221 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.912 37.409 13.395 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.929 38.925 12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.071 39.207 14.642 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.606 40.169 14.636 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.465 38.672 16.083 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.580 37.359 15.761 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.761 39.838 16.947 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.699 38.911 17.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.277 38.394 17.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.136 37.186 18.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.697 37.389 16.496 1.00 0.00 H new ATOM 527 N ASN A 32 1.003 40.523 12.770 1.00 0.00 N ATOM 528 CA ASN A 32 0.513 41.604 11.922 1.00 0.00 C ATOM 529 C ASN A 32 -0.508 41.086 10.915 1.00 0.00 C ATOM 530 O ASN A 32 -0.399 41.343 9.716 1.00 0.00 O ATOM 531 CB ASN A 32 1.678 42.271 11.188 1.00 0.00 C ATOM 532 CG ASN A 32 2.509 43.152 12.101 1.00 0.00 C ATOM 533 OD1 ASN A 32 3.190 42.662 13.002 1.00 0.00 O ATOM 534 ND2 ASN A 32 2.457 44.459 11.871 1.00 0.00 N ATOM 0 H ASN A 32 0.915 40.699 13.771 1.00 0.00 H new ATOM 0 HA ASN A 32 0.025 42.340 12.560 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.315 41.503 10.750 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.290 42.870 10.364 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.995 45.101 12.453 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.879 44.821 11.113 1.00 0.00 H new ATOM 541 N ASP A 33 -1.501 40.355 11.410 1.00 0.00 N ATOM 542 CA ASP A 33 -2.543 39.801 10.554 1.00 0.00 C ATOM 543 C ASP A 33 -1.935 39.026 9.389 1.00 0.00 C ATOM 544 O ASP A 33 -2.536 38.922 8.320 1.00 0.00 O ATOM 545 CB ASP A 33 -3.445 40.918 10.024 1.00 0.00 C ATOM 546 CG ASP A 33 -4.736 40.388 9.432 1.00 0.00 C ATOM 547 OD1 ASP A 33 -5.007 39.179 9.587 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.474 41.182 8.812 1.00 0.00 O ATOM 0 H ASP A 33 -1.606 40.132 12.400 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.142 39.113 11.151 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.677 41.609 10.834 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.907 41.486 9.265 1.00 0.00 H new ATOM 553 N GLU A 34 -0.740 38.486 9.604 1.00 0.00 N ATOM 554 CA GLU A 34 -0.051 37.722 8.571 1.00 0.00 C ATOM 555 C GLU A 34 0.645 36.502 9.168 1.00 0.00 C ATOM 556 O GLU A 34 0.611 36.288 10.380 1.00 0.00 O ATOM 557 CB GLU A 34 0.972 38.603 7.851 1.00 0.00 C ATOM 558 CG GLU A 34 0.364 39.483 6.771 1.00 0.00 C ATOM 559 CD GLU A 34 1.336 40.524 6.251 1.00 0.00 C ATOM 560 OE1 GLU A 34 2.507 40.171 5.999 1.00 0.00 O ATOM 561 OE2 GLU A 34 0.925 41.693 6.096 1.00 0.00 O ATOM 0 H GLU A 34 -0.229 38.563 10.483 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.796 37.379 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.474 39.235 8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.735 37.967 7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.030 38.857 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.519 39.983 7.169 1.00 0.00 H new ATOM 568 N GLU A 35 1.273 35.706 8.309 1.00 0.00 N ATOM 569 CA GLU A 35 1.974 34.507 8.752 1.00 0.00 C ATOM 570 C GLU A 35 3.435 34.536 8.310 1.00 0.00 C ATOM 571 O GLU A 35 3.733 34.650 7.121 1.00 0.00 O ATOM 572 CB GLU A 35 1.289 33.255 8.201 1.00 0.00 C ATOM 573 CG GLU A 35 1.001 33.325 6.710 1.00 0.00 C ATOM 574 CD GLU A 35 -0.478 33.211 6.396 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.180 32.464 7.109 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.934 33.869 5.437 1.00 0.00 O ATOM 0 H GLU A 35 1.311 35.870 7.303 1.00 0.00 H new ATOM 0 HA GLU A 35 1.942 34.481 9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.920 32.389 8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.353 33.098 8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.381 34.267 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.539 32.525 6.202 1.00 0.00 H new ATOM 583 N ARG A 36 4.341 34.434 9.277 1.00 0.00 N ATOM 584 CA ARG A 36 5.770 34.451 8.989 1.00 0.00 C ATOM 585 C ARG A 36 6.465 33.244 9.612 1.00 0.00 C ATOM 586 O ARG A 36 6.090 32.788 10.693 1.00 0.00 O ATOM 587 CB ARG A 36 6.402 35.743 9.512 1.00 0.00 C ATOM 588 CG ARG A 36 5.851 36.999 8.858 1.00 0.00 C ATOM 589 CD ARG A 36 5.936 38.196 9.791 1.00 0.00 C ATOM 590 NE ARG A 36 5.240 39.361 9.252 1.00 0.00 N ATOM 591 CZ ARG A 36 5.422 40.599 9.699 1.00 0.00 C ATOM 592 NH1 ARG A 36 6.274 40.831 10.689 1.00 0.00 N ATOM 593 NH2 ARG A 36 4.752 41.607 9.157 1.00 0.00 N ATOM 0 H ARG A 36 4.111 34.339 10.266 1.00 0.00 H new ATOM 0 HA ARG A 36 5.898 34.404 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.244 35.805 10.589 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.479 35.702 9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.407 37.208 7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.813 36.835 8.569 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.507 37.933 10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.982 38.447 9.964 1.00 0.00 H new ATOM 0 HE ARG A 36 4.577 39.216 8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.791 40.058 11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.412 41.782 11.031 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.096 41.433 8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.893 42.557 9.501 1.00 0.00 H new ATOM 607 N LEU A 37 7.478 32.730 8.923 1.00 0.00 N ATOM 608 CA LEU A 37 8.225 31.575 9.408 1.00 0.00 C ATOM 609 C LEU A 37 8.977 31.913 10.692 1.00 0.00 C ATOM 610 O LEU A 37 9.612 32.961 10.794 1.00 0.00 O ATOM 611 CB LEU A 37 9.209 31.094 8.340 1.00 0.00 C ATOM 612 CG LEU A 37 9.797 29.698 8.549 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.934 28.648 7.868 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.225 29.638 8.028 1.00 0.00 C ATOM 0 H LEU A 37 7.801 33.095 8.027 1.00 0.00 H new ATOM 0 HA LEU A 37 7.514 30.778 9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.704 31.113 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.031 31.808 8.284 1.00 0.00 H new ATOM 0 HG LEU A 37 9.813 29.487 9.618 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.368 27.661 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.929 28.675 8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.885 28.855 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.628 28.637 8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.234 29.870 6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.838 30.364 8.562 1.00 0.00 H new ATOM 626 N ALA A 38 8.900 31.015 11.670 1.00 0.00 N ATOM 627 CA ALA A 38 9.577 31.216 12.945 1.00 0.00 C ATOM 628 C ALA A 38 10.208 29.919 13.441 1.00 0.00 C ATOM 629 O ALA A 38 9.592 28.856 13.382 1.00 0.00 O ATOM 630 CB ALA A 38 8.602 31.759 13.979 1.00 0.00 C ATOM 0 H ALA A 38 8.376 30.142 11.603 1.00 0.00 H new ATOM 0 HA ALA A 38 10.374 31.944 12.795 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.120 31.905 14.927 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.200 32.712 13.635 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.786 31.050 14.117 1.00 0.00 H new ATOM 636 N GLU A 39 11.441 30.016 13.929 1.00 0.00 N ATOM 637 CA GLU A 39 12.156 28.850 14.434 1.00 0.00 C ATOM 638 C GLU A 39 12.093 28.790 15.957 1.00 0.00 C ATOM 639 O GLU A 39 12.210 29.811 16.634 1.00 0.00 O ATOM 640 CB GLU A 39 13.615 28.880 13.974 1.00 0.00 C ATOM 641 CG GLU A 39 14.484 27.824 14.637 1.00 0.00 C ATOM 642 CD GLU A 39 15.809 27.628 13.925 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.507 28.636 13.684 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.148 26.469 13.610 1.00 0.00 O ATOM 0 H GLU A 39 11.965 30.889 13.985 1.00 0.00 H new ATOM 0 HA GLU A 39 11.674 27.959 14.032 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.649 28.741 12.893 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.033 29.865 14.182 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.671 28.110 15.672 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.945 26.877 14.660 1.00 0.00 H new ATOM 651 N ILE A 40 11.906 27.586 16.489 1.00 0.00 N ATOM 652 CA ILE A 40 11.827 27.392 17.931 1.00 0.00 C ATOM 653 C ILE A 40 13.186 27.608 18.589 1.00 0.00 C ATOM 654 O ILE A 40 14.221 27.224 18.042 1.00 0.00 O ATOM 655 CB ILE A 40 11.317 25.983 18.283 1.00 0.00 C ATOM 656 CG1 ILE A 40 10.052 25.661 17.484 1.00 0.00 C ATOM 657 CG2 ILE A 40 11.048 25.874 19.776 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.877 26.550 17.828 1.00 0.00 C ATOM 0 H ILE A 40 11.806 26.731 15.942 1.00 0.00 H new ATOM 0 HA ILE A 40 11.120 28.130 18.311 1.00 0.00 H new ATOM 0 HB ILE A 40 12.087 25.258 18.019 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.270 25.756 16.420 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.775 24.622 17.661 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.688 24.872 20.009 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.969 26.066 20.327 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.294 26.606 20.064 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.016 26.265 17.224 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.632 26.437 18.884 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.135 27.589 17.624 1.00 0.00 H new ATOM 670 N LEU A 41 13.176 28.221 19.768 1.00 0.00 N ATOM 671 CA LEU A 41 14.407 28.486 20.503 1.00 0.00 C ATOM 672 C LEU A 41 14.398 27.777 21.854 1.00 0.00 C ATOM 673 O LEU A 41 15.418 27.246 22.294 1.00 0.00 O ATOM 674 CB LEU A 41 14.590 29.991 20.706 1.00 0.00 C ATOM 675 CG LEU A 41 15.051 30.782 19.482 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.180 32.260 19.818 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.371 30.235 18.959 1.00 0.00 C ATOM 0 H LEU A 41 12.329 28.544 20.235 1.00 0.00 H new ATOM 0 HA LEU A 41 15.241 28.101 19.916 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.643 30.409 21.048 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.314 30.144 21.506 1.00 0.00 H new ATOM 0 HG LEU A 41 14.300 30.673 18.700 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.509 32.807 18.934 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.214 32.645 20.144 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.910 32.389 20.617 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.684 30.810 18.088 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.131 30.313 19.737 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.246 29.189 18.677 1.00 0.00 H new ATOM 689 N SER A 42 13.240 27.770 22.505 1.00 0.00 N ATOM 690 CA SER A 42 13.098 27.127 23.806 1.00 0.00 C ATOM 691 C SER A 42 11.633 26.823 24.105 1.00 0.00 C ATOM 692 O SER A 42 10.733 27.325 23.431 1.00 0.00 O ATOM 693 CB SER A 42 13.680 28.018 24.905 1.00 0.00 C ATOM 694 OG SER A 42 14.515 27.275 25.776 1.00 0.00 O ATOM 0 H SER A 42 12.386 28.202 22.153 1.00 0.00 H new ATOM 0 HA SER A 42 13.648 26.187 23.781 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.250 28.830 24.455 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.870 28.474 25.474 1.00 0.00 H new ATOM 0 HG SER A 42 14.876 27.868 26.468 1.00 0.00 H new ATOM 700 N ILE A 43 11.402 25.997 25.120 1.00 0.00 N ATOM 701 CA ILE A 43 10.047 25.626 25.510 1.00 0.00 C ATOM 702 C ILE A 43 9.802 25.914 26.987 1.00 0.00 C ATOM 703 O ILE A 43 10.669 25.679 27.828 1.00 0.00 O ATOM 704 CB ILE A 43 9.771 24.136 25.235 1.00 0.00 C ATOM 705 CG1 ILE A 43 10.145 23.782 23.794 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.309 23.810 25.504 1.00 0.00 C ATOM 707 CD1 ILE A 43 10.048 22.304 23.491 1.00 0.00 C ATOM 0 H ILE A 43 12.136 25.572 25.687 1.00 0.00 H new ATOM 0 HA ILE A 43 9.368 26.230 24.908 1.00 0.00 H new ATOM 0 HB ILE A 43 10.386 23.538 25.907 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.492 24.328 23.113 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.163 24.119 23.598 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.129 22.753 25.305 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.073 24.029 26.545 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.676 24.414 24.854 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.327 22.126 22.452 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.722 21.753 24.147 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.025 21.965 23.655 1.00 0.00 H new ATOM 719 N ASN A 44 8.613 26.422 27.295 1.00 0.00 N ATOM 720 CA ASN A 44 8.252 26.741 28.672 1.00 0.00 C ATOM 721 C ASN A 44 6.803 26.358 28.957 1.00 0.00 C ATOM 722 O ASN A 44 5.878 27.108 28.645 1.00 0.00 O ATOM 723 CB ASN A 44 8.460 28.232 28.944 1.00 0.00 C ATOM 724 CG ASN A 44 8.283 28.583 30.408 1.00 0.00 C ATOM 725 OD1 ASN A 44 7.747 27.794 31.187 1.00 0.00 O ATOM 726 ND2 ASN A 44 8.733 29.773 30.790 1.00 0.00 N ATOM 0 H ASN A 44 7.884 26.622 26.610 1.00 0.00 H new ATOM 0 HA ASN A 44 8.899 26.164 29.333 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.461 28.521 28.622 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.754 28.809 28.347 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.641 30.065 31.763 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.171 30.395 30.110 1.00 0.00 H new ATOM 733 N THR A 45 6.613 25.185 29.553 1.00 0.00 N ATOM 734 CA THR A 45 5.278 24.701 29.880 1.00 0.00 C ATOM 735 C THR A 45 4.964 24.909 31.357 1.00 0.00 C ATOM 736 O THR A 45 4.707 23.952 32.087 1.00 0.00 O ATOM 737 CB THR A 45 5.122 23.207 29.539 1.00 0.00 C ATOM 738 OG1 THR A 45 6.124 22.442 30.219 1.00 0.00 O ATOM 739 CG2 THR A 45 5.235 22.979 28.039 1.00 0.00 C ATOM 0 H THR A 45 7.368 24.552 29.819 1.00 0.00 H new ATOM 0 HA THR A 45 4.577 25.278 29.277 1.00 0.00 H new ATOM 0 HB THR A 45 4.134 22.884 29.866 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.000 22.527 31.187 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.122 21.917 27.823 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.453 23.539 27.526 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.211 23.318 27.692 1.00 0.00 H new ATOM 747 N ARG A 46 4.987 26.165 31.791 1.00 0.00 N ATOM 748 CA ARG A 46 4.705 26.498 33.182 1.00 0.00 C ATOM 749 C ARG A 46 3.260 26.962 33.348 1.00 0.00 C ATOM 750 O ARG A 46 2.734 27.002 34.460 1.00 0.00 O ATOM 751 CB ARG A 46 5.661 27.588 33.671 1.00 0.00 C ATOM 752 CG ARG A 46 5.279 28.985 33.211 1.00 0.00 C ATOM 753 CD ARG A 46 6.496 29.892 33.114 1.00 0.00 C ATOM 754 NE ARG A 46 6.603 30.788 34.263 1.00 0.00 N ATOM 755 CZ ARG A 46 5.761 31.789 34.494 1.00 0.00 C ATOM 756 NH1 ARG A 46 4.756 32.021 33.662 1.00 0.00 N ATOM 757 NH2 ARG A 46 5.925 32.561 35.561 1.00 0.00 N ATOM 0 H ARG A 46 5.198 26.969 31.199 1.00 0.00 H new ATOM 0 HA ARG A 46 4.851 25.600 33.782 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.693 27.569 34.760 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.667 27.361 33.319 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.788 28.928 32.239 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.559 29.414 33.907 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.397 29.283 33.044 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.437 30.481 32.199 1.00 0.00 H new ATOM 0 HE ARG A 46 7.365 30.637 34.923 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.627 31.430 32.841 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.112 32.791 33.843 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.698 32.386 36.203 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.279 33.330 35.739 1.00 0.00 H new ATOM 771 N LYS A 47 2.625 27.311 32.235 1.00 0.00 N ATOM 772 CA LYS A 47 1.241 27.771 32.255 1.00 0.00 C ATOM 773 C LYS A 47 0.355 26.869 31.402 1.00 0.00 C ATOM 774 O LYS A 47 0.815 25.863 30.862 1.00 0.00 O ATOM 775 CB LYS A 47 1.154 29.213 31.751 1.00 0.00 C ATOM 776 CG LYS A 47 0.195 30.080 32.549 1.00 0.00 C ATOM 777 CD LYS A 47 0.633 31.534 32.558 1.00 0.00 C ATOM 778 CE LYS A 47 -0.043 32.313 33.676 1.00 0.00 C ATOM 779 NZ LYS A 47 0.581 32.037 34.999 1.00 0.00 N ATOM 0 H LYS A 47 3.047 27.284 31.307 1.00 0.00 H new ATOM 0 HA LYS A 47 0.886 27.730 33.285 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.147 29.661 31.783 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.841 29.206 30.707 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.806 30.003 32.124 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.136 29.711 33.573 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.715 31.588 32.678 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.395 31.993 31.598 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.016 33.380 33.462 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.101 32.053 33.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.161 32.661 35.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.414 31.045 35.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.605 32.213 34.943 1.00 0.00 H new ATOM 793 N ALA A 48 -0.916 27.237 31.284 1.00 0.00 N ATOM 794 CA ALA A 48 -1.865 26.463 30.493 1.00 0.00 C ATOM 795 C ALA A 48 -2.799 27.376 29.707 1.00 0.00 C ATOM 796 O ALA A 48 -3.623 28.096 30.271 1.00 0.00 O ATOM 797 CB ALA A 48 -2.667 25.533 31.393 1.00 0.00 C ATOM 0 H ALA A 48 -1.313 28.066 31.726 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.301 25.863 29.779 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.372 24.961 30.789 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.990 24.850 31.906 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.214 26.122 32.129 1.00 0.00 H new ATOM 803 N PRO A 49 -2.669 27.350 28.372 1.00 0.00 N ATOM 804 CA PRO A 49 -1.691 26.497 27.689 1.00 0.00 C ATOM 805 C PRO A 49 -0.257 26.962 27.918 1.00 0.00 C ATOM 806 O PRO A 49 -0.006 28.064 28.407 1.00 0.00 O ATOM 807 CB PRO A 49 -2.069 26.636 26.213 1.00 0.00 C ATOM 808 CG PRO A 49 -2.749 27.959 26.119 1.00 0.00 C ATOM 809 CD PRO A 49 -3.466 28.150 27.427 1.00 0.00 C ATOM 0 HA PRO A 49 -1.719 25.471 28.055 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.187 26.598 25.573 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.729 25.828 25.895 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.027 28.758 25.950 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.449 27.980 25.284 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.499 29.200 27.718 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.497 27.801 27.375 1.00 0.00 H new ATOM 817 N PRO A 50 0.709 26.105 27.557 1.00 0.00 N ATOM 818 CA PRO A 50 2.135 26.407 27.712 1.00 0.00 C ATOM 819 C PRO A 50 2.605 27.494 26.752 1.00 0.00 C ATOM 820 O PRO A 50 1.873 27.898 25.848 1.00 0.00 O ATOM 821 CB PRO A 50 2.817 25.075 27.388 1.00 0.00 C ATOM 822 CG PRO A 50 1.853 24.361 26.505 1.00 0.00 C ATOM 823 CD PRO A 50 0.483 24.774 26.968 1.00 0.00 C ATOM 0 HA PRO A 50 2.365 26.788 28.707 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.772 25.231 26.887 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.022 24.504 28.294 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.009 24.629 25.460 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.981 23.281 26.580 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.225 24.816 26.141 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.078 24.074 27.699 1.00 0.00 H new ATOM 831 N LYS A 51 3.832 27.964 26.952 1.00 0.00 N ATOM 832 CA LYS A 51 4.402 29.003 26.103 1.00 0.00 C ATOM 833 C LYS A 51 5.638 28.490 25.371 1.00 0.00 C ATOM 834 O LYS A 51 6.322 27.584 25.847 1.00 0.00 O ATOM 835 CB LYS A 51 4.765 30.232 26.940 1.00 0.00 C ATOM 836 CG LYS A 51 3.562 31.056 27.364 1.00 0.00 C ATOM 837 CD LYS A 51 3.976 32.268 28.183 1.00 0.00 C ATOM 838 CE LYS A 51 2.818 33.235 28.373 1.00 0.00 C ATOM 839 NZ LYS A 51 1.820 32.719 29.350 1.00 0.00 N ATOM 0 H LYS A 51 4.451 27.641 27.696 1.00 0.00 H new ATOM 0 HA LYS A 51 3.653 29.284 25.362 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.305 29.909 27.830 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.444 30.864 26.367 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.014 31.383 26.480 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.883 30.436 27.949 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.343 31.942 29.156 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.801 32.779 27.686 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.200 34.196 28.717 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.330 33.411 27.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.046 33.407 29.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.437 31.814 29.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.279 32.575 30.272 1.00 0.00 H new ATOM 853 N PHE A 52 5.919 29.077 24.212 1.00 0.00 N ATOM 854 CA PHE A 52 7.073 28.679 23.414 1.00 0.00 C ATOM 855 C PHE A 52 7.839 29.902 22.919 1.00 0.00 C ATOM 856 O PHE A 52 7.255 30.961 22.685 1.00 0.00 O ATOM 857 CB PHE A 52 6.628 27.825 22.225 1.00 0.00 C ATOM 858 CG PHE A 52 5.845 26.607 22.622 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.499 26.704 22.936 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.454 25.364 22.680 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.776 25.585 23.302 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.736 24.240 23.045 1.00 0.00 C ATOM 863 CZ PHE A 52 4.395 24.351 23.355 1.00 0.00 C ATOM 0 H PHE A 52 5.364 29.829 23.805 1.00 0.00 H new ATOM 0 HA PHE A 52 7.736 28.089 24.047 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.021 28.435 21.556 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.508 27.514 21.662 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.009 27.666 22.894 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.502 25.272 22.437 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.728 25.675 23.546 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.223 23.277 23.088 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.831 23.475 23.638 1.00 0.00 H new ATOM 873 N TYR A 53 9.149 29.749 22.761 1.00 0.00 N ATOM 874 CA TYR A 53 9.996 30.840 22.296 1.00 0.00 C ATOM 875 C TYR A 53 10.299 30.699 20.807 1.00 0.00 C ATOM 876 O TYR A 53 10.994 29.772 20.389 1.00 0.00 O ATOM 877 CB TYR A 53 11.301 30.876 23.092 1.00 0.00 C ATOM 878 CG TYR A 53 11.909 32.256 23.198 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.144 33.345 23.598 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.248 32.473 22.895 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.695 34.608 23.695 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.807 33.732 22.991 1.00 0.00 C ATOM 883 CZ TYR A 53 13.027 34.797 23.391 1.00 0.00 C ATOM 884 OH TYR A 53 13.580 36.053 23.486 1.00 0.00 O ATOM 0 H TYR A 53 9.647 28.879 22.948 1.00 0.00 H new ATOM 0 HA TYR A 53 9.458 31.775 22.452 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.115 30.492 24.095 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.021 30.206 22.623 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.101 33.201 23.837 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.862 31.643 22.579 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.086 35.443 24.007 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.850 33.882 22.754 1.00 0.00 H new ATOM 0 HH TYR A 53 14.356 36.115 22.890 1.00 0.00 H new ATOM 894 N VAL A 54 9.774 31.625 20.012 1.00 0.00 N ATOM 895 CA VAL A 54 9.988 31.606 18.570 1.00 0.00 C ATOM 896 C VAL A 54 10.899 32.749 18.135 1.00 0.00 C ATOM 897 O VAL A 54 11.017 33.761 18.827 1.00 0.00 O ATOM 898 CB VAL A 54 8.656 31.706 17.803 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.895 30.391 17.882 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.815 32.852 18.344 1.00 0.00 C ATOM 0 H VAL A 54 9.197 32.398 20.342 1.00 0.00 H new ATOM 0 HA VAL A 54 10.464 30.655 18.333 1.00 0.00 H new ATOM 0 HB VAL A 54 8.874 31.910 16.755 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.957 30.480 17.335 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.497 29.595 17.443 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.685 30.154 18.925 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.878 32.908 17.791 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.604 32.681 19.400 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.360 33.789 18.230 1.00 0.00 H new ATOM 910 N HIS A 55 11.542 32.580 16.984 1.00 0.00 N ATOM 911 CA HIS A 55 12.442 33.599 16.455 1.00 0.00 C ATOM 912 C HIS A 55 12.240 33.775 14.953 1.00 0.00 C ATOM 913 O HIS A 55 12.382 32.826 14.181 1.00 0.00 O ATOM 914 CB HIS A 55 13.896 33.224 16.745 1.00 0.00 C ATOM 915 CG HIS A 55 14.884 33.944 15.880 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.799 35.292 15.601 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.984 33.496 15.231 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.803 35.642 14.818 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.538 34.570 14.578 1.00 0.00 N ATOM 0 H HIS A 55 11.457 31.748 16.400 1.00 0.00 H new ATOM 0 HA HIS A 55 12.212 34.544 16.948 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.116 33.439 17.791 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.020 32.150 16.607 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.357 32.482 15.227 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.992 36.635 14.438 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.379 34.544 14.002 1.00 0.00 H new ATOM 927 N TYR A 56 11.909 34.995 14.545 1.00 0.00 N ATOM 928 CA TYR A 56 11.684 35.296 13.136 1.00 0.00 C ATOM 929 C TYR A 56 12.996 35.268 12.358 1.00 0.00 C ATOM 930 O TYR A 56 13.837 36.154 12.505 1.00 0.00 O ATOM 931 CB TYR A 56 11.016 36.664 12.985 1.00 0.00 C ATOM 932 CG TYR A 56 9.584 36.695 13.469 1.00 0.00 C ATOM 933 CD1 TYR A 56 8.573 36.073 12.748 1.00 0.00 C ATOM 934 CD2 TYR A 56 9.243 37.348 14.647 1.00 0.00 C ATOM 935 CE1 TYR A 56 7.263 36.100 13.186 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.936 37.379 15.094 1.00 0.00 C ATOM 937 CZ TYR A 56 6.950 36.754 14.360 1.00 0.00 C ATOM 938 OH TYR A 56 5.646 36.783 14.800 1.00 0.00 O ATOM 0 H TYR A 56 11.790 35.792 15.170 1.00 0.00 H new ATOM 0 HA TYR A 56 11.024 34.531 12.727 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.594 37.404 13.538 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.043 36.958 11.936 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.815 35.559 11.829 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.013 37.840 15.223 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.488 35.612 12.613 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.688 37.890 16.013 1.00 0.00 H new ATOM 0 HH TYR A 56 5.182 35.973 14.502 1.00 0.00 H new ATOM 948 N VAL A 57 13.162 34.244 11.527 1.00 0.00 N ATOM 949 CA VAL A 57 14.369 34.100 10.723 1.00 0.00 C ATOM 950 C VAL A 57 14.545 35.284 9.778 1.00 0.00 C ATOM 951 O VAL A 57 15.663 35.738 9.537 1.00 0.00 O ATOM 952 CB VAL A 57 14.343 32.799 9.898 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.676 32.583 9.199 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.999 31.613 10.786 1.00 0.00 C ATOM 0 H VAL A 57 12.475 33.502 11.393 1.00 0.00 H new ATOM 0 HA VAL A 57 15.209 34.065 11.417 1.00 0.00 H new ATOM 0 HB VAL A 57 13.570 32.889 9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.638 31.659 8.621 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.877 33.421 8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.470 32.514 9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.985 30.702 10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.747 31.518 11.573 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.018 31.767 11.235 1.00 0.00 H new ATOM 964 N ASN A 58 13.432 35.780 9.247 1.00 0.00 N ATOM 965 CA ASN A 58 13.463 36.912 8.328 1.00 0.00 C ATOM 966 C ASN A 58 13.941 38.175 9.038 1.00 0.00 C ATOM 967 O ASN A 58 14.434 39.108 8.402 1.00 0.00 O ATOM 968 CB ASN A 58 12.075 37.146 7.727 1.00 0.00 C ATOM 969 CG ASN A 58 11.516 35.902 7.064 1.00 0.00 C ATOM 970 OD1 ASN A 58 12.014 35.460 6.028 1.00 0.00 O ATOM 971 ND2 ASN A 58 10.475 35.331 7.659 1.00 0.00 N ATOM 0 H ASN A 58 12.498 35.416 9.437 1.00 0.00 H new ATOM 0 HA ASN A 58 14.164 36.679 7.527 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.393 37.474 8.511 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.130 37.951 6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.056 34.492 7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.095 35.732 8.516 1.00 0.00 H new ATOM 978 N TYR A 59 13.793 38.198 10.357 1.00 0.00 N ATOM 979 CA TYR A 59 14.208 39.347 11.154 1.00 0.00 C ATOM 980 C TYR A 59 15.405 38.998 12.031 1.00 0.00 C ATOM 981 O TYR A 59 15.940 37.892 11.960 1.00 0.00 O ATOM 982 CB TYR A 59 13.049 39.836 12.024 1.00 0.00 C ATOM 983 CG TYR A 59 11.976 40.567 11.249 1.00 0.00 C ATOM 984 CD1 TYR A 59 10.903 39.881 10.692 1.00 0.00 C ATOM 985 CD2 TYR A 59 12.034 41.944 11.073 1.00 0.00 C ATOM 986 CE1 TYR A 59 9.921 40.544 9.982 1.00 0.00 C ATOM 987 CE2 TYR A 59 11.055 42.616 10.367 1.00 0.00 C ATOM 988 CZ TYR A 59 10.002 41.912 9.823 1.00 0.00 C ATOM 989 OH TYR A 59 9.025 42.577 9.118 1.00 0.00 O ATOM 0 H TYR A 59 13.388 37.434 10.898 1.00 0.00 H new ATOM 0 HA TYR A 59 14.502 40.144 10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.601 38.982 12.531 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.440 40.497 12.798 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.836 38.810 10.817 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.859 42.499 11.495 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.095 39.995 9.554 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.114 43.687 10.242 1.00 0.00 H new ATOM 0 HH TYR A 59 9.230 43.535 9.099 1.00 0.00 H new ATOM 999 N ASN A 60 15.821 39.950 12.860 1.00 0.00 N ATOM 1000 CA ASN A 60 16.956 39.744 13.753 1.00 0.00 C ATOM 1001 C ASN A 60 16.528 38.998 15.013 1.00 0.00 C ATOM 1002 O ASN A 60 15.340 38.763 15.236 1.00 0.00 O ATOM 1003 CB ASN A 60 17.585 41.087 14.130 1.00 0.00 C ATOM 1004 CG ASN A 60 18.088 41.850 12.920 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.068 41.457 12.288 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.417 42.948 12.592 1.00 0.00 N ATOM 0 H ASN A 60 15.389 40.871 12.932 1.00 0.00 H new ATOM 0 HA ASN A 60 17.695 39.139 13.228 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.850 41.694 14.659 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.413 40.917 14.819 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.709 43.503 11.787 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.610 43.237 13.145 1.00 0.00 H new ATOM 1013 N LYS A 61 17.504 38.630 15.836 1.00 0.00 N ATOM 1014 CA LYS A 61 17.231 37.912 17.076 1.00 0.00 C ATOM 1015 C LYS A 61 16.465 38.794 18.057 1.00 0.00 C ATOM 1016 O LYS A 61 15.936 38.311 19.058 1.00 0.00 O ATOM 1017 CB LYS A 61 18.538 37.437 17.713 1.00 0.00 C ATOM 1018 CG LYS A 61 18.345 36.367 18.773 1.00 0.00 C ATOM 1019 CD LYS A 61 18.034 35.016 18.151 1.00 0.00 C ATOM 1020 CE LYS A 61 19.306 34.257 17.803 1.00 0.00 C ATOM 1021 NZ LYS A 61 19.785 34.577 16.429 1.00 0.00 N ATOM 0 H LYS A 61 18.492 38.817 15.667 1.00 0.00 H new ATOM 0 HA LYS A 61 16.615 37.045 16.837 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.193 37.049 16.933 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.046 38.292 18.160 1.00 0.00 H new ATOM 0 HG2 LYS A 61 19.246 36.290 19.382 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.533 36.657 19.440 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.434 34.425 18.843 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.436 35.158 17.251 1.00 0.00 H new ATOM 0 HE2 LYS A 61 20.084 34.503 18.525 1.00 0.00 H new ATOM 0 HE3 LYS A 61 19.123 33.185 17.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 20.253 33.743 16.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.976 34.846 15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 20.461 35.366 16.472 1.00 0.00 H new ATOM 1035 N ARG A 62 16.409 40.089 17.763 1.00 0.00 N ATOM 1036 CA ARG A 62 15.708 41.038 18.619 1.00 0.00 C ATOM 1037 C ARG A 62 14.206 41.002 18.354 1.00 0.00 C ATOM 1038 O ARG A 62 13.437 41.734 18.979 1.00 0.00 O ATOM 1039 CB ARG A 62 16.243 42.453 18.394 1.00 0.00 C ATOM 1040 CG ARG A 62 15.980 42.988 16.996 1.00 0.00 C ATOM 1041 CD ARG A 62 17.193 43.721 16.442 1.00 0.00 C ATOM 1042 NE ARG A 62 17.691 44.732 17.370 1.00 0.00 N ATOM 1043 CZ ARG A 62 18.815 45.414 17.179 1.00 0.00 C ATOM 1044 NH1 ARG A 62 19.553 45.194 16.100 1.00 0.00 N ATOM 1045 NH2 ARG A 62 19.203 46.319 18.069 1.00 0.00 N ATOM 0 H ARG A 62 16.841 40.505 16.938 1.00 0.00 H new ATOM 0 HA ARG A 62 15.884 40.752 19.656 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.788 43.124 19.122 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.317 42.460 18.581 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.718 42.163 16.333 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.125 43.663 17.019 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.985 43.003 16.229 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.930 44.195 15.496 1.00 0.00 H new ATOM 0 HE ARG A 62 17.146 44.925 18.211 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.258 44.499 15.414 1.00 0.00 H new ATOM 0 HH12 ARG A 62 20.415 45.719 15.956 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.638 46.491 18.901 1.00 0.00 H new ATOM 0 HH22 ARG A 62 20.066 46.842 17.921 1.00 0.00 H new ATOM 1059 N LEU A 63 13.795 40.147 17.425 1.00 0.00 N ATOM 1060 CA LEU A 63 12.384 40.015 17.076 1.00 0.00 C ATOM 1061 C LEU A 63 11.759 38.814 17.778 1.00 0.00 C ATOM 1062 O LEU A 63 10.544 38.754 17.965 1.00 0.00 O ATOM 1063 CB LEU A 63 12.224 39.876 15.562 1.00 0.00 C ATOM 1064 CG LEU A 63 11.528 41.037 14.851 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.160 41.296 15.464 1.00 0.00 C ATOM 1066 CD2 LEU A 63 12.387 42.291 14.911 1.00 0.00 C ATOM 0 H LEU A 63 14.418 39.534 16.899 1.00 0.00 H new ATOM 0 HA LEU A 63 11.867 40.915 17.408 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.213 39.748 15.123 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.664 38.963 15.358 1.00 0.00 H new ATOM 0 HG LEU A 63 11.389 40.766 13.805 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.680 42.126 14.945 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.543 40.402 15.368 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.275 41.546 16.519 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.876 43.107 14.400 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.558 42.565 15.952 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.343 42.101 14.424 1.00 0.00 H new ATOM 1078 N ASP A 64 12.599 37.860 18.167 1.00 0.00 N ATOM 1079 CA ASP A 64 12.129 36.662 18.852 1.00 0.00 C ATOM 1080 C ASP A 64 11.329 37.026 20.099 1.00 0.00 C ATOM 1081 O ASP A 64 11.460 38.128 20.631 1.00 0.00 O ATOM 1082 CB ASP A 64 13.312 35.770 19.233 1.00 0.00 C ATOM 1083 CG ASP A 64 14.124 36.343 20.378 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.016 37.561 20.630 1.00 0.00 O ATOM 1085 OD2 ASP A 64 14.868 35.573 21.022 1.00 0.00 O ATOM 0 H ASP A 64 13.608 37.894 18.020 1.00 0.00 H new ATOM 0 HA ASP A 64 11.476 36.117 18.170 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.944 34.782 19.511 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.957 35.637 18.365 1.00 0.00 H new ATOM 1090 N GLU A 65 10.500 36.093 20.557 1.00 0.00 N ATOM 1091 CA GLU A 65 9.678 36.318 21.740 1.00 0.00 C ATOM 1092 C GLU A 65 8.912 35.054 22.119 1.00 0.00 C ATOM 1093 O GLU A 65 9.105 33.996 21.520 1.00 0.00 O ATOM 1094 CB GLU A 65 8.697 37.467 21.496 1.00 0.00 C ATOM 1095 CG GLU A 65 7.734 37.212 20.349 1.00 0.00 C ATOM 1096 CD GLU A 65 6.313 37.627 20.676 1.00 0.00 C ATOM 1097 OE1 GLU A 65 6.033 38.844 20.659 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.482 36.737 20.950 1.00 0.00 O ATOM 0 H GLU A 65 10.380 35.176 20.127 1.00 0.00 H new ATOM 0 HA GLU A 65 10.339 36.583 22.565 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.125 37.645 22.407 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.260 38.377 21.291 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.073 37.756 19.467 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.750 36.152 20.096 1.00 0.00 H new ATOM 1105 N TRP A 66 8.045 35.172 23.118 1.00 0.00 N ATOM 1106 CA TRP A 66 7.250 34.038 23.578 1.00 0.00 C ATOM 1107 C TRP A 66 5.840 34.092 23.002 1.00 0.00 C ATOM 1108 O TRP A 66 5.189 35.137 23.028 1.00 0.00 O ATOM 1109 CB TRP A 66 7.190 34.018 25.106 1.00 0.00 C ATOM 1110 CG TRP A 66 8.542 33.992 25.753 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.363 35.060 25.977 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.229 32.842 26.258 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.520 34.643 26.591 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.461 33.287 26.775 1.00 0.00 C ATOM 1115 CE3 TRP A 66 8.922 31.481 26.326 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.384 32.417 27.349 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 9.839 30.619 26.896 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.058 31.089 27.402 1.00 0.00 C ATOM 0 H TRP A 66 7.874 36.040 23.625 1.00 0.00 H new ATOM 0 HA TRP A 66 7.730 33.124 23.228 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.646 34.897 25.453 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.624 33.144 25.429 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.137 36.082 25.711 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.296 35.245 26.865 1.00 0.00 H new ATOM 0 HE3 TRP A 66 7.984 31.109 25.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.324 32.778 27.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.612 29.565 26.952 1.00 0.00 H new ATOM 0 HH2 TRP A 66 11.754 30.390 27.842 1.00 0.00 H new ATOM 1129 N ILE A 67 5.373 32.962 22.482 1.00 0.00 N ATOM 1130 CA ILE A 67 4.039 32.882 21.902 1.00 0.00 C ATOM 1131 C ILE A 67 3.280 31.671 22.433 1.00 0.00 C ATOM 1132 O ILE A 67 3.881 30.672 22.832 1.00 0.00 O ATOM 1133 CB ILE A 67 4.097 32.803 20.365 1.00 0.00 C ATOM 1134 CG1 ILE A 67 4.897 31.575 19.925 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.710 34.073 19.792 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.683 31.202 18.475 1.00 0.00 C ATOM 0 H ILE A 67 5.899 32.089 22.451 1.00 0.00 H new ATOM 0 HA ILE A 67 3.514 33.792 22.192 1.00 0.00 H new ATOM 0 HB ILE A 67 3.081 32.708 19.983 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.958 31.764 20.090 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.622 30.728 20.554 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.744 34.002 18.705 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.104 34.932 20.081 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.721 34.196 20.180 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.281 30.323 18.233 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.629 30.981 18.308 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.985 32.033 17.837 1.00 0.00 H new ATOM 1148 N THR A 68 1.953 31.764 22.434 1.00 0.00 N ATOM 1149 CA THR A 68 1.111 30.676 22.915 1.00 0.00 C ATOM 1150 C THR A 68 0.555 29.858 21.756 1.00 0.00 C ATOM 1151 O THR A 68 0.767 30.190 20.589 1.00 0.00 O ATOM 1152 CB THR A 68 -0.060 31.206 23.764 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.492 32.476 23.263 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.347 31.341 25.223 1.00 0.00 C ATOM 0 H THR A 68 1.439 32.582 22.107 1.00 0.00 H new ATOM 0 HA THR A 68 1.741 30.039 23.536 1.00 0.00 H new ATOM 0 HB THR A 68 -0.881 30.492 23.698 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.238 32.806 23.807 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.496 31.717 25.803 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.647 30.367 25.609 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.182 32.036 25.305 1.00 0.00 H new ATOM 1162 N THR A 69 -0.160 28.785 22.083 1.00 0.00 N ATOM 1163 CA THR A 69 -0.747 27.919 21.069 1.00 0.00 C ATOM 1164 C THR A 69 -1.630 28.712 20.113 1.00 0.00 C ATOM 1165 O THR A 69 -1.599 28.497 18.901 1.00 0.00 O ATOM 1166 CB THR A 69 -1.582 26.793 21.707 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.779 27.334 22.277 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.785 26.070 22.782 1.00 0.00 C ATOM 0 H THR A 69 -0.346 28.496 23.043 1.00 0.00 H new ATOM 0 HA THR A 69 0.080 27.477 20.513 1.00 0.00 H new ATOM 0 HB THR A 69 -1.842 26.077 20.927 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.305 26.612 22.679 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.396 25.279 23.218 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.111 25.634 22.340 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.498 26.777 23.560 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.417 29.629 20.665 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.308 30.457 19.860 1.00 0.00 C ATOM 1178 C ASP A 70 -2.512 31.395 18.958 1.00 0.00 C ATOM 1179 O ASP A 70 -3.059 31.992 18.030 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.241 31.266 20.762 1.00 0.00 C ATOM 1181 CG ASP A 70 -4.967 30.398 21.771 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.782 29.552 21.347 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -4.722 30.566 22.984 1.00 0.00 O ATOM 0 H ASP A 70 -2.456 29.818 21.667 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.906 29.798 19.230 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.664 32.025 21.289 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.971 31.791 20.147 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.219 31.520 19.237 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.348 32.387 18.452 1.00 0.00 C ATOM 1190 C ARG A 71 0.452 31.578 17.435 1.00 0.00 C ATOM 1191 O ARG A 71 1.237 32.133 16.666 1.00 0.00 O ATOM 1192 CB ARG A 71 0.603 33.156 19.371 1.00 0.00 C ATOM 1193 CG ARG A 71 -0.091 34.200 20.229 1.00 0.00 C ATOM 1194 CD ARG A 71 0.850 35.339 20.590 1.00 0.00 C ATOM 1195 NE ARG A 71 0.132 36.493 21.125 1.00 0.00 N ATOM 1196 CZ ARG A 71 -0.645 37.281 20.390 1.00 0.00 C ATOM 1197 NH1 ARG A 71 -0.803 37.040 19.096 1.00 0.00 N ATOM 1198 NH2 ARG A 71 -1.265 38.312 20.949 1.00 0.00 N ATOM 0 H ARG A 71 -0.751 31.032 20.001 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.974 33.097 17.912 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.118 32.448 20.021 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.365 33.645 18.764 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.955 34.596 19.695 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.466 33.733 21.140 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.576 34.991 21.325 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.412 35.640 19.705 1.00 0.00 H new ATOM 0 HE ARG A 71 0.233 36.706 22.118 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.328 36.248 18.663 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.400 37.646 18.534 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.145 38.501 21.944 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.861 38.916 20.384 1.00 0.00 H new ATOM 1212 N ILE A 72 0.248 30.265 17.439 1.00 0.00 N ATOM 1213 CA ILE A 72 0.949 29.381 16.517 1.00 0.00 C ATOM 1214 C ILE A 72 0.067 29.012 15.330 1.00 0.00 C ATOM 1215 O ILE A 72 -1.143 28.839 15.472 1.00 0.00 O ATOM 1216 CB ILE A 72 1.413 28.090 17.218 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.351 28.423 18.380 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.099 27.165 16.225 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.426 27.336 19.428 1.00 0.00 C ATOM 0 H ILE A 72 -0.397 29.790 18.071 1.00 0.00 H new ATOM 0 HA ILE A 72 1.823 29.926 16.161 1.00 0.00 H new ATOM 0 HB ILE A 72 0.538 27.577 17.618 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.351 28.607 17.987 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.018 29.348 18.851 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.421 26.257 16.736 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.402 26.905 15.428 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.967 27.668 15.798 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.109 27.641 20.221 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.435 27.167 19.849 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.788 26.415 18.972 1.00 0.00 H new ATOM 1231 N ASN A 73 0.682 28.891 14.157 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.048 28.541 12.944 1.00 0.00 C ATOM 1233 C ASN A 73 0.110 27.058 12.623 1.00 0.00 C ATOM 1234 O ASN A 73 1.158 26.623 12.144 1.00 0.00 O ATOM 1235 CB ASN A 73 0.445 29.385 11.767 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.632 29.602 10.720 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -1.663 28.929 10.726 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.396 30.545 9.816 1.00 0.00 N ATOM 0 H ASN A 73 1.683 29.030 14.021 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.105 28.747 13.113 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.790 30.351 12.135 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.303 28.895 11.306 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.084 30.737 9.087 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.473 31.078 9.850 1.00 0.00 H new ATOM 1245 N LEU A 74 -0.938 26.286 12.890 1.00 0.00 N ATOM 1246 CA LEU A 74 -0.917 24.851 12.629 1.00 0.00 C ATOM 1247 C LEU A 74 -1.528 24.536 11.267 1.00 0.00 C ATOM 1248 O LEU A 74 -1.984 23.419 11.024 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.676 24.102 13.726 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.995 24.046 15.094 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -1.999 23.682 16.176 1.00 0.00 C ATOM 1252 CD2 LEU A 74 0.156 23.051 15.076 1.00 0.00 C ATOM 0 H LEU A 74 -1.812 26.630 13.287 1.00 0.00 H new ATOM 0 HA LEU A 74 0.122 24.523 12.625 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.653 24.569 13.848 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.851 23.081 13.387 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.592 25.034 15.318 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.496 23.647 17.142 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.790 24.432 16.206 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.432 22.706 15.957 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.629 23.024 16.058 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.224 22.060 14.829 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.888 23.355 14.328 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.531 25.527 10.383 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.082 25.355 9.043 1.00 0.00 C ATOM 1266 C ASP A 75 -0.972 25.113 8.026 1.00 0.00 C ATOM 1267 O ASP A 75 -1.198 24.513 6.975 1.00 0.00 O ATOM 1268 CB ASP A 75 -2.899 26.585 8.643 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.369 26.440 8.984 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.727 26.647 10.162 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.161 26.118 8.074 1.00 0.00 O ATOM 0 H ASP A 75 -1.158 26.458 10.569 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.735 24.483 9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.497 27.464 9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.793 26.755 7.572 1.00 0.00 H new ATOM 1276 N LYS A 76 0.229 25.585 8.344 1.00 0.00 N ATOM 1277 CA LYS A 76 1.376 25.420 7.459 1.00 0.00 C ATOM 1278 C LYS A 76 2.256 24.263 7.919 1.00 0.00 C ATOM 1279 O LYS A 76 2.431 24.042 9.117 1.00 0.00 O ATOM 1280 CB LYS A 76 2.196 26.711 7.409 1.00 0.00 C ATOM 1281 CG LYS A 76 1.700 27.708 6.376 1.00 0.00 C ATOM 1282 CD LYS A 76 0.712 28.692 6.980 1.00 0.00 C ATOM 1283 CE LYS A 76 0.650 29.983 6.178 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.386 29.923 5.110 1.00 0.00 N ATOM 0 H LYS A 76 0.433 26.085 9.209 1.00 0.00 H new ATOM 0 HA LYS A 76 1.004 25.194 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.179 27.181 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.235 26.463 7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.547 28.252 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.226 27.174 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.278 28.238 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.000 28.914 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.434 30.816 6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.624 30.179 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.397 30.821 4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.167 29.144 4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.319 29.762 5.540 1.00 0.00 H new ATOM 1298 N GLU A 77 2.810 23.528 6.959 1.00 0.00 N ATOM 1299 CA GLU A 77 3.673 22.395 7.267 1.00 0.00 C ATOM 1300 C GLU A 77 4.789 22.805 8.224 1.00 0.00 C ATOM 1301 O GLU A 77 5.261 23.941 8.194 1.00 0.00 O ATOM 1302 CB GLU A 77 4.274 21.818 5.983 1.00 0.00 C ATOM 1303 CG GLU A 77 3.246 21.553 4.896 1.00 0.00 C ATOM 1304 CD GLU A 77 3.769 20.633 3.810 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.434 19.632 4.150 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.513 20.914 2.621 1.00 0.00 O ATOM 0 H GLU A 77 2.676 23.698 5.962 1.00 0.00 H new ATOM 0 HA GLU A 77 3.065 21.630 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.025 22.509 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.789 20.887 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.355 21.111 5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.942 22.500 4.450 1.00 0.00 H new ATOM 1313 N VAL A 78 5.205 21.870 9.073 1.00 0.00 N ATOM 1314 CA VAL A 78 6.265 22.133 10.039 1.00 0.00 C ATOM 1315 C VAL A 78 7.600 21.579 9.554 1.00 0.00 C ATOM 1316 O VAL A 78 7.647 20.567 8.855 1.00 0.00 O ATOM 1317 CB VAL A 78 5.936 21.521 11.414 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.985 21.920 12.441 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.547 21.943 11.866 1.00 0.00 C ATOM 0 H VAL A 78 4.824 20.924 9.111 1.00 0.00 H new ATOM 0 HA VAL A 78 6.340 23.216 10.140 1.00 0.00 H new ATOM 0 HB VAL A 78 5.948 20.435 11.321 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.736 21.478 13.406 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.963 21.562 12.120 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.009 23.006 12.534 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.331 21.502 12.839 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.504 23.029 11.943 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.809 21.601 11.141 1.00 0.00 H new ATOM 1329 N LEU A 79 8.684 22.249 9.931 1.00 0.00 N ATOM 1330 CA LEU A 79 10.022 21.823 9.535 1.00 0.00 C ATOM 1331 C LEU A 79 10.759 21.185 10.708 1.00 0.00 C ATOM 1332 O LEU A 79 10.754 21.713 11.820 1.00 0.00 O ATOM 1333 CB LEU A 79 10.821 23.015 9.004 1.00 0.00 C ATOM 1334 CG LEU A 79 11.189 22.967 7.520 1.00 0.00 C ATOM 1335 CD1 LEU A 79 12.076 21.767 7.228 1.00 0.00 C ATOM 1336 CD2 LEU A 79 9.934 22.927 6.660 1.00 0.00 C ATOM 0 H LEU A 79 8.663 23.089 10.510 1.00 0.00 H new ATOM 0 HA LEU A 79 9.921 21.079 8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.246 23.923 9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.740 23.098 9.584 1.00 0.00 H new ATOM 0 HG LEU A 79 11.745 23.872 7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.327 21.750 6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.991 21.839 7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.547 20.851 7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.215 22.893 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.351 22.040 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.336 23.819 6.847 1.00 0.00 H new ATOM 1348 N TYR A 80 11.394 20.046 10.451 1.00 0.00 N ATOM 1349 CA TYR A 80 12.137 19.336 11.485 1.00 0.00 C ATOM 1350 C TYR A 80 13.615 19.232 11.121 1.00 0.00 C ATOM 1351 O TYR A 80 14.005 19.360 9.961 1.00 0.00 O ATOM 1352 CB TYR A 80 11.552 17.937 11.693 1.00 0.00 C ATOM 1353 CG TYR A 80 10.370 17.909 12.636 1.00 0.00 C ATOM 1354 CD1 TYR A 80 9.083 18.155 12.175 1.00 0.00 C ATOM 1355 CD2 TYR A 80 10.542 17.637 13.988 1.00 0.00 C ATOM 1356 CE1 TYR A 80 8.000 18.131 13.033 1.00 0.00 C ATOM 1357 CE2 TYR A 80 9.465 17.610 14.853 1.00 0.00 C ATOM 1358 CZ TYR A 80 8.196 17.857 14.371 1.00 0.00 C ATOM 1359 OH TYR A 80 7.121 17.832 15.230 1.00 0.00 O ATOM 0 H TYR A 80 11.409 19.595 9.536 1.00 0.00 H new ATOM 0 HA TYR A 80 12.049 19.902 12.413 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.246 17.533 10.728 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.331 17.280 12.081 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.926 18.369 11.128 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.534 17.444 14.369 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.006 18.326 12.658 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.616 17.397 15.901 1.00 0.00 H new ATOM 0 HH TYR A 80 7.269 18.471 15.958 1.00 0.00 H new ATOM 1369 N PRO A 81 14.458 18.993 12.137 1.00 0.00 N ATOM 1370 CA PRO A 81 15.906 18.865 11.950 1.00 0.00 C ATOM 1371 C PRO A 81 16.284 17.589 11.207 1.00 0.00 C ATOM 1372 O PRO A 81 15.730 16.520 11.466 1.00 0.00 O ATOM 1373 CB PRO A 81 16.447 18.831 13.382 1.00 0.00 C ATOM 1374 CG PRO A 81 15.314 18.317 14.202 1.00 0.00 C ATOM 1375 CD PRO A 81 14.062 18.829 13.546 1.00 0.00 C ATOM 0 HA PRO A 81 16.312 19.676 11.346 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.319 18.182 13.461 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.757 19.823 13.712 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.319 17.228 14.236 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.387 18.668 15.231 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.236 18.126 13.652 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.736 19.772 13.984 1.00 0.00 H new