USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 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 55 HIS : no HE2:sc= -1.94 K(o=-1.8,f=-2.6) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -110:sc= 0.119 (180deg=-0.00898) USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= 0.0636 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -116:sc= -0.102 (180deg=-1.32!) USER MOD Single : A 16 ASN : amide:sc= -0.0419 X(o=-0.042,f=-0.29) USER MOD Single : A 17 SER OG : rot 170:sc= -0.119 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.299 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 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= -0.0055 (180deg=-0.517) USER MOD Single : A 32 ASN : amide:sc= -0.0662 K(o=-0.066,f=-1.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0162 K(o=-0.016,f=-2!) USER MOD Single : A 45 THR OG1 : rot 62:sc= 0.369 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -170:sc= -0.254 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.728 USER MOD Single : A 58 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.052) 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 68 THR OG1 : rot 180:sc= -0.0756 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0741 USER MOD Single : A 73 ASN : amide:sc= -0.0886 K(o=-0.089,f=-8.4!) USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= 0.617 (180deg=-0.685) USER MOD Single : A 80 TYR OH : rot 29:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.795 17.821 6.703 1.00 0.00 N ATOM 174 CA ILE A 11 11.544 17.076 6.756 1.00 0.00 C ATOM 175 C ILE A 11 10.349 18.015 6.884 1.00 0.00 C ATOM 176 O ILE A 11 10.322 18.886 7.753 1.00 0.00 O ATOM 177 CB ILE A 11 11.530 16.083 7.934 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.786 15.210 7.908 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.278 15.220 7.884 1.00 0.00 C ATOM 180 CD1 ILE A 11 13.864 15.674 8.863 1.00 0.00 C ATOM 0 HA ILE A 11 11.468 16.521 5.821 1.00 0.00 H new ATOM 0 HB ILE A 11 11.522 16.648 8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.511 14.184 8.154 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.189 15.198 6.895 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.282 14.524 8.722 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.395 15.856 7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.258 14.661 6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.725 15.009 8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.167 16.689 8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.478 15.659 9.882 1.00 0.00 H new ATOM 192 N ALA A 12 9.363 17.831 6.013 1.00 0.00 N ATOM 193 CA ALA A 12 8.164 18.660 6.030 1.00 0.00 C ATOM 194 C ALA A 12 6.933 17.836 6.392 1.00 0.00 C ATOM 195 O ALA A 12 6.409 17.087 5.567 1.00 0.00 O ATOM 196 CB ALA A 12 7.970 19.337 4.681 1.00 0.00 C ATOM 0 H ALA A 12 9.371 17.115 5.286 1.00 0.00 H new ATOM 0 HA ALA A 12 8.294 19.427 6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.071 19.953 4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.833 19.965 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.867 18.579 3.905 1.00 0.00 H new ATOM 202 N LYS A 13 6.475 17.978 7.631 1.00 0.00 N ATOM 203 CA LYS A 13 5.304 17.248 8.104 1.00 0.00 C ATOM 204 C LYS A 13 4.288 18.197 8.732 1.00 0.00 C ATOM 205 O LYS A 13 4.655 19.199 9.346 1.00 0.00 O ATOM 206 CB LYS A 13 5.719 16.182 9.120 1.00 0.00 C ATOM 207 CG LYS A 13 6.084 16.748 10.481 1.00 0.00 C ATOM 208 CD LYS A 13 6.643 15.675 11.400 1.00 0.00 C ATOM 209 CE LYS A 13 8.052 15.273 10.994 1.00 0.00 C ATOM 210 NZ LYS A 13 8.842 14.771 12.153 1.00 0.00 N ATOM 0 H LYS A 13 6.897 18.593 8.327 1.00 0.00 H new ATOM 0 HA LYS A 13 4.838 16.762 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.903 15.469 9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.571 15.629 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.819 17.544 10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.202 17.196 10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.649 16.041 12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.993 14.800 11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.002 14.500 10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.561 16.129 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.537 14.071 11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.338 15.565 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.203 14.325 12.842 1.00 0.00 H new ATOM 224 N LYS A 14 3.009 17.874 8.575 1.00 0.00 N ATOM 225 CA LYS A 14 1.939 18.696 9.129 1.00 0.00 C ATOM 226 C LYS A 14 1.425 18.108 10.439 1.00 0.00 C ATOM 227 O LYS A 14 0.929 16.982 10.473 1.00 0.00 O ATOM 228 CB LYS A 14 0.789 18.816 8.126 1.00 0.00 C ATOM 229 CG LYS A 14 1.015 19.881 7.067 1.00 0.00 C ATOM 230 CD LYS A 14 -0.164 19.978 6.113 1.00 0.00 C ATOM 231 CE LYS A 14 -1.301 20.791 6.713 1.00 0.00 C ATOM 232 NZ LYS A 14 -2.270 19.932 7.449 1.00 0.00 N ATOM 0 H LYS A 14 2.688 17.049 8.069 1.00 0.00 H new ATOM 0 HA LYS A 14 2.343 19.688 9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.643 17.853 7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.131 19.041 8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.175 20.846 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.920 19.651 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.159 20.437 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.520 18.977 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.893 21.541 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.821 21.328 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.196 19.972 6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.927 18.950 7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.364 20.273 8.427 1.00 0.00 H new ATOM 246 N ILE A 15 1.546 18.878 11.515 1.00 0.00 N ATOM 247 CA ILE A 15 1.091 18.434 12.827 1.00 0.00 C ATOM 248 C ILE A 15 -0.134 19.222 13.279 1.00 0.00 C ATOM 249 O ILE A 15 -0.566 20.158 12.607 1.00 0.00 O ATOM 250 CB ILE A 15 2.200 18.579 13.886 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.668 20.033 13.971 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.366 17.658 13.560 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.159 20.430 15.345 1.00 0.00 C ATOM 0 H ILE A 15 1.955 19.812 11.504 1.00 0.00 H new ATOM 0 HA ILE A 15 0.828 17.381 12.730 1.00 0.00 H new ATOM 0 HB ILE A 15 1.796 18.291 14.857 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.468 20.191 13.248 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.845 20.688 13.685 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.142 17.771 14.317 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.020 16.624 13.547 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.772 17.917 12.582 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.475 21.473 15.331 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.354 20.304 16.069 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.002 19.799 15.626 1.00 0.00 H new ATOM 265 N ASN A 16 -0.689 18.837 14.424 1.00 0.00 N ATOM 266 CA ASN A 16 -1.864 19.508 14.968 1.00 0.00 C ATOM 267 C ASN A 16 -1.753 19.657 16.482 1.00 0.00 C ATOM 268 O ASN A 16 -2.746 19.907 17.166 1.00 0.00 O ATOM 269 CB ASN A 16 -3.132 18.728 14.612 1.00 0.00 C ATOM 270 CG ASN A 16 -4.371 19.602 14.627 1.00 0.00 C ATOM 271 OD1 ASN A 16 -5.056 19.711 15.644 1.00 0.00 O ATOM 272 ND2 ASN A 16 -4.665 20.231 13.495 1.00 0.00 N ATOM 0 H ASN A 16 -0.344 18.064 14.993 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.921 20.503 14.526 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.016 18.283 13.624 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.261 17.907 15.318 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.487 20.833 13.445 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.069 20.112 12.676 1.00 0.00 H new ATOM 279 N SER A 17 -0.538 19.503 16.999 1.00 0.00 N ATOM 280 CA SER A 17 -0.298 19.618 18.433 1.00 0.00 C ATOM 281 C SER A 17 1.011 20.354 18.706 1.00 0.00 C ATOM 282 O SER A 17 2.048 20.036 18.125 1.00 0.00 O ATOM 283 CB SER A 17 -0.261 18.231 19.078 1.00 0.00 C ATOM 284 OG SER A 17 0.458 18.256 20.299 1.00 0.00 O ATOM 0 H SER A 17 0.295 19.298 16.447 1.00 0.00 H new ATOM 0 HA SER A 17 -1.116 20.192 18.869 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.278 17.883 19.258 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.203 17.520 18.394 1.00 0.00 H new ATOM 0 HG SER A 17 0.333 17.406 20.770 1.00 0.00 H new ATOM 290 N VAL A 18 0.953 21.340 19.596 1.00 0.00 N ATOM 291 CA VAL A 18 2.132 22.121 19.949 1.00 0.00 C ATOM 292 C VAL A 18 3.095 21.306 20.806 1.00 0.00 C ATOM 293 O VAL A 18 4.264 21.663 20.955 1.00 0.00 O ATOM 294 CB VAL A 18 1.748 23.405 20.708 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.742 24.218 19.907 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.197 23.066 22.084 1.00 0.00 C ATOM 0 H VAL A 18 0.102 21.616 20.085 1.00 0.00 H new ATOM 0 HA VAL A 18 2.623 22.393 19.015 1.00 0.00 H new ATOM 0 HB VAL A 18 2.645 24.010 20.840 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.482 25.121 20.459 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.178 24.492 18.946 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.156 23.624 19.741 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.931 23.985 22.606 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.311 22.440 21.977 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.953 22.529 22.657 1.00 0.00 H new ATOM 306 N ASP A 19 2.596 20.211 21.368 1.00 0.00 N ATOM 307 CA ASP A 19 3.412 19.344 22.210 1.00 0.00 C ATOM 308 C ASP A 19 4.576 18.757 21.418 1.00 0.00 C ATOM 309 O ASP A 19 5.685 18.620 21.936 1.00 0.00 O ATOM 310 CB ASP A 19 2.559 18.217 22.796 1.00 0.00 C ATOM 311 CG ASP A 19 3.370 17.262 23.650 1.00 0.00 C ATOM 312 OD1 ASP A 19 4.039 17.732 24.593 1.00 0.00 O ATOM 313 OD2 ASP A 19 3.335 16.044 23.374 1.00 0.00 O ATOM 0 H ASP A 19 1.630 19.902 21.256 1.00 0.00 H new ATOM 0 HA ASP A 19 3.816 19.945 23.024 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.758 18.647 23.397 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.087 17.663 21.985 1.00 0.00 H new ATOM 318 N ASP A 20 4.317 18.412 20.162 1.00 0.00 N ATOM 319 CA ASP A 20 5.343 17.840 19.298 1.00 0.00 C ATOM 320 C ASP A 20 6.207 18.936 18.682 1.00 0.00 C ATOM 321 O ASP A 20 6.340 19.022 17.461 1.00 0.00 O ATOM 322 CB ASP A 20 4.701 16.999 18.194 1.00 0.00 C ATOM 323 CG ASP A 20 4.389 15.587 18.649 1.00 0.00 C ATOM 324 OD1 ASP A 20 3.600 15.432 19.605 1.00 0.00 O ATOM 325 OD2 ASP A 20 4.934 14.637 18.050 1.00 0.00 O ATOM 0 H ASP A 20 3.404 18.519 19.719 1.00 0.00 H new ATOM 0 HA ASP A 20 5.980 17.199 19.908 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.782 17.482 17.861 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.370 16.961 17.334 1.00 0.00 H new ATOM 330 N ILE A 21 6.792 19.771 19.535 1.00 0.00 N ATOM 331 CA ILE A 21 7.643 20.861 19.074 1.00 0.00 C ATOM 332 C ILE A 21 8.996 20.836 19.776 1.00 0.00 C ATOM 333 O ILE A 21 9.085 20.520 20.963 1.00 0.00 O ATOM 334 CB ILE A 21 6.980 22.231 19.309 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.674 22.332 18.518 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.930 23.353 18.919 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.915 23.617 18.766 1.00 0.00 C ATOM 0 H ILE A 21 6.692 19.713 20.548 1.00 0.00 H new ATOM 0 HA ILE A 21 7.789 20.717 18.004 1.00 0.00 H new ATOM 0 HB ILE A 21 6.749 22.329 20.370 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.896 22.250 17.454 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.036 21.487 18.776 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.447 24.315 19.091 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.836 23.289 19.522 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.189 23.260 17.864 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.001 23.620 18.173 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.662 23.692 19.824 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.535 24.467 18.481 1.00 0.00 H new ATOM 349 N ILE A 22 10.047 21.173 19.036 1.00 0.00 N ATOM 350 CA ILE A 22 11.395 21.193 19.589 1.00 0.00 C ATOM 351 C ILE A 22 12.122 22.482 19.221 1.00 0.00 C ATOM 352 O ILE A 22 11.558 23.359 18.566 1.00 0.00 O ATOM 353 CB ILE A 22 12.223 19.991 19.097 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.155 19.888 17.572 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.728 18.706 19.743 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.217 18.989 16.979 1.00 0.00 C ATOM 0 H ILE A 22 9.991 21.436 18.052 1.00 0.00 H new ATOM 0 HA ILE A 22 11.292 21.134 20.673 1.00 0.00 H new ATOM 0 HB ILE A 22 13.263 20.142 19.386 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.172 19.514 17.285 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.254 20.885 17.144 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.323 17.866 19.385 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.824 18.783 20.826 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.682 18.547 19.481 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.108 18.963 15.895 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.204 19.374 17.236 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.105 17.981 17.379 1.00 0.00 H new ATOM 368 N ILE A 23 13.377 22.589 19.643 1.00 0.00 N ATOM 369 CA ILE A 23 14.182 23.769 19.355 1.00 0.00 C ATOM 370 C ILE A 23 14.584 23.815 17.885 1.00 0.00 C ATOM 371 O ILE A 23 14.849 24.884 17.335 1.00 0.00 O ATOM 372 CB ILE A 23 15.453 23.810 20.225 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.081 23.911 21.705 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.338 24.978 19.814 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.829 22.570 22.358 1.00 0.00 C ATOM 0 H ILE A 23 13.859 21.872 20.186 1.00 0.00 H new ATOM 0 HA ILE A 23 13.564 24.636 19.588 1.00 0.00 H new ATOM 0 HB ILE A 23 16.010 22.886 20.073 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.883 24.421 22.239 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.188 24.528 21.806 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.232 24.994 20.437 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.626 24.866 18.769 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.790 25.912 19.941 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.570 22.719 23.406 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.007 22.066 21.849 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.728 21.957 22.289 1.00 0.00 H new ATOM 387 N LYS A 24 14.626 22.647 17.252 1.00 0.00 N ATOM 388 CA LYS A 24 14.992 22.552 15.844 1.00 0.00 C ATOM 389 C LYS A 24 13.751 22.563 14.957 1.00 0.00 C ATOM 390 O LYS A 24 13.846 22.412 13.738 1.00 0.00 O ATOM 391 CB LYS A 24 15.802 21.278 15.591 1.00 0.00 C ATOM 392 CG LYS A 24 17.231 21.355 16.100 1.00 0.00 C ATOM 393 CD LYS A 24 17.423 20.517 17.352 1.00 0.00 C ATOM 394 CE LYS A 24 18.857 20.028 17.482 1.00 0.00 C ATOM 395 NZ LYS A 24 18.964 18.859 18.398 1.00 0.00 N ATOM 0 H LYS A 24 14.411 21.753 17.693 1.00 0.00 H new ATOM 0 HA LYS A 24 15.603 23.419 15.594 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.300 20.437 16.069 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.817 21.074 14.520 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.914 21.011 15.323 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.487 22.393 16.313 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.158 21.106 18.230 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.747 19.662 17.326 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.238 19.754 16.498 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.485 20.838 17.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.957 18.556 18.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.624 19.127 19.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.385 18.077 18.031 1.00 0.00 H new ATOM 409 N CYS A 25 12.589 22.744 15.575 1.00 0.00 N ATOM 410 CA CYS A 25 11.329 22.775 14.841 1.00 0.00 C ATOM 411 C CYS A 25 11.019 24.187 14.354 1.00 0.00 C ATOM 412 O CYS A 25 11.233 25.162 15.073 1.00 0.00 O ATOM 413 CB CYS A 25 10.189 22.265 15.723 1.00 0.00 C ATOM 414 SG CYS A 25 8.539 22.613 15.070 1.00 0.00 S ATOM 0 H CYS A 25 12.493 22.871 16.582 1.00 0.00 H new ATOM 0 HA CYS A 25 11.426 22.123 13.973 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.297 21.188 15.852 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.279 22.715 16.712 1.00 0.00 H new ATOM 0 HG CYS A 25 7.642 22.141 15.884 1.00 0.00 H new ATOM 420 N GLN A 26 10.516 24.287 13.128 1.00 0.00 N ATOM 421 CA GLN A 26 10.179 25.580 12.544 1.00 0.00 C ATOM 422 C GLN A 26 8.711 25.624 12.131 1.00 0.00 C ATOM 423 O GLN A 26 8.246 24.780 11.364 1.00 0.00 O ATOM 424 CB GLN A 26 11.070 25.865 11.334 1.00 0.00 C ATOM 425 CG GLN A 26 12.549 25.952 11.675 1.00 0.00 C ATOM 426 CD GLN A 26 13.418 26.166 10.452 1.00 0.00 C ATOM 427 OE1 GLN A 26 14.200 25.293 10.071 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.287 27.330 9.828 1.00 0.00 N ATOM 0 H GLN A 26 10.333 23.489 12.520 1.00 0.00 H new ATOM 0 HA GLN A 26 10.349 26.347 13.300 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.922 25.081 10.592 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.756 26.802 10.874 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.709 26.770 12.377 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.856 25.035 12.179 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.627 28.025 10.178 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.846 27.530 8.999 1.00 0.00 H new ATOM 437 N CYS A 27 7.987 26.613 12.644 1.00 0.00 N ATOM 438 CA CYS A 27 6.572 26.767 12.330 1.00 0.00 C ATOM 439 C CYS A 27 6.273 28.181 11.843 1.00 0.00 C ATOM 440 O CYS A 27 7.187 28.971 11.602 1.00 0.00 O ATOM 441 CB CYS A 27 5.717 26.447 13.557 1.00 0.00 C ATOM 442 SG CYS A 27 5.859 27.658 14.892 1.00 0.00 S ATOM 0 H CYS A 27 8.357 27.320 13.279 1.00 0.00 H new ATOM 0 HA CYS A 27 6.325 26.067 11.532 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.673 26.380 13.251 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.001 25.466 13.939 1.00 0.00 H new ATOM 0 HG CYS A 27 5.098 27.302 15.884 1.00 0.00 H new ATOM 448 N TRP A 28 4.991 28.493 11.698 1.00 0.00 N ATOM 449 CA TRP A 28 4.572 29.812 11.237 1.00 0.00 C ATOM 450 C TRP A 28 3.728 30.515 12.294 1.00 0.00 C ATOM 451 O TRP A 28 2.854 29.906 12.911 1.00 0.00 O ATOM 452 CB TRP A 28 3.783 29.693 9.933 1.00 0.00 C ATOM 453 CG TRP A 28 4.639 29.359 8.749 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.128 28.129 8.412 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.109 30.268 7.747 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.874 28.218 7.261 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.877 29.520 6.833 1.00 0.00 C ATOM 458 CE3 TRP A 28 4.955 31.640 7.532 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.487 30.100 5.724 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.562 32.214 6.432 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.319 31.445 5.539 1.00 0.00 C ATOM 0 H TRP A 28 4.223 27.851 11.893 1.00 0.00 H new ATOM 0 HA TRP A 28 5.467 30.408 11.058 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.019 28.924 10.048 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.264 30.633 9.744 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.954 27.220 8.968 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.348 27.441 6.800 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.372 32.241 8.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.072 29.509 5.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.451 33.274 6.257 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.779 31.924 4.687 1.00 0.00 H new ATOM 472 N VAL A 29 3.994 31.802 12.499 1.00 0.00 N ATOM 473 CA VAL A 29 3.257 32.588 13.481 1.00 0.00 C ATOM 474 C VAL A 29 2.475 33.712 12.810 1.00 0.00 C ATOM 475 O VAL A 29 2.908 34.265 11.800 1.00 0.00 O ATOM 476 CB VAL A 29 4.200 33.193 14.537 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.404 33.929 15.605 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.068 32.110 15.159 1.00 0.00 C ATOM 0 H VAL A 29 4.714 32.322 11.998 1.00 0.00 H new ATOM 0 HA VAL A 29 2.561 31.908 13.973 1.00 0.00 H new ATOM 0 HB VAL A 29 4.854 33.913 14.045 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.087 34.350 16.343 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.830 34.732 15.142 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.724 33.233 16.096 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.728 32.556 15.903 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.433 31.365 15.638 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.666 31.633 14.383 1.00 0.00 H new ATOM 488 N GLN A 30 1.321 34.044 13.380 1.00 0.00 N ATOM 489 CA GLN A 30 0.478 35.102 12.836 1.00 0.00 C ATOM 490 C GLN A 30 0.923 36.469 13.346 1.00 0.00 C ATOM 491 O GLN A 30 0.923 36.724 14.551 1.00 0.00 O ATOM 492 CB GLN A 30 -0.986 34.859 13.207 1.00 0.00 C ATOM 493 CG GLN A 30 -1.912 35.998 12.811 1.00 0.00 C ATOM 494 CD GLN A 30 -3.366 35.704 13.123 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.920 36.217 14.095 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.992 34.874 12.297 1.00 0.00 N ATOM 0 H GLN A 30 0.949 33.596 14.217 1.00 0.00 H new ATOM 0 HA GLN A 30 0.578 35.089 11.751 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.326 33.942 12.727 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.058 34.701 14.283 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.609 36.906 13.333 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.806 36.193 11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.493 34.472 11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.972 34.639 12.456 1.00 0.00 H new ATOM 505 N LYS A 31 1.303 37.345 12.422 1.00 0.00 N ATOM 506 CA LYS A 31 1.750 38.686 12.777 1.00 0.00 C ATOM 507 C LYS A 31 1.269 39.709 11.752 1.00 0.00 C ATOM 508 O LYS A 31 1.481 39.545 10.552 1.00 0.00 O ATOM 509 CB LYS A 31 3.277 38.728 12.876 1.00 0.00 C ATOM 510 CG LYS A 31 3.812 38.268 14.221 1.00 0.00 C ATOM 511 CD LYS A 31 3.502 39.274 15.318 1.00 0.00 C ATOM 512 CE LYS A 31 4.597 40.322 15.438 1.00 0.00 C ATOM 513 NZ LYS A 31 4.280 41.548 14.655 1.00 0.00 N ATOM 0 H LYS A 31 1.310 37.150 11.421 1.00 0.00 H new ATOM 0 HA LYS A 31 1.322 38.939 13.747 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.701 38.101 12.092 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.617 39.746 12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.375 37.303 14.477 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.890 38.122 14.154 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.551 39.763 15.107 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.389 38.754 16.269 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.733 40.586 16.487 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.541 39.903 15.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.781 42.362 15.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.582 41.418 13.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.255 41.722 14.683 1.00 0.00 H new ATOM 527 N ASN A 32 0.622 40.765 12.236 1.00 0.00 N ATOM 528 CA ASN A 32 0.112 41.815 11.362 1.00 0.00 C ATOM 529 C ASN A 32 -0.828 41.236 10.308 1.00 0.00 C ATOM 530 O ASN A 32 -0.676 41.498 9.115 1.00 0.00 O ATOM 531 CB ASN A 32 1.270 42.547 10.680 1.00 0.00 C ATOM 532 CG ASN A 32 0.864 43.913 10.161 1.00 0.00 C ATOM 533 OD1 ASN A 32 -0.101 44.509 10.638 1.00 0.00 O ATOM 534 ND2 ASN A 32 1.601 44.415 9.177 1.00 0.00 N ATOM 0 H ASN A 32 0.439 40.916 13.228 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.447 42.523 11.974 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.092 42.659 11.387 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.642 41.943 9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.375 45.330 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.393 43.886 8.812 1.00 0.00 H new ATOM 541 N ASP A 33 -1.800 40.450 10.759 1.00 0.00 N ATOM 542 CA ASP A 33 -2.767 39.836 9.856 1.00 0.00 C ATOM 543 C ASP A 33 -2.060 39.072 8.741 1.00 0.00 C ATOM 544 O ASP A 33 -2.589 38.934 7.639 1.00 0.00 O ATOM 545 CB ASP A 33 -3.686 40.901 9.258 1.00 0.00 C ATOM 546 CG ASP A 33 -4.721 41.397 10.250 1.00 0.00 C ATOM 547 OD1 ASP A 33 -4.361 42.215 11.122 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.889 40.966 10.154 1.00 0.00 O ATOM 0 H ASP A 33 -1.939 40.223 11.744 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.367 39.131 10.431 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.085 41.743 8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.192 40.491 8.384 1.00 0.00 H new ATOM 553 N GLU A 34 -0.861 38.579 9.036 1.00 0.00 N ATOM 554 CA GLU A 34 -0.081 37.831 8.057 1.00 0.00 C ATOM 555 C GLU A 34 0.617 36.642 8.711 1.00 0.00 C ATOM 556 O GLU A 34 0.555 36.466 9.927 1.00 0.00 O ATOM 557 CB GLU A 34 0.954 38.742 7.393 1.00 0.00 C ATOM 558 CG GLU A 34 0.386 39.585 6.263 1.00 0.00 C ATOM 559 CD GLU A 34 0.161 38.785 4.994 1.00 0.00 C ATOM 560 OE1 GLU A 34 0.325 37.548 5.035 1.00 0.00 O ATOM 561 OE2 GLU A 34 -0.179 39.397 3.960 1.00 0.00 O ATOM 0 H GLU A 34 -0.409 38.684 9.944 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.765 37.455 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.382 39.402 8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.768 38.130 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.558 40.025 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.067 40.410 6.052 1.00 0.00 H new ATOM 568 N GLU A 35 1.280 35.830 7.894 1.00 0.00 N ATOM 569 CA GLU A 35 1.989 34.657 8.393 1.00 0.00 C ATOM 570 C GLU A 35 3.486 34.770 8.122 1.00 0.00 C ATOM 571 O GLU A 35 3.908 34.977 6.984 1.00 0.00 O ATOM 572 CB GLU A 35 1.436 33.386 7.744 1.00 0.00 C ATOM 573 CG GLU A 35 0.092 32.952 8.304 1.00 0.00 C ATOM 574 CD GLU A 35 -1.076 33.572 7.563 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.125 33.446 6.322 1.00 0.00 O ATOM 576 OE2 GLU A 35 -1.941 34.184 8.224 1.00 0.00 O ATOM 0 H GLU A 35 1.341 35.962 6.884 1.00 0.00 H new ATOM 0 HA GLU A 35 1.836 34.602 9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.337 33.550 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.154 32.577 7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.015 31.866 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.036 33.226 9.357 1.00 0.00 H new ATOM 583 N ARG A 36 4.284 34.632 9.175 1.00 0.00 N ATOM 584 CA ARG A 36 5.734 34.721 9.052 1.00 0.00 C ATOM 585 C ARG A 36 6.403 33.456 9.584 1.00 0.00 C ATOM 586 O ARG A 36 6.004 32.917 10.617 1.00 0.00 O ATOM 587 CB ARG A 36 6.258 35.943 9.808 1.00 0.00 C ATOM 588 CG ARG A 36 6.092 37.248 9.046 1.00 0.00 C ATOM 589 CD ARG A 36 5.870 38.420 9.989 1.00 0.00 C ATOM 590 NE ARG A 36 7.012 38.635 10.873 1.00 0.00 N ATOM 591 CZ ARG A 36 7.093 39.641 11.736 1.00 0.00 C ATOM 592 NH1 ARG A 36 6.105 40.520 11.830 1.00 0.00 N ATOM 593 NH2 ARG A 36 8.165 39.770 12.508 1.00 0.00 N ATOM 0 H ARG A 36 3.951 34.458 10.123 1.00 0.00 H new ATOM 0 HA ARG A 36 5.978 34.824 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.737 36.020 10.762 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.314 35.795 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.978 37.431 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.248 37.166 8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.687 39.323 9.407 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.977 38.240 10.588 1.00 0.00 H new ATOM 0 HE ARG A 36 7.790 37.977 10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.280 40.425 11.238 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.170 41.292 12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.928 39.096 12.439 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.226 40.543 13.171 1.00 0.00 H new ATOM 607 N LEU A 37 7.420 32.987 8.870 1.00 0.00 N ATOM 608 CA LEU A 37 8.145 31.785 9.269 1.00 0.00 C ATOM 609 C LEU A 37 8.918 32.019 10.562 1.00 0.00 C ATOM 610 O LEU A 37 9.892 32.771 10.587 1.00 0.00 O ATOM 611 CB LEU A 37 9.104 31.352 8.159 1.00 0.00 C ATOM 612 CG LEU A 37 9.783 29.995 8.350 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.987 28.898 7.659 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.210 30.034 7.823 1.00 0.00 C ATOM 0 H LEU A 37 7.762 33.420 8.012 1.00 0.00 H new ATOM 0 HA LEU A 37 7.417 30.992 9.441 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.554 31.331 7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.878 32.112 8.058 1.00 0.00 H new ATOM 0 HG LEU A 37 9.817 29.774 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.485 27.940 7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.984 28.854 8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.921 29.113 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.678 29.060 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.199 30.278 6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.777 30.792 8.363 1.00 0.00 H new ATOM 626 N ALA A 38 8.479 31.369 11.635 1.00 0.00 N ATOM 627 CA ALA A 38 9.133 31.503 12.931 1.00 0.00 C ATOM 628 C ALA A 38 9.826 30.206 13.333 1.00 0.00 C ATOM 629 O ALA A 38 9.231 29.131 13.277 1.00 0.00 O ATOM 630 CB ALA A 38 8.122 31.914 13.991 1.00 0.00 C ATOM 0 H ALA A 38 7.673 30.744 11.632 1.00 0.00 H new ATOM 0 HA ALA A 38 9.893 32.280 12.849 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.623 32.011 14.954 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.676 32.870 13.717 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.342 31.156 14.063 1.00 0.00 H new ATOM 636 N GLU A 39 11.088 30.316 13.737 1.00 0.00 N ATOM 637 CA GLU A 39 11.863 29.150 14.146 1.00 0.00 C ATOM 638 C GLU A 39 11.904 29.032 15.667 1.00 0.00 C ATOM 639 O GLU A 39 12.257 29.983 16.364 1.00 0.00 O ATOM 640 CB GLU A 39 13.286 29.235 13.591 1.00 0.00 C ATOM 641 CG GLU A 39 14.221 28.174 14.148 1.00 0.00 C ATOM 642 CD GLU A 39 15.559 28.144 13.436 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.122 29.231 13.187 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.043 27.035 13.128 1.00 0.00 O ATOM 0 H GLU A 39 11.595 31.200 13.790 1.00 0.00 H new ATOM 0 HA GLU A 39 11.377 28.262 13.742 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.250 29.142 12.506 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.695 30.221 13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.383 28.359 15.210 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.747 27.196 14.063 1.00 0.00 H new ATOM 651 N ILE A 40 11.541 27.858 16.173 1.00 0.00 N ATOM 652 CA ILE A 40 11.537 27.615 17.610 1.00 0.00 C ATOM 653 C ILE A 40 12.945 27.713 18.188 1.00 0.00 C ATOM 654 O ILE A 40 13.916 27.284 17.563 1.00 0.00 O ATOM 655 CB ILE A 40 10.952 26.231 17.946 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.563 26.075 17.323 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.887 26.034 19.453 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.527 27.003 17.917 1.00 0.00 C ATOM 0 H ILE A 40 11.246 27.061 15.609 1.00 0.00 H new ATOM 0 HA ILE A 40 10.908 28.384 18.058 1.00 0.00 H new ATOM 0 HB ILE A 40 11.606 25.466 17.527 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.632 26.259 16.251 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.231 25.045 17.449 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.471 25.051 19.674 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.890 26.106 19.873 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.253 26.803 19.894 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.567 26.837 17.428 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.430 26.804 18.984 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.837 28.037 17.768 1.00 0.00 H new ATOM 670 N LEU A 41 13.049 28.278 19.386 1.00 0.00 N ATOM 671 CA LEU A 41 14.339 28.430 20.050 1.00 0.00 C ATOM 672 C LEU A 41 14.366 27.664 21.369 1.00 0.00 C ATOM 673 O LEU A 41 15.384 27.077 21.737 1.00 0.00 O ATOM 674 CB LEU A 41 14.634 29.910 20.301 1.00 0.00 C ATOM 675 CG LEU A 41 15.027 30.734 19.074 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.303 32.177 19.466 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.240 30.123 18.389 1.00 0.00 C ATOM 0 H LEU A 41 12.256 28.638 19.917 1.00 0.00 H new ATOM 0 HA LEU A 41 15.107 28.018 19.396 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.752 30.364 20.751 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.438 29.980 21.034 1.00 0.00 H new ATOM 0 HG LEU A 41 14.194 30.724 18.371 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.581 32.748 18.580 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.407 32.611 19.911 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.119 32.208 20.188 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.506 30.722 17.518 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.079 30.102 19.085 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.006 29.107 18.073 1.00 0.00 H new ATOM 689 N SER A 42 13.240 27.672 22.075 1.00 0.00 N ATOM 690 CA SER A 42 13.135 26.978 23.354 1.00 0.00 C ATOM 691 C SER A 42 11.675 26.711 23.708 1.00 0.00 C ATOM 692 O SER A 42 10.764 27.224 23.059 1.00 0.00 O ATOM 693 CB SER A 42 13.797 27.802 24.460 1.00 0.00 C ATOM 694 OG SER A 42 14.670 27.001 25.239 1.00 0.00 O ATOM 0 H SER A 42 12.388 28.151 21.784 1.00 0.00 H new ATOM 0 HA SER A 42 13.650 26.022 23.265 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.354 28.629 24.019 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.031 28.239 25.100 1.00 0.00 H new ATOM 0 HG SER A 42 15.082 27.551 25.938 1.00 0.00 H new ATOM 700 N ILE A 43 11.463 25.904 24.742 1.00 0.00 N ATOM 701 CA ILE A 43 10.115 25.568 25.184 1.00 0.00 C ATOM 702 C ILE A 43 9.951 25.810 26.681 1.00 0.00 C ATOM 703 O ILE A 43 10.851 25.523 27.468 1.00 0.00 O ATOM 704 CB ILE A 43 9.769 24.100 24.871 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.932 23.822 23.376 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.351 23.782 25.323 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.958 22.349 23.034 1.00 0.00 C ATOM 0 H ILE A 43 12.207 25.471 25.289 1.00 0.00 H new ATOM 0 HA ILE A 43 9.432 26.218 24.637 1.00 0.00 H new ATOM 0 HB ILE A 43 10.457 23.456 25.418 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.114 24.298 22.835 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.856 24.284 23.028 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.121 22.741 25.095 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.266 23.945 26.397 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.648 24.431 24.801 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.076 22.228 21.957 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.793 21.871 23.547 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.024 21.885 23.351 1.00 0.00 H new ATOM 719 N ASN A 44 8.794 26.339 27.066 1.00 0.00 N ATOM 720 CA ASN A 44 8.510 26.618 28.469 1.00 0.00 C ATOM 721 C ASN A 44 7.143 26.071 28.867 1.00 0.00 C ATOM 722 O ASN A 44 6.111 26.683 28.589 1.00 0.00 O ATOM 723 CB ASN A 44 8.566 28.124 28.732 1.00 0.00 C ATOM 724 CG ASN A 44 8.315 28.467 30.187 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.850 27.821 31.089 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.498 29.487 30.423 1.00 0.00 N ATOM 0 H ASN A 44 8.038 26.583 26.426 1.00 0.00 H new ATOM 0 HA ASN A 44 9.269 26.122 29.073 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.543 28.506 28.435 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.825 28.626 28.110 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.292 29.764 31.383 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.077 29.994 29.644 1.00 0.00 H new ATOM 733 N THR A 45 7.142 24.914 29.521 1.00 0.00 N ATOM 734 CA THR A 45 5.903 24.284 29.958 1.00 0.00 C ATOM 735 C THR A 45 5.640 24.552 31.435 1.00 0.00 C ATOM 736 O THR A 45 5.639 23.631 32.253 1.00 0.00 O ATOM 737 CB THR A 45 5.933 22.762 29.722 1.00 0.00 C ATOM 738 OG1 THR A 45 7.049 22.182 30.406 1.00 0.00 O ATOM 739 CG2 THR A 45 6.023 22.446 28.237 1.00 0.00 C ATOM 0 H THR A 45 7.986 24.394 29.760 1.00 0.00 H new ATOM 0 HA THR A 45 5.100 24.721 29.364 1.00 0.00 H new ATOM 0 HB THR A 45 5.008 22.338 30.112 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.952 22.326 31.371 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.043 21.365 28.096 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.157 22.863 27.723 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.934 22.882 27.827 1.00 0.00 H new ATOM 747 N ARG A 46 5.417 25.818 31.771 1.00 0.00 N ATOM 748 CA ARG A 46 5.154 26.208 33.152 1.00 0.00 C ATOM 749 C ARG A 46 3.781 26.862 33.279 1.00 0.00 C ATOM 750 O ARG A 46 3.445 27.428 34.320 1.00 0.00 O ATOM 751 CB ARG A 46 6.237 27.167 33.649 1.00 0.00 C ATOM 752 CG ARG A 46 7.614 26.532 33.749 1.00 0.00 C ATOM 753 CD ARG A 46 7.868 25.968 35.138 1.00 0.00 C ATOM 754 NE ARG A 46 7.311 24.627 35.295 1.00 0.00 N ATOM 755 CZ ARG A 46 7.442 23.901 36.400 1.00 0.00 C ATOM 756 NH1 ARG A 46 8.106 24.386 37.440 1.00 0.00 N ATOM 757 NH2 ARG A 46 6.906 22.689 36.466 1.00 0.00 N ATOM 0 H ARG A 46 5.413 26.592 31.106 1.00 0.00 H new ATOM 0 HA ARG A 46 5.167 25.308 33.767 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.289 28.023 32.976 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.950 27.549 34.629 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.703 25.736 33.010 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.376 27.274 33.512 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.941 25.939 35.327 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.431 26.632 35.884 1.00 0.00 H new ATOM 0 HE ARG A 46 6.793 24.226 34.513 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.517 25.318 37.393 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.205 23.827 38.287 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.393 22.314 35.668 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.007 22.132 37.315 1.00 0.00 H new ATOM 771 N LYS A 47 2.992 26.782 32.213 1.00 0.00 N ATOM 772 CA LYS A 47 1.656 27.365 32.205 1.00 0.00 C ATOM 773 C LYS A 47 0.667 26.451 31.487 1.00 0.00 C ATOM 774 O LYS A 47 1.046 25.407 30.958 1.00 0.00 O ATOM 775 CB LYS A 47 1.680 28.738 31.529 1.00 0.00 C ATOM 776 CG LYS A 47 0.689 29.725 32.120 1.00 0.00 C ATOM 777 CD LYS A 47 1.161 31.159 31.949 1.00 0.00 C ATOM 778 CE LYS A 47 0.325 32.124 32.777 1.00 0.00 C ATOM 779 NZ LYS A 47 1.026 33.419 32.995 1.00 0.00 N ATOM 0 H LYS A 47 3.255 26.319 31.343 1.00 0.00 H new ATOM 0 HA LYS A 47 1.332 27.481 33.239 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.684 29.154 31.607 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.467 28.614 30.467 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.281 29.600 31.639 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.549 29.511 33.180 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.207 31.236 32.245 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.106 31.438 30.897 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.625 32.305 32.274 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.094 31.670 33.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.424 34.048 33.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.920 33.249 33.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.224 33.865 32.077 1.00 0.00 H new ATOM 793 N ALA A 48 -0.599 26.853 31.472 1.00 0.00 N ATOM 794 CA ALA A 48 -1.641 26.071 30.817 1.00 0.00 C ATOM 795 C ALA A 48 -2.623 26.975 30.079 1.00 0.00 C ATOM 796 O ALA A 48 -3.475 27.629 30.681 1.00 0.00 O ATOM 797 CB ALA A 48 -2.375 25.211 31.834 1.00 0.00 C ATOM 0 H ALA A 48 -0.928 27.715 31.906 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.165 25.420 30.084 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.150 24.633 31.330 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.670 24.532 32.313 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.833 25.851 32.589 1.00 0.00 H new ATOM 803 N PRO A 49 -2.502 27.016 28.744 1.00 0.00 N ATOM 804 CA PRO A 49 -1.491 26.243 28.016 1.00 0.00 C ATOM 805 C PRO A 49 -0.079 26.764 28.257 1.00 0.00 C ATOM 806 O PRO A 49 0.123 27.868 28.763 1.00 0.00 O ATOM 807 CB PRO A 49 -1.888 26.431 26.550 1.00 0.00 C ATOM 808 CG PRO A 49 -2.630 27.723 26.521 1.00 0.00 C ATOM 809 CD PRO A 49 -3.344 27.820 27.841 1.00 0.00 C ATOM 0 HA PRO A 49 -1.467 25.201 28.335 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.011 26.464 25.903 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.512 25.608 26.200 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.948 28.562 26.384 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.337 27.748 25.692 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.424 28.853 28.180 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.358 27.425 27.779 1.00 0.00 H new ATOM 817 N PRO A 50 0.923 25.953 27.887 1.00 0.00 N ATOM 818 CA PRO A 50 2.335 26.312 28.053 1.00 0.00 C ATOM 819 C PRO A 50 2.763 27.432 27.110 1.00 0.00 C ATOM 820 O PRO A 50 1.955 27.952 26.340 1.00 0.00 O ATOM 821 CB PRO A 50 3.073 25.015 27.712 1.00 0.00 C ATOM 822 CG PRO A 50 2.143 24.274 26.815 1.00 0.00 C ATOM 823 CD PRO A 50 0.755 24.623 27.278 1.00 0.00 C ATOM 0 HA PRO A 50 2.545 26.688 29.054 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.022 25.218 27.217 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.299 24.440 28.610 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.291 24.563 25.774 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.316 23.199 26.875 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.049 24.647 26.448 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.377 23.897 27.997 1.00 0.00 H new ATOM 831 N LYS A 51 4.038 27.799 27.175 1.00 0.00 N ATOM 832 CA LYS A 51 4.575 28.856 26.327 1.00 0.00 C ATOM 833 C LYS A 51 5.745 28.343 25.494 1.00 0.00 C ATOM 834 O LYS A 51 6.379 27.347 25.842 1.00 0.00 O ATOM 835 CB LYS A 51 5.024 30.044 27.180 1.00 0.00 C ATOM 836 CG LYS A 51 3.892 30.985 27.556 1.00 0.00 C ATOM 837 CD LYS A 51 4.413 32.236 28.244 1.00 0.00 C ATOM 838 CE LYS A 51 3.492 33.424 28.011 1.00 0.00 C ATOM 839 NZ LYS A 51 3.674 34.009 26.654 1.00 0.00 N ATOM 0 H LYS A 51 4.720 27.379 27.807 1.00 0.00 H new ATOM 0 HA LYS A 51 3.785 29.181 25.650 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.492 29.670 28.091 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.785 30.604 26.637 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.338 31.265 26.660 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.193 30.470 28.215 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.507 32.052 29.314 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.411 32.469 27.872 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.456 33.110 28.135 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.686 34.187 28.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.029 34.816 26.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.656 34.332 26.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.464 33.288 25.934 1.00 0.00 H new ATOM 853 N PHE A 52 6.027 29.031 24.392 1.00 0.00 N ATOM 854 CA PHE A 52 7.122 28.645 23.510 1.00 0.00 C ATOM 855 C PHE A 52 7.874 29.874 23.007 1.00 0.00 C ATOM 856 O PHE A 52 7.291 30.944 22.832 1.00 0.00 O ATOM 857 CB PHE A 52 6.590 27.838 22.324 1.00 0.00 C ATOM 858 CG PHE A 52 5.844 26.599 22.728 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.537 26.677 23.179 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.452 25.355 22.658 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.848 25.538 23.552 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.768 24.213 23.029 1.00 0.00 C ATOM 863 CZ PHE A 52 4.465 24.305 23.478 1.00 0.00 C ATOM 0 H PHE A 52 5.513 29.858 24.089 1.00 0.00 H new ATOM 0 HA PHE A 52 7.814 28.025 24.081 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.931 28.472 21.730 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.425 27.557 21.683 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.050 27.639 23.240 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.471 25.278 22.310 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.829 25.613 23.901 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.252 23.249 22.968 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.930 23.414 23.771 1.00 0.00 H new ATOM 873 N TYR A 53 9.173 29.712 22.777 1.00 0.00 N ATOM 874 CA TYR A 53 10.006 30.808 22.297 1.00 0.00 C ATOM 875 C TYR A 53 10.228 30.705 20.791 1.00 0.00 C ATOM 876 O TYR A 53 10.850 29.760 20.306 1.00 0.00 O ATOM 877 CB TYR A 53 11.353 30.808 23.023 1.00 0.00 C ATOM 878 CG TYR A 53 12.017 32.166 23.066 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.311 33.294 23.467 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.350 32.321 22.706 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.913 34.536 23.507 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.961 33.559 22.745 1.00 0.00 C ATOM 883 CZ TYR A 53 13.238 34.664 23.146 1.00 0.00 C ATOM 884 OH TYR A 53 13.843 35.900 23.185 1.00 0.00 O ATOM 0 H TYR A 53 9.671 28.833 22.915 1.00 0.00 H new ATOM 0 HA TYR A 53 9.487 31.743 22.506 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.207 30.452 24.043 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.021 30.101 22.531 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.274 33.197 23.752 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.918 31.459 22.390 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.349 35.403 23.819 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.999 33.662 22.463 1.00 0.00 H new ATOM 0 HH TYR A 53 14.721 35.848 22.753 1.00 0.00 H new ATOM 894 N VAL A 54 9.714 31.686 20.055 1.00 0.00 N ATOM 895 CA VAL A 54 9.856 31.708 18.605 1.00 0.00 C ATOM 896 C VAL A 54 10.761 32.851 18.159 1.00 0.00 C ATOM 897 O VAL A 54 10.891 33.861 18.851 1.00 0.00 O ATOM 898 CB VAL A 54 8.489 31.849 17.909 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.693 30.559 18.030 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.714 33.021 18.491 1.00 0.00 C ATOM 0 H VAL A 54 9.196 32.476 20.440 1.00 0.00 H new ATOM 0 HA VAL A 54 10.306 30.758 18.317 1.00 0.00 H new ATOM 0 HB VAL A 54 8.658 32.045 16.850 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.730 30.677 17.533 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.246 29.745 17.561 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.531 30.329 19.083 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.751 33.106 17.988 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.554 32.858 19.557 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.281 33.940 18.346 1.00 0.00 H new ATOM 910 N HIS A 55 11.385 32.686 16.997 1.00 0.00 N ATOM 911 CA HIS A 55 12.278 33.705 16.457 1.00 0.00 C ATOM 912 C HIS A 55 12.054 33.885 14.958 1.00 0.00 C ATOM 913 O HIS A 55 12.090 32.920 14.195 1.00 0.00 O ATOM 914 CB HIS A 55 13.736 33.329 16.724 1.00 0.00 C ATOM 915 CG HIS A 55 14.708 34.009 15.809 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.613 35.341 15.467 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.799 33.533 15.165 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.604 35.655 14.651 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.338 34.575 14.452 1.00 0.00 N ATOM 0 H HIS A 55 11.289 31.856 16.411 1.00 0.00 H new ATOM 0 HA HIS A 55 12.056 34.648 16.956 1.00 0.00 H new ATOM 0 HB2 HIS A 55 13.984 33.580 17.755 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.849 32.250 16.623 1.00 0.00 H new ATOM 0 HD1 HIS A 55 13.891 35.984 15.793 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.176 32.522 15.205 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.783 36.629 14.220 1.00 0.00 H new ATOM 927 N TYR A 56 11.823 35.126 14.545 1.00 0.00 N ATOM 928 CA TYR A 56 11.589 35.432 13.139 1.00 0.00 C ATOM 929 C TYR A 56 12.893 35.389 12.348 1.00 0.00 C ATOM 930 O TYR A 56 13.738 36.275 12.473 1.00 0.00 O ATOM 931 CB TYR A 56 10.938 36.809 12.996 1.00 0.00 C ATOM 932 CG TYR A 56 9.652 36.954 13.778 1.00 0.00 C ATOM 933 CD1 TYR A 56 9.663 37.390 15.097 1.00 0.00 C ATOM 934 CD2 TYR A 56 8.425 36.657 13.196 1.00 0.00 C ATOM 935 CE1 TYR A 56 8.491 37.523 15.815 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.248 36.790 13.906 1.00 0.00 C ATOM 937 CZ TYR A 56 7.285 37.222 15.215 1.00 0.00 C ATOM 938 OH TYR A 56 6.115 37.356 15.927 1.00 0.00 O ATOM 0 H TYR A 56 11.793 35.936 15.164 1.00 0.00 H new ATOM 0 HA TYR A 56 10.915 34.676 12.736 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.643 37.571 13.327 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.736 36.999 11.942 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.605 37.629 15.569 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.392 36.317 12.172 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.518 37.861 16.840 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.303 36.557 13.438 1.00 0.00 H new ATOM 0 HH TYR A 56 6.216 38.070 16.591 1.00 0.00 H new ATOM 948 N VAL A 57 13.049 34.351 11.532 1.00 0.00 N ATOM 949 CA VAL A 57 14.248 34.192 10.719 1.00 0.00 C ATOM 950 C VAL A 57 14.418 35.361 9.755 1.00 0.00 C ATOM 951 O VAL A 57 15.536 35.707 9.374 1.00 0.00 O ATOM 952 CB VAL A 57 14.211 32.879 9.914 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.535 32.650 9.203 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.875 31.707 10.824 1.00 0.00 C ATOM 0 H VAL A 57 12.360 33.608 11.417 1.00 0.00 H new ATOM 0 HA VAL A 57 15.094 34.165 11.406 1.00 0.00 H new ATOM 0 HB VAL A 57 13.430 32.959 9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.489 31.718 8.640 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.729 33.477 8.520 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.337 32.591 9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.853 30.787 10.240 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.632 31.623 11.604 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.899 31.870 11.281 1.00 0.00 H new ATOM 964 N ASN A 58 13.301 35.966 9.364 1.00 0.00 N ATOM 965 CA ASN A 58 13.326 37.097 8.444 1.00 0.00 C ATOM 966 C ASN A 58 13.927 38.329 9.113 1.00 0.00 C ATOM 967 O ASN A 58 14.404 39.244 8.440 1.00 0.00 O ATOM 968 CB ASN A 58 11.912 37.410 7.949 1.00 0.00 C ATOM 969 CG ASN A 58 11.896 37.883 6.508 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.340 38.936 6.195 1.00 0.00 O ATOM 971 ND2 ASN A 58 12.506 37.103 5.623 1.00 0.00 N ATOM 0 H ASN A 58 12.367 35.692 9.670 1.00 0.00 H new ATOM 0 HA ASN A 58 13.950 36.827 7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.291 36.519 8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.468 38.176 8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.527 37.368 4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.954 36.239 5.928 1.00 0.00 H new ATOM 978 N TYR A 59 13.901 38.347 10.441 1.00 0.00 N ATOM 979 CA TYR A 59 14.441 39.467 11.202 1.00 0.00 C ATOM 980 C TYR A 59 15.572 39.008 12.118 1.00 0.00 C ATOM 981 O TYR A 59 16.005 37.859 12.060 1.00 0.00 O ATOM 982 CB TYR A 59 13.338 40.130 12.027 1.00 0.00 C ATOM 983 CG TYR A 59 12.191 40.656 11.194 1.00 0.00 C ATOM 984 CD1 TYR A 59 11.128 39.833 10.842 1.00 0.00 C ATOM 985 CD2 TYR A 59 12.171 41.974 10.756 1.00 0.00 C ATOM 986 CE1 TYR A 59 10.078 40.308 10.080 1.00 0.00 C ATOM 987 CE2 TYR A 59 11.125 42.459 9.995 1.00 0.00 C ATOM 988 CZ TYR A 59 10.081 41.622 9.659 1.00 0.00 C ATOM 989 OH TYR A 59 9.038 42.100 8.900 1.00 0.00 O ATOM 0 H TYR A 59 13.511 37.598 11.013 1.00 0.00 H new ATOM 0 HA TYR A 59 14.842 40.194 10.495 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.952 39.409 12.748 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.768 40.953 12.598 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.123 38.804 11.170 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.988 42.631 11.015 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.260 39.655 9.815 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.125 43.487 9.665 1.00 0.00 H new ATOM 0 HH TYR A 59 9.194 43.044 8.688 1.00 0.00 H new ATOM 999 N ASN A 60 16.043 39.917 12.966 1.00 0.00 N ATOM 1000 CA ASN A 60 17.123 39.608 13.896 1.00 0.00 C ATOM 1001 C ASN A 60 16.601 38.819 15.093 1.00 0.00 C ATOM 1002 O ASN A 60 15.392 38.653 15.262 1.00 0.00 O ATOM 1003 CB ASN A 60 17.797 40.895 14.374 1.00 0.00 C ATOM 1004 CG ASN A 60 18.827 41.410 13.387 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.958 40.927 13.344 1.00 0.00 O ATOM 1006 ND2 ASN A 60 18.438 42.396 12.587 1.00 0.00 N ATOM 0 H ASN A 60 15.694 40.873 13.028 1.00 0.00 H new ATOM 0 HA ASN A 60 17.856 38.996 13.371 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.038 41.661 14.536 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.278 40.715 15.335 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.087 42.783 11.902 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.490 42.766 12.657 1.00 0.00 H new ATOM 1013 N LYS A 61 17.519 38.335 15.922 1.00 0.00 N ATOM 1014 CA LYS A 61 17.153 37.565 17.105 1.00 0.00 C ATOM 1015 C LYS A 61 16.536 38.465 18.170 1.00 0.00 C ATOM 1016 O LYS A 61 16.003 37.984 19.170 1.00 0.00 O ATOM 1017 CB LYS A 61 18.381 36.851 17.674 1.00 0.00 C ATOM 1018 CG LYS A 61 18.849 35.679 16.829 1.00 0.00 C ATOM 1019 CD LYS A 61 19.621 36.145 15.607 1.00 0.00 C ATOM 1020 CE LYS A 61 20.488 35.033 15.037 1.00 0.00 C ATOM 1021 NZ LYS A 61 19.671 33.891 14.541 1.00 0.00 N ATOM 0 H LYS A 61 18.523 38.462 15.796 1.00 0.00 H new ATOM 0 HA LYS A 61 16.413 36.821 16.809 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.196 37.568 17.769 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.151 36.495 18.678 1.00 0.00 H new ATOM 0 HG2 LYS A 61 19.479 35.024 17.431 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.988 35.090 16.513 1.00 0.00 H new ATOM 0 HD2 LYS A 61 18.923 36.490 14.844 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.248 36.996 15.874 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.094 35.427 14.221 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.177 34.680 15.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.804 33.071 15.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.667 34.161 14.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 19.971 33.642 13.577 1.00 0.00 H new ATOM 1035 N ARG A 62 16.611 39.774 17.949 1.00 0.00 N ATOM 1036 CA ARG A 62 16.060 40.741 18.890 1.00 0.00 C ATOM 1037 C ARG A 62 14.548 40.863 18.721 1.00 0.00 C ATOM 1038 O ARG A 62 13.891 41.616 19.441 1.00 0.00 O ATOM 1039 CB ARG A 62 16.718 42.108 18.694 1.00 0.00 C ATOM 1040 CG ARG A 62 16.517 42.687 17.303 1.00 0.00 C ATOM 1041 CD ARG A 62 17.728 43.489 16.854 1.00 0.00 C ATOM 1042 NE ARG A 62 18.044 44.570 17.784 1.00 0.00 N ATOM 1043 CZ ARG A 62 18.986 45.480 17.561 1.00 0.00 C ATOM 1044 NH1 ARG A 62 19.700 45.439 16.445 1.00 0.00 N ATOM 1045 NH2 ARG A 62 19.215 46.433 18.455 1.00 0.00 N ATOM 0 H ARG A 62 17.048 40.189 17.126 1.00 0.00 H new ATOM 0 HA ARG A 62 16.268 40.387 19.900 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.316 42.804 19.430 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.786 42.019 18.890 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.331 41.880 16.595 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.634 43.326 17.298 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.588 42.826 16.763 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.540 43.905 15.864 1.00 0.00 H new ATOM 0 HE ARG A 62 17.512 44.630 18.652 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.527 44.708 15.755 1.00 0.00 H new ATOM 0 HH12 ARG A 62 20.423 46.139 16.276 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.668 46.468 19.315 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.939 47.131 18.282 1.00 0.00 H new ATOM 1059 N LEU A 63 14.003 40.120 17.765 1.00 0.00 N ATOM 1060 CA LEU A 63 12.569 40.145 17.500 1.00 0.00 C ATOM 1061 C LEU A 63 11.875 38.949 18.143 1.00 0.00 C ATOM 1062 O LEU A 63 10.670 38.977 18.393 1.00 0.00 O ATOM 1063 CB LEU A 63 12.308 40.150 15.992 1.00 0.00 C ATOM 1064 CG LEU A 63 11.539 41.354 15.448 1.00 0.00 C ATOM 1065 CD1 LEU A 63 12.454 42.564 15.332 1.00 0.00 C ATOM 1066 CD2 LEU A 63 10.915 41.023 14.100 1.00 0.00 C ATOM 0 H LEU A 63 14.532 39.492 17.160 1.00 0.00 H new ATOM 0 HA LEU A 63 12.161 41.057 17.936 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.267 40.094 15.477 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.756 39.246 15.736 1.00 0.00 H new ATOM 0 HG LEU A 63 10.738 41.596 16.147 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.889 43.411 14.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.853 42.814 16.315 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.276 42.335 14.655 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.371 41.891 13.728 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.699 40.755 13.392 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.227 40.185 14.214 1.00 0.00 H new ATOM 1078 N ASP A 64 12.644 37.899 18.411 1.00 0.00 N ATOM 1079 CA ASP A 64 12.105 36.694 19.029 1.00 0.00 C ATOM 1080 C ASP A 64 11.316 37.035 20.289 1.00 0.00 C ATOM 1081 O ASP A 64 11.500 38.100 20.878 1.00 0.00 O ATOM 1082 CB ASP A 64 13.234 35.719 19.367 1.00 0.00 C ATOM 1083 CG ASP A 64 14.174 36.266 20.423 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.036 37.455 20.782 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.047 35.506 20.891 1.00 0.00 O ATOM 0 H ASP A 64 13.643 37.859 18.210 1.00 0.00 H new ATOM 0 HA ASP A 64 11.429 36.222 18.316 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.806 34.779 19.717 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.799 35.495 18.463 1.00 0.00 H new ATOM 1090 N GLU A 65 10.437 36.124 20.696 1.00 0.00 N ATOM 1091 CA GLU A 65 9.619 36.331 21.886 1.00 0.00 C ATOM 1092 C GLU A 65 8.929 35.036 22.303 1.00 0.00 C ATOM 1093 O GLU A 65 9.088 34.000 21.658 1.00 0.00 O ATOM 1094 CB GLU A 65 8.574 37.419 21.630 1.00 0.00 C ATOM 1095 CG GLU A 65 7.780 37.213 20.351 1.00 0.00 C ATOM 1096 CD GLU A 65 6.929 38.415 19.993 1.00 0.00 C ATOM 1097 OE1 GLU A 65 7.481 39.534 19.927 1.00 0.00 O ATOM 1098 OE2 GLU A 65 5.712 38.238 19.777 1.00 0.00 O ATOM 0 H GLU A 65 10.273 35.237 20.220 1.00 0.00 H new ATOM 0 HA GLU A 65 10.275 36.650 22.696 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.885 37.454 22.474 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.073 38.387 21.586 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.467 37.002 19.531 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.139 36.339 20.463 1.00 0.00 H new ATOM 1105 N TRP A 66 8.165 35.103 23.387 1.00 0.00 N ATOM 1106 CA TRP A 66 7.451 33.936 23.892 1.00 0.00 C ATOM 1107 C TRP A 66 5.985 33.972 23.475 1.00 0.00 C ATOM 1108 O TRP A 66 5.203 34.771 23.991 1.00 0.00 O ATOM 1109 CB TRP A 66 7.559 33.866 25.416 1.00 0.00 C ATOM 1110 CG TRP A 66 8.973 33.807 25.910 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.817 34.862 26.105 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.707 32.631 26.268 1.00 0.00 C ATOM 1113 NE1 TRP A 66 11.033 34.413 26.563 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.990 33.049 26.672 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.405 31.267 26.289 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.967 32.150 27.091 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.376 30.376 26.704 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.644 30.820 27.101 1.00 0.00 C ATOM 0 H TRP A 66 8.024 35.953 23.933 1.00 0.00 H new ATOM 0 HA TRP A 66 7.910 33.046 23.461 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.067 34.737 25.848 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.021 32.987 25.771 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.566 35.897 25.926 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.837 35.001 26.785 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.430 30.915 25.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.945 32.490 27.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 10.154 29.319 26.723 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.381 30.099 27.421 1.00 0.00 H new ATOM 1129 N ILE A 67 5.618 33.102 22.540 1.00 0.00 N ATOM 1130 CA ILE A 67 4.245 33.034 22.056 1.00 0.00 C ATOM 1131 C ILE A 67 3.509 31.841 22.656 1.00 0.00 C ATOM 1132 O ILE A 67 4.125 30.933 23.214 1.00 0.00 O ATOM 1133 CB ILE A 67 4.194 32.936 20.520 1.00 0.00 C ATOM 1134 CG1 ILE A 67 4.928 31.681 20.043 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.798 34.181 19.889 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.632 31.318 18.604 1.00 0.00 C ATOM 0 H ILE A 67 6.253 32.434 22.102 1.00 0.00 H new ATOM 0 HA ILE A 67 3.754 33.955 22.369 1.00 0.00 H new ATOM 0 HB ILE A 67 3.152 32.865 20.210 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.001 31.832 20.158 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.654 30.844 20.684 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.754 34.096 18.803 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.236 35.059 20.207 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.837 34.281 20.204 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.186 30.419 18.334 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.564 31.135 18.487 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.933 32.139 17.953 1.00 0.00 H new ATOM 1148 N THR A 68 2.185 31.848 22.535 1.00 0.00 N ATOM 1149 CA THR A 68 1.364 30.766 23.064 1.00 0.00 C ATOM 1150 C THR A 68 0.792 29.910 21.939 1.00 0.00 C ATOM 1151 O THR A 68 0.963 30.220 20.760 1.00 0.00 O ATOM 1152 CB THR A 68 0.205 31.308 23.921 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.197 32.597 23.444 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.614 31.408 25.383 1.00 0.00 C ATOM 0 H THR A 68 1.659 32.591 22.075 1.00 0.00 H new ATOM 0 HA THR A 68 2.013 30.153 23.690 1.00 0.00 H new ATOM 0 HB THR A 68 -0.632 30.614 23.840 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.935 32.933 23.993 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.221 31.793 25.969 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.891 30.420 25.752 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.465 32.082 25.477 1.00 0.00 H new ATOM 1162 N THR A 69 0.110 28.831 22.312 1.00 0.00 N ATOM 1163 CA THR A 69 -0.487 27.929 21.334 1.00 0.00 C ATOM 1164 C THR A 69 -1.404 28.684 20.379 1.00 0.00 C ATOM 1165 O THR A 69 -1.370 28.465 19.168 1.00 0.00 O ATOM 1166 CB THR A 69 -1.291 26.809 22.021 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.407 27.367 22.723 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.414 26.030 22.990 1.00 0.00 C ATOM 0 H THR A 69 -0.043 28.561 23.284 1.00 0.00 H new ATOM 0 HA THR A 69 0.334 27.485 20.771 1.00 0.00 H new ATOM 0 HB THR A 69 -1.651 26.126 21.252 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.914 26.648 23.155 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.003 25.245 23.463 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.419 25.582 22.448 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.028 26.705 23.754 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.222 29.573 20.930 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.148 30.363 20.125 1.00 0.00 C ATOM 1178 C ASP A 70 -2.391 31.292 19.182 1.00 0.00 C ATOM 1179 O ASP A 70 -2.966 31.840 18.241 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.076 31.177 21.028 1.00 0.00 C ATOM 1181 CG ASP A 70 -4.869 30.304 21.981 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.290 29.203 21.567 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -5.068 30.721 23.141 1.00 0.00 O ATOM 0 H ASP A 70 -2.263 29.765 21.931 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.747 29.677 19.526 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.485 31.892 21.601 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.764 31.754 20.411 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.099 31.466 19.441 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.265 32.332 18.616 1.00 0.00 C ATOM 1190 C ARG A 71 0.544 31.513 17.614 1.00 0.00 C ATOM 1191 O ARG A 71 1.482 32.019 16.998 1.00 0.00 O ATOM 1192 CB ARG A 71 0.677 33.156 19.496 1.00 0.00 C ATOM 1193 CG ARG A 71 -0.035 34.204 20.336 1.00 0.00 C ATOM 1194 CD ARG A 71 0.884 35.368 20.672 1.00 0.00 C ATOM 1195 NE ARG A 71 0.322 36.226 21.711 1.00 0.00 N ATOM 1196 CZ ARG A 71 -0.683 37.069 21.504 1.00 0.00 C ATOM 1197 NH1 ARG A 71 -1.235 37.166 20.302 1.00 0.00 N ATOM 1198 NH2 ARG A 71 -1.139 37.817 22.500 1.00 0.00 N ATOM 0 H ARG A 71 -0.607 31.019 20.215 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.919 33.007 18.064 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.224 32.484 20.157 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.414 33.650 18.862 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.908 34.572 19.797 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.398 33.748 21.257 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.849 34.984 21.002 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.065 35.958 19.774 1.00 0.00 H new ATOM 0 HE ARG A 71 0.723 36.175 22.647 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.888 36.592 19.534 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.007 37.814 20.146 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.718 37.745 23.426 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.911 38.464 22.340 1.00 0.00 H new ATOM 1212 N ILE A 72 0.175 30.246 17.458 1.00 0.00 N ATOM 1213 CA ILE A 72 0.866 29.358 16.532 1.00 0.00 C ATOM 1214 C ILE A 72 -0.039 28.965 15.369 1.00 0.00 C ATOM 1215 O ILE A 72 -1.242 28.777 15.542 1.00 0.00 O ATOM 1216 CB ILE A 72 1.359 28.081 17.237 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.320 28.439 18.373 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.033 27.151 16.239 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.504 27.327 19.382 1.00 0.00 C ATOM 0 H ILE A 72 -0.599 29.812 17.961 1.00 0.00 H new ATOM 0 HA ILE A 72 1.727 29.908 16.151 1.00 0.00 H new ATOM 0 HB ILE A 72 0.499 27.563 17.662 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.290 28.698 17.949 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.949 29.326 18.886 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.376 26.253 16.753 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.321 26.875 15.461 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.885 27.658 15.787 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.198 27.651 20.158 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.543 27.083 19.834 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.905 26.445 18.882 1.00 0.00 H new ATOM 1231 N ASN A 73 0.549 28.842 14.184 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.204 28.470 12.991 1.00 0.00 C ATOM 1233 C ASN A 73 -0.029 26.987 12.679 1.00 0.00 C ATOM 1234 O ASN A 73 1.019 26.563 12.191 1.00 0.00 O ATOM 1235 CB ASN A 73 0.247 29.311 11.795 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.654 29.130 10.589 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -0.743 28.039 10.025 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -1.328 30.201 10.187 1.00 0.00 N ATOM 0 H ASN A 73 1.545 28.994 14.024 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.260 28.661 13.183 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.262 30.363 12.079 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.268 29.038 11.527 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.950 30.139 9.381 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.224 31.085 10.684 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.064 26.203 12.962 1.00 0.00 N ATOM 1246 CA LEU A 74 -1.026 24.767 12.711 1.00 0.00 C ATOM 1247 C LEU A 74 -1.634 24.435 11.351 1.00 0.00 C ATOM 1248 O LEU A 74 -2.032 23.298 11.098 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.776 24.016 13.813 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.957 23.649 15.051 1.00 0.00 C ATOM 1251 CD1 LEU A 74 0.118 22.632 14.698 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.334 24.894 15.667 1.00 0.00 C ATOM 0 H LEU A 74 -1.939 26.538 13.365 1.00 0.00 H new ATOM 0 HA LEU A 74 0.017 24.452 12.709 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.622 24.626 14.129 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.185 23.100 13.387 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.626 23.200 15.785 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.691 22.383 15.591 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.350 21.730 14.304 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.785 23.053 13.946 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.245 24.614 16.547 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.321 25.372 14.938 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.122 25.589 15.957 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.700 25.435 10.479 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.255 25.250 9.144 1.00 0.00 C ATOM 1266 C ASP A 75 -1.145 25.083 8.111 1.00 0.00 C ATOM 1267 O ASP A 75 -1.364 24.539 7.029 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.144 26.437 8.768 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.603 26.196 9.100 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -5.050 25.034 9.000 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.298 27.168 9.460 1.00 0.00 O ATOM 0 H ASP A 75 -1.376 26.382 10.673 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.858 24.342 9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.797 27.327 9.293 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.046 26.637 7.701 1.00 0.00 H new ATOM 1276 N LYS A 76 0.049 25.557 8.452 1.00 0.00 N ATOM 1277 CA LYS A 76 1.195 25.462 7.556 1.00 0.00 C ATOM 1278 C LYS A 76 2.096 24.295 7.948 1.00 0.00 C ATOM 1279 O LYS A 76 2.264 23.999 9.130 1.00 0.00 O ATOM 1280 CB LYS A 76 1.995 26.766 7.577 1.00 0.00 C ATOM 1281 CG LYS A 76 1.530 27.780 6.545 1.00 0.00 C ATOM 1282 CD LYS A 76 0.729 28.901 7.186 1.00 0.00 C ATOM 1283 CE LYS A 76 0.715 30.146 6.313 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.664 30.677 6.127 1.00 0.00 N ATOM 0 H LYS A 76 0.248 26.011 9.343 1.00 0.00 H new ATOM 0 HA LYS A 76 0.822 25.288 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.923 27.211 8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.047 26.540 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.394 28.198 6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.920 27.281 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.293 28.566 7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.155 29.143 8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.342 30.914 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.149 29.913 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.621 31.701 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.112 30.203 5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.224 30.498 6.985 1.00 0.00 H new ATOM 1298 N GLU A 77 2.674 23.637 6.947 1.00 0.00 N ATOM 1299 CA GLU A 77 3.558 22.503 7.189 1.00 0.00 C ATOM 1300 C GLU A 77 4.649 22.868 8.192 1.00 0.00 C ATOM 1301 O GLU A 77 5.050 24.027 8.295 1.00 0.00 O ATOM 1302 CB GLU A 77 4.192 22.034 5.878 1.00 0.00 C ATOM 1303 CG GLU A 77 3.187 21.819 4.759 1.00 0.00 C ATOM 1304 CD GLU A 77 3.797 21.136 3.550 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.734 21.708 2.956 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.337 20.029 3.199 1.00 0.00 O ATOM 0 H GLU A 77 2.546 23.870 5.962 1.00 0.00 H new ATOM 0 HA GLU A 77 2.961 21.692 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.929 22.770 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.729 21.102 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.358 21.218 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.773 22.781 4.458 1.00 0.00 H new ATOM 1313 N VAL A 78 5.124 21.870 8.931 1.00 0.00 N ATOM 1314 CA VAL A 78 6.168 22.085 9.925 1.00 0.00 C ATOM 1315 C VAL A 78 7.494 21.486 9.468 1.00 0.00 C ATOM 1316 O VAL A 78 7.526 20.428 8.839 1.00 0.00 O ATOM 1317 CB VAL A 78 5.783 21.472 11.285 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.923 21.620 12.280 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.512 22.116 11.818 1.00 0.00 C ATOM 0 H VAL A 78 4.802 20.905 8.860 1.00 0.00 H new ATOM 0 HA VAL A 78 6.279 23.163 10.039 1.00 0.00 H new ATOM 0 HB VAL A 78 5.593 20.408 11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.632 21.181 13.234 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.807 21.108 11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.148 22.677 12.420 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.254 21.671 12.779 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.672 23.187 11.945 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.698 21.952 11.112 1.00 0.00 H new ATOM 1329 N LEU A 79 8.587 22.170 9.788 1.00 0.00 N ATOM 1330 CA LEU A 79 9.917 21.706 9.411 1.00 0.00 C ATOM 1331 C LEU A 79 10.641 21.097 10.607 1.00 0.00 C ATOM 1332 O LEU A 79 10.744 21.718 11.666 1.00 0.00 O ATOM 1333 CB LEU A 79 10.739 22.863 8.838 1.00 0.00 C ATOM 1334 CG LEU A 79 11.096 22.762 7.355 1.00 0.00 C ATOM 1335 CD1 LEU A 79 9.898 23.122 6.491 1.00 0.00 C ATOM 1336 CD2 LEU A 79 12.280 23.662 7.030 1.00 0.00 C ATOM 0 H LEU A 79 8.578 23.048 10.308 1.00 0.00 H new ATOM 0 HA LEU A 79 9.803 20.936 8.648 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.186 23.789 8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.664 22.943 9.409 1.00 0.00 H new ATOM 0 HG LEU A 79 11.377 21.731 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.172 23.044 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.077 22.437 6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.585 24.143 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.521 23.578 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.026 24.696 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.142 23.357 7.623 1.00 0.00 H new ATOM 1348 N TYR A 80 11.143 19.880 10.431 1.00 0.00 N ATOM 1349 CA TYR A 80 11.858 19.186 11.496 1.00 0.00 C ATOM 1350 C TYR A 80 13.288 18.866 11.074 1.00 0.00 C ATOM 1351 O TYR A 80 13.609 18.784 9.888 1.00 0.00 O ATOM 1352 CB TYR A 80 11.125 17.898 11.876 1.00 0.00 C ATOM 1353 CG TYR A 80 9.863 18.132 12.675 1.00 0.00 C ATOM 1354 CD1 TYR A 80 9.897 18.192 14.062 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.637 18.294 12.042 1.00 0.00 C ATOM 1356 CE1 TYR A 80 8.746 18.404 14.797 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.481 18.509 12.768 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.541 18.563 14.145 1.00 0.00 C ATOM 1359 OH TYR A 80 6.393 18.776 14.872 1.00 0.00 O ATOM 0 H TYR A 80 11.068 19.353 9.561 1.00 0.00 H new ATOM 0 HA TYR A 80 11.894 19.845 12.364 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.873 17.352 10.967 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.798 17.264 12.453 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.839 18.071 14.575 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.586 18.251 10.964 1.00 0.00 H new ATOM 0 HE1 TYR A 80 8.790 18.445 15.875 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.536 18.634 12.260 1.00 0.00 H new ATOM 0 HH TYR A 80 6.616 19.232 15.710 1.00 0.00 H new ATOM 1369 N PRO A 81 14.170 18.680 12.067 1.00 0.00 N ATOM 1370 CA PRO A 81 15.580 18.364 11.825 1.00 0.00 C ATOM 1371 C PRO A 81 15.772 16.960 11.260 1.00 0.00 C ATOM 1372 O PRO A 81 14.963 16.065 11.507 1.00 0.00 O ATOM 1373 CB PRO A 81 16.212 18.471 13.215 1.00 0.00 C ATOM 1374 CG PRO A 81 15.091 18.210 14.161 1.00 0.00 C ATOM 1375 CD PRO A 81 13.857 18.762 13.504 1.00 0.00 C ATOM 0 HA PRO A 81 16.025 19.031 11.087 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.015 17.745 13.342 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.646 19.457 13.378 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.985 17.143 14.356 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.271 18.693 15.122 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.972 18.178 13.756 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.661 19.788 13.815 1.00 0.00 H new