USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 24 SER OG : rot 68:sc= 0.481 USER MOD Single : A 28 SER OG : rot 72:sc= 1.24 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.52) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.22 K(o=-0.22,f=-3.3!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00944) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.19 K(o=1.2,f=-0.024) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N GLU A 13 23.409 7.226 -7.513 1.00 0.00 N ATOM 171 CA GLU A 13 24.660 7.199 -6.743 1.00 0.00 C ATOM 172 C GLU A 13 25.597 8.360 -7.142 1.00 0.00 C ATOM 173 O GLU A 13 25.990 9.154 -6.294 1.00 0.00 O ATOM 174 CB GLU A 13 25.297 5.805 -6.879 1.00 0.00 C ATOM 175 CG GLU A 13 26.619 5.629 -6.118 1.00 0.00 C ATOM 176 CD GLU A 13 26.485 5.791 -4.589 1.00 0.00 C ATOM 177 OE1 GLU A 13 25.436 5.414 -4.012 1.00 0.00 O ATOM 178 OE2 GLU A 13 27.445 6.274 -3.943 1.00 0.00 O ATOM 0 HA GLU A 13 24.454 7.364 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.586 5.059 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.471 5.601 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.023 4.640 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.341 6.357 -6.489 1.00 0.00 H new ATOM 185 N ARG A 14 25.917 8.507 -8.437 1.00 0.00 N ATOM 186 CA ARG A 14 26.948 9.465 -8.889 1.00 0.00 C ATOM 187 C ARG A 14 26.577 10.930 -8.640 1.00 0.00 C ATOM 188 O ARG A 14 27.475 11.719 -8.350 1.00 0.00 O ATOM 189 CB ARG A 14 27.412 9.213 -10.331 1.00 0.00 C ATOM 190 CG ARG A 14 26.351 9.431 -11.423 1.00 0.00 C ATOM 191 CD ARG A 14 26.860 10.298 -12.578 1.00 0.00 C ATOM 192 NE ARG A 14 26.442 11.703 -12.414 1.00 0.00 N ATOM 193 CZ ARG A 14 25.366 12.275 -12.914 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.510 11.653 -13.669 1.00 0.00 N ATOM 195 NH2 ARG A 14 25.095 13.506 -12.653 1.00 0.00 N ATOM 0 H ARG A 14 25.480 7.978 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 14 27.811 9.270 -8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 14 28.260 9.866 -10.539 1.00 0.00 H new ATOM 0 HB3 ARG A 14 27.774 8.187 -10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.033 8.464 -11.813 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.472 9.901 -10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 14 27.948 10.243 -12.626 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.479 9.910 -13.523 1.00 0.00 H new ATOM 0 HE ARG A 14 27.053 12.296 -11.852 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.655 10.671 -13.902 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.693 12.147 -14.028 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.716 14.049 -12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.259 13.939 -13.046 1.00 0.00 H new ATOM 209 N VAL A 15 25.276 11.266 -8.622 1.00 0.00 N ATOM 210 CA VAL A 15 24.807 12.602 -8.192 1.00 0.00 C ATOM 211 C VAL A 15 25.188 12.934 -6.745 1.00 0.00 C ATOM 212 O VAL A 15 25.270 14.111 -6.400 1.00 0.00 O ATOM 213 CB VAL A 15 23.308 12.866 -8.424 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.971 12.920 -9.916 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.386 11.860 -7.741 1.00 0.00 C ATOM 0 H VAL A 15 24.527 10.632 -8.900 1.00 0.00 H new ATOM 0 HA VAL A 15 25.345 13.280 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 15 23.126 13.837 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.905 13.108 -10.042 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.539 13.722 -10.388 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.229 11.969 -10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.348 12.116 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.597 10.859 -8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.553 11.886 -6.664 1.00 0.00 H new ATOM 225 N ASP A 16 25.481 11.941 -5.897 1.00 0.00 N ATOM 226 CA ASP A 16 25.932 12.209 -4.522 1.00 0.00 C ATOM 227 C ASP A 16 27.345 12.831 -4.477 1.00 0.00 C ATOM 228 O ASP A 16 27.567 13.827 -3.785 1.00 0.00 O ATOM 229 CB ASP A 16 25.887 10.914 -3.702 1.00 0.00 C ATOM 230 CG ASP A 16 26.196 11.161 -2.219 1.00 0.00 C ATOM 231 OD1 ASP A 16 25.259 11.509 -1.464 1.00 0.00 O ATOM 232 OD2 ASP A 16 27.365 10.974 -1.802 1.00 0.00 O ATOM 0 H ASP A 16 25.415 10.951 -6.134 1.00 0.00 H new ATOM 0 HA ASP A 16 25.252 12.942 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.901 10.460 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.606 10.202 -4.108 1.00 0.00 H new ATOM 237 N LEU A 17 28.296 12.286 -5.246 1.00 0.00 N ATOM 238 CA LEU A 17 29.715 12.649 -5.151 1.00 0.00 C ATOM 239 C LEU A 17 29.971 14.069 -5.671 1.00 0.00 C ATOM 240 O LEU A 17 30.696 14.851 -5.061 1.00 0.00 O ATOM 241 CB LEU A 17 30.569 11.616 -5.908 1.00 0.00 C ATOM 242 CG LEU A 17 30.612 10.220 -5.250 1.00 0.00 C ATOM 243 CD1 LEU A 17 29.547 9.272 -5.806 1.00 0.00 C ATOM 244 CD2 LEU A 17 31.973 9.572 -5.498 1.00 0.00 C ATOM 0 H LEU A 17 28.102 11.578 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 17 30.003 12.640 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.181 11.515 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.587 11.996 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 17 30.425 10.376 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.624 8.306 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.557 9.693 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.700 9.141 -6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 17 31.998 8.587 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 17 32.137 9.470 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 17 32.757 10.196 -5.069 1.00 0.00 H new ATOM 256 N GLU A 18 29.300 14.424 -6.763 1.00 0.00 N ATOM 257 CA GLU A 18 29.254 15.784 -7.310 1.00 0.00 C ATOM 258 C GLU A 18 28.552 16.778 -6.363 1.00 0.00 C ATOM 259 O GLU A 18 29.010 17.911 -6.236 1.00 0.00 O ATOM 260 CB GLU A 18 28.645 15.754 -8.722 1.00 0.00 C ATOM 261 CG GLU A 18 27.261 15.104 -8.767 1.00 0.00 C ATOM 262 CD GLU A 18 26.864 14.721 -10.205 1.00 0.00 C ATOM 263 OE1 GLU A 18 27.404 13.742 -10.772 1.00 0.00 O ATOM 264 OE2 GLU A 18 25.942 15.347 -10.767 1.00 0.00 O ATOM 0 H GLU A 18 28.756 13.757 -7.310 1.00 0.00 H new ATOM 0 HA GLU A 18 30.274 16.160 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.573 16.773 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.316 15.212 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.255 14.214 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.522 15.791 -8.355 1.00 0.00 H new ATOM 271 N ALA A 19 27.525 16.367 -5.603 1.00 0.00 N ATOM 272 CA ALA A 19 26.934 17.213 -4.560 1.00 0.00 C ATOM 273 C ALA A 19 27.916 17.488 -3.400 1.00 0.00 C ATOM 274 O ALA A 19 28.002 18.621 -2.929 1.00 0.00 O ATOM 275 CB ALA A 19 25.618 16.580 -4.092 1.00 0.00 C ATOM 0 H ALA A 19 27.087 15.450 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 19 26.716 18.196 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.171 17.202 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.932 16.502 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.815 15.586 -3.691 1.00 0.00 H new ATOM 281 N VAL A 20 28.719 16.499 -2.985 1.00 0.00 N ATOM 282 CA VAL A 20 29.807 16.678 -1.992 1.00 0.00 C ATOM 283 C VAL A 20 30.947 17.541 -2.554 1.00 0.00 C ATOM 284 O VAL A 20 31.477 18.412 -1.858 1.00 0.00 O ATOM 285 CB VAL A 20 30.319 15.310 -1.489 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.515 15.438 -0.537 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.219 14.561 -0.725 1.00 0.00 C ATOM 0 H VAL A 20 28.638 15.541 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 20 29.397 17.214 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 20 30.622 14.767 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 20 31.832 14.446 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.338 15.933 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.226 16.026 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.604 13.601 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 20 28.904 15.154 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.367 14.395 -1.384 1.00 0.00 H new ATOM 297 N ARG A 21 31.277 17.383 -3.842 1.00 0.00 N ATOM 298 CA ARG A 21 32.229 18.261 -4.541 1.00 0.00 C ATOM 299 C ARG A 21 31.752 19.713 -4.523 1.00 0.00 C ATOM 300 O ARG A 21 32.527 20.580 -4.147 1.00 0.00 O ATOM 301 CB ARG A 21 32.482 17.718 -5.959 1.00 0.00 C ATOM 302 CG ARG A 21 33.542 18.488 -6.763 1.00 0.00 C ATOM 303 CD ARG A 21 34.904 18.647 -6.067 1.00 0.00 C ATOM 304 NE ARG A 21 35.499 17.344 -5.695 1.00 0.00 N ATOM 305 CZ ARG A 21 36.585 17.151 -4.967 1.00 0.00 C ATOM 306 NH1 ARG A 21 37.288 18.141 -4.495 1.00 0.00 N ATOM 307 NH2 ARG A 21 36.992 15.943 -4.698 1.00 0.00 N ATOM 0 H ARG A 21 30.893 16.644 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 21 33.185 18.260 -4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.789 16.675 -5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.543 17.735 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.695 17.978 -7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.151 19.479 -6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.587 19.181 -6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.783 19.258 -5.172 1.00 0.00 H new ATOM 0 HE ARG A 21 35.022 16.509 -6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 21 37.005 19.103 -4.684 1.00 0.00 H new ATOM 0 HH12 ARG A 21 38.121 17.954 -3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.472 15.139 -5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 21 37.831 15.801 -4.136 1.00 0.00 H new ATOM 321 N LEU A 22 30.475 19.987 -4.790 1.00 0.00 N ATOM 322 CA LEU A 22 29.897 21.333 -4.678 1.00 0.00 C ATOM 323 C LEU A 22 29.785 21.815 -3.240 1.00 0.00 C ATOM 324 O LEU A 22 30.042 22.987 -3.018 1.00 0.00 O ATOM 325 CB LEU A 22 28.573 21.469 -5.439 1.00 0.00 C ATOM 326 CG LEU A 22 28.805 21.890 -6.901 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.268 20.745 -7.794 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.508 22.454 -7.456 1.00 0.00 C ATOM 0 H LEU A 22 29.806 19.279 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 22 30.608 22.000 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 22 28.038 20.520 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.941 22.205 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 22 29.602 22.634 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.412 21.112 -8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.209 20.346 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.514 19.958 -7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.657 22.757 -8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.730 21.692 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.205 23.318 -6.865 1.00 0.00 H new ATOM 340 N ALA A 23 29.519 20.967 -2.247 1.00 0.00 N ATOM 341 CA ALA A 23 29.638 21.385 -0.845 1.00 0.00 C ATOM 342 C ALA A 23 31.066 21.900 -0.552 1.00 0.00 C ATOM 343 O ALA A 23 31.241 22.898 0.146 1.00 0.00 O ATOM 344 CB ALA A 23 29.212 20.215 0.044 1.00 0.00 C ATOM 0 H ALA A 23 29.224 20.000 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 23 28.977 22.224 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.293 20.505 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.180 19.946 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 23 29.859 19.359 -0.146 1.00 0.00 H new ATOM 350 N SER A 24 32.072 21.302 -1.200 1.00 0.00 N ATOM 351 CA SER A 24 33.467 21.772 -1.183 1.00 0.00 C ATOM 352 C SER A 24 33.698 23.055 -2.010 1.00 0.00 C ATOM 353 O SER A 24 34.432 23.934 -1.547 1.00 0.00 O ATOM 354 CB SER A 24 34.434 20.654 -1.611 1.00 0.00 C ATOM 355 OG SER A 24 34.153 19.422 -0.956 1.00 0.00 O ATOM 0 H SER A 24 31.940 20.461 -1.762 1.00 0.00 H new ATOM 0 HA SER A 24 33.680 22.041 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.370 20.513 -2.690 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.458 20.956 -1.390 1.00 0.00 H new ATOM 0 HG SER A 24 33.293 19.073 -1.271 1.00 0.00 H new ATOM 361 N ILE A 25 33.068 23.243 -3.189 1.00 0.00 N ATOM 362 CA ILE A 25 33.257 24.502 -3.941 1.00 0.00 C ATOM 363 C ILE A 25 32.519 25.669 -3.257 1.00 0.00 C ATOM 364 O ILE A 25 33.013 26.793 -3.228 1.00 0.00 O ATOM 365 CB ILE A 25 32.871 24.409 -5.430 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.172 23.072 -6.132 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.609 25.525 -6.190 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.594 22.516 -6.042 1.00 0.00 C ATOM 0 H ILE A 25 32.445 22.566 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 25 34.330 24.695 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 25 31.785 24.506 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.494 22.322 -5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.925 23.186 -7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.350 25.478 -7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.316 26.495 -5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.685 25.394 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.650 21.572 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.292 23.229 -6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.855 22.351 -4.997 1.00 0.00 H new ATOM 380 N VAL A 26 31.365 25.400 -2.641 1.00 0.00 N ATOM 381 CA VAL A 26 30.592 26.367 -1.848 1.00 0.00 C ATOM 382 C VAL A 26 31.370 26.735 -0.588 1.00 0.00 C ATOM 383 O VAL A 26 31.560 27.920 -0.367 1.00 0.00 O ATOM 384 CB VAL A 26 29.205 25.807 -1.498 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.405 26.760 -0.603 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.362 25.553 -2.762 1.00 0.00 C ATOM 0 H VAL A 26 30.928 24.479 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 26 30.439 27.268 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 26 29.394 24.873 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.432 26.321 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 26 28.947 26.926 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.266 27.711 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.388 25.157 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.228 26.489 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.873 24.833 -3.401 1.00 0.00 H new ATOM 396 N ASP A 27 31.928 25.787 0.175 1.00 0.00 N ATOM 397 CA ASP A 27 32.854 26.103 1.278 1.00 0.00 C ATOM 398 C ASP A 27 34.017 27.000 0.815 1.00 0.00 C ATOM 399 O ASP A 27 34.322 28.015 1.445 1.00 0.00 O ATOM 400 CB ASP A 27 33.406 24.808 1.885 1.00 0.00 C ATOM 401 CG ASP A 27 34.532 25.088 2.896 1.00 0.00 C ATOM 402 OD1 ASP A 27 34.304 25.843 3.870 1.00 0.00 O ATOM 403 OD2 ASP A 27 35.641 24.530 2.715 1.00 0.00 O ATOM 0 H ASP A 27 31.755 24.789 0.050 1.00 0.00 H new ATOM 0 HA ASP A 27 32.291 26.653 2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.600 24.265 2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.783 24.165 1.090 1.00 0.00 H new ATOM 408 N SER A 28 34.606 26.688 -0.345 1.00 0.00 N ATOM 409 CA SER A 28 35.664 27.508 -0.957 1.00 0.00 C ATOM 410 C SER A 28 35.193 28.944 -1.266 1.00 0.00 C ATOM 411 O SER A 28 35.978 29.885 -1.158 1.00 0.00 O ATOM 412 CB SER A 28 36.217 26.840 -2.225 1.00 0.00 C ATOM 413 OG SER A 28 36.662 25.516 -1.965 1.00 0.00 O ATOM 0 H SER A 28 34.364 25.859 -0.888 1.00 0.00 H new ATOM 0 HA SER A 28 36.465 27.582 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.444 26.821 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 28 37.043 27.432 -2.618 1.00 0.00 H new ATOM 0 HG SER A 28 35.888 24.935 -1.811 1.00 0.00 H new ATOM 419 N ARG A 29 33.898 29.138 -1.563 1.00 0.00 N ATOM 420 CA ARG A 29 33.237 30.449 -1.718 1.00 0.00 C ATOM 421 C ARG A 29 32.845 31.099 -0.384 1.00 0.00 C ATOM 422 O ARG A 29 32.972 32.315 -0.256 1.00 0.00 O ATOM 423 CB ARG A 29 32.023 30.259 -2.647 1.00 0.00 C ATOM 424 CG ARG A 29 31.296 31.555 -3.016 1.00 0.00 C ATOM 425 CD ARG A 29 32.112 32.488 -3.914 1.00 0.00 C ATOM 426 NE ARG A 29 31.255 33.570 -4.447 1.00 0.00 N ATOM 427 CZ ARG A 29 31.514 34.347 -5.483 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.661 34.308 -6.102 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.629 35.191 -5.922 1.00 0.00 N ATOM 0 H ARG A 29 33.256 28.358 -1.708 1.00 0.00 H new ATOM 0 HA ARG A 29 33.946 31.149 -2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.356 29.771 -3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.315 29.585 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.362 31.306 -3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.032 32.086 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 29 32.939 32.916 -3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.548 31.922 -4.737 1.00 0.00 H new ATOM 0 HE ARG A 29 30.372 33.733 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.388 33.665 -5.789 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.831 34.921 -6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.720 35.260 -5.465 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.844 35.785 -6.723 1.00 0.00 H new ATOM 443 N LEU A 30 32.437 30.338 0.635 1.00 0.00 N ATOM 444 CA LEU A 30 32.161 30.878 1.974 1.00 0.00 C ATOM 445 C LEU A 30 33.444 31.408 2.648 1.00 0.00 C ATOM 446 O LEU A 30 33.410 32.437 3.323 1.00 0.00 O ATOM 447 CB LEU A 30 31.435 29.842 2.854 1.00 0.00 C ATOM 448 CG LEU A 30 30.073 29.344 2.329 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.414 28.387 3.329 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.087 30.484 2.046 1.00 0.00 C ATOM 0 H LEU A 30 32.288 29.332 0.558 1.00 0.00 H new ATOM 0 HA LEU A 30 31.491 31.729 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.090 28.980 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.284 30.276 3.842 1.00 0.00 H new ATOM 0 HG LEU A 30 30.293 28.832 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.455 28.051 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.062 27.525 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.255 28.903 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.148 30.070 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 30 28.904 31.043 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.508 31.151 1.293 1.00 0.00 H new ATOM 462 N ILE A 31 34.589 30.769 2.385 1.00 0.00 N ATOM 463 CA ILE A 31 35.928 31.256 2.758 1.00 0.00 C ATOM 464 C ILE A 31 36.370 32.413 1.831 1.00 0.00 C ATOM 465 O ILE A 31 37.012 33.365 2.279 1.00 0.00 O ATOM 466 CB ILE A 31 36.924 30.066 2.731 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.554 29.028 3.820 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.379 30.531 2.930 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.263 27.677 3.662 1.00 0.00 C ATOM 0 H ILE A 31 34.614 29.875 1.894 1.00 0.00 H new ATOM 0 HA ILE A 31 35.907 31.662 3.769 1.00 0.00 H new ATOM 0 HB ILE A 31 36.850 29.604 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 31 36.797 29.442 4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.476 28.865 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.044 29.667 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.652 31.223 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.472 31.032 3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 31 36.951 27.006 4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.001 27.239 2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.342 27.824 3.712 1.00 0.00 H new ATOM 481 N GLY A 32 36.001 32.352 0.545 1.00 0.00 N ATOM 482 CA GLY A 32 36.447 33.264 -0.513 1.00 0.00 C ATOM 483 C GLY A 32 35.826 34.655 -0.462 1.00 0.00 C ATOM 484 O GLY A 32 36.495 35.654 -0.734 1.00 0.00 O ATOM 0 H GLY A 32 35.359 31.638 0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.531 33.363 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.219 32.815 -1.480 1.00 0.00 H new ATOM 488 N THR A 33 34.541 34.713 -0.110 1.00 0.00 N ATOM 489 CA THR A 33 33.781 35.968 0.058 1.00 0.00 C ATOM 490 C THR A 33 32.606 35.883 1.054 1.00 0.00 C ATOM 491 O THR A 33 32.266 36.888 1.681 1.00 0.00 O ATOM 492 CB THR A 33 33.304 36.459 -1.322 1.00 0.00 C ATOM 493 OG1 THR A 33 32.769 37.762 -1.253 1.00 0.00 O ATOM 494 CG2 THR A 33 32.242 35.545 -1.933 1.00 0.00 C ATOM 0 H THR A 33 33.983 33.879 0.071 1.00 0.00 H new ATOM 0 HA THR A 33 34.465 36.689 0.505 1.00 0.00 H new ATOM 0 HB THR A 33 34.191 36.451 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 33 32.477 38.044 -2.145 1.00 0.00 H new ATOM 0 HG21 THR A 33 31.940 35.936 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 33 32.652 34.543 -2.057 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.375 35.503 -1.274 1.00 0.00 H new ATOM 502 N GLY A 34 32.007 34.696 1.261 1.00 0.00 N ATOM 503 CA GLY A 34 30.952 34.473 2.271 1.00 0.00 C ATOM 504 C GLY A 34 29.520 34.316 1.750 1.00 0.00 C ATOM 505 O GLY A 34 28.596 34.084 2.532 1.00 0.00 O ATOM 0 H GLY A 34 32.242 33.858 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.208 33.577 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.969 35.309 2.971 1.00 0.00 H new ATOM 509 N SER A 35 29.343 34.371 0.432 1.00 0.00 N ATOM 510 CA SER A 35 28.063 34.226 -0.277 1.00 0.00 C ATOM 511 C SER A 35 28.308 33.568 -1.633 1.00 0.00 C ATOM 512 O SER A 35 29.281 33.893 -2.315 1.00 0.00 O ATOM 513 CB SER A 35 27.385 35.586 -0.500 1.00 0.00 C ATOM 514 OG SER A 35 26.999 36.179 0.729 1.00 0.00 O ATOM 0 H SER A 35 30.123 34.525 -0.207 1.00 0.00 H new ATOM 0 HA SER A 35 27.406 33.610 0.337 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.067 36.252 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.508 35.458 -1.135 1.00 0.00 H new ATOM 0 HG SER A 35 26.572 37.044 0.555 1.00 0.00 H new ATOM 520 N VAL A 36 27.436 32.646 -2.037 1.00 0.00 N ATOM 521 CA VAL A 36 27.481 31.962 -3.342 1.00 0.00 C ATOM 522 C VAL A 36 26.341 32.460 -4.232 1.00 0.00 C ATOM 523 O VAL A 36 25.263 32.800 -3.742 1.00 0.00 O ATOM 524 CB VAL A 36 27.469 30.438 -3.133 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.105 29.889 -2.712 1.00 0.00 C ATOM 526 CG2 VAL A 36 27.904 29.707 -4.398 1.00 0.00 C ATOM 0 H VAL A 36 26.655 32.341 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 36 28.409 32.200 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 36 28.173 30.259 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.172 28.809 -2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 36 25.802 30.349 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.368 30.118 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.886 28.632 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.222 29.952 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.915 30.014 -4.666 1.00 0.00 H new ATOM 536 N ASP A 37 26.573 32.514 -5.545 1.00 0.00 N ATOM 537 CA ASP A 37 25.643 33.060 -6.536 1.00 0.00 C ATOM 538 C ASP A 37 25.495 32.098 -7.719 1.00 0.00 C ATOM 539 O ASP A 37 26.392 31.296 -7.992 1.00 0.00 O ATOM 540 CB ASP A 37 26.133 34.437 -7.024 1.00 0.00 C ATOM 541 CG ASP A 37 26.667 35.342 -5.897 1.00 0.00 C ATOM 542 OD1 ASP A 37 27.881 35.264 -5.578 1.00 0.00 O ATOM 543 OD2 ASP A 37 25.879 36.153 -5.352 1.00 0.00 O ATOM 0 H ASP A 37 27.438 32.169 -5.960 1.00 0.00 H new ATOM 0 HA ASP A 37 24.667 33.182 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.920 34.291 -7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.312 34.947 -7.528 1.00 0.00 H new ATOM 548 N GLU A 38 24.389 32.194 -8.460 1.00 0.00 N ATOM 549 CA GLU A 38 24.116 31.302 -9.598 1.00 0.00 C ATOM 550 C GLU A 38 25.250 31.319 -10.637 1.00 0.00 C ATOM 551 O GLU A 38 25.648 30.273 -11.154 1.00 0.00 O ATOM 552 CB GLU A 38 22.790 31.715 -10.259 1.00 0.00 C ATOM 553 CG GLU A 38 22.109 30.534 -10.959 1.00 0.00 C ATOM 554 CD GLU A 38 21.022 30.988 -11.957 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.210 31.890 -11.630 1.00 0.00 O ATOM 556 OE2 GLU A 38 20.986 30.449 -13.090 1.00 0.00 O ATOM 0 H GLU A 38 23.659 32.887 -8.293 1.00 0.00 H new ATOM 0 HA GLU A 38 24.046 30.283 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.120 32.125 -9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.977 32.508 -10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.860 29.946 -11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.661 29.881 -10.210 1.00 0.00 H new ATOM 563 N ASP A 39 25.834 32.497 -10.879 1.00 0.00 N ATOM 564 CA ASP A 39 26.937 32.705 -11.818 1.00 0.00 C ATOM 565 C ASP A 39 28.270 32.102 -11.349 1.00 0.00 C ATOM 566 O ASP A 39 29.133 31.829 -12.184 1.00 0.00 O ATOM 567 CB ASP A 39 27.065 34.220 -12.037 1.00 0.00 C ATOM 568 CG ASP A 39 28.124 34.591 -13.086 1.00 0.00 C ATOM 569 OD1 ASP A 39 27.919 34.263 -14.279 1.00 0.00 O ATOM 570 OD2 ASP A 39 29.139 35.235 -12.729 1.00 0.00 O ATOM 0 H ASP A 39 25.543 33.356 -10.413 1.00 0.00 H new ATOM 0 HA ASP A 39 26.709 32.183 -12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.099 34.619 -12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.317 34.698 -11.090 1.00 0.00 H new ATOM 575 N PHE A 40 28.436 31.835 -10.045 1.00 0.00 N ATOM 576 CA PHE A 40 29.576 31.067 -9.551 1.00 0.00 C ATOM 577 C PHE A 40 29.364 29.561 -9.770 1.00 0.00 C ATOM 578 O PHE A 40 30.290 28.877 -10.197 1.00 0.00 O ATOM 579 CB PHE A 40 29.814 31.414 -8.076 1.00 0.00 C ATOM 580 CG PHE A 40 30.981 30.679 -7.448 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.293 31.163 -7.605 1.00 0.00 C ATOM 582 CD2 PHE A 40 30.752 29.509 -6.703 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.369 30.488 -7.002 1.00 0.00 C ATOM 584 CE2 PHE A 40 31.824 28.845 -6.085 1.00 0.00 C ATOM 585 CZ PHE A 40 33.134 29.334 -6.234 1.00 0.00 C ATOM 0 H PHE A 40 27.791 32.142 -9.317 1.00 0.00 H new ATOM 0 HA PHE A 40 30.470 31.334 -10.114 1.00 0.00 H new ATOM 0 HB2 PHE A 40 29.985 32.487 -7.989 1.00 0.00 H new ATOM 0 HB3 PHE A 40 28.910 31.189 -7.510 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.474 32.053 -8.189 1.00 0.00 H new ATOM 0 HD2 PHE A 40 29.749 29.120 -6.606 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.376 30.856 -7.129 1.00 0.00 H new ATOM 0 HE2 PHE A 40 31.642 27.959 -5.495 1.00 0.00 H new ATOM 0 HZ PHE A 40 33.959 28.824 -5.759 1.00 0.00 H new ATOM 595 N LEU A 41 28.152 29.035 -9.524 1.00 0.00 N ATOM 596 CA LEU A 41 27.873 27.585 -9.492 1.00 0.00 C ATOM 597 C LEU A 41 27.663 26.952 -10.869 1.00 0.00 C ATOM 598 O LEU A 41 28.046 25.798 -11.066 1.00 0.00 O ATOM 599 CB LEU A 41 26.666 27.328 -8.567 1.00 0.00 C ATOM 600 CG LEU A 41 26.984 27.488 -7.073 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.710 27.276 -6.257 1.00 0.00 C ATOM 602 CD2 LEU A 41 28.038 26.494 -6.577 1.00 0.00 C ATOM 0 H LEU A 41 27.329 29.608 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 41 28.764 27.096 -9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.863 28.015 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.293 26.319 -8.743 1.00 0.00 H new ATOM 0 HG LEU A 41 27.382 28.494 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.934 27.389 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.963 28.013 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 41 25.323 26.274 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 41 28.220 26.657 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.680 25.476 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.965 26.641 -7.131 1.00 0.00 H new ATOM 614 N ARG A 42 27.141 27.700 -11.848 1.00 0.00 N ATOM 615 CA ARG A 42 27.021 27.221 -13.244 1.00 0.00 C ATOM 616 C ARG A 42 28.360 26.771 -13.852 1.00 0.00 C ATOM 617 O ARG A 42 28.389 25.890 -14.706 1.00 0.00 O ATOM 618 CB ARG A 42 26.349 28.305 -14.109 1.00 0.00 C ATOM 619 CG ARG A 42 27.196 29.582 -14.241 1.00 0.00 C ATOM 620 CD ARG A 42 26.548 30.609 -15.178 1.00 0.00 C ATOM 621 NE ARG A 42 27.468 31.732 -15.442 1.00 0.00 N ATOM 622 CZ ARG A 42 28.510 31.770 -16.251 1.00 0.00 C ATOM 623 NH1 ARG A 42 28.833 30.793 -17.055 1.00 0.00 N ATOM 624 NH2 ARG A 42 29.249 32.834 -16.242 1.00 0.00 N ATOM 0 H ARG A 42 26.791 28.647 -11.705 1.00 0.00 H new ATOM 0 HA ARG A 42 26.395 26.329 -13.227 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.155 27.900 -15.102 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.382 28.560 -13.675 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.335 30.028 -13.256 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.186 29.323 -14.617 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.274 30.129 -16.117 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.627 30.985 -14.732 1.00 0.00 H new ATOM 0 HE ARG A 42 27.273 32.593 -14.931 1.00 0.00 H new ATOM 0 HH11 ARG A 42 28.268 29.944 -17.079 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.651 30.878 -17.659 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.018 33.610 -15.622 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.062 32.896 -16.855 1.00 0.00 H new ATOM 638 N GLU A 43 29.474 27.330 -13.367 1.00 0.00 N ATOM 639 CA GLU A 43 30.838 26.982 -13.806 1.00 0.00 C ATOM 640 C GLU A 43 31.423 25.750 -13.092 1.00 0.00 C ATOM 641 O GLU A 43 32.529 25.320 -13.421 1.00 0.00 O ATOM 642 CB GLU A 43 31.779 28.189 -13.615 1.00 0.00 C ATOM 643 CG GLU A 43 31.192 29.498 -14.153 1.00 0.00 C ATOM 644 CD GLU A 43 32.284 30.550 -14.430 1.00 0.00 C ATOM 645 OE1 GLU A 43 33.010 30.953 -13.489 1.00 0.00 O ATOM 646 OE2 GLU A 43 32.424 30.982 -15.601 1.00 0.00 O ATOM 0 H GLU A 43 29.457 28.050 -12.645 1.00 0.00 H new ATOM 0 HA GLU A 43 30.760 26.722 -14.862 1.00 0.00 H new ATOM 0 HB2 GLU A 43 32.000 28.306 -12.554 1.00 0.00 H new ATOM 0 HB3 GLU A 43 32.725 27.988 -14.118 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.641 29.297 -15.072 1.00 0.00 H new ATOM 0 HG3 GLU A 43 30.478 29.898 -13.433 1.00 0.00 H new ATOM 653 N GLN A 44 30.706 25.164 -12.124 1.00 0.00 N ATOM 654 CA GLN A 44 31.221 24.129 -11.211 1.00 0.00 C ATOM 655 C GLN A 44 30.449 22.810 -11.285 1.00 0.00 C ATOM 656 O GLN A 44 30.930 21.805 -10.765 1.00 0.00 O ATOM 657 CB GLN A 44 31.169 24.653 -9.760 1.00 0.00 C ATOM 658 CG GLN A 44 31.821 26.028 -9.564 1.00 0.00 C ATOM 659 CD GLN A 44 33.315 26.086 -9.877 1.00 0.00 C ATOM 660 OE1 GLN A 44 34.037 25.097 -9.911 1.00 0.00 O ATOM 661 NE2 GLN A 44 33.835 27.276 -10.088 1.00 0.00 N ATOM 0 H GLN A 44 29.729 25.400 -11.948 1.00 0.00 H new ATOM 0 HA GLN A 44 32.244 23.922 -11.524 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.128 24.709 -9.443 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.663 23.933 -9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 44 31.305 26.751 -10.195 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.669 26.341 -8.531 1.00 0.00 H new ATOM 0 HE21 GLN A 44 33.240 28.104 -10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.833 27.370 -10.278 1.00 0.00 H new ATOM 670 N ILE A 45 29.265 22.801 -11.915 1.00 0.00 N ATOM 671 CA ILE A 45 28.394 21.619 -11.984 1.00 0.00 C ATOM 672 C ILE A 45 29.093 20.408 -12.599 1.00 0.00 C ATOM 673 O ILE A 45 29.194 19.369 -11.948 1.00 0.00 O ATOM 674 CB ILE A 45 27.075 21.884 -12.747 1.00 0.00 C ATOM 675 CG1 ILE A 45 27.117 22.976 -13.841 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.991 22.232 -11.729 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.960 22.876 -14.844 1.00 0.00 C ATOM 0 H ILE A 45 28.883 23.617 -12.393 1.00 0.00 H new ATOM 0 HA ILE A 45 28.152 21.395 -10.945 1.00 0.00 H new ATOM 0 HB ILE A 45 26.870 20.963 -13.293 1.00 0.00 H new ATOM 0 HG12 ILE A 45 27.093 23.957 -13.366 1.00 0.00 H new ATOM 0 HG13 ILE A 45 28.062 22.905 -14.379 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.052 22.423 -12.248 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.861 21.400 -11.037 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.286 23.122 -11.174 1.00 0.00 H new ATOM 0 HD11 ILE A 45 26.050 23.671 -15.584 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.995 21.909 -15.345 1.00 0.00 H new ATOM 0 HD13 ILE A 45 25.011 22.977 -14.317 1.00 0.00 H new ATOM 735 N ARG A 49 22.578 18.643 -13.756 1.00 0.00 N ATOM 736 CA ARG A 49 21.775 19.521 -14.633 1.00 0.00 C ATOM 737 C ARG A 49 21.495 20.853 -13.937 1.00 0.00 C ATOM 738 O ARG A 49 21.699 21.912 -14.527 1.00 0.00 O ATOM 739 CB ARG A 49 20.485 18.799 -15.081 1.00 0.00 C ATOM 740 CG ARG A 49 20.146 19.005 -16.567 1.00 0.00 C ATOM 741 CD ARG A 49 21.138 18.354 -17.554 1.00 0.00 C ATOM 742 NE ARG A 49 21.239 16.885 -17.369 1.00 0.00 N ATOM 743 CZ ARG A 49 22.154 16.218 -16.683 1.00 0.00 C ATOM 744 NH1 ARG A 49 23.217 16.785 -16.200 1.00 0.00 N ATOM 745 NH2 ARG A 49 22.004 14.955 -16.426 1.00 0.00 N ATOM 0 HA ARG A 49 22.341 19.747 -15.537 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.590 17.732 -14.886 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.651 19.153 -14.475 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.150 18.604 -16.757 1.00 0.00 H new ATOM 0 HG3 ARG A 49 20.103 20.075 -16.770 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.823 18.568 -18.575 1.00 0.00 H new ATOM 0 HD3 ARG A 49 22.123 18.802 -17.424 1.00 0.00 H new ATOM 0 HE ARG A 49 20.519 16.323 -17.824 1.00 0.00 H new ATOM 0 HH11 ARG A 49 23.373 17.783 -16.343 1.00 0.00 H new ATOM 0 HH12 ARG A 49 23.897 16.233 -15.677 1.00 0.00 H new ATOM 0 HH21 ARG A 49 21.173 14.463 -16.754 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.717 14.454 -15.896 1.00 0.00 H new ATOM 759 N TYR A 50 21.098 20.785 -12.663 1.00 0.00 N ATOM 760 CA TYR A 50 20.719 21.924 -11.829 1.00 0.00 C ATOM 761 C TYR A 50 21.424 21.809 -10.466 1.00 0.00 C ATOM 762 O TYR A 50 21.292 20.776 -9.805 1.00 0.00 O ATOM 763 CB TYR A 50 19.176 21.915 -11.668 1.00 0.00 C ATOM 764 CG TYR A 50 18.365 21.481 -12.886 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.571 22.094 -14.138 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.379 20.481 -12.765 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.820 21.703 -15.262 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.626 20.082 -13.886 1.00 0.00 C ATOM 769 CZ TYR A 50 16.847 20.688 -15.139 1.00 0.00 C ATOM 770 OH TYR A 50 16.113 20.298 -16.216 1.00 0.00 O ATOM 0 H TYR A 50 21.030 19.897 -12.166 1.00 0.00 H new ATOM 0 HA TYR A 50 21.022 22.865 -12.288 1.00 0.00 H new ATOM 0 HB2 TYR A 50 18.924 21.255 -10.838 1.00 0.00 H new ATOM 0 HB3 TYR A 50 18.857 22.918 -11.386 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.313 22.872 -14.236 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.200 20.018 -11.806 1.00 0.00 H new ATOM 0 HE1 TYR A 50 17.988 22.179 -16.217 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.878 19.310 -13.785 1.00 0.00 H new ATOM 0 HH TYR A 50 15.492 19.588 -15.949 1.00 0.00 H new ATOM 780 N ALA A 51 22.188 22.821 -10.032 1.00 0.00 N ATOM 781 CA ALA A 51 22.702 22.884 -8.653 1.00 0.00 C ATOM 782 C ALA A 51 21.797 23.799 -7.806 1.00 0.00 C ATOM 783 O ALA A 51 21.302 24.808 -8.306 1.00 0.00 O ATOM 784 CB ALA A 51 24.162 23.347 -8.659 1.00 0.00 C ATOM 0 H ALA A 51 22.465 23.610 -10.616 1.00 0.00 H new ATOM 0 HA ALA A 51 22.682 21.893 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.534 23.391 -7.635 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.764 22.644 -9.234 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.228 24.336 -9.112 1.00 0.00 H new ATOM 790 N VAL A 52 21.561 23.462 -6.537 1.00 0.00 N ATOM 791 CA VAL A 52 20.582 24.131 -5.660 1.00 0.00 C ATOM 792 C VAL A 52 21.188 24.318 -4.269 1.00 0.00 C ATOM 793 O VAL A 52 21.898 23.443 -3.773 1.00 0.00 O ATOM 794 CB VAL A 52 19.255 23.339 -5.637 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.268 23.860 -4.581 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.560 23.376 -7.005 1.00 0.00 C ATOM 0 H VAL A 52 22.054 22.699 -6.074 1.00 0.00 H new ATOM 0 HA VAL A 52 20.345 25.122 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 52 19.531 22.316 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.355 23.265 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.719 23.782 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.029 24.903 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.630 22.810 -6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.342 24.409 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.214 22.935 -7.757 1.00 0.00 H new ATOM 806 N ILE A 53 20.914 25.464 -3.638 1.00 0.00 N ATOM 807 CA ILE A 53 21.579 25.908 -2.405 1.00 0.00 C ATOM 808 C ILE A 53 20.644 26.189 -1.228 1.00 0.00 C ATOM 809 O ILE A 53 19.668 26.924 -1.349 1.00 0.00 O ATOM 810 CB ILE A 53 22.502 27.109 -2.754 1.00 0.00 C ATOM 811 CG1 ILE A 53 23.951 26.626 -2.946 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.462 28.320 -1.791 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.598 26.082 -1.667 1.00 0.00 C ATOM 0 H ILE A 53 20.211 26.122 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 53 22.177 25.076 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 53 22.088 27.500 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 53 23.966 25.848 -3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.553 27.453 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 53 23.149 29.089 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.451 28.725 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.758 28.000 -0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.617 25.762 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.616 26.864 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.021 25.233 -1.300 1.00 0.00 H new ATOM 825 N ARG A 54 21.032 25.675 -0.054 1.00 0.00 N ATOM 826 CA ARG A 54 20.441 25.959 1.263 1.00 0.00 C ATOM 827 C ARG A 54 21.551 26.333 2.257 1.00 0.00 C ATOM 828 O ARG A 54 22.034 25.498 3.015 1.00 0.00 O ATOM 829 CB ARG A 54 19.652 24.719 1.736 1.00 0.00 C ATOM 830 CG ARG A 54 18.496 24.259 0.830 1.00 0.00 C ATOM 831 CD ARG A 54 17.334 25.254 0.813 1.00 0.00 C ATOM 832 NE ARG A 54 16.244 24.795 -0.075 1.00 0.00 N ATOM 833 CZ ARG A 54 14.999 25.239 -0.101 1.00 0.00 C ATOM 834 NH1 ARG A 54 14.577 26.170 0.707 1.00 0.00 N ATOM 835 NH2 ARG A 54 14.142 24.750 -0.951 1.00 0.00 N ATOM 0 H ARG A 54 21.807 25.015 0.008 1.00 0.00 H new ATOM 0 HA ARG A 54 19.754 26.803 1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.351 23.890 1.846 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.248 24.928 2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.867 24.121 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.135 23.289 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.950 25.385 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.692 26.228 0.479 1.00 0.00 H new ATOM 0 HE ARG A 54 16.478 24.057 -0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.215 26.581 1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.609 26.488 0.658 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.430 24.020 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.183 25.097 -0.965 1.00 0.00 H new ATOM 849 N ILE A 55 21.993 27.590 2.236 1.00 0.00 N ATOM 850 CA ILE A 55 22.896 28.162 3.260 1.00 0.00 C ATOM 851 C ILE A 55 22.058 28.955 4.280 1.00 0.00 C ATOM 852 O ILE A 55 21.344 29.873 3.868 1.00 0.00 O ATOM 853 CB ILE A 55 23.977 29.062 2.614 1.00 0.00 C ATOM 854 CG1 ILE A 55 24.922 28.265 1.694 1.00 0.00 C ATOM 855 CG2 ILE A 55 24.834 29.765 3.686 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.448 29.106 0.536 1.00 0.00 C ATOM 0 H ILE A 55 21.738 28.254 1.505 1.00 0.00 H new ATOM 0 HA ILE A 55 23.416 27.351 3.770 1.00 0.00 H new ATOM 0 HB ILE A 55 23.436 29.800 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.762 27.889 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.394 27.397 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.584 30.390 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.195 30.387 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.330 29.016 4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.109 28.500 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.611 29.460 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.000 29.960 0.928 1.00 0.00 H new ATOM 868 N PRO A 56 22.150 28.670 5.594 1.00 0.00 N ATOM 869 CA PRO A 56 21.488 29.477 6.619 1.00 0.00 C ATOM 870 C PRO A 56 21.943 30.946 6.589 1.00 0.00 C ATOM 871 O PRO A 56 23.137 31.246 6.524 1.00 0.00 O ATOM 872 CB PRO A 56 21.813 28.808 7.960 1.00 0.00 C ATOM 873 CG PRO A 56 22.114 27.361 7.575 1.00 0.00 C ATOM 874 CD PRO A 56 22.770 27.501 6.204 1.00 0.00 C ATOM 0 HA PRO A 56 20.412 29.514 6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.667 29.279 8.447 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.975 28.872 8.654 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.779 26.882 8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.207 26.758 7.529 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.848 27.632 6.296 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.608 26.609 5.598 1.00 0.00 H new ATOM 882 N GLY A 57 20.981 31.870 6.647 1.00 0.00 N ATOM 883 CA GLY A 57 21.216 33.317 6.709 1.00 0.00 C ATOM 884 C GLY A 57 21.414 34.025 5.360 1.00 0.00 C ATOM 885 O GLY A 57 21.658 35.233 5.365 1.00 0.00 O ATOM 0 H GLY A 57 19.990 31.627 6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 57 20.372 33.781 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 57 22.098 33.496 7.324 1.00 0.00 H new ATOM 889 N GLN A 58 21.297 33.327 4.218 1.00 0.00 N ATOM 890 CA GLN A 58 21.335 33.950 2.882 1.00 0.00 C ATOM 891 C GLN A 58 20.301 33.375 1.889 1.00 0.00 C ATOM 892 O GLN A 58 19.759 32.290 2.127 1.00 0.00 O ATOM 893 CB GLN A 58 22.776 33.914 2.341 1.00 0.00 C ATOM 894 CG GLN A 58 23.251 32.587 1.741 1.00 0.00 C ATOM 895 CD GLN A 58 24.729 32.670 1.341 1.00 0.00 C ATOM 896 OE1 GLN A 58 25.109 32.541 0.184 1.00 0.00 O ATOM 897 NE2 GLN A 58 25.618 32.915 2.285 1.00 0.00 N ATOM 0 H GLN A 58 21.173 32.315 4.194 1.00 0.00 H new ATOM 0 HA GLN A 58 21.029 34.990 2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 58 22.873 34.687 1.578 1.00 0.00 H new ATOM 0 HB3 GLN A 58 23.452 34.182 3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 58 23.110 31.784 2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 58 22.646 32.340 0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 58 25.317 33.025 3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 58 26.607 32.994 2.046 1.00 0.00 H new ATOM 906 N PRO A 59 20.012 34.078 0.773 1.00 0.00 N ATOM 907 CA PRO A 59 19.023 33.652 -0.219 1.00 0.00 C ATOM 908 C PRO A 59 19.335 32.302 -0.879 1.00 0.00 C ATOM 909 O PRO A 59 20.479 32.007 -1.235 1.00 0.00 O ATOM 910 CB PRO A 59 18.977 34.765 -1.274 1.00 0.00 C ATOM 911 CG PRO A 59 19.472 35.997 -0.526 1.00 0.00 C ATOM 912 CD PRO A 59 20.496 35.414 0.443 1.00 0.00 C ATOM 0 HA PRO A 59 18.065 33.498 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.614 34.533 -2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 59 17.968 34.910 -1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.922 36.726 -1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.662 36.505 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.485 35.370 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.584 36.031 1.338 1.00 0.00 H new ATOM 920 N VAL A 60 18.289 31.500 -1.099 1.00 0.00 N ATOM 921 CA VAL A 60 18.341 30.270 -1.907 1.00 0.00 C ATOM 922 C VAL A 60 18.765 30.603 -3.345 1.00 0.00 C ATOM 923 O VAL A 60 18.200 31.496 -3.981 1.00 0.00 O ATOM 924 CB VAL A 60 16.969 29.560 -1.894 1.00 0.00 C ATOM 925 CG1 VAL A 60 16.872 28.372 -2.861 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.651 29.048 -0.484 1.00 0.00 C ATOM 0 H VAL A 60 17.363 31.688 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 60 19.079 29.594 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 60 16.252 30.313 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 60 15.879 27.927 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 60 17.046 28.717 -3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.622 27.626 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 60 15.682 28.550 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 60 17.421 28.342 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 60 16.624 29.888 0.211 1.00 0.00 H new ATOM 936 N VAL A 61 19.742 29.852 -3.863 1.00 0.00 N ATOM 937 CA VAL A 61 20.194 29.898 -5.268 1.00 0.00 C ATOM 938 C VAL A 61 19.788 28.604 -5.980 1.00 0.00 C ATOM 939 O VAL A 61 19.878 27.521 -5.401 1.00 0.00 O ATOM 940 CB VAL A 61 21.714 30.158 -5.337 1.00 0.00 C ATOM 941 CG1 VAL A 61 22.287 30.066 -6.756 1.00 0.00 C ATOM 942 CG2 VAL A 61 22.048 31.544 -4.782 1.00 0.00 C ATOM 0 H VAL A 61 20.259 29.173 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 61 19.710 30.726 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 61 22.170 29.371 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.359 30.260 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 61 22.109 29.068 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.801 30.805 -7.393 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.124 31.709 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.533 32.305 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.726 31.607 -3.743 1.00 0.00 H new ATOM 952 N GLU A 62 19.371 28.702 -7.245 1.00 0.00 N ATOM 953 CA GLU A 62 19.005 27.565 -8.103 1.00 0.00 C ATOM 954 C GLU A 62 19.573 27.794 -9.517 1.00 0.00 C ATOM 955 O GLU A 62 19.177 28.736 -10.207 1.00 0.00 O ATOM 956 CB GLU A 62 17.474 27.413 -8.173 1.00 0.00 C ATOM 957 CG GLU A 62 16.806 27.137 -6.821 1.00 0.00 C ATOM 958 CD GLU A 62 15.286 26.969 -6.988 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.815 25.826 -7.212 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.547 27.980 -6.893 1.00 0.00 O ATOM 0 H GLU A 62 19.275 29.601 -7.718 1.00 0.00 H new ATOM 0 HA GLU A 62 19.423 26.651 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.049 28.323 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.232 26.600 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.230 26.236 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.013 27.957 -6.134 1.00 0.00 H new ATOM 967 N VAL A 63 20.518 26.954 -9.948 1.00 0.00 N ATOM 968 CA VAL A 63 21.232 27.042 -11.233 1.00 0.00 C ATOM 969 C VAL A 63 20.499 26.262 -12.333 1.00 0.00 C ATOM 970 O VAL A 63 19.794 25.293 -12.045 1.00 0.00 O ATOM 971 CB VAL A 63 22.663 26.511 -11.043 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.572 26.733 -12.249 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.385 27.136 -9.844 1.00 0.00 C ATOM 0 H VAL A 63 20.823 26.157 -9.389 1.00 0.00 H new ATOM 0 HA VAL A 63 21.269 28.084 -11.552 1.00 0.00 H new ATOM 0 HB VAL A 63 22.501 25.444 -10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.563 26.331 -12.037 1.00 0.00 H new ATOM 0 HG12 VAL A 63 23.153 26.226 -13.118 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.650 27.801 -12.454 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.389 26.719 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.450 28.215 -9.981 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.830 26.919 -8.931 1.00 0.00 H new ATOM 983 N GLY A 64 20.700 26.622 -13.604 1.00 0.00 N ATOM 984 CA GLY A 64 20.154 25.880 -14.745 1.00 0.00 C ATOM 985 C GLY A 64 18.656 26.126 -14.949 1.00 0.00 C ATOM 986 O GLY A 64 18.269 27.177 -15.470 1.00 0.00 O ATOM 0 H GLY A 64 21.248 27.439 -13.872 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.691 26.166 -15.649 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.326 24.814 -14.596 1.00 0.00 H new ATOM 990 N THR A 65 17.821 25.163 -14.539 1.00 0.00 N ATOM 991 CA THR A 65 16.352 25.208 -14.691 1.00 0.00 C ATOM 992 C THR A 65 15.676 24.515 -13.502 1.00 0.00 C ATOM 993 O THR A 65 16.227 23.585 -12.921 1.00 0.00 O ATOM 994 CB THR A 65 15.883 24.540 -16.008 1.00 0.00 C ATOM 995 OG1 THR A 65 16.695 24.906 -17.108 1.00 0.00 O ATOM 996 CG2 THR A 65 14.452 24.924 -16.396 1.00 0.00 C ATOM 0 H THR A 65 18.149 24.312 -14.083 1.00 0.00 H new ATOM 0 HA THR A 65 16.064 26.259 -14.724 1.00 0.00 H new ATOM 0 HB THR A 65 15.949 23.471 -15.803 1.00 0.00 H new ATOM 0 HG1 THR A 65 16.367 24.463 -17.918 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.181 24.425 -17.326 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.766 24.617 -15.606 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.389 26.004 -16.532 1.00 0.00 H new ATOM 1004 N LYS A 66 14.470 24.940 -13.123 1.00 0.00 N ATOM 1005 CA LYS A 66 13.681 24.281 -12.071 1.00 0.00 C ATOM 1006 C LYS A 66 13.219 22.874 -12.523 1.00 0.00 C ATOM 1007 O LYS A 66 12.630 22.756 -13.602 1.00 0.00 O ATOM 1008 CB LYS A 66 12.488 25.172 -11.672 1.00 0.00 C ATOM 1009 CG LYS A 66 11.666 24.555 -10.528 1.00 0.00 C ATOM 1010 CD LYS A 66 10.438 25.409 -10.183 1.00 0.00 C ATOM 1011 CE LYS A 66 9.597 24.784 -9.057 1.00 0.00 C ATOM 1012 NZ LYS A 66 8.923 23.518 -9.469 1.00 0.00 N ATOM 0 H LYS A 66 14.009 25.751 -13.535 1.00 0.00 H new ATOM 0 HA LYS A 66 14.311 24.143 -11.192 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.854 26.153 -11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.845 25.326 -12.538 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.344 23.553 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.295 24.449 -9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.763 26.405 -9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.820 25.530 -11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.239 24.585 -8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.844 25.502 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.331 23.170 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.327 23.697 -10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.641 22.803 -9.705 1.00 0.00 H new ATOM 1026 N PRO A 67 13.434 21.821 -11.711 1.00 0.00 N ATOM 1027 CA PRO A 67 13.019 20.456 -12.019 1.00 0.00 C ATOM 1028 C PRO A 67 11.532 20.170 -11.749 1.00 0.00 C ATOM 1029 O PRO A 67 10.886 20.795 -10.905 1.00 0.00 O ATOM 1030 CB PRO A 67 13.894 19.564 -11.147 1.00 0.00 C ATOM 1031 CG PRO A 67 14.205 20.427 -9.934 1.00 0.00 C ATOM 1032 CD PRO A 67 14.240 21.840 -10.503 1.00 0.00 C ATOM 0 HA PRO A 67 13.139 20.274 -13.087 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.374 18.649 -10.863 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.804 19.265 -11.668 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.443 20.324 -9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.157 20.153 -9.480 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.844 22.557 -9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.263 22.143 -10.725 1.00 0.00 H new ATOM 1040 N THR A 68 11.010 19.173 -12.470 1.00 0.00 N ATOM 1041 CA THR A 68 9.563 18.855 -12.491 1.00 0.00 C ATOM 1042 C THR A 68 9.086 17.965 -11.327 1.00 0.00 C ATOM 1043 O THR A 68 7.925 18.043 -10.918 1.00 0.00 O ATOM 1044 CB THR A 68 9.202 18.262 -13.866 1.00 0.00 C ATOM 1045 OG1 THR A 68 7.806 18.152 -14.027 1.00 0.00 O ATOM 1046 CG2 THR A 68 9.815 16.880 -14.117 1.00 0.00 C ATOM 0 H THR A 68 11.572 18.558 -13.059 1.00 0.00 H new ATOM 0 HA THR A 68 9.023 19.789 -12.337 1.00 0.00 H new ATOM 0 HB THR A 68 9.621 18.962 -14.589 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.607 17.774 -14.909 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.519 16.524 -15.104 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.902 16.950 -14.068 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.461 16.182 -13.358 1.00 0.00 H new ATOM 1054 N GLY A 69 9.981 17.140 -10.773 1.00 0.00 N ATOM 1055 CA GLY A 69 9.697 16.150 -9.716 1.00 0.00 C ATOM 1056 C GLY A 69 10.157 14.737 -10.092 1.00 0.00 C ATOM 1057 O GLY A 69 10.665 13.990 -9.257 1.00 0.00 O ATOM 0 H GLY A 69 10.961 17.140 -11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.192 16.456 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.626 16.137 -9.513 1.00 0.00 H new ATOM 1061 N ASP A 70 10.071 14.406 -11.384 1.00 0.00 N ATOM 1062 CA ASP A 70 10.645 13.202 -12.003 1.00 0.00 C ATOM 1063 C ASP A 70 12.155 13.372 -12.258 1.00 0.00 C ATOM 1064 O ASP A 70 12.642 13.353 -13.392 1.00 0.00 O ATOM 1065 CB ASP A 70 9.838 12.788 -13.241 1.00 0.00 C ATOM 1066 CG ASP A 70 8.373 12.482 -12.899 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.119 11.376 -12.357 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.482 13.316 -13.186 1.00 0.00 O ATOM 0 H ASP A 70 9.579 14.993 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 70 10.564 12.368 -11.306 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.878 13.586 -13.983 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.295 11.908 -13.694 1.00 0.00 H new ATOM 1073 N VAL A 71 12.891 13.596 -11.164 1.00 0.00 N ATOM 1074 CA VAL A 71 14.320 13.928 -11.137 1.00 0.00 C ATOM 1075 C VAL A 71 15.078 13.154 -10.046 1.00 0.00 C ATOM 1076 O VAL A 71 14.498 12.670 -9.072 1.00 0.00 O ATOM 1077 CB VAL A 71 14.543 15.453 -11.006 1.00 0.00 C ATOM 1078 CG1 VAL A 71 13.942 16.233 -12.193 1.00 0.00 C ATOM 1079 CG2 VAL A 71 14.002 16.026 -9.690 1.00 0.00 C ATOM 0 H VAL A 71 12.487 13.548 -10.229 1.00 0.00 H new ATOM 0 HA VAL A 71 14.735 13.612 -12.094 1.00 0.00 H new ATOM 0 HB VAL A 71 15.625 15.583 -11.010 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.123 17.299 -12.057 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.409 15.901 -13.120 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.868 16.051 -12.242 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.188 17.099 -9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.930 15.841 -9.626 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.503 15.545 -8.850 1.00 0.00 H new ATOM 1089 N LEU A 72 16.394 13.051 -10.219 1.00 0.00 N ATOM 1090 CA LEU A 72 17.367 12.387 -9.346 1.00 0.00 C ATOM 1091 C LEU A 72 18.081 13.406 -8.480 1.00 0.00 C ATOM 1092 O LEU A 72 18.636 14.372 -9.001 1.00 0.00 O ATOM 1093 CB LEU A 72 18.416 11.665 -10.206 1.00 0.00 C ATOM 1094 CG LEU A 72 17.794 10.574 -11.075 1.00 0.00 C ATOM 1095 CD1 LEU A 72 18.819 10.027 -12.060 1.00 0.00 C ATOM 1096 CD2 LEU A 72 17.246 9.434 -10.230 1.00 0.00 C ATOM 0 H LEU A 72 16.846 13.461 -11.037 1.00 0.00 H new ATOM 0 HA LEU A 72 16.836 11.676 -8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.923 12.390 -10.843 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.174 11.224 -9.558 1.00 0.00 H new ATOM 0 HG LEU A 72 16.968 11.026 -11.623 1.00 0.00 H new ATOM 0 HD11 LEU A 72 18.358 9.251 -12.671 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.172 10.833 -12.703 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.661 9.605 -11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.811 8.675 -10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.054 8.992 -9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.480 9.817 -9.556 1.00 0.00 H new ATOM 1108 N GLN A 73 18.078 13.188 -7.170 1.00 0.00 N ATOM 1109 CA GLN A 73 18.534 14.181 -6.187 1.00 0.00 C ATOM 1110 C GLN A 73 19.837 13.769 -5.485 1.00 0.00 C ATOM 1111 O GLN A 73 19.845 12.849 -4.669 1.00 0.00 O ATOM 1112 CB GLN A 73 17.415 14.434 -5.163 1.00 0.00 C ATOM 1113 CG GLN A 73 16.197 15.145 -5.779 1.00 0.00 C ATOM 1114 CD GLN A 73 15.229 15.681 -4.722 1.00 0.00 C ATOM 1115 OE1 GLN A 73 14.984 15.077 -3.685 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.642 16.839 -4.937 1.00 0.00 N ATOM 0 H GLN A 73 17.759 12.315 -6.751 1.00 0.00 H new ATOM 0 HA GLN A 73 18.758 15.103 -6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.098 13.483 -4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.807 15.037 -4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.540 15.970 -6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.668 14.451 -6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.834 17.356 -5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.995 17.219 -4.246 1.00 0.00 H new ATOM 1125 N GLY A 74 20.939 14.462 -5.779 1.00 0.00 N ATOM 1126 CA GLY A 74 22.210 14.357 -5.046 1.00 0.00 C ATOM 1127 C GLY A 74 22.227 15.380 -3.911 1.00 0.00 C ATOM 1128 O GLY A 74 21.656 16.454 -4.077 1.00 0.00 O ATOM 0 H GLY A 74 20.977 15.128 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.329 13.350 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.048 14.532 -5.721 1.00 0.00 H new ATOM 1132 N ARG A 75 22.842 15.094 -2.758 1.00 0.00 N ATOM 1133 CA ARG A 75 22.709 15.942 -1.549 1.00 0.00 C ATOM 1134 C ARG A 75 23.900 15.833 -0.586 1.00 0.00 C ATOM 1135 O ARG A 75 24.387 14.739 -0.308 1.00 0.00 O ATOM 1136 CB ARG A 75 21.387 15.583 -0.839 1.00 0.00 C ATOM 1137 CG ARG A 75 21.024 16.561 0.293 1.00 0.00 C ATOM 1138 CD ARG A 75 19.653 16.214 0.883 1.00 0.00 C ATOM 1139 NE ARG A 75 19.330 17.078 2.037 1.00 0.00 N ATOM 1140 CZ ARG A 75 18.218 17.047 2.754 1.00 0.00 C ATOM 1141 NH1 ARG A 75 17.242 16.229 2.479 1.00 0.00 N ATOM 1142 NH2 ARG A 75 18.066 17.845 3.773 1.00 0.00 N ATOM 0 H ARG A 75 23.442 14.279 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 75 22.699 16.983 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.580 15.569 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.463 14.576 -0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.783 16.521 1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.014 17.582 -0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 75 18.886 16.326 0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.643 15.169 1.194 1.00 0.00 H new ATOM 0 HE ARG A 75 20.033 17.766 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.322 15.587 1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.398 16.231 3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.807 18.500 4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 75 17.206 17.815 4.320 1.00 0.00 H new ATOM 1156 N ALA A 76 24.333 16.982 -0.066 1.00 0.00 N ATOM 1157 CA ALA A 76 25.496 17.109 0.818 1.00 0.00 C ATOM 1158 C ALA A 76 25.353 18.209 1.884 1.00 0.00 C ATOM 1159 O ALA A 76 24.543 19.126 1.754 1.00 0.00 O ATOM 1160 CB ALA A 76 26.718 17.350 -0.076 1.00 0.00 C ATOM 0 H ALA A 76 23.874 17.874 -0.252 1.00 0.00 H new ATOM 0 HA ALA A 76 25.600 16.190 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.609 17.451 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.843 16.508 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.572 18.263 -0.653 1.00 0.00 H new ATOM 1166 N THR A 77 26.208 18.148 2.908 1.00 0.00 N ATOM 1167 CA THR A 77 26.357 19.171 3.958 1.00 0.00 C ATOM 1168 C THR A 77 27.773 19.746 3.881 1.00 0.00 C ATOM 1169 O THR A 77 28.747 18.994 3.795 1.00 0.00 O ATOM 1170 CB THR A 77 26.079 18.584 5.355 1.00 0.00 C ATOM 1171 OG1 THR A 77 24.792 17.999 5.398 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.134 19.625 6.476 1.00 0.00 C ATOM 0 H THR A 77 26.840 17.358 3.038 1.00 0.00 H new ATOM 0 HA THR A 77 25.627 19.964 3.795 1.00 0.00 H new ATOM 0 HB THR A 77 26.867 17.849 5.519 1.00 0.00 H new ATOM 0 HG1 THR A 77 24.631 17.629 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 77 25.929 19.142 7.431 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.125 20.078 6.504 1.00 0.00 H new ATOM 0 HG23 THR A 77 25.387 20.397 6.292 1.00 0.00 H new ATOM 1180 N GLY A 78 27.888 21.074 3.868 1.00 0.00 N ATOM 1181 CA GLY A 78 29.161 21.786 3.749 1.00 0.00 C ATOM 1182 C GLY A 78 29.819 22.149 5.088 1.00 0.00 C ATOM 1183 O GLY A 78 29.270 21.922 6.170 1.00 0.00 O ATOM 0 H GLY A 78 27.084 21.697 3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 78 29.853 21.171 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 78 28.998 22.701 3.179 1.00 0.00 H new ATOM 1187 N GLU A 79 31.030 22.699 5.004 1.00 0.00 N ATOM 1188 CA GLU A 79 31.913 22.914 6.156 1.00 0.00 C ATOM 1189 C GLU A 79 31.623 24.175 7.000 1.00 0.00 C ATOM 1190 O GLU A 79 32.157 24.267 8.109 1.00 0.00 O ATOM 1191 CB GLU A 79 33.380 22.866 5.699 1.00 0.00 C ATOM 1192 CG GLU A 79 33.837 21.494 5.179 1.00 0.00 C ATOM 1193 CD GLU A 79 33.859 20.431 6.295 1.00 0.00 C ATOM 1194 OE1 GLU A 79 34.834 20.397 7.087 1.00 0.00 O ATOM 1195 OE2 GLU A 79 32.912 19.613 6.385 1.00 0.00 O ATOM 0 H GLU A 79 31.434 23.013 4.122 1.00 0.00 H new ATOM 0 HA GLU A 79 31.702 22.095 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.528 23.607 4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.018 23.156 6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 79 33.170 21.168 4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 79 34.833 21.584 4.745 1.00 0.00 H new ATOM 1202 N GLU A 80 30.767 25.114 6.560 1.00 0.00 N ATOM 1203 CA GLU A 80 30.286 26.212 7.424 1.00 0.00 C ATOM 1204 C GLU A 80 28.880 25.927 7.991 1.00 0.00 C ATOM 1205 O GLU A 80 28.274 26.776 8.656 1.00 0.00 O ATOM 1206 CB GLU A 80 30.270 27.524 6.653 1.00 0.00 C ATOM 1207 CG GLU A 80 31.633 27.935 6.097 1.00 0.00 C ATOM 1208 CD GLU A 80 32.563 28.495 7.192 1.00 0.00 C ATOM 1209 OE1 GLU A 80 32.515 29.723 7.452 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.344 27.728 7.806 1.00 0.00 O ATOM 0 H GLU A 80 30.393 25.136 5.611 1.00 0.00 H new ATOM 0 HA GLU A 80 30.978 26.288 8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.563 27.440 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 80 29.903 28.314 7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.106 27.073 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.495 28.687 5.320 1.00 0.00 H new ATOM 1217 N GLY A 81 28.357 24.727 7.732 1.00 0.00 N ATOM 1218 CA GLY A 81 27.060 24.226 8.201 1.00 0.00 C ATOM 1219 C GLY A 81 25.920 24.388 7.191 1.00 0.00 C ATOM 1220 O GLY A 81 24.747 24.331 7.566 1.00 0.00 O ATOM 0 H GLY A 81 28.851 24.042 7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.161 23.170 8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 81 26.793 24.748 9.120 1.00 0.00 H new ATOM 1224 N GLU A 82 26.241 24.607 5.916 1.00 0.00 N ATOM 1225 CA GLU A 82 25.301 24.740 4.810 1.00 0.00 C ATOM 1226 C GLU A 82 24.860 23.392 4.216 1.00 0.00 C ATOM 1227 O GLU A 82 25.378 22.333 4.572 1.00 0.00 O ATOM 1228 CB GLU A 82 25.923 25.657 3.745 1.00 0.00 C ATOM 1229 CG GLU A 82 27.001 25.072 2.810 1.00 0.00 C ATOM 1230 CD GLU A 82 28.443 25.095 3.360 1.00 0.00 C ATOM 1231 OE1 GLU A 82 28.645 24.978 4.591 1.00 0.00 O ATOM 1232 OE2 GLU A 82 29.380 25.140 2.531 1.00 0.00 O ATOM 0 H GLU A 82 27.211 24.701 5.615 1.00 0.00 H new ATOM 0 HA GLU A 82 24.384 25.186 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.114 26.037 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.359 26.514 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 82 26.735 24.040 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 82 26.980 25.624 1.871 1.00 0.00 H new ATOM 1239 N THR A 83 23.930 23.417 3.260 1.00 0.00 N ATOM 1240 CA THR A 83 23.414 22.235 2.551 1.00 0.00 C ATOM 1241 C THR A 83 23.379 22.491 1.040 1.00 0.00 C ATOM 1242 O THR A 83 22.922 23.536 0.575 1.00 0.00 O ATOM 1243 CB THR A 83 22.036 21.840 3.119 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.222 21.186 4.356 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.215 20.891 2.240 1.00 0.00 C ATOM 0 H THR A 83 23.499 24.286 2.945 1.00 0.00 H new ATOM 0 HA THR A 83 24.084 21.390 2.711 1.00 0.00 H new ATOM 0 HB THR A 83 21.482 22.776 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.351 20.932 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.264 20.675 2.727 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.029 21.360 1.274 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.767 19.963 2.093 1.00 0.00 H new ATOM 1253 N VAL A 84 23.867 21.513 0.279 1.00 0.00 N ATOM 1254 CA VAL A 84 23.922 21.502 -1.193 1.00 0.00 C ATOM 1255 C VAL A 84 23.013 20.409 -1.741 1.00 0.00 C ATOM 1256 O VAL A 84 22.972 19.303 -1.205 1.00 0.00 O ATOM 1257 CB VAL A 84 25.374 21.336 -1.687 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.493 21.110 -3.200 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.173 22.599 -1.353 1.00 0.00 C ATOM 0 H VAL A 84 24.255 20.662 0.686 1.00 0.00 H new ATOM 0 HA VAL A 84 23.562 22.460 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 84 25.760 20.450 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.543 21.002 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.953 20.205 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 84 25.067 21.962 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.199 22.483 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.718 23.458 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.172 22.756 -0.274 1.00 0.00 H new ATOM 1269 N LEU A 85 22.330 20.705 -2.846 1.00 0.00 N ATOM 1270 CA LEU A 85 21.494 19.774 -3.598 1.00 0.00 C ATOM 1271 C LEU A 85 21.884 19.821 -5.092 1.00 0.00 C ATOM 1272 O LEU A 85 22.265 20.861 -5.629 1.00 0.00 O ATOM 1273 CB LEU A 85 20.017 20.125 -3.316 1.00 0.00 C ATOM 1274 CG LEU A 85 18.971 19.214 -3.992 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.771 17.900 -3.239 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.612 19.900 -4.037 1.00 0.00 C ATOM 0 H LEU A 85 22.346 21.638 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 85 21.646 18.740 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.855 20.095 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.839 21.151 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 85 19.354 19.014 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.026 17.295 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.715 17.356 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.430 18.110 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.888 19.242 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.283 20.122 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.691 20.827 -4.604 1.00 0.00 H new ATOM 1288 N VAL A 86 21.772 18.677 -5.752 1.00 0.00 N ATOM 1289 CA VAL A 86 21.962 18.450 -7.192 1.00 0.00 C ATOM 1290 C VAL A 86 20.697 17.808 -7.729 1.00 0.00 C ATOM 1291 O VAL A 86 20.184 16.891 -7.094 1.00 0.00 O ATOM 1292 CB VAL A 86 23.167 17.523 -7.447 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.127 16.844 -8.824 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.472 18.312 -7.294 1.00 0.00 C ATOM 0 H VAL A 86 21.528 17.814 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 86 22.160 19.398 -7.693 1.00 0.00 H new ATOM 0 HB VAL A 86 23.115 16.728 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.003 16.206 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.224 16.239 -8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.126 17.605 -9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.320 17.652 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.489 19.130 -8.014 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.537 18.716 -6.284 1.00 0.00 H new ATOM 1304 N GLU A 87 20.223 18.233 -8.897 1.00 0.00 N ATOM 1305 CA GLU A 87 19.042 17.649 -9.540 1.00 0.00 C ATOM 1306 C GLU A 87 19.271 17.412 -11.048 1.00 0.00 C ATOM 1307 O GLU A 87 19.870 18.242 -11.736 1.00 0.00 O ATOM 1308 CB GLU A 87 17.784 18.487 -9.221 1.00 0.00 C ATOM 1309 CG GLU A 87 17.583 18.648 -7.702 1.00 0.00 C ATOM 1310 CD GLU A 87 16.190 19.171 -7.318 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.253 18.344 -7.206 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.041 20.394 -7.078 1.00 0.00 O ATOM 0 H GLU A 87 20.646 18.994 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 87 18.866 16.658 -9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.873 19.470 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.907 18.009 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.746 17.685 -7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.338 19.332 -7.314 1.00 0.00 H new ATOM 1319 N GLU A 88 18.811 16.259 -11.551 1.00 0.00 N ATOM 1320 CA GLU A 88 18.799 15.949 -12.984 1.00 0.00 C ATOM 1321 C GLU A 88 17.639 15.033 -13.415 1.00 0.00 C ATOM 1322 O GLU A 88 17.143 14.276 -12.584 1.00 0.00 O ATOM 1323 CB GLU A 88 20.157 15.371 -13.391 1.00 0.00 C ATOM 1324 CG GLU A 88 20.588 14.087 -12.687 1.00 0.00 C ATOM 1325 CD GLU A 88 21.780 13.444 -13.416 1.00 0.00 C ATOM 1326 OE1 GLU A 88 22.713 14.160 -13.854 1.00 0.00 O ATOM 1327 OE2 GLU A 88 21.814 12.206 -13.584 1.00 0.00 O ATOM 0 H GLU A 88 18.434 15.511 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 88 18.625 16.885 -13.515 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.140 15.183 -14.464 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.918 16.130 -13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 88 20.861 14.306 -11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.754 13.386 -12.654 1.00 0.00 H new ATOM 1334 N PRO A 89 17.180 15.070 -14.682 1.00 0.00 N ATOM 1335 CA PRO A 89 16.043 14.265 -15.138 1.00 0.00 C ATOM 1336 C PRO A 89 16.264 12.748 -14.979 1.00 0.00 C ATOM 1337 O PRO A 89 17.338 12.216 -15.280 1.00 0.00 O ATOM 1338 CB PRO A 89 15.788 14.678 -16.592 1.00 0.00 C ATOM 1339 CG PRO A 89 17.122 15.268 -17.042 1.00 0.00 C ATOM 1340 CD PRO A 89 17.651 15.920 -15.766 1.00 0.00 C ATOM 0 HA PRO A 89 15.168 14.458 -14.517 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.501 13.824 -17.206 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.982 15.409 -16.665 1.00 0.00 H new ATOM 0 HG2 PRO A 89 17.799 14.499 -17.414 1.00 0.00 H new ATOM 0 HG3 PRO A 89 16.993 15.995 -17.844 1.00 0.00 H new ATOM 0 HD2 PRO A 89 18.739 15.980 -15.776 1.00 0.00 H new ATOM 0 HD3 PRO A 89 17.277 16.938 -15.659 1.00 0.00 H new ATOM 1348 N ARG A 90 15.206 12.071 -14.514 1.00 0.00 N ATOM 1349 CA ARG A 90 15.139 10.617 -14.299 1.00 0.00 C ATOM 1350 C ARG A 90 14.995 9.839 -15.619 1.00 0.00 C ATOM 1351 O ARG A 90 14.101 10.172 -16.434 1.00 0.00 O ATOM 1352 CB ARG A 90 14.017 10.303 -13.299 1.00 0.00 C ATOM 1353 CG ARG A 90 14.045 8.841 -12.827 1.00 0.00 C ATOM 1354 CD ARG A 90 12.861 8.544 -11.902 1.00 0.00 C ATOM 1355 NE ARG A 90 11.600 8.461 -12.669 1.00 0.00 N ATOM 1356 CZ ARG A 90 10.475 9.109 -12.442 1.00 0.00 C ATOM 1357 NH1 ARG A 90 10.247 9.791 -11.362 1.00 0.00 N ATOM 1358 NH2 ARG A 90 9.516 9.115 -13.315 1.00 0.00 N ATOM 1359 OXT ARG A 90 15.782 8.889 -15.830 1.00 0.00 O ATOM 0 H ARG A 90 14.335 12.541 -14.266 1.00 0.00 H new ATOM 0 HA ARG A 90 16.083 10.280 -13.872 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.108 10.962 -12.436 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.053 10.514 -13.761 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.014 8.175 -13.690 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.980 8.641 -12.304 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.033 7.606 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.781 9.325 -11.146 1.00 0.00 H new ATOM 0 HE ARG A 90 11.601 7.827 -13.468 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.959 9.846 -10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.356 10.273 -11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.625 8.612 -14.196 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.653 9.622 -13.121 1.00 0.00 H new