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 69:sc= 0.559 USER MOD Single : A 28 SER OG : rot 65:sc= 1.2 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 21:sc= 0.942 USER MOD Single : A 44 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.2) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -4:sc= 0.392 USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 1.09 (180deg=1.04) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.21 K(o=1.2,f=-0.053) 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 23.488 7.041 -6.789 1.00 0.00 N ATOM 171 CA GLU A 13 24.795 7.131 -6.112 1.00 0.00 C ATOM 172 C GLU A 13 25.659 8.274 -6.685 1.00 0.00 C ATOM 173 O GLU A 13 26.162 9.111 -5.944 1.00 0.00 O ATOM 174 CB GLU A 13 25.498 5.765 -6.214 1.00 0.00 C ATOM 175 CG GLU A 13 26.738 5.630 -5.321 1.00 0.00 C ATOM 176 CD GLU A 13 26.352 5.486 -3.836 1.00 0.00 C ATOM 177 OE1 GLU A 13 26.027 4.354 -3.401 1.00 0.00 O ATOM 178 OE2 GLU A 13 26.367 6.499 -3.096 1.00 0.00 O ATOM 0 HA GLU A 13 24.642 7.374 -5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.787 4.982 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.790 5.595 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.319 4.762 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.377 6.504 -5.449 1.00 0.00 H new ATOM 185 N ARG A 14 25.790 8.351 -8.018 1.00 0.00 N ATOM 186 CA ARG A 14 26.661 9.320 -8.724 1.00 0.00 C ATOM 187 C ARG A 14 26.329 10.777 -8.390 1.00 0.00 C ATOM 188 O ARG A 14 27.236 11.592 -8.245 1.00 0.00 O ATOM 189 CB ARG A 14 26.675 9.049 -10.239 1.00 0.00 C ATOM 190 CG ARG A 14 25.336 9.316 -10.943 1.00 0.00 C ATOM 191 CD ARG A 14 25.256 10.680 -11.644 1.00 0.00 C ATOM 192 NE ARG A 14 25.891 10.632 -12.973 1.00 0.00 N ATOM 193 CZ ARG A 14 26.511 11.614 -13.602 1.00 0.00 C ATOM 194 NH1 ARG A 14 26.766 12.775 -13.089 1.00 0.00 N ATOM 195 NH2 ARG A 14 26.928 11.472 -14.823 1.00 0.00 N ATOM 0 H ARG A 14 25.286 7.732 -8.653 1.00 0.00 H new ATOM 0 HA ARG A 14 27.675 9.165 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.444 9.669 -10.700 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.960 8.010 -10.408 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.162 8.531 -11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.533 9.249 -10.209 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.213 10.979 -11.747 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.745 11.437 -11.031 1.00 0.00 H new ATOM 0 HE ARG A 14 25.847 9.738 -13.463 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.482 12.983 -12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 14 27.251 13.482 -13.642 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.779 10.590 -15.314 1.00 0.00 H new ATOM 0 HH22 ARG A 14 27.405 12.242 -15.292 1.00 0.00 H new ATOM 209 N VAL A 15 25.036 11.065 -8.187 1.00 0.00 N ATOM 210 CA VAL A 15 24.560 12.394 -7.765 1.00 0.00 C ATOM 211 C VAL A 15 25.028 12.782 -6.360 1.00 0.00 C ATOM 212 O VAL A 15 25.115 13.970 -6.057 1.00 0.00 O ATOM 213 CB VAL A 15 23.044 12.608 -7.938 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.630 12.511 -9.409 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.190 11.629 -7.132 1.00 0.00 C ATOM 0 H VAL A 15 24.288 10.383 -8.310 1.00 0.00 H new ATOM 0 HA VAL A 15 25.038 13.080 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 15 22.859 13.612 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.555 12.667 -9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.154 13.273 -9.986 1.00 0.00 H new ATOM 0 HG13 VAL A 15 22.886 11.524 -9.795 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.135 11.840 -7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.412 10.609 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.414 11.739 -6.071 1.00 0.00 H new ATOM 225 N ASP A 16 25.402 11.827 -5.505 1.00 0.00 N ATOM 226 CA ASP A 16 25.913 12.159 -4.165 1.00 0.00 C ATOM 227 C ASP A 16 27.315 12.806 -4.212 1.00 0.00 C ATOM 228 O ASP A 16 27.559 13.813 -3.546 1.00 0.00 O ATOM 229 CB ASP A 16 25.910 10.904 -3.285 1.00 0.00 C ATOM 230 CG ASP A 16 26.314 11.218 -1.836 1.00 0.00 C ATOM 231 OD1 ASP A 16 25.431 11.632 -1.048 1.00 0.00 O ATOM 232 OD2 ASP A 16 27.499 11.020 -1.477 1.00 0.00 O ATOM 0 H ASP A 16 25.363 10.828 -5.709 1.00 0.00 H new ATOM 0 HA ASP A 16 25.248 12.904 -3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.916 10.456 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.597 10.167 -3.702 1.00 0.00 H new ATOM 237 N LEU A 17 28.228 12.276 -5.039 1.00 0.00 N ATOM 238 CA LEU A 17 29.640 12.679 -5.053 1.00 0.00 C ATOM 239 C LEU A 17 29.815 14.107 -5.590 1.00 0.00 C ATOM 240 O LEU A 17 30.545 14.916 -5.022 1.00 0.00 O ATOM 241 CB LEU A 17 30.456 11.678 -5.900 1.00 0.00 C ATOM 242 CG LEU A 17 30.718 10.269 -5.328 1.00 0.00 C ATOM 243 CD1 LEU A 17 31.353 10.309 -3.937 1.00 0.00 C ATOM 244 CD2 LEU A 17 29.474 9.384 -5.273 1.00 0.00 C ATOM 0 H LEU A 17 28.005 11.551 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 17 30.009 12.671 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.944 11.558 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.423 12.134 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 17 31.419 9.826 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.516 9.291 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.308 10.833 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.689 10.832 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.738 8.410 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.721 9.854 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.074 9.255 -6.279 1.00 0.00 H new ATOM 256 N GLU A 18 29.080 14.429 -6.652 1.00 0.00 N ATOM 257 CA GLU A 18 28.980 15.779 -7.222 1.00 0.00 C ATOM 258 C GLU A 18 28.369 16.790 -6.233 1.00 0.00 C ATOM 259 O GLU A 18 28.809 17.937 -6.185 1.00 0.00 O ATOM 260 CB GLU A 18 28.235 15.719 -8.567 1.00 0.00 C ATOM 261 CG GLU A 18 26.851 15.071 -8.463 1.00 0.00 C ATOM 262 CD GLU A 18 26.261 14.712 -9.844 1.00 0.00 C ATOM 263 OE1 GLU A 18 26.876 13.912 -10.591 1.00 0.00 O ATOM 264 OE2 GLU A 18 25.142 15.173 -10.159 1.00 0.00 O ATOM 0 H GLU A 18 28.520 13.742 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 18 29.986 16.153 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.127 16.730 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.837 15.161 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 18 26.921 14.169 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.173 15.751 -7.947 1.00 0.00 H new ATOM 271 N ALA A 19 27.440 16.379 -5.360 1.00 0.00 N ATOM 272 CA ALA A 19 26.930 17.238 -4.287 1.00 0.00 C ATOM 273 C ALA A 19 27.991 17.522 -3.208 1.00 0.00 C ATOM 274 O ALA A 19 28.111 18.661 -2.760 1.00 0.00 O ATOM 275 CB ALA A 19 25.653 16.611 -3.713 1.00 0.00 C ATOM 0 H ALA A 19 27.024 15.448 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 19 26.683 18.216 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.265 17.242 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.905 16.523 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.880 15.622 -3.316 1.00 0.00 H new ATOM 281 N VAL A 20 28.818 16.536 -2.835 1.00 0.00 N ATOM 282 CA VAL A 20 29.957 16.728 -1.905 1.00 0.00 C ATOM 283 C VAL A 20 31.051 17.601 -2.536 1.00 0.00 C ATOM 284 O VAL A 20 31.604 18.490 -1.879 1.00 0.00 O ATOM 285 CB VAL A 20 30.510 15.365 -1.429 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.751 15.511 -0.537 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.456 14.605 -0.613 1.00 0.00 C ATOM 0 H VAL A 20 28.722 15.576 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 20 29.593 17.260 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 20 30.776 14.822 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.098 14.524 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.541 16.017 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.497 16.096 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.867 13.649 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.177 15.195 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.575 14.430 -1.230 1.00 0.00 H new ATOM 297 N ARG A 21 31.309 17.434 -3.840 1.00 0.00 N ATOM 298 CA ARG A 21 32.195 18.320 -4.611 1.00 0.00 C ATOM 299 C ARG A 21 31.710 19.769 -4.558 1.00 0.00 C ATOM 300 O ARG A 21 32.495 20.639 -4.213 1.00 0.00 O ATOM 301 CB ARG A 21 32.332 17.774 -6.045 1.00 0.00 C ATOM 302 CG ARG A 21 33.327 18.542 -6.933 1.00 0.00 C ATOM 303 CD ARG A 21 34.748 18.662 -6.361 1.00 0.00 C ATOM 304 NE ARG A 21 35.349 17.341 -6.081 1.00 0.00 N ATOM 305 CZ ARG A 21 36.479 17.107 -5.435 1.00 0.00 C ATOM 306 NH1 ARG A 21 37.223 18.071 -4.970 1.00 0.00 N ATOM 307 NH2 ARG A 21 36.888 15.886 -5.242 1.00 0.00 N ATOM 0 H ARG A 21 30.908 16.677 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 21 33.190 18.331 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.642 16.730 -5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.352 17.792 -6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.382 18.047 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 21 32.936 19.544 -7.108 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.378 19.204 -7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.720 19.249 -5.443 1.00 0.00 H new ATOM 0 HE ARG A 21 34.839 16.525 -6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.939 19.042 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 21 38.089 17.854 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.336 15.102 -5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 21 37.761 15.713 -4.743 1.00 0.00 H new ATOM 321 N LEU A 22 30.421 20.033 -4.769 1.00 0.00 N ATOM 322 CA LEU A 22 29.843 21.378 -4.639 1.00 0.00 C ATOM 323 C LEU A 22 29.790 21.868 -3.197 1.00 0.00 C ATOM 324 O LEU A 22 30.045 23.044 -2.994 1.00 0.00 O ATOM 325 CB LEU A 22 28.493 21.505 -5.351 1.00 0.00 C ATOM 326 CG LEU A 22 28.674 21.931 -6.818 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.091 20.782 -7.729 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.369 22.516 -7.320 1.00 0.00 C ATOM 0 H LEU A 22 29.742 19.320 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 22 30.530 22.049 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.966 20.552 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.873 22.235 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 22 29.478 22.666 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.202 21.149 -8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.041 20.372 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.329 20.003 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.484 22.822 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.582 21.765 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.101 23.382 -6.714 1.00 0.00 H new ATOM 340 N ALA A 23 29.584 21.025 -2.187 1.00 0.00 N ATOM 341 CA ALA A 23 29.758 21.450 -0.793 1.00 0.00 C ATOM 342 C ALA A 23 31.191 21.985 -0.566 1.00 0.00 C ATOM 343 O ALA A 23 31.386 22.983 0.127 1.00 0.00 O ATOM 344 CB ALA A 23 29.386 20.280 0.119 1.00 0.00 C ATOM 0 H ALA A 23 29.299 20.052 -2.302 1.00 0.00 H new ATOM 0 HA ALA A 23 29.096 22.281 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.509 20.577 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.348 19.997 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 23 30.035 19.431 -0.095 1.00 0.00 H new ATOM 350 N SER A 24 32.173 21.400 -1.261 1.00 0.00 N ATOM 351 CA SER A 24 33.562 21.878 -1.307 1.00 0.00 C ATOM 352 C SER A 24 33.747 23.151 -2.156 1.00 0.00 C ATOM 353 O SER A 24 34.491 24.041 -1.734 1.00 0.00 O ATOM 354 CB SER A 24 34.519 20.762 -1.766 1.00 0.00 C ATOM 355 OG SER A 24 34.270 19.535 -1.086 1.00 0.00 O ATOM 0 H SER A 24 32.022 20.561 -1.821 1.00 0.00 H new ATOM 0 HA SER A 24 33.817 22.158 -0.285 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.411 20.610 -2.840 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.549 21.072 -1.590 1.00 0.00 H new ATOM 0 HG SER A 24 33.404 19.174 -1.369 1.00 0.00 H new ATOM 361 N ILE A 25 33.070 23.313 -3.313 1.00 0.00 N ATOM 362 CA ILE A 25 33.238 24.557 -4.096 1.00 0.00 C ATOM 363 C ILE A 25 32.515 25.736 -3.421 1.00 0.00 C ATOM 364 O ILE A 25 33.013 26.860 -3.425 1.00 0.00 O ATOM 365 CB ILE A 25 32.830 24.435 -5.575 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.103 23.082 -6.253 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.583 25.524 -6.359 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.523 22.520 -6.177 1.00 0.00 C ATOM 0 H ILE A 25 32.427 22.630 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 25 34.310 24.752 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 25 31.745 24.543 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.428 22.346 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.835 23.175 -7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.315 25.464 -7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.311 26.506 -5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.657 25.375 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.564 21.563 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.216 23.218 -6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.802 22.377 -5.133 1.00 0.00 H new ATOM 380 N VAL A 26 31.378 25.474 -2.774 1.00 0.00 N ATOM 381 CA VAL A 26 30.645 26.445 -1.952 1.00 0.00 C ATOM 382 C VAL A 26 31.496 26.834 -0.747 1.00 0.00 C ATOM 383 O VAL A 26 31.714 28.021 -0.570 1.00 0.00 O ATOM 384 CB VAL A 26 29.282 25.887 -1.511 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.542 26.856 -0.580 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.356 25.622 -2.713 1.00 0.00 C ATOM 0 H VAL A 26 30.928 24.559 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 26 30.448 27.335 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 26 29.505 24.956 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.584 26.424 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.143 27.034 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.373 27.800 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.403 25.228 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.186 26.553 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.823 24.896 -3.379 1.00 0.00 H new ATOM 396 N ASP A 27 32.080 25.900 0.013 1.00 0.00 N ATOM 397 CA ASP A 27 33.049 26.238 1.072 1.00 0.00 C ATOM 398 C ASP A 27 34.202 27.114 0.547 1.00 0.00 C ATOM 399 O ASP A 27 34.536 28.138 1.146 1.00 0.00 O ATOM 400 CB ASP A 27 33.618 24.958 1.693 1.00 0.00 C ATOM 401 CG ASP A 27 34.788 25.262 2.645 1.00 0.00 C ATOM 402 OD1 ASP A 27 34.612 26.063 3.593 1.00 0.00 O ATOM 403 OD2 ASP A 27 35.880 24.676 2.446 1.00 0.00 O ATOM 0 H ASP A 27 31.900 24.901 -0.083 1.00 0.00 H new ATOM 0 HA ASP A 27 32.513 26.812 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.831 24.436 2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.956 24.288 0.902 1.00 0.00 H new ATOM 408 N SER A 28 34.755 26.772 -0.621 1.00 0.00 N ATOM 409 CA SER A 28 35.806 27.568 -1.276 1.00 0.00 C ATOM 410 C SER A 28 35.343 29.008 -1.567 1.00 0.00 C ATOM 411 O SER A 28 36.116 29.951 -1.402 1.00 0.00 O ATOM 412 CB SER A 28 36.285 26.888 -2.569 1.00 0.00 C ATOM 413 OG SER A 28 36.726 25.560 -2.324 1.00 0.00 O ATOM 0 H SER A 28 34.489 25.936 -1.142 1.00 0.00 H new ATOM 0 HA SER A 28 36.643 27.625 -0.580 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.474 26.875 -3.297 1.00 0.00 H new ATOM 0 HB3 SER A 28 37.097 27.468 -3.007 1.00 0.00 H new ATOM 0 HG SER A 28 35.968 25.012 -2.032 1.00 0.00 H new ATOM 419 N ARG A 29 34.059 29.198 -1.907 1.00 0.00 N ATOM 420 CA ARG A 29 33.397 30.508 -2.054 1.00 0.00 C ATOM 421 C ARG A 29 33.073 31.183 -0.711 1.00 0.00 C ATOM 422 O ARG A 29 33.240 32.398 -0.603 1.00 0.00 O ATOM 423 CB ARG A 29 32.148 30.309 -2.932 1.00 0.00 C ATOM 424 CG ARG A 29 31.405 31.600 -3.281 1.00 0.00 C ATOM 425 CD ARG A 29 32.167 32.524 -4.232 1.00 0.00 C ATOM 426 NE ARG A 29 31.286 33.617 -4.698 1.00 0.00 N ATOM 427 CZ ARG A 29 31.471 34.390 -5.752 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.571 34.350 -6.449 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.554 35.228 -6.131 1.00 0.00 N ATOM 0 H ARG A 29 33.429 28.418 -2.094 1.00 0.00 H new ATOM 0 HA ARG A 29 34.085 31.202 -2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.445 29.814 -3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.461 29.637 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.446 31.344 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.190 32.142 -2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.038 32.940 -3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.536 31.955 -5.086 1.00 0.00 H new ATOM 0 HE ARG A 29 30.446 33.792 -4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.319 33.709 -6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.684 34.960 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.678 35.295 -5.612 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.710 35.820 -6.947 1.00 0.00 H new ATOM 443 N LEU A 30 32.677 30.445 0.330 1.00 0.00 N ATOM 444 CA LEU A 30 32.453 31.010 1.670 1.00 0.00 C ATOM 445 C LEU A 30 33.764 31.519 2.309 1.00 0.00 C ATOM 446 O LEU A 30 33.757 32.529 3.013 1.00 0.00 O ATOM 447 CB LEU A 30 31.723 30.009 2.589 1.00 0.00 C ATOM 448 CG LEU A 30 30.335 29.533 2.113 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.694 28.591 3.140 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.358 30.685 1.845 1.00 0.00 C ATOM 0 H LEU A 30 32.502 29.442 0.271 1.00 0.00 H new ATOM 0 HA LEU A 30 31.803 31.876 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.360 29.134 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.610 30.466 3.572 1.00 0.00 H new ATOM 0 HG LEU A 30 30.516 29.012 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.717 28.271 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.332 27.719 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.577 29.113 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.401 30.281 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 30 29.212 31.259 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.765 31.335 1.071 1.00 0.00 H new ATOM 462 N ILE A 31 34.898 30.880 2.004 1.00 0.00 N ATOM 463 CA ILE A 31 36.248 31.358 2.348 1.00 0.00 C ATOM 464 C ILE A 31 36.673 32.517 1.419 1.00 0.00 C ATOM 465 O ILE A 31 37.275 33.491 1.873 1.00 0.00 O ATOM 466 CB ILE A 31 37.241 30.168 2.292 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.895 29.128 3.386 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.701 30.633 2.458 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.607 27.778 3.214 1.00 0.00 C ATOM 0 H ILE A 31 34.907 29.994 1.499 1.00 0.00 H new ATOM 0 HA ILE A 31 36.249 31.756 3.363 1.00 0.00 H new ATOM 0 HB ILE A 31 37.144 29.708 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 31 37.154 29.542 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.818 28.961 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.365 29.770 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.955 31.328 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.817 31.130 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 31 37.312 27.106 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 31 37.329 27.340 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.686 27.929 3.245 1.00 0.00 H new ATOM 481 N GLY A 32 36.340 32.430 0.124 1.00 0.00 N ATOM 482 CA GLY A 32 36.798 33.334 -0.933 1.00 0.00 C ATOM 483 C GLY A 32 36.182 34.725 -0.872 1.00 0.00 C ATOM 484 O GLY A 32 36.857 35.726 -1.127 1.00 0.00 O ATOM 0 H GLY A 32 35.721 31.699 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.882 33.426 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.569 32.889 -1.901 1.00 0.00 H new ATOM 488 N THR A 33 34.896 34.782 -0.519 1.00 0.00 N ATOM 489 CA THR A 33 34.151 36.041 -0.329 1.00 0.00 C ATOM 490 C THR A 33 33.037 35.979 0.734 1.00 0.00 C ATOM 491 O THR A 33 32.779 36.986 1.398 1.00 0.00 O ATOM 492 CB THR A 33 33.614 36.524 -1.689 1.00 0.00 C ATOM 493 OG1 THR A 33 33.043 37.809 -1.592 1.00 0.00 O ATOM 494 CG2 THR A 33 32.563 35.584 -2.277 1.00 0.00 C ATOM 0 H THR A 33 34.331 33.949 -0.354 1.00 0.00 H new ATOM 0 HA THR A 33 34.859 36.766 0.073 1.00 0.00 H new ATOM 0 HB THR A 33 34.481 36.544 -2.349 1.00 0.00 H new ATOM 0 HG1 THR A 33 32.713 38.088 -2.472 1.00 0.00 H new ATOM 0 HG21 THR A 33 32.221 35.975 -3.235 1.00 0.00 H new ATOM 0 HG22 THR A 33 33.000 34.596 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.718 35.510 -1.593 1.00 0.00 H new ATOM 502 N GLY A 34 32.409 34.812 0.959 1.00 0.00 N ATOM 503 CA GLY A 34 31.401 34.631 2.023 1.00 0.00 C ATOM 504 C GLY A 34 29.939 34.600 1.577 1.00 0.00 C ATOM 505 O GLY A 34 29.035 34.674 2.408 1.00 0.00 O ATOM 0 H GLY A 34 32.584 33.969 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.619 33.699 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.520 35.437 2.747 1.00 0.00 H new ATOM 509 N SER A 35 29.678 34.487 0.274 1.00 0.00 N ATOM 510 CA SER A 35 28.352 34.270 -0.326 1.00 0.00 C ATOM 511 C SER A 35 28.513 33.662 -1.723 1.00 0.00 C ATOM 512 O SER A 35 29.485 33.944 -2.422 1.00 0.00 O ATOM 513 CB SER A 35 27.571 35.588 -0.417 1.00 0.00 C ATOM 514 OG SER A 35 27.129 35.973 0.874 1.00 0.00 O ATOM 0 H SER A 35 30.416 34.546 -0.428 1.00 0.00 H new ATOM 0 HA SER A 35 27.792 33.583 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.203 36.367 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.717 35.470 -1.084 1.00 0.00 H new ATOM 0 HG SER A 35 27.678 35.529 1.554 1.00 0.00 H new ATOM 520 N VAL A 36 27.571 32.812 -2.126 1.00 0.00 N ATOM 521 CA VAL A 36 27.585 32.048 -3.390 1.00 0.00 C ATOM 522 C VAL A 36 26.374 32.416 -4.250 1.00 0.00 C ATOM 523 O VAL A 36 25.279 32.646 -3.732 1.00 0.00 O ATOM 524 CB VAL A 36 27.669 30.540 -3.083 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.407 29.973 -2.435 1.00 0.00 C ATOM 526 CG2 VAL A 36 27.966 29.737 -4.347 1.00 0.00 C ATOM 0 H VAL A 36 26.740 32.623 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 36 28.468 32.309 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 36 28.484 30.443 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.541 28.907 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 36 26.221 30.486 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.558 30.121 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.020 28.677 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.173 29.900 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.918 30.060 -4.768 1.00 0.00 H new ATOM 536 N ASP A 37 26.565 32.491 -5.568 1.00 0.00 N ATOM 537 CA ASP A 37 25.585 33.029 -6.515 1.00 0.00 C ATOM 538 C ASP A 37 25.418 32.098 -7.723 1.00 0.00 C ATOM 539 O ASP A 37 26.320 31.323 -8.050 1.00 0.00 O ATOM 540 CB ASP A 37 26.034 34.426 -6.984 1.00 0.00 C ATOM 541 CG ASP A 37 26.604 35.315 -5.861 1.00 0.00 C ATOM 542 OD1 ASP A 37 27.833 35.256 -5.598 1.00 0.00 O ATOM 543 OD2 ASP A 37 25.825 36.090 -5.254 1.00 0.00 O ATOM 0 H ASP A 37 27.424 32.173 -6.017 1.00 0.00 H new ATOM 0 HA ASP A 37 24.622 33.105 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.790 34.311 -7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.184 34.935 -7.439 1.00 0.00 H new ATOM 548 N GLU A 38 24.281 32.187 -8.418 1.00 0.00 N ATOM 549 CA GLU A 38 23.983 31.317 -9.566 1.00 0.00 C ATOM 550 C GLU A 38 25.077 31.365 -10.646 1.00 0.00 C ATOM 551 O GLU A 38 25.458 30.330 -11.195 1.00 0.00 O ATOM 552 CB GLU A 38 22.636 31.728 -10.180 1.00 0.00 C ATOM 553 CG GLU A 38 22.019 30.593 -11.008 1.00 0.00 C ATOM 554 CD GLU A 38 21.201 31.134 -12.192 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.155 31.794 -11.981 1.00 0.00 O ATOM 556 OE2 GLU A 38 21.635 30.918 -13.350 1.00 0.00 O ATOM 0 H GLU A 38 23.543 32.859 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 38 23.940 30.293 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 38 21.947 32.015 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.777 32.605 -10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.810 29.942 -11.379 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.378 29.984 -10.370 1.00 0.00 H new ATOM 563 N ASP A 39 25.631 32.552 -10.909 1.00 0.00 N ATOM 564 CA ASP A 39 26.700 32.771 -11.886 1.00 0.00 C ATOM 565 C ASP A 39 28.054 32.198 -11.444 1.00 0.00 C ATOM 566 O ASP A 39 28.904 31.947 -12.302 1.00 0.00 O ATOM 567 CB ASP A 39 26.824 34.266 -12.208 1.00 0.00 C ATOM 568 CG ASP A 39 26.938 35.148 -10.954 1.00 0.00 C ATOM 569 OD1 ASP A 39 25.886 35.518 -10.382 1.00 0.00 O ATOM 570 OD2 ASP A 39 28.079 35.478 -10.552 1.00 0.00 O ATOM 0 H ASP A 39 25.341 33.408 -10.436 1.00 0.00 H new ATOM 0 HA ASP A 39 26.419 32.225 -12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.700 34.424 -12.837 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.956 34.580 -12.787 1.00 0.00 H new ATOM 575 N PHE A 40 28.262 31.941 -10.144 1.00 0.00 N ATOM 576 CA PHE A 40 29.427 31.191 -9.689 1.00 0.00 C ATOM 577 C PHE A 40 29.200 29.688 -9.909 1.00 0.00 C ATOM 578 O PHE A 40 30.093 29.006 -10.405 1.00 0.00 O ATOM 579 CB PHE A 40 29.725 31.527 -8.221 1.00 0.00 C ATOM 580 CG PHE A 40 30.904 30.762 -7.654 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.218 31.202 -7.893 1.00 0.00 C ATOM 582 CD2 PHE A 40 30.686 29.595 -6.901 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.309 30.490 -7.360 1.00 0.00 C ATOM 584 CE2 PHE A 40 31.772 28.891 -6.356 1.00 0.00 C ATOM 585 CZ PHE A 40 33.086 29.342 -6.582 1.00 0.00 C ATOM 0 H PHE A 40 27.637 32.243 -9.397 1.00 0.00 H new ATOM 0 HA PHE A 40 30.303 31.477 -10.272 1.00 0.00 H new ATOM 0 HB2 PHE A 40 29.919 32.596 -8.133 1.00 0.00 H new ATOM 0 HB3 PHE A 40 28.841 31.313 -7.621 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.390 32.088 -8.486 1.00 0.00 H new ATOM 0 HD2 PHE A 40 29.679 29.238 -6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.318 30.826 -7.549 1.00 0.00 H new ATOM 0 HE2 PHE A 40 31.599 28.004 -5.764 1.00 0.00 H new ATOM 0 HZ PHE A 40 33.922 28.806 -6.158 1.00 0.00 H new ATOM 595 N LEU A 41 28.006 29.162 -9.591 1.00 0.00 N ATOM 596 CA LEU A 41 27.730 27.711 -9.550 1.00 0.00 C ATOM 597 C LEU A 41 27.477 27.074 -10.919 1.00 0.00 C ATOM 598 O LEU A 41 27.812 25.904 -11.108 1.00 0.00 O ATOM 599 CB LEU A 41 26.566 27.442 -8.573 1.00 0.00 C ATOM 600 CG LEU A 41 26.947 27.575 -7.088 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.705 27.355 -6.226 1.00 0.00 C ATOM 602 CD2 LEU A 41 28.011 26.562 -6.649 1.00 0.00 C ATOM 0 H LEU A 41 27.196 29.734 -9.353 1.00 0.00 H new ATOM 0 HA LEU A 41 28.638 27.226 -9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.755 28.136 -8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.183 26.437 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 41 27.359 28.576 -6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.972 27.449 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.951 28.101 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 41 25.305 26.358 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 41 28.237 26.706 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.636 25.550 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.917 26.708 -7.237 1.00 0.00 H new ATOM 614 N ARG A 42 26.983 27.825 -11.910 1.00 0.00 N ATOM 615 CA ARG A 42 26.905 27.346 -13.311 1.00 0.00 C ATOM 616 C ARG A 42 28.266 26.925 -13.897 1.00 0.00 C ATOM 617 O ARG A 42 28.325 26.076 -14.780 1.00 0.00 O ATOM 618 CB ARG A 42 26.210 28.386 -14.196 1.00 0.00 C ATOM 619 CG ARG A 42 26.968 29.717 -14.226 1.00 0.00 C ATOM 620 CD ARG A 42 26.348 30.712 -15.200 1.00 0.00 C ATOM 621 NE ARG A 42 25.016 31.206 -14.782 1.00 0.00 N ATOM 622 CZ ARG A 42 24.437 32.322 -15.194 1.00 0.00 C ATOM 623 NH1 ARG A 42 25.038 33.167 -15.985 1.00 0.00 N ATOM 624 NH2 ARG A 42 23.229 32.618 -14.820 1.00 0.00 N ATOM 0 H ARG A 42 26.628 28.772 -11.775 1.00 0.00 H new ATOM 0 HA ARG A 42 26.303 26.437 -13.295 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.121 27.997 -15.210 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.197 28.554 -13.830 1.00 0.00 H new ATOM 0 HG2 ARG A 42 26.979 30.149 -13.226 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.006 29.536 -14.506 1.00 0.00 H new ATOM 0 HD2 ARG A 42 27.021 31.562 -15.314 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.260 30.241 -16.179 1.00 0.00 H new ATOM 0 HE ARG A 42 24.498 30.634 -14.116 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.987 32.978 -16.307 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.559 34.017 -16.281 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.717 31.987 -14.203 1.00 0.00 H new ATOM 0 HH22 ARG A 42 22.792 33.481 -15.143 1.00 0.00 H new ATOM 638 N GLU A 43 29.364 27.460 -13.358 1.00 0.00 N ATOM 639 CA GLU A 43 30.746 27.063 -13.704 1.00 0.00 C ATOM 640 C GLU A 43 31.253 25.830 -12.931 1.00 0.00 C ATOM 641 O GLU A 43 32.366 25.352 -13.168 1.00 0.00 O ATOM 642 CB GLU A 43 31.710 28.244 -13.493 1.00 0.00 C ATOM 643 CG GLU A 43 31.222 29.522 -14.179 1.00 0.00 C ATOM 644 CD GLU A 43 32.381 30.507 -14.422 1.00 0.00 C ATOM 645 OE1 GLU A 43 32.877 31.134 -13.453 1.00 0.00 O ATOM 646 OE2 GLU A 43 32.812 30.661 -15.592 1.00 0.00 O ATOM 0 H GLU A 43 29.325 28.197 -12.654 1.00 0.00 H new ATOM 0 HA GLU A 43 30.721 26.779 -14.756 1.00 0.00 H new ATOM 0 HB2 GLU A 43 31.826 28.429 -12.425 1.00 0.00 H new ATOM 0 HB3 GLU A 43 32.694 27.980 -13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.752 29.270 -15.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 30.460 29.999 -13.563 1.00 0.00 H new ATOM 653 N GLN A 44 30.457 25.299 -11.996 1.00 0.00 N ATOM 654 CA GLN A 44 30.847 24.220 -11.076 1.00 0.00 C ATOM 655 C GLN A 44 30.037 22.932 -11.278 1.00 0.00 C ATOM 656 O GLN A 44 30.479 21.879 -10.823 1.00 0.00 O ATOM 657 CB GLN A 44 30.744 24.681 -9.611 1.00 0.00 C ATOM 658 CG GLN A 44 31.371 26.055 -9.338 1.00 0.00 C ATOM 659 CD GLN A 44 32.820 26.230 -9.795 1.00 0.00 C ATOM 660 OE1 GLN A 44 33.558 25.300 -10.094 1.00 0.00 O ATOM 661 NE2 GLN A 44 33.298 27.447 -9.832 1.00 0.00 N ATOM 0 H GLN A 44 29.498 25.615 -11.853 1.00 0.00 H new ATOM 0 HA GLN A 44 31.885 23.986 -11.311 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.693 24.710 -9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.228 23.940 -8.974 1.00 0.00 H new ATOM 0 HG2 GLN A 44 30.762 26.815 -9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.322 26.249 -8.266 1.00 0.00 H new ATOM 0 HE21 GLN A 44 32.701 28.237 -9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.268 27.606 -10.106 1.00 0.00 H new ATOM 670 N ILE A 45 28.892 22.988 -11.982 1.00 0.00 N ATOM 671 CA ILE A 45 28.113 21.795 -12.353 1.00 0.00 C ATOM 672 C ILE A 45 28.957 20.827 -13.174 1.00 0.00 C ATOM 673 O ILE A 45 29.241 19.722 -12.714 1.00 0.00 O ATOM 674 CB ILE A 45 26.814 22.117 -13.128 1.00 0.00 C ATOM 675 CG1 ILE A 45 26.853 23.380 -14.013 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.659 22.195 -12.135 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.673 23.473 -14.989 1.00 0.00 C ATOM 0 H ILE A 45 28.481 23.862 -12.309 1.00 0.00 H new ATOM 0 HA ILE A 45 27.822 21.335 -11.409 1.00 0.00 H new ATOM 0 HB ILE A 45 26.681 21.303 -13.840 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.858 24.263 -13.374 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.785 23.391 -14.578 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.736 22.422 -12.668 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.556 21.239 -11.621 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.859 22.980 -11.405 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.761 24.384 -15.581 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.680 22.608 -15.652 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.738 23.494 -14.429 1.00 0.00 H new ATOM 735 N ARG A 49 22.764 18.717 -14.412 1.00 0.00 N ATOM 736 CA ARG A 49 21.807 19.701 -14.942 1.00 0.00 C ATOM 737 C ARG A 49 21.682 20.919 -14.030 1.00 0.00 C ATOM 738 O ARG A 49 21.981 22.032 -14.469 1.00 0.00 O ATOM 739 CB ARG A 49 20.438 19.036 -15.211 1.00 0.00 C ATOM 740 CG ARG A 49 20.038 19.008 -16.695 1.00 0.00 C ATOM 741 CD ARG A 49 21.050 18.343 -17.643 1.00 0.00 C ATOM 742 NE ARG A 49 21.479 17.004 -17.187 1.00 0.00 N ATOM 743 CZ ARG A 49 21.855 15.979 -17.926 1.00 0.00 C ATOM 744 NH1 ARG A 49 21.817 15.999 -19.230 1.00 0.00 N ATOM 745 NH2 ARG A 49 22.286 14.903 -17.345 1.00 0.00 N ATOM 0 HA ARG A 49 22.192 20.067 -15.894 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.461 18.014 -14.832 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.671 19.567 -14.648 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.085 18.487 -16.786 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.874 20.033 -17.028 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.607 18.258 -18.635 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.925 18.985 -17.739 1.00 0.00 H new ATOM 0 HE ARG A 49 21.485 16.855 -16.178 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.486 16.831 -19.718 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.118 15.182 -19.762 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.331 14.856 -16.327 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.580 14.103 -17.906 1.00 0.00 H new ATOM 759 N TYR A 50 21.263 20.724 -12.776 1.00 0.00 N ATOM 760 CA TYR A 50 20.898 21.825 -11.873 1.00 0.00 C ATOM 761 C TYR A 50 21.639 21.735 -10.529 1.00 0.00 C ATOM 762 O TYR A 50 21.603 20.690 -9.881 1.00 0.00 O ATOM 763 CB TYR A 50 19.368 21.797 -11.660 1.00 0.00 C ATOM 764 CG TYR A 50 18.526 21.484 -12.892 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.743 22.174 -14.101 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.515 20.506 -12.826 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.959 21.897 -15.237 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.724 20.223 -13.958 1.00 0.00 C ATOM 769 CZ TYR A 50 16.943 20.917 -15.166 1.00 0.00 C ATOM 770 OH TYR A 50 16.173 20.642 -16.254 1.00 0.00 O ATOM 0 H TYR A 50 21.167 19.799 -12.356 1.00 0.00 H new ATOM 0 HA TYR A 50 21.195 22.770 -12.328 1.00 0.00 H new ATOM 0 HB2 TYR A 50 19.142 21.057 -10.892 1.00 0.00 H new ATOM 0 HB3 TYR A 50 19.058 22.766 -11.269 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.519 22.923 -14.157 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.345 19.970 -11.904 1.00 0.00 H new ATOM 0 HE1 TYR A 50 18.133 22.431 -16.159 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.949 19.473 -13.900 1.00 0.00 H new ATOM 0 HH TYR A 50 15.526 19.942 -16.028 1.00 0.00 H new ATOM 780 N ALA A 51 22.290 22.815 -10.075 1.00 0.00 N ATOM 781 CA ALA A 51 22.831 22.907 -8.706 1.00 0.00 C ATOM 782 C ALA A 51 21.928 23.809 -7.843 1.00 0.00 C ATOM 783 O ALA A 51 21.384 24.789 -8.351 1.00 0.00 O ATOM 784 CB ALA A 51 24.277 23.411 -8.755 1.00 0.00 C ATOM 0 H ALA A 51 22.457 23.647 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 51 22.842 21.920 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.674 23.478 -7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.884 22.718 -9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.303 24.396 -9.221 1.00 0.00 H new ATOM 790 N VAL A 52 21.742 23.492 -6.560 1.00 0.00 N ATOM 791 CA VAL A 52 20.766 24.159 -5.676 1.00 0.00 C ATOM 792 C VAL A 52 21.357 24.365 -4.278 1.00 0.00 C ATOM 793 O VAL A 52 22.053 23.499 -3.745 1.00 0.00 O ATOM 794 CB VAL A 52 19.434 23.373 -5.634 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.398 24.026 -4.707 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.793 23.250 -7.024 1.00 0.00 C ATOM 0 H VAL A 52 22.270 22.755 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 52 20.544 25.145 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 52 19.701 22.387 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.481 23.436 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.794 24.071 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.182 25.035 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.860 22.691 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.588 24.245 -7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.475 22.727 -7.694 1.00 0.00 H new ATOM 806 N ILE A 53 21.083 25.522 -3.670 1.00 0.00 N ATOM 807 CA ILE A 53 21.720 25.998 -2.433 1.00 0.00 C ATOM 808 C ILE A 53 20.755 26.118 -1.254 1.00 0.00 C ATOM 809 O ILE A 53 19.709 26.750 -1.365 1.00 0.00 O ATOM 810 CB ILE A 53 22.471 27.325 -2.744 1.00 0.00 C ATOM 811 CG1 ILE A 53 23.962 27.047 -3.000 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.313 28.471 -1.715 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.693 26.445 -1.794 1.00 0.00 C ATOM 0 H ILE A 53 20.390 26.176 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 53 22.438 25.248 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 53 21.977 27.701 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 53 24.055 26.367 -3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.453 27.978 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 53 22.884 29.339 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.260 28.740 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.684 28.142 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.739 26.276 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.632 27.133 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 53 24.228 25.497 -1.523 1.00 0.00 H new ATOM 825 N ARG A 54 21.161 25.579 -0.098 1.00 0.00 N ATOM 826 CA ARG A 54 20.479 25.720 1.200 1.00 0.00 C ATOM 827 C ARG A 54 21.496 26.134 2.277 1.00 0.00 C ATOM 828 O ARG A 54 21.935 25.331 3.095 1.00 0.00 O ATOM 829 CB ARG A 54 19.776 24.394 1.551 1.00 0.00 C ATOM 830 CG ARG A 54 18.775 23.848 0.516 1.00 0.00 C ATOM 831 CD ARG A 54 17.530 24.727 0.345 1.00 0.00 C ATOM 832 NE ARG A 54 16.653 24.205 -0.726 1.00 0.00 N ATOM 833 CZ ARG A 54 15.754 23.237 -0.638 1.00 0.00 C ATOM 834 NH1 ARG A 54 15.527 22.595 0.472 1.00 0.00 N ATOM 835 NH2 ARG A 54 15.060 22.885 -1.683 1.00 0.00 N ATOM 0 H ARG A 54 22.006 25.010 -0.036 1.00 0.00 H new ATOM 0 HA ARG A 54 19.720 26.500 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.542 23.636 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.250 24.527 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.277 23.751 -0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.465 22.847 0.816 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.978 24.768 1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.831 25.747 0.108 1.00 0.00 H new ATOM 0 HE ARG A 54 16.753 24.643 -1.642 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.051 22.832 1.315 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.826 21.855 0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.208 23.356 -2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.369 22.138 -1.608 1.00 0.00 H new ATOM 849 N ILE A 55 21.910 27.399 2.256 1.00 0.00 N ATOM 850 CA ILE A 55 22.753 28.004 3.310 1.00 0.00 C ATOM 851 C ILE A 55 21.839 28.681 4.352 1.00 0.00 C ATOM 852 O ILE A 55 20.967 29.457 3.954 1.00 0.00 O ATOM 853 CB ILE A 55 23.760 29.006 2.690 1.00 0.00 C ATOM 854 CG1 ILE A 55 24.820 28.283 1.834 1.00 0.00 C ATOM 855 CG2 ILE A 55 24.485 29.837 3.769 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.394 29.155 0.721 1.00 0.00 C ATOM 0 H ILE A 55 21.673 28.047 1.505 1.00 0.00 H new ATOM 0 HA ILE A 55 23.338 27.232 3.809 1.00 0.00 H new ATOM 0 HB ILE A 55 23.172 29.674 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.632 27.949 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.375 27.391 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.181 30.526 3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.753 30.403 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.034 29.170 4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.133 28.586 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.591 29.468 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 55 25.868 30.035 1.156 1.00 0.00 H new ATOM 868 N PRO A 56 22.021 28.448 5.668 1.00 0.00 N ATOM 869 CA PRO A 56 21.233 29.127 6.697 1.00 0.00 C ATOM 870 C PRO A 56 21.536 30.637 6.734 1.00 0.00 C ATOM 871 O PRO A 56 22.692 31.060 6.656 1.00 0.00 O ATOM 872 CB PRO A 56 21.578 28.419 8.013 1.00 0.00 C ATOM 873 CG PRO A 56 22.989 27.882 7.772 1.00 0.00 C ATOM 874 CD PRO A 56 22.978 27.537 6.284 1.00 0.00 C ATOM 0 HA PRO A 56 20.163 29.066 6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.550 29.107 8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.875 27.615 8.232 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.749 28.626 8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 56 23.198 27.007 8.387 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.969 27.659 5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.686 26.499 6.126 1.00 0.00 H new ATOM 882 N GLY A 57 20.490 31.460 6.852 1.00 0.00 N ATOM 883 CA GLY A 57 20.580 32.926 6.912 1.00 0.00 C ATOM 884 C GLY A 57 20.561 33.648 5.556 1.00 0.00 C ATOM 885 O GLY A 57 20.606 34.880 5.534 1.00 0.00 O ATOM 0 H GLY A 57 19.531 31.118 6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 57 19.751 33.299 7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 57 21.499 33.195 7.434 1.00 0.00 H new ATOM 889 N GLN A 58 20.469 32.920 4.432 1.00 0.00 N ATOM 890 CA GLN A 58 20.309 33.488 3.081 1.00 0.00 C ATOM 891 C GLN A 58 19.265 32.712 2.239 1.00 0.00 C ATOM 892 O GLN A 58 18.996 31.543 2.534 1.00 0.00 O ATOM 893 CB GLN A 58 21.695 33.586 2.411 1.00 0.00 C ATOM 894 CG GLN A 58 22.243 32.266 1.863 1.00 0.00 C ATOM 895 CD GLN A 58 23.603 32.448 1.186 1.00 0.00 C ATOM 896 OE1 GLN A 58 23.765 32.263 -0.012 1.00 0.00 O ATOM 897 NE2 GLN A 58 24.635 32.818 1.917 1.00 0.00 N ATOM 0 H GLN A 58 20.504 31.901 4.435 1.00 0.00 H new ATOM 0 HA GLN A 58 19.901 34.496 3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 58 21.637 34.305 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 58 22.405 33.984 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 58 22.336 31.546 2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 58 21.535 31.848 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 58 24.520 32.977 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 58 25.549 32.945 1.482 1.00 0.00 H new ATOM 906 N PRO A 59 18.664 33.320 1.197 1.00 0.00 N ATOM 907 CA PRO A 59 17.666 32.654 0.356 1.00 0.00 C ATOM 908 C PRO A 59 18.276 31.570 -0.551 1.00 0.00 C ATOM 909 O PRO A 59 19.442 31.643 -0.953 1.00 0.00 O ATOM 910 CB PRO A 59 17.007 33.774 -0.456 1.00 0.00 C ATOM 911 CG PRO A 59 18.117 34.816 -0.577 1.00 0.00 C ATOM 912 CD PRO A 59 18.837 34.703 0.766 1.00 0.00 C ATOM 0 HA PRO A 59 16.941 32.115 0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.677 33.422 -1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.130 34.177 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 59 18.784 34.601 -1.412 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.716 35.817 -0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.893 34.951 0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.415 35.395 1.495 1.00 0.00 H new ATOM 920 N VAL A 60 17.460 30.572 -0.910 1.00 0.00 N ATOM 921 CA VAL A 60 17.797 29.524 -1.895 1.00 0.00 C ATOM 922 C VAL A 60 18.205 30.121 -3.252 1.00 0.00 C ATOM 923 O VAL A 60 17.565 31.035 -3.778 1.00 0.00 O ATOM 924 CB VAL A 60 16.646 28.498 -2.043 1.00 0.00 C ATOM 925 CG1 VAL A 60 15.276 29.133 -2.330 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.894 27.451 -3.141 1.00 0.00 C ATOM 0 H VAL A 60 16.525 30.463 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 60 18.666 28.988 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 60 16.630 28.019 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.524 28.350 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 60 15.007 29.802 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 60 15.325 29.698 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 60 16.048 26.766 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 60 17.009 27.952 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 60 17.801 26.892 -2.912 1.00 0.00 H new ATOM 936 N VAL A 61 19.266 29.550 -3.829 1.00 0.00 N ATOM 937 CA VAL A 61 19.732 29.787 -5.207 1.00 0.00 C ATOM 938 C VAL A 61 19.600 28.478 -5.984 1.00 0.00 C ATOM 939 O VAL A 61 19.867 27.411 -5.435 1.00 0.00 O ATOM 940 CB VAL A 61 21.178 30.335 -5.216 1.00 0.00 C ATOM 941 CG1 VAL A 61 21.739 30.516 -6.631 1.00 0.00 C ATOM 942 CG2 VAL A 61 21.267 31.691 -4.504 1.00 0.00 C ATOM 0 H VAL A 61 19.852 28.880 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 61 19.120 30.549 -5.690 1.00 0.00 H new ATOM 0 HB VAL A 61 21.770 29.585 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 61 22.756 30.903 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.745 29.555 -7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.115 31.219 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.297 32.048 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.622 32.410 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.946 31.580 -3.468 1.00 0.00 H new ATOM 952 N GLU A 62 19.191 28.540 -7.250 1.00 0.00 N ATOM 953 CA GLU A 62 18.992 27.371 -8.117 1.00 0.00 C ATOM 954 C GLU A 62 19.492 27.662 -9.544 1.00 0.00 C ATOM 955 O GLU A 62 19.082 28.633 -10.183 1.00 0.00 O ATOM 956 CB GLU A 62 17.522 26.901 -8.073 1.00 0.00 C ATOM 957 CG GLU A 62 16.471 28.006 -8.294 1.00 0.00 C ATOM 958 CD GLU A 62 15.018 27.489 -8.245 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.691 26.571 -7.454 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.157 28.042 -8.971 1.00 0.00 O ATOM 0 H GLU A 62 18.983 29.423 -7.716 1.00 0.00 H new ATOM 0 HA GLU A 62 19.592 26.542 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.381 26.131 -8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.336 26.433 -7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.600 28.777 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.648 28.478 -9.260 1.00 0.00 H new ATOM 967 N VAL A 63 20.419 26.834 -10.032 1.00 0.00 N ATOM 968 CA VAL A 63 21.159 26.992 -11.292 1.00 0.00 C ATOM 969 C VAL A 63 20.499 26.196 -12.425 1.00 0.00 C ATOM 970 O VAL A 63 19.856 25.175 -12.175 1.00 0.00 O ATOM 971 CB VAL A 63 22.605 26.516 -11.060 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.539 26.771 -12.241 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.267 27.173 -9.844 1.00 0.00 C ATOM 0 H VAL A 63 20.690 25.987 -9.532 1.00 0.00 H new ATOM 0 HA VAL A 63 21.153 28.039 -11.594 1.00 0.00 H new ATOM 0 HB VAL A 63 22.481 25.444 -10.905 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.538 26.408 -12.000 1.00 0.00 H new ATOM 0 HG12 VAL A 63 23.165 26.247 -13.120 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.582 27.841 -12.447 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.284 26.796 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.294 28.254 -9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.695 26.938 -8.947 1.00 0.00 H new ATOM 983 N GLY A 64 20.700 26.600 -13.683 1.00 0.00 N ATOM 984 CA GLY A 64 20.229 25.850 -14.851 1.00 0.00 C ATOM 985 C GLY A 64 18.733 26.051 -15.112 1.00 0.00 C ATOM 986 O GLY A 64 18.342 27.004 -15.789 1.00 0.00 O ATOM 0 H GLY A 64 21.196 27.459 -13.921 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.793 26.161 -15.730 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.429 24.789 -14.703 1.00 0.00 H new ATOM 990 N THR A 65 17.878 25.152 -14.615 1.00 0.00 N ATOM 991 CA THR A 65 16.402 25.274 -14.677 1.00 0.00 C ATOM 992 C THR A 65 15.762 24.525 -13.500 1.00 0.00 C ATOM 993 O THR A 65 16.304 23.543 -13.008 1.00 0.00 O ATOM 994 CB THR A 65 15.852 24.742 -16.020 1.00 0.00 C ATOM 995 OG1 THR A 65 16.468 25.414 -17.101 1.00 0.00 O ATOM 996 CG2 THR A 65 14.347 24.947 -16.211 1.00 0.00 C ATOM 0 H THR A 65 18.189 24.300 -14.148 1.00 0.00 H new ATOM 0 HA THR A 65 16.144 26.331 -14.607 1.00 0.00 H new ATOM 0 HB THR A 65 16.067 23.674 -15.997 1.00 0.00 H new ATOM 0 HG1 THR A 65 17.056 26.118 -16.756 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.045 24.545 -17.178 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.806 24.430 -15.418 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.117 26.012 -16.172 1.00 0.00 H new ATOM 1004 N LYS A 66 14.602 24.976 -13.016 1.00 0.00 N ATOM 1005 CA LYS A 66 13.902 24.356 -11.880 1.00 0.00 C ATOM 1006 C LYS A 66 13.336 22.968 -12.260 1.00 0.00 C ATOM 1007 O LYS A 66 12.588 22.876 -13.241 1.00 0.00 O ATOM 1008 CB LYS A 66 12.807 25.311 -11.375 1.00 0.00 C ATOM 1009 CG LYS A 66 12.348 24.951 -9.955 1.00 0.00 C ATOM 1010 CD LYS A 66 11.209 25.874 -9.498 1.00 0.00 C ATOM 1011 CE LYS A 66 10.953 25.752 -7.989 1.00 0.00 C ATOM 1012 NZ LYS A 66 11.911 26.571 -7.197 1.00 0.00 N ATOM 0 H LYS A 66 14.116 25.786 -13.401 1.00 0.00 H new ATOM 0 HA LYS A 66 14.610 24.186 -11.069 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.183 26.334 -11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.954 25.277 -12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.014 23.914 -9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.188 25.034 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.456 26.907 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.298 25.626 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.934 26.069 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.035 24.707 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.807 26.346 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.883 26.359 -7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.713 27.581 -7.349 1.00 0.00 H new ATOM 1026 N PRO A 67 13.661 21.891 -11.518 1.00 0.00 N ATOM 1027 CA PRO A 67 13.259 20.524 -11.843 1.00 0.00 C ATOM 1028 C PRO A 67 11.800 20.188 -11.502 1.00 0.00 C ATOM 1029 O PRO A 67 11.194 20.742 -10.583 1.00 0.00 O ATOM 1030 CB PRO A 67 14.204 19.619 -11.066 1.00 0.00 C ATOM 1031 CG PRO A 67 14.605 20.459 -9.862 1.00 0.00 C ATOM 1032 CD PRO A 67 14.587 21.885 -10.400 1.00 0.00 C ATOM 0 HA PRO A 67 13.320 20.386 -12.923 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.713 18.694 -10.763 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.071 19.338 -11.664 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.907 20.333 -9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.592 20.183 -9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.269 22.587 -9.629 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.583 22.192 -10.719 1.00 0.00 H new ATOM 1040 N THR A 68 11.264 19.215 -12.246 1.00 0.00 N ATOM 1041 CA THR A 68 9.817 18.895 -12.235 1.00 0.00 C ATOM 1042 C THR A 68 9.359 17.974 -11.090 1.00 0.00 C ATOM 1043 O THR A 68 8.233 18.096 -10.603 1.00 0.00 O ATOM 1044 CB THR A 68 9.411 18.355 -13.620 1.00 0.00 C ATOM 1045 OG1 THR A 68 8.012 18.221 -13.725 1.00 0.00 O ATOM 1046 CG2 THR A 68 10.045 17.002 -13.963 1.00 0.00 C ATOM 0 H THR A 68 11.811 18.625 -12.873 1.00 0.00 H new ATOM 0 HA THR A 68 9.289 19.826 -12.029 1.00 0.00 H new ATOM 0 HB THR A 68 9.783 19.095 -14.328 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.782 17.878 -14.614 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.714 16.685 -14.952 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.131 17.097 -13.957 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.742 16.260 -13.224 1.00 0.00 H new ATOM 1054 N GLY A 69 10.234 17.070 -10.634 1.00 0.00 N ATOM 1055 CA GLY A 69 9.939 16.034 -9.622 1.00 0.00 C ATOM 1056 C GLY A 69 10.404 14.638 -10.043 1.00 0.00 C ATOM 1057 O GLY A 69 10.889 13.856 -9.226 1.00 0.00 O ATOM 0 H GLY A 69 11.198 17.033 -10.966 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.421 16.304 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.865 16.012 -9.434 1.00 0.00 H new ATOM 1061 N ASP A 70 10.335 14.366 -11.347 1.00 0.00 N ATOM 1062 CA ASP A 70 10.915 13.193 -12.016 1.00 0.00 C ATOM 1063 C ASP A 70 12.433 13.379 -12.213 1.00 0.00 C ATOM 1064 O ASP A 70 12.958 13.391 -13.330 1.00 0.00 O ATOM 1065 CB ASP A 70 10.160 12.897 -13.317 1.00 0.00 C ATOM 1066 CG ASP A 70 8.643 12.756 -13.107 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.201 11.692 -12.608 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.887 13.696 -13.452 1.00 0.00 O ATOM 0 H ASP A 70 9.852 14.984 -11.999 1.00 0.00 H new ATOM 0 HA ASP A 70 10.797 12.313 -11.384 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.350 13.697 -14.032 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.548 11.978 -13.756 1.00 0.00 H new ATOM 1073 N VAL A 71 13.137 13.598 -11.097 1.00 0.00 N ATOM 1074 CA VAL A 71 14.559 13.950 -11.023 1.00 0.00 C ATOM 1075 C VAL A 71 15.276 13.173 -9.903 1.00 0.00 C ATOM 1076 O VAL A 71 14.665 12.749 -8.920 1.00 0.00 O ATOM 1077 CB VAL A 71 14.761 15.479 -10.876 1.00 0.00 C ATOM 1078 CG1 VAL A 71 14.217 16.265 -12.091 1.00 0.00 C ATOM 1079 CG2 VAL A 71 14.164 16.047 -9.583 1.00 0.00 C ATOM 0 H VAL A 71 12.708 13.531 -10.174 1.00 0.00 H new ATOM 0 HA VAL A 71 15.016 13.653 -11.967 1.00 0.00 H new ATOM 0 HB VAL A 71 15.842 15.613 -10.829 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.383 17.331 -11.938 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.735 15.943 -12.994 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.149 16.076 -12.198 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.340 17.122 -9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.091 15.854 -9.562 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.635 15.569 -8.724 1.00 0.00 H new ATOM 1089 N LEU A 72 16.586 12.991 -10.059 1.00 0.00 N ATOM 1090 CA LEU A 72 17.522 12.414 -9.086 1.00 0.00 C ATOM 1091 C LEU A 72 18.049 13.520 -8.182 1.00 0.00 C ATOM 1092 O LEU A 72 18.365 14.599 -8.683 1.00 0.00 O ATOM 1093 CB LEU A 72 18.727 11.813 -9.833 1.00 0.00 C ATOM 1094 CG LEU A 72 18.355 10.651 -10.749 1.00 0.00 C ATOM 1095 CD1 LEU A 72 19.405 10.452 -11.840 1.00 0.00 C ATOM 1096 CD2 LEU A 72 18.233 9.361 -9.946 1.00 0.00 C ATOM 0 H LEU A 72 17.056 13.259 -10.924 1.00 0.00 H new ATOM 0 HA LEU A 72 17.007 11.649 -8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.204 12.594 -10.425 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.462 11.471 -9.105 1.00 0.00 H new ATOM 0 HG LEU A 72 17.399 10.892 -11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.114 9.617 -12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.482 11.358 -12.441 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.370 10.238 -11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.967 8.541 -10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.185 9.142 -9.463 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.459 9.477 -9.187 1.00 0.00 H new ATOM 1108 N GLN A 73 18.200 13.260 -6.883 1.00 0.00 N ATOM 1109 CA GLN A 73 18.630 14.282 -5.916 1.00 0.00 C ATOM 1110 C GLN A 73 19.919 13.874 -5.192 1.00 0.00 C ATOM 1111 O GLN A 73 19.927 12.935 -4.398 1.00 0.00 O ATOM 1112 CB GLN A 73 17.495 14.548 -4.912 1.00 0.00 C ATOM 1113 CG GLN A 73 16.310 15.286 -5.558 1.00 0.00 C ATOM 1114 CD GLN A 73 15.329 15.840 -4.525 1.00 0.00 C ATOM 1115 OE1 GLN A 73 15.069 15.258 -3.478 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.748 16.993 -4.773 1.00 0.00 N ATOM 0 H GLN A 73 18.030 12.343 -6.469 1.00 0.00 H new ATOM 0 HA GLN A 73 18.851 15.200 -6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.149 13.601 -4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.879 15.138 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.687 16.105 -6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.783 14.605 -6.226 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.953 17.491 -5.639 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.093 17.389 -4.099 1.00 0.00 H new ATOM 1125 N GLY A 74 21.010 14.594 -5.453 1.00 0.00 N ATOM 1126 CA GLY A 74 22.269 14.509 -4.711 1.00 0.00 C ATOM 1127 C GLY A 74 22.258 15.531 -3.581 1.00 0.00 C ATOM 1128 O GLY A 74 21.727 16.619 -3.781 1.00 0.00 O ATOM 0 H GLY A 74 21.043 15.275 -6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.399 13.505 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.111 14.696 -5.378 1.00 0.00 H new ATOM 1132 N ARG A 75 22.820 15.225 -2.407 1.00 0.00 N ATOM 1133 CA ARG A 75 22.681 16.064 -1.197 1.00 0.00 C ATOM 1134 C ARG A 75 23.885 15.931 -0.253 1.00 0.00 C ATOM 1135 O ARG A 75 24.301 14.820 0.072 1.00 0.00 O ATOM 1136 CB ARG A 75 21.365 15.697 -0.482 1.00 0.00 C ATOM 1137 CG ARG A 75 21.044 16.633 0.695 1.00 0.00 C ATOM 1138 CD ARG A 75 19.689 16.271 1.316 1.00 0.00 C ATOM 1139 NE ARG A 75 19.417 17.075 2.526 1.00 0.00 N ATOM 1140 CZ ARG A 75 18.343 16.996 3.294 1.00 0.00 C ATOM 1141 NH1 ARG A 75 17.358 16.185 3.025 1.00 0.00 N ATOM 1142 NH2 ARG A 75 18.235 17.737 4.361 1.00 0.00 N ATOM 0 H ARG A 75 23.386 14.389 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 75 22.652 17.110 -1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.546 15.730 -1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.429 14.672 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.827 16.560 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.028 17.667 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 75 18.897 16.433 0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.676 15.211 1.571 1.00 0.00 H new ATOM 0 HE ARG A 75 20.126 17.757 2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.401 15.586 2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 75 16.544 16.150 3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.983 18.385 4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 75 17.403 17.669 4.947 1.00 0.00 H new ATOM 1156 N ALA A 76 24.420 17.069 0.188 1.00 0.00 N ATOM 1157 CA ALA A 76 25.637 17.160 1.003 1.00 0.00 C ATOM 1158 C ALA A 76 25.589 18.277 2.063 1.00 0.00 C ATOM 1159 O ALA A 76 24.742 19.171 2.008 1.00 0.00 O ATOM 1160 CB ALA A 76 26.814 17.350 0.038 1.00 0.00 C ATOM 0 H ALA A 76 24.009 17.980 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 76 25.746 16.243 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.742 17.423 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.869 16.499 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.669 18.264 -0.538 1.00 0.00 H new ATOM 1166 N THR A 77 26.553 18.255 2.990 1.00 0.00 N ATOM 1167 CA THR A 77 26.747 19.266 4.045 1.00 0.00 C ATOM 1168 C THR A 77 28.135 19.891 3.883 1.00 0.00 C ATOM 1169 O THR A 77 29.124 19.177 3.699 1.00 0.00 O ATOM 1170 CB THR A 77 26.589 18.652 5.450 1.00 0.00 C ATOM 1171 OG1 THR A 77 25.331 18.017 5.562 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.664 19.689 6.577 1.00 0.00 C ATOM 0 H THR A 77 27.246 17.508 3.031 1.00 0.00 H new ATOM 0 HA THR A 77 25.982 20.035 3.943 1.00 0.00 H new ATOM 0 HB THR A 77 27.417 17.951 5.559 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.239 17.628 6.457 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.545 19.190 7.539 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.631 20.191 6.545 1.00 0.00 H new ATOM 0 HG23 THR A 77 25.869 20.424 6.449 1.00 0.00 H new ATOM 1180 N GLY A 78 28.205 21.221 3.916 1.00 0.00 N ATOM 1181 CA GLY A 78 29.437 21.994 3.742 1.00 0.00 C ATOM 1182 C GLY A 78 30.142 22.381 5.051 1.00 0.00 C ATOM 1183 O GLY A 78 29.646 22.148 6.157 1.00 0.00 O ATOM 0 H GLY A 78 27.385 21.808 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 78 30.129 21.416 3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.204 22.903 3.188 1.00 0.00 H new ATOM 1187 N GLU A 79 31.336 22.961 4.912 1.00 0.00 N ATOM 1188 CA GLU A 79 32.260 23.206 6.028 1.00 0.00 C ATOM 1189 C GLU A 79 31.964 24.467 6.869 1.00 0.00 C ATOM 1190 O GLU A 79 32.511 24.572 7.971 1.00 0.00 O ATOM 1191 CB GLU A 79 33.706 23.195 5.512 1.00 0.00 C ATOM 1192 CG GLU A 79 34.180 21.833 4.982 1.00 0.00 C ATOM 1193 CD GLU A 79 34.273 20.778 6.101 1.00 0.00 C ATOM 1194 OE1 GLU A 79 35.275 20.780 6.860 1.00 0.00 O ATOM 1195 OE2 GLU A 79 33.354 19.932 6.229 1.00 0.00 O ATOM 0 H GLU A 79 31.695 23.279 4.012 1.00 0.00 H new ATOM 0 HA GLU A 79 32.105 22.387 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.801 23.934 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.369 23.508 6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 79 33.492 21.485 4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 79 35.156 21.947 4.510 1.00 0.00 H new ATOM 1202 N GLU A 80 31.092 25.394 6.435 1.00 0.00 N ATOM 1203 CA GLU A 80 30.609 26.486 7.305 1.00 0.00 C ATOM 1204 C GLU A 80 29.256 26.135 7.958 1.00 0.00 C ATOM 1205 O GLU A 80 28.647 26.951 8.657 1.00 0.00 O ATOM 1206 CB GLU A 80 30.487 27.781 6.514 1.00 0.00 C ATOM 1207 CG GLU A 80 31.818 28.257 5.934 1.00 0.00 C ATOM 1208 CD GLU A 80 32.761 28.815 7.018 1.00 0.00 C ATOM 1209 OE1 GLU A 80 32.602 29.999 7.410 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.671 28.091 7.490 1.00 0.00 O ATOM 0 H GLU A 80 30.707 25.411 5.491 1.00 0.00 H new ATOM 0 HA GLU A 80 31.341 26.621 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.774 27.638 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 80 30.081 28.558 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 80 32.306 27.428 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.631 29.028 5.186 1.00 0.00 H new ATOM 1217 N GLY A 81 28.790 24.904 7.739 1.00 0.00 N ATOM 1218 CA GLY A 81 27.556 24.324 8.278 1.00 0.00 C ATOM 1219 C GLY A 81 26.345 24.448 7.348 1.00 0.00 C ATOM 1220 O GLY A 81 25.203 24.317 7.798 1.00 0.00 O ATOM 0 H GLY A 81 29.293 24.245 7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.728 23.269 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 81 27.323 24.810 9.226 1.00 0.00 H new ATOM 1224 N GLU A 82 26.567 24.719 6.062 1.00 0.00 N ATOM 1225 CA GLU A 82 25.550 24.824 5.022 1.00 0.00 C ATOM 1226 C GLU A 82 25.123 23.470 4.430 1.00 0.00 C ATOM 1227 O GLU A 82 25.727 22.433 4.711 1.00 0.00 O ATOM 1228 CB GLU A 82 26.062 25.779 3.933 1.00 0.00 C ATOM 1229 CG GLU A 82 27.102 25.252 2.922 1.00 0.00 C ATOM 1230 CD GLU A 82 28.576 25.287 3.384 1.00 0.00 C ATOM 1231 OE1 GLU A 82 28.858 25.201 4.602 1.00 0.00 O ATOM 1232 OE2 GLU A 82 29.462 25.313 2.499 1.00 0.00 O ATOM 0 H GLU A 82 27.508 24.879 5.702 1.00 0.00 H new ATOM 0 HA GLU A 82 24.644 25.222 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 82 25.199 26.131 3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.493 26.648 4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 82 26.845 24.223 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.016 25.835 2.005 1.00 0.00 H new ATOM 1239 N THR A 83 24.125 23.487 3.542 1.00 0.00 N ATOM 1240 CA THR A 83 23.594 22.305 2.843 1.00 0.00 C ATOM 1241 C THR A 83 23.563 22.561 1.331 1.00 0.00 C ATOM 1242 O THR A 83 23.198 23.641 0.865 1.00 0.00 O ATOM 1243 CB THR A 83 22.206 21.928 3.401 1.00 0.00 C ATOM 1244 OG1 THR A 83 22.339 21.472 4.732 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.493 20.816 2.627 1.00 0.00 C ATOM 0 H THR A 83 23.647 24.349 3.279 1.00 0.00 H new ATOM 0 HA THR A 83 24.251 21.453 3.018 1.00 0.00 H new ATOM 0 HB THR A 83 21.610 22.837 3.317 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.457 21.234 5.086 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.526 20.615 3.087 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.345 21.129 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 83 22.100 19.911 2.648 1.00 0.00 H new ATOM 1253 N VAL A 84 23.951 21.547 0.559 1.00 0.00 N ATOM 1254 CA VAL A 84 24.016 21.572 -0.914 1.00 0.00 C ATOM 1255 C VAL A 84 23.123 20.488 -1.502 1.00 0.00 C ATOM 1256 O VAL A 84 23.083 19.373 -0.986 1.00 0.00 O ATOM 1257 CB VAL A 84 25.474 21.435 -1.399 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.604 21.302 -2.922 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.264 22.676 -0.975 1.00 0.00 C ATOM 0 H VAL A 84 24.241 20.650 0.949 1.00 0.00 H new ATOM 0 HA VAL A 84 23.646 22.535 -1.265 1.00 0.00 H new ATOM 0 HB VAL A 84 25.861 20.521 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.656 21.210 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 84 25.065 20.416 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 84 25.183 22.186 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.295 22.584 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.813 23.564 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.247 22.765 0.111 1.00 0.00 H new ATOM 1269 N LEU A 85 22.446 20.807 -2.606 1.00 0.00 N ATOM 1270 CA LEU A 85 21.616 19.888 -3.380 1.00 0.00 C ATOM 1271 C LEU A 85 22.020 19.946 -4.870 1.00 0.00 C ATOM 1272 O LEU A 85 22.412 20.992 -5.387 1.00 0.00 O ATOM 1273 CB LEU A 85 20.136 20.243 -3.115 1.00 0.00 C ATOM 1274 CG LEU A 85 19.094 19.323 -3.785 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.855 18.037 -2.995 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.746 20.025 -3.889 1.00 0.00 C ATOM 0 H LEU A 85 22.463 21.748 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 85 21.764 18.852 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.966 20.229 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.961 21.265 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 85 19.501 19.083 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.114 17.426 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.789 17.481 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.491 18.285 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.025 19.360 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.395 20.288 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.852 20.931 -4.486 1.00 0.00 H new ATOM 1288 N VAL A 86 21.910 18.820 -5.568 1.00 0.00 N ATOM 1289 CA VAL A 86 22.109 18.696 -7.025 1.00 0.00 C ATOM 1290 C VAL A 86 20.939 17.921 -7.605 1.00 0.00 C ATOM 1291 O VAL A 86 20.517 16.932 -7.007 1.00 0.00 O ATOM 1292 CB VAL A 86 23.436 18.005 -7.401 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.690 18.112 -8.905 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.630 18.615 -6.660 1.00 0.00 C ATOM 0 H VAL A 86 21.672 17.932 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 86 22.161 19.702 -7.441 1.00 0.00 H new ATOM 0 HB VAL A 86 23.339 16.959 -7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.630 17.619 -9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.875 17.631 -9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.745 19.162 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.544 18.098 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.713 19.672 -6.912 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.484 18.509 -5.585 1.00 0.00 H new ATOM 1304 N GLU A 87 20.406 18.353 -8.746 1.00 0.00 N ATOM 1305 CA GLU A 87 19.230 17.738 -9.357 1.00 0.00 C ATOM 1306 C GLU A 87 19.458 17.427 -10.848 1.00 0.00 C ATOM 1307 O GLU A 87 19.884 18.275 -11.634 1.00 0.00 O ATOM 1308 CB GLU A 87 17.959 18.560 -9.061 1.00 0.00 C ATOM 1309 CG GLU A 87 17.763 18.754 -7.545 1.00 0.00 C ATOM 1310 CD GLU A 87 16.352 19.242 -7.174 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.430 18.396 -7.080 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.170 20.460 -6.933 1.00 0.00 O ATOM 0 H GLU A 87 20.779 19.142 -9.274 1.00 0.00 H new ATOM 0 HA GLU A 87 19.063 16.765 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 87 18.029 19.532 -9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.089 18.055 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.960 17.810 -7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.497 19.472 -7.179 1.00 0.00 H new ATOM 1319 N GLU A 88 19.197 16.171 -11.211 1.00 0.00 N ATOM 1320 CA GLU A 88 19.445 15.574 -12.532 1.00 0.00 C ATOM 1321 C GLU A 88 18.154 14.950 -13.099 1.00 0.00 C ATOM 1322 O GLU A 88 17.404 14.354 -12.328 1.00 0.00 O ATOM 1323 CB GLU A 88 20.499 14.465 -12.365 1.00 0.00 C ATOM 1324 CG GLU A 88 21.957 14.855 -12.575 1.00 0.00 C ATOM 1325 CD GLU A 88 22.272 14.980 -14.068 1.00 0.00 C ATOM 1326 OE1 GLU A 88 22.044 16.065 -14.641 1.00 0.00 O ATOM 1327 OE2 GLU A 88 22.704 13.996 -14.710 1.00 0.00 O ATOM 0 H GLU A 88 18.785 15.503 -10.559 1.00 0.00 H new ATOM 0 HA GLU A 88 19.790 16.347 -13.219 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.400 14.053 -11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.260 13.663 -13.063 1.00 0.00 H new ATOM 0 HG2 GLU A 88 22.162 15.801 -12.074 1.00 0.00 H new ATOM 0 HG3 GLU A 88 22.608 14.107 -12.122 1.00 0.00 H new ATOM 1334 N PRO A 89 17.874 14.998 -14.415 1.00 0.00 N ATOM 1335 CA PRO A 89 16.723 14.305 -14.999 1.00 0.00 C ATOM 1336 C PRO A 89 16.812 12.779 -14.789 1.00 0.00 C ATOM 1337 O PRO A 89 17.859 12.168 -15.033 1.00 0.00 O ATOM 1338 CB PRO A 89 16.723 14.691 -16.483 1.00 0.00 C ATOM 1339 CG PRO A 89 18.190 15.020 -16.769 1.00 0.00 C ATOM 1340 CD PRO A 89 18.663 15.635 -15.455 1.00 0.00 C ATOM 0 HA PRO A 89 15.789 14.598 -14.519 1.00 0.00 H new ATOM 0 HB2 PRO A 89 16.366 13.874 -17.110 1.00 0.00 H new ATOM 0 HB3 PRO A 89 16.075 15.547 -16.675 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.761 14.128 -17.027 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.293 15.716 -17.601 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.728 15.459 -15.302 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.515 16.715 -15.453 1.00 0.00 H new ATOM 1348 N ARG A 90 15.707 12.168 -14.334 1.00 0.00 N ATOM 1349 CA ARG A 90 15.605 10.725 -14.042 1.00 0.00 C ATOM 1350 C ARG A 90 15.417 9.879 -15.312 1.00 0.00 C ATOM 1351 O ARG A 90 14.538 10.207 -16.144 1.00 0.00 O ATOM 1352 CB ARG A 90 14.500 10.484 -12.999 1.00 0.00 C ATOM 1353 CG ARG A 90 14.493 9.042 -12.472 1.00 0.00 C ATOM 1354 CD ARG A 90 13.470 8.874 -11.342 1.00 0.00 C ATOM 1355 NE ARG A 90 13.413 7.477 -10.872 1.00 0.00 N ATOM 1356 CZ ARG A 90 12.632 6.996 -9.923 1.00 0.00 C ATOM 1357 NH1 ARG A 90 11.815 7.752 -9.247 1.00 0.00 N ATOM 1358 NH2 ARG A 90 12.655 5.727 -9.635 1.00 0.00 N ATOM 1359 OXT ARG A 90 16.153 8.877 -15.470 1.00 0.00 O ATOM 0 H ARG A 90 14.839 12.672 -14.154 1.00 0.00 H new ATOM 0 HA ARG A 90 16.552 10.392 -13.617 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.636 11.172 -12.164 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.530 10.710 -13.443 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.258 8.355 -13.285 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.487 8.779 -12.110 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.732 9.529 -10.511 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.485 9.182 -11.692 1.00 0.00 H new ATOM 0 HE ARG A 90 14.042 6.815 -11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.764 8.751 -9.444 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.226 7.345 -8.520 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.278 5.100 -10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.050 5.360 -8.901 1.00 0.00 H new