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 Set 1.1: A 77 THR OG1 : rot -67:sc= 1.25 USER MOD Set 1.2: A 83 THR OG1 : rot 18:sc= 0.605 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 66:sc= 1.24 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 12:sc= 0.965 USER MOD Single : A 44 GLN : amide:sc= -0.0602 X(o=-0.06,f=-0.33) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 1.1 (180deg=1.04) USER MOD Single : A 68 THR OG1 : rot -27:sc= 0.0725 USER MOD Single : A 73 GLN : amide:sc= 1.19 K(o=1.2,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 170 N GLU A 13 23.531 7.142 -7.043 1.00 0.00 N ATOM 171 CA GLU A 13 24.846 7.187 -6.382 1.00 0.00 C ATOM 172 C GLU A 13 25.730 8.318 -6.952 1.00 0.00 C ATOM 173 O GLU A 13 26.224 9.149 -6.196 1.00 0.00 O ATOM 174 CB GLU A 13 25.508 5.799 -6.478 1.00 0.00 C ATOM 175 CG GLU A 13 26.820 5.662 -5.694 1.00 0.00 C ATOM 176 CD GLU A 13 26.567 5.520 -4.180 1.00 0.00 C ATOM 177 OE1 GLU A 13 26.437 6.549 -3.476 1.00 0.00 O ATOM 178 OE2 GLU A 13 26.495 4.368 -3.685 1.00 0.00 O ATOM 0 HA GLU A 13 24.715 7.426 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.804 5.049 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.702 5.575 -7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.370 4.793 -6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 13 27.447 6.535 -5.878 1.00 0.00 H new ATOM 185 N ARG A 14 25.892 8.402 -8.283 1.00 0.00 N ATOM 186 CA ARG A 14 26.823 9.367 -8.915 1.00 0.00 C ATOM 187 C ARG A 14 26.497 10.819 -8.564 1.00 0.00 C ATOM 188 O ARG A 14 27.415 11.585 -8.273 1.00 0.00 O ATOM 189 CB ARG A 14 26.957 9.181 -10.440 1.00 0.00 C ATOM 190 CG ARG A 14 25.666 9.322 -11.269 1.00 0.00 C ATOM 191 CD ARG A 14 25.894 10.013 -12.620 1.00 0.00 C ATOM 192 NE ARG A 14 25.867 11.488 -12.501 1.00 0.00 N ATOM 193 CZ ARG A 14 25.162 12.333 -13.229 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.368 11.997 -14.204 1.00 0.00 N ATOM 195 NH2 ARG A 14 25.203 13.595 -12.987 1.00 0.00 N ATOM 0 H ARG A 14 25.391 7.814 -8.949 1.00 0.00 H new ATOM 0 HA ARG A 14 27.798 9.137 -8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.680 9.908 -10.809 1.00 0.00 H new ATOM 0 HB3 ARG A 14 27.375 8.192 -10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.241 8.333 -11.440 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.933 9.890 -10.696 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.854 9.700 -13.030 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.127 9.692 -13.325 1.00 0.00 H new ATOM 0 HE ARG A 14 26.458 11.896 -11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.256 11.015 -14.455 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.858 12.716 -14.717 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.784 13.950 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.655 14.241 -13.555 1.00 0.00 H new ATOM 209 N VAL A 15 25.201 11.147 -8.485 1.00 0.00 N ATOM 210 CA VAL A 15 24.728 12.488 -8.093 1.00 0.00 C ATOM 211 C VAL A 15 25.137 12.869 -6.668 1.00 0.00 C ATOM 212 O VAL A 15 25.232 14.057 -6.366 1.00 0.00 O ATOM 213 CB VAL A 15 23.224 12.721 -8.326 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.889 12.658 -9.819 1.00 0.00 C ATOM 215 CG2 VAL A 15 22.326 11.745 -7.569 1.00 0.00 C ATOM 0 H VAL A 15 24.447 10.492 -8.691 1.00 0.00 H new ATOM 0 HA VAL A 15 25.244 13.164 -8.775 1.00 0.00 H new ATOM 0 HB VAL A 15 23.020 13.717 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.821 12.825 -9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 15 23.450 13.427 -10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.157 11.677 -10.211 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.281 11.971 -7.783 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.549 10.726 -7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.506 11.840 -6.498 1.00 0.00 H new ATOM 225 N ASP A 16 25.444 11.902 -5.799 1.00 0.00 N ATOM 226 CA ASP A 16 25.917 12.205 -4.441 1.00 0.00 C ATOM 227 C ASP A 16 27.344 12.799 -4.440 1.00 0.00 C ATOM 228 O ASP A 16 27.597 13.804 -3.777 1.00 0.00 O ATOM 229 CB ASP A 16 25.831 10.942 -3.574 1.00 0.00 C ATOM 230 CG ASP A 16 26.129 11.231 -2.095 1.00 0.00 C ATOM 231 OD1 ASP A 16 25.175 11.549 -1.345 1.00 0.00 O ATOM 232 OD2 ASP A 16 27.302 11.096 -1.673 1.00 0.00 O ATOM 0 H ASP A 16 25.375 10.906 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 16 25.269 12.971 -4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.835 10.509 -3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.536 10.199 -3.946 1.00 0.00 H new ATOM 237 N LEU A 17 28.274 12.235 -5.225 1.00 0.00 N ATOM 238 CA LEU A 17 29.698 12.602 -5.187 1.00 0.00 C ATOM 239 C LEU A 17 29.930 14.004 -5.768 1.00 0.00 C ATOM 240 O LEU A 17 30.650 14.820 -5.196 1.00 0.00 O ATOM 241 CB LEU A 17 30.527 11.550 -5.957 1.00 0.00 C ATOM 242 CG LEU A 17 30.750 10.171 -5.300 1.00 0.00 C ATOM 243 CD1 LEU A 17 31.352 10.277 -3.897 1.00 0.00 C ATOM 244 CD2 LEU A 17 29.489 9.310 -5.229 1.00 0.00 C ATOM 0 H LEU A 17 28.059 11.508 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 17 30.021 12.622 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.043 11.385 -6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.506 11.983 -6.162 1.00 0.00 H new ATOM 0 HG LEU A 17 31.461 9.678 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.487 9.278 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 17 32.317 10.781 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.681 10.848 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.725 8.357 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 17 28.728 9.827 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 17 29.113 9.131 -6.236 1.00 0.00 H new ATOM 256 N GLU A 18 29.257 14.307 -6.876 1.00 0.00 N ATOM 257 CA GLU A 18 29.215 15.643 -7.481 1.00 0.00 C ATOM 258 C GLU A 18 28.554 16.687 -6.558 1.00 0.00 C ATOM 259 O GLU A 18 29.006 17.829 -6.512 1.00 0.00 O ATOM 260 CB GLU A 18 28.563 15.567 -8.873 1.00 0.00 C ATOM 261 CG GLU A 18 27.167 14.943 -8.864 1.00 0.00 C ATOM 262 CD GLU A 18 26.728 14.528 -10.284 1.00 0.00 C ATOM 263 OE1 GLU A 18 27.046 13.412 -10.756 1.00 0.00 O ATOM 264 OE2 GLU A 18 26.000 15.298 -10.944 1.00 0.00 O ATOM 0 H GLU A 18 28.712 13.617 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 18 30.238 15.995 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.500 16.572 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.206 14.987 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.161 14.071 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.451 15.655 -8.453 1.00 0.00 H new ATOM 271 N ALA A 19 27.564 16.307 -5.735 1.00 0.00 N ATOM 272 CA ALA A 19 27.019 17.191 -4.701 1.00 0.00 C ATOM 273 C ALA A 19 28.035 17.474 -3.579 1.00 0.00 C ATOM 274 O ALA A 19 28.171 18.619 -3.149 1.00 0.00 O ATOM 275 CB ALA A 19 25.709 16.592 -4.172 1.00 0.00 C ATOM 0 H ALA A 19 27.125 15.387 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 19 26.805 18.164 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.296 17.243 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.995 16.499 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.904 15.607 -3.748 1.00 0.00 H new ATOM 281 N VAL A 20 28.809 16.467 -3.149 1.00 0.00 N ATOM 282 CA VAL A 20 29.902 16.631 -2.164 1.00 0.00 C ATOM 283 C VAL A 20 31.020 17.517 -2.724 1.00 0.00 C ATOM 284 O VAL A 20 31.497 18.411 -2.027 1.00 0.00 O ATOM 285 CB VAL A 20 30.423 15.260 -1.680 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.679 15.372 -0.804 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.354 14.547 -0.843 1.00 0.00 C ATOM 0 H VAL A 20 28.698 15.507 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 20 29.501 17.143 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 20 30.667 14.702 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 20 31.997 14.376 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.478 15.848 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.455 15.971 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.737 13.582 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.104 15.158 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.461 14.393 -1.448 1.00 0.00 H new ATOM 297 N ARG A 21 31.376 17.363 -4.008 1.00 0.00 N ATOM 298 CA ARG A 21 32.304 18.283 -4.693 1.00 0.00 C ATOM 299 C ARG A 21 31.817 19.729 -4.650 1.00 0.00 C ATOM 300 O ARG A 21 32.594 20.603 -4.285 1.00 0.00 O ATOM 301 CB ARG A 21 32.562 17.817 -6.139 1.00 0.00 C ATOM 302 CG ARG A 21 33.607 16.690 -6.224 1.00 0.00 C ATOM 303 CD ARG A 21 35.037 17.173 -5.928 1.00 0.00 C ATOM 304 NE ARG A 21 35.536 18.101 -6.965 1.00 0.00 N ATOM 305 CZ ARG A 21 36.618 18.859 -6.896 1.00 0.00 C ATOM 306 NH1 ARG A 21 37.402 18.854 -5.854 1.00 0.00 N ATOM 307 NH2 ARG A 21 36.937 19.645 -7.883 1.00 0.00 N ATOM 0 H ARG A 21 31.034 16.605 -4.599 1.00 0.00 H new ATOM 0 HA ARG A 21 33.250 18.257 -4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 21 31.626 17.472 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.899 18.665 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.342 15.902 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.577 16.249 -7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.058 17.669 -4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.703 16.313 -5.861 1.00 0.00 H new ATOM 0 HE ARG A 21 34.989 18.163 -7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 21 37.189 18.252 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 21 38.228 19.452 -5.835 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.351 19.680 -8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 21 37.773 20.226 -7.822 1.00 0.00 H new ATOM 321 N LEU A 22 30.536 19.996 -4.910 1.00 0.00 N ATOM 322 CA LEU A 22 29.964 21.336 -4.787 1.00 0.00 C ATOM 323 C LEU A 22 29.887 21.818 -3.346 1.00 0.00 C ATOM 324 O LEU A 22 30.129 22.998 -3.145 1.00 0.00 O ATOM 325 CB LEU A 22 28.616 21.469 -5.493 1.00 0.00 C ATOM 326 CG LEU A 22 28.795 21.939 -6.947 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.240 20.821 -7.880 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.478 22.512 -7.434 1.00 0.00 C ATOM 0 H LEU A 22 29.866 19.288 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 22 30.662 21.996 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 22 28.099 20.510 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.988 22.178 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 22 29.583 22.692 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.349 21.213 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.196 20.422 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.494 20.026 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.587 22.850 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.706 21.744 -7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.192 23.354 -6.804 1.00 0.00 H new ATOM 340 N ALA A 23 29.653 20.971 -2.346 1.00 0.00 N ATOM 341 CA ALA A 23 29.805 21.408 -0.958 1.00 0.00 C ATOM 342 C ALA A 23 31.218 21.986 -0.730 1.00 0.00 C ATOM 343 O ALA A 23 31.349 23.061 -0.146 1.00 0.00 O ATOM 344 CB ALA A 23 29.464 20.249 -0.025 1.00 0.00 C ATOM 0 H ALA A 23 29.364 20.000 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 23 29.109 22.217 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.576 20.570 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.435 19.933 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 23 30.137 19.414 -0.221 1.00 0.00 H new ATOM 350 N SER A 24 32.251 21.371 -1.323 1.00 0.00 N ATOM 351 CA SER A 24 33.620 21.908 -1.319 1.00 0.00 C ATOM 352 C SER A 24 33.794 23.167 -2.184 1.00 0.00 C ATOM 353 O SER A 24 34.503 24.081 -1.748 1.00 0.00 O ATOM 354 CB SER A 24 34.648 20.841 -1.722 1.00 0.00 C ATOM 355 OG SER A 24 34.576 19.726 -0.848 1.00 0.00 O ATOM 0 H SER A 24 32.161 20.485 -1.820 1.00 0.00 H new ATOM 0 HA SER A 24 33.805 22.208 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.464 20.519 -2.747 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.651 21.266 -1.696 1.00 0.00 H new ATOM 0 HG SER A 24 35.236 19.054 -1.119 1.00 0.00 H new ATOM 361 N ILE A 25 33.158 23.295 -3.368 1.00 0.00 N ATOM 362 CA ILE A 25 33.305 24.547 -4.139 1.00 0.00 C ATOM 363 C ILE A 25 32.567 25.708 -3.444 1.00 0.00 C ATOM 364 O ILE A 25 33.050 26.838 -3.429 1.00 0.00 O ATOM 365 CB ILE A 25 32.885 24.431 -5.615 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.180 23.092 -6.317 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.594 25.542 -6.406 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.608 22.544 -6.265 1.00 0.00 C ATOM 0 H ILE A 25 32.565 22.584 -3.795 1.00 0.00 H new ATOM 0 HA ILE A 25 34.374 24.760 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 25 31.798 24.514 -5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.519 22.339 -5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.903 23.198 -7.366 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.310 25.479 -7.457 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.302 26.514 -6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.673 25.422 -6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.654 21.597 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.289 23.258 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.899 22.385 -5.227 1.00 0.00 H new ATOM 380 N VAL A 26 31.435 25.426 -2.791 1.00 0.00 N ATOM 381 CA VAL A 26 30.682 26.377 -1.964 1.00 0.00 C ATOM 382 C VAL A 26 31.496 26.758 -0.730 1.00 0.00 C ATOM 383 O VAL A 26 31.676 27.945 -0.514 1.00 0.00 O ATOM 384 CB VAL A 26 29.316 25.793 -1.560 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.577 26.715 -0.583 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.404 25.578 -2.782 1.00 0.00 C ATOM 0 H VAL A 26 31.004 24.502 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 26 30.498 27.277 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 26 29.529 24.836 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.617 26.271 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.176 26.845 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.412 27.685 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.450 25.165 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.235 26.532 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.881 24.885 -3.475 1.00 0.00 H new ATOM 396 N ASP A 27 32.079 25.829 0.034 1.00 0.00 N ATOM 397 CA ASP A 27 33.012 26.173 1.117 1.00 0.00 C ATOM 398 C ASP A 27 34.179 27.045 0.641 1.00 0.00 C ATOM 399 O ASP A 27 34.527 28.020 1.306 1.00 0.00 O ATOM 400 CB ASP A 27 33.561 24.911 1.791 1.00 0.00 C ATOM 401 CG ASP A 27 32.495 24.067 2.504 1.00 0.00 C ATOM 402 OD1 ASP A 27 31.509 24.641 3.027 1.00 0.00 O ATOM 403 OD2 ASP A 27 32.711 22.839 2.643 1.00 0.00 O ATOM 0 H ASP A 27 31.921 24.827 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 27 32.436 26.753 1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.053 24.295 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.323 25.201 2.514 1.00 0.00 H new ATOM 408 N SER A 28 34.720 26.769 -0.549 1.00 0.00 N ATOM 409 CA SER A 28 35.772 27.597 -1.163 1.00 0.00 C ATOM 410 C SER A 28 35.292 29.035 -1.434 1.00 0.00 C ATOM 411 O SER A 28 36.082 29.975 -1.346 1.00 0.00 O ATOM 412 CB SER A 28 36.292 26.952 -2.456 1.00 0.00 C ATOM 413 OG SER A 28 36.740 25.622 -2.230 1.00 0.00 O ATOM 0 H SER A 28 34.444 25.967 -1.116 1.00 0.00 H new ATOM 0 HA SER A 28 36.591 27.655 -0.446 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.501 26.948 -3.206 1.00 0.00 H new ATOM 0 HB3 SER A 28 37.110 27.549 -2.859 1.00 0.00 H new ATOM 0 HG SER A 28 35.979 25.060 -1.974 1.00 0.00 H new ATOM 419 N ARG A 29 33.988 29.229 -1.676 1.00 0.00 N ATOM 420 CA ARG A 29 33.310 30.536 -1.790 1.00 0.00 C ATOM 421 C ARG A 29 32.929 31.146 -0.435 1.00 0.00 C ATOM 422 O ARG A 29 33.073 32.356 -0.269 1.00 0.00 O ATOM 423 CB ARG A 29 32.096 30.348 -2.719 1.00 0.00 C ATOM 424 CG ARG A 29 31.329 31.630 -3.050 1.00 0.00 C ATOM 425 CD ARG A 29 32.102 32.606 -3.938 1.00 0.00 C ATOM 426 NE ARG A 29 31.211 33.696 -4.391 1.00 0.00 N ATOM 427 CZ ARG A 29 31.391 34.496 -5.427 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.496 34.486 -6.117 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.464 35.330 -5.794 1.00 0.00 N ATOM 0 H ARG A 29 33.345 28.447 -1.804 1.00 0.00 H new ATOM 0 HA ARG A 29 34.000 31.264 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.437 29.896 -3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.408 29.641 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.395 31.365 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.064 32.133 -2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 29 32.946 33.021 -3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.512 32.079 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 29 30.364 33.847 -3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.251 33.849 -5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.606 35.115 -6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.584 35.373 -5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.617 35.942 -6.596 1.00 0.00 H new ATOM 443 N LEU A 30 32.514 30.359 0.559 1.00 0.00 N ATOM 444 CA LEU A 30 32.226 30.851 1.919 1.00 0.00 C ATOM 445 C LEU A 30 33.507 31.346 2.627 1.00 0.00 C ATOM 446 O LEU A 30 33.479 32.336 3.353 1.00 0.00 O ATOM 447 CB LEU A 30 31.504 29.776 2.755 1.00 0.00 C ATOM 448 CG LEU A 30 30.151 29.296 2.193 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.552 28.199 3.082 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.112 30.416 2.053 1.00 0.00 C ATOM 0 H LEU A 30 32.366 29.356 0.449 1.00 0.00 H new ATOM 0 HA LEU A 30 31.557 31.706 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.163 28.914 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.342 30.169 3.759 1.00 0.00 H new ATOM 0 HG LEU A 30 30.373 28.915 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.598 27.875 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.236 27.351 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.396 28.590 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.186 30.005 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 30 28.920 30.858 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.492 31.182 1.377 1.00 0.00 H new ATOM 462 N ILE A 31 34.644 30.698 2.352 1.00 0.00 N ATOM 463 CA ILE A 31 35.988 31.154 2.757 1.00 0.00 C ATOM 464 C ILE A 31 36.469 32.312 1.851 1.00 0.00 C ATOM 465 O ILE A 31 37.108 33.254 2.325 1.00 0.00 O ATOM 466 CB ILE A 31 36.957 29.943 2.742 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.527 28.892 3.797 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.414 30.374 3.003 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.218 27.531 3.647 1.00 0.00 C ATOM 0 H ILE A 31 34.661 29.822 1.830 1.00 0.00 H new ATOM 0 HA ILE A 31 35.959 31.552 3.771 1.00 0.00 H new ATOM 0 HB ILE A 31 36.907 29.501 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 31 36.737 29.285 4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.448 28.748 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.062 29.497 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.730 31.075 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.482 30.855 3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 31 36.861 26.854 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 31 36.988 27.112 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.296 27.658 3.744 1.00 0.00 H new ATOM 481 N GLY A 32 36.142 32.266 0.551 1.00 0.00 N ATOM 482 CA GLY A 32 36.648 33.163 -0.494 1.00 0.00 C ATOM 483 C GLY A 32 36.076 34.575 -0.453 1.00 0.00 C ATOM 484 O GLY A 32 36.785 35.552 -0.700 1.00 0.00 O ATOM 0 H GLY A 32 35.490 31.572 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.733 33.223 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.428 32.725 -1.468 1.00 0.00 H new ATOM 488 N THR A 33 34.787 34.671 -0.128 1.00 0.00 N ATOM 489 CA THR A 33 34.073 35.948 0.064 1.00 0.00 C ATOM 490 C THR A 33 32.937 35.888 1.102 1.00 0.00 C ATOM 491 O THR A 33 32.693 36.878 1.795 1.00 0.00 O ATOM 492 CB THR A 33 33.562 36.459 -1.295 1.00 0.00 C ATOM 493 OG1 THR A 33 33.033 37.762 -1.192 1.00 0.00 O ATOM 494 CG2 THR A 33 32.488 35.560 -1.902 1.00 0.00 C ATOM 0 H THR A 33 34.193 33.854 0.013 1.00 0.00 H new ATOM 0 HA THR A 33 34.793 36.652 0.481 1.00 0.00 H new ATOM 0 HB THR A 33 34.435 36.455 -1.948 1.00 0.00 H new ATOM 0 HG1 THR A 33 32.719 38.058 -2.072 1.00 0.00 H new ATOM 0 HG21 THR A 33 32.167 35.972 -2.859 1.00 0.00 H new ATOM 0 HG22 THR A 33 32.894 34.560 -2.055 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.635 35.505 -1.226 1.00 0.00 H new ATOM 502 N GLY A 34 32.277 34.729 1.270 1.00 0.00 N ATOM 503 CA GLY A 34 31.251 34.524 2.307 1.00 0.00 C ATOM 504 C GLY A 34 29.801 34.486 1.838 1.00 0.00 C ATOM 505 O GLY A 34 28.887 34.527 2.662 1.00 0.00 O ATOM 0 H GLY A 34 32.440 33.906 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.468 33.586 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.349 35.320 3.045 1.00 0.00 H new ATOM 509 N SER A 35 29.554 34.392 0.532 1.00 0.00 N ATOM 510 CA SER A 35 28.228 34.150 -0.072 1.00 0.00 C ATOM 511 C SER A 35 28.399 33.568 -1.481 1.00 0.00 C ATOM 512 O SER A 35 29.322 33.950 -2.200 1.00 0.00 O ATOM 513 CB SER A 35 27.424 35.455 -0.158 1.00 0.00 C ATOM 514 OG SER A 35 27.038 35.880 1.139 1.00 0.00 O ATOM 0 H SER A 35 30.292 34.484 -0.166 1.00 0.00 H new ATOM 0 HA SER A 35 27.687 33.443 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.023 36.228 -0.639 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.540 35.306 -0.778 1.00 0.00 H new ATOM 0 HG SER A 35 27.525 35.360 1.812 1.00 0.00 H new ATOM 520 N VAL A 36 27.525 32.642 -1.882 1.00 0.00 N ATOM 521 CA VAL A 36 27.540 31.962 -3.195 1.00 0.00 C ATOM 522 C VAL A 36 26.328 32.378 -4.031 1.00 0.00 C ATOM 523 O VAL A 36 25.228 32.544 -3.501 1.00 0.00 O ATOM 524 CB VAL A 36 27.660 30.436 -3.012 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.444 29.796 -2.338 1.00 0.00 C ATOM 526 CG2 VAL A 36 27.890 29.741 -4.351 1.00 0.00 C ATOM 0 H VAL A 36 26.758 32.329 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 36 28.421 32.276 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 36 28.517 30.298 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.603 28.722 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 36 26.307 30.230 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 36 25.555 29.980 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.971 28.665 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.052 29.948 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.811 30.112 -4.800 1.00 0.00 H new ATOM 536 N ASP A 37 26.529 32.551 -5.339 1.00 0.00 N ATOM 537 CA ASP A 37 25.549 33.088 -6.288 1.00 0.00 C ATOM 538 C ASP A 37 25.462 32.193 -7.534 1.00 0.00 C ATOM 539 O ASP A 37 26.396 31.447 -7.834 1.00 0.00 O ATOM 540 CB ASP A 37 25.952 34.522 -6.692 1.00 0.00 C ATOM 541 CG ASP A 37 26.494 35.377 -5.530 1.00 0.00 C ATOM 542 OD1 ASP A 37 27.729 35.363 -5.288 1.00 0.00 O ATOM 543 OD2 ASP A 37 25.691 36.084 -4.877 1.00 0.00 O ATOM 0 H ASP A 37 27.415 32.311 -5.785 1.00 0.00 H new ATOM 0 HA ASP A 37 24.569 33.110 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.710 34.468 -7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.085 35.023 -7.123 1.00 0.00 H new ATOM 548 N GLU A 38 24.368 32.279 -8.296 1.00 0.00 N ATOM 549 CA GLU A 38 24.131 31.395 -9.451 1.00 0.00 C ATOM 550 C GLU A 38 25.267 31.439 -10.486 1.00 0.00 C ATOM 551 O GLU A 38 25.670 30.402 -11.012 1.00 0.00 O ATOM 552 CB GLU A 38 22.810 31.788 -10.130 1.00 0.00 C ATOM 553 CG GLU A 38 22.218 30.619 -10.923 1.00 0.00 C ATOM 554 CD GLU A 38 21.304 31.100 -12.064 1.00 0.00 C ATOM 555 OE1 GLU A 38 20.346 31.872 -11.820 1.00 0.00 O ATOM 556 OE2 GLU A 38 21.591 30.745 -13.235 1.00 0.00 O ATOM 0 H GLU A 38 23.623 32.957 -8.135 1.00 0.00 H new ATOM 0 HA GLU A 38 24.085 30.375 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.095 32.116 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.980 32.633 -10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.026 30.015 -11.336 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.651 29.975 -10.251 1.00 0.00 H new ATOM 563 N ASP A 39 25.836 32.624 -10.731 1.00 0.00 N ATOM 564 CA ASP A 39 26.929 32.814 -11.688 1.00 0.00 C ATOM 565 C ASP A 39 28.257 32.192 -11.222 1.00 0.00 C ATOM 566 O ASP A 39 29.103 31.865 -12.057 1.00 0.00 O ATOM 567 CB ASP A 39 27.091 34.311 -11.980 1.00 0.00 C ATOM 568 CG ASP A 39 28.054 34.564 -13.154 1.00 0.00 C ATOM 569 OD1 ASP A 39 27.757 34.104 -14.284 1.00 0.00 O ATOM 570 OD2 ASP A 39 29.080 35.259 -12.955 1.00 0.00 O ATOM 0 H ASP A 39 25.548 33.485 -10.266 1.00 0.00 H new ATOM 0 HA ASP A 39 26.663 32.285 -12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.117 34.744 -12.209 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.463 34.817 -11.089 1.00 0.00 H new ATOM 575 N PHE A 40 28.432 31.965 -9.911 1.00 0.00 N ATOM 576 CA PHE A 40 29.561 31.186 -9.405 1.00 0.00 C ATOM 577 C PHE A 40 29.347 29.677 -9.603 1.00 0.00 C ATOM 578 O PHE A 40 30.304 28.972 -9.897 1.00 0.00 O ATOM 579 CB PHE A 40 29.815 31.534 -7.932 1.00 0.00 C ATOM 580 CG PHE A 40 31.003 30.797 -7.348 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.310 31.277 -7.560 1.00 0.00 C ATOM 582 CD2 PHE A 40 30.806 29.602 -6.633 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.412 30.572 -7.042 1.00 0.00 C ATOM 584 CE2 PHE A 40 31.904 28.908 -6.101 1.00 0.00 C ATOM 585 CZ PHE A 40 33.208 29.392 -6.306 1.00 0.00 C ATOM 0 H PHE A 40 27.804 32.312 -9.186 1.00 0.00 H new ATOM 0 HA PHE A 40 30.448 31.450 -9.981 1.00 0.00 H new ATOM 0 HB2 PHE A 40 29.979 32.608 -7.841 1.00 0.00 H new ATOM 0 HB3 PHE A 40 28.925 31.297 -7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.466 32.187 -8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 40 29.807 29.217 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.414 30.937 -7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 40 31.747 28.002 -5.534 1.00 0.00 H new ATOM 0 HZ PHE A 40 34.053 28.857 -5.898 1.00 0.00 H new ATOM 595 N LEU A 41 28.112 29.163 -9.483 1.00 0.00 N ATOM 596 CA LEU A 41 27.819 27.717 -9.535 1.00 0.00 C ATOM 597 C LEU A 41 27.604 27.163 -10.952 1.00 0.00 C ATOM 598 O LEU A 41 27.949 26.007 -11.204 1.00 0.00 O ATOM 599 CB LEU A 41 26.622 27.419 -8.605 1.00 0.00 C ATOM 600 CG LEU A 41 26.961 27.502 -7.106 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.703 27.217 -6.287 1.00 0.00 C ATOM 602 CD2 LEU A 41 28.044 26.503 -6.678 1.00 0.00 C ATOM 0 H LEU A 41 27.282 29.740 -9.346 1.00 0.00 H new ATOM 0 HA LEU A 41 28.705 27.190 -9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.819 28.123 -8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.242 26.422 -8.827 1.00 0.00 H new ATOM 0 HG LEU A 41 27.342 28.507 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.940 27.275 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.937 27.954 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 41 25.334 26.219 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 41 28.238 26.611 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.704 25.488 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.960 26.699 -7.235 1.00 0.00 H new ATOM 614 N ARG A 42 27.113 27.963 -11.907 1.00 0.00 N ATOM 615 CA ARG A 42 26.910 27.516 -13.309 1.00 0.00 C ATOM 616 C ARG A 42 28.192 27.073 -14.037 1.00 0.00 C ATOM 617 O ARG A 42 28.121 26.273 -14.964 1.00 0.00 O ATOM 618 CB ARG A 42 26.152 28.586 -14.102 1.00 0.00 C ATOM 619 CG ARG A 42 26.928 29.899 -14.228 1.00 0.00 C ATOM 620 CD ARG A 42 26.195 30.927 -15.087 1.00 0.00 C ATOM 621 NE ARG A 42 24.896 31.365 -14.521 1.00 0.00 N ATOM 622 CZ ARG A 42 24.385 32.584 -14.569 1.00 0.00 C ATOM 623 NH1 ARG A 42 25.084 33.637 -14.877 1.00 0.00 N ATOM 624 NH2 ARG A 42 23.129 32.772 -14.295 1.00 0.00 N ATOM 0 H ARG A 42 26.844 28.933 -11.741 1.00 0.00 H new ATOM 0 HA ARG A 42 26.306 26.611 -13.250 1.00 0.00 H new ATOM 0 HB2 ARG A 42 25.932 28.204 -15.099 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.196 28.781 -13.617 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.098 30.314 -13.235 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.908 29.699 -14.662 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.836 31.799 -15.219 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.025 30.504 -16.077 1.00 0.00 H new ATOM 0 HE ARG A 42 24.340 30.654 -14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.076 33.545 -15.096 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.640 34.555 -14.899 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.538 31.980 -14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 42 22.734 33.712 -14.332 1.00 0.00 H new ATOM 638 N GLU A 43 29.363 27.533 -13.589 1.00 0.00 N ATOM 639 CA GLU A 43 30.679 27.080 -14.084 1.00 0.00 C ATOM 640 C GLU A 43 31.270 25.907 -13.273 1.00 0.00 C ATOM 641 O GLU A 43 32.357 25.423 -13.589 1.00 0.00 O ATOM 642 CB GLU A 43 31.651 28.277 -14.182 1.00 0.00 C ATOM 643 CG GLU A 43 31.809 29.047 -12.865 1.00 0.00 C ATOM 644 CD GLU A 43 33.040 29.968 -12.869 1.00 0.00 C ATOM 645 OE1 GLU A 43 33.125 30.897 -13.711 1.00 0.00 O ATOM 646 OE2 GLU A 43 33.936 29.759 -12.015 1.00 0.00 O ATOM 0 H GLU A 43 29.432 28.243 -12.860 1.00 0.00 H new ATOM 0 HA GLU A 43 30.527 26.676 -15.085 1.00 0.00 H new ATOM 0 HB2 GLU A 43 32.628 27.916 -14.502 1.00 0.00 H new ATOM 0 HB3 GLU A 43 31.296 28.961 -14.953 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.914 29.642 -12.686 1.00 0.00 H new ATOM 0 HG3 GLU A 43 31.891 28.339 -12.041 1.00 0.00 H new ATOM 653 N GLN A 44 30.570 25.428 -12.236 1.00 0.00 N ATOM 654 CA GLN A 44 31.048 24.405 -11.289 1.00 0.00 C ATOM 655 C GLN A 44 30.222 23.117 -11.314 1.00 0.00 C ATOM 656 O GLN A 44 30.721 22.088 -10.865 1.00 0.00 O ATOM 657 CB GLN A 44 31.091 24.981 -9.861 1.00 0.00 C ATOM 658 CG GLN A 44 31.950 26.251 -9.764 1.00 0.00 C ATOM 659 CD GLN A 44 33.419 26.060 -10.137 1.00 0.00 C ATOM 660 OE1 GLN A 44 34.016 25.006 -9.959 1.00 0.00 O ATOM 661 NE2 GLN A 44 34.066 27.076 -10.658 1.00 0.00 N ATOM 0 H GLN A 44 29.626 25.750 -12.024 1.00 0.00 H new ATOM 0 HA GLN A 44 32.053 24.133 -11.611 1.00 0.00 H new ATOM 0 HB2 GLN A 44 30.076 25.207 -9.533 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.485 24.227 -9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 44 31.521 27.014 -10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.895 26.633 -8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 44 33.585 27.962 -10.813 1.00 0.00 H new ATOM 0 HE22 GLN A 44 35.050 26.980 -10.908 1.00 0.00 H new ATOM 670 N ILE A 45 28.994 23.141 -11.874 1.00 0.00 N ATOM 671 CA ILE A 45 28.191 21.936 -12.145 1.00 0.00 C ATOM 672 C ILE A 45 29.019 20.875 -12.865 1.00 0.00 C ATOM 673 O ILE A 45 29.141 19.751 -12.379 1.00 0.00 O ATOM 674 CB ILE A 45 26.923 22.225 -12.999 1.00 0.00 C ATOM 675 CG1 ILE A 45 27.018 23.452 -13.934 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.727 22.349 -12.062 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.863 23.561 -14.940 1.00 0.00 C ATOM 0 H ILE A 45 28.531 24.006 -12.152 1.00 0.00 H new ATOM 0 HA ILE A 45 27.872 21.575 -11.167 1.00 0.00 H new ATOM 0 HB ILE A 45 26.811 21.383 -13.682 1.00 0.00 H new ATOM 0 HG12 ILE A 45 27.045 24.357 -13.327 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.960 23.407 -14.481 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.828 22.552 -12.644 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.599 21.418 -11.510 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.897 23.166 -11.361 1.00 0.00 H new ATOM 0 HD11 ILE A 45 26.002 24.447 -15.559 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.848 22.674 -15.574 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.918 23.639 -14.402 1.00 0.00 H new ATOM 735 N ARG A 49 22.750 18.910 -14.627 1.00 0.00 N ATOM 736 CA ARG A 49 21.798 19.895 -15.154 1.00 0.00 C ATOM 737 C ARG A 49 21.662 21.092 -14.217 1.00 0.00 C ATOM 738 O ARG A 49 21.926 22.218 -14.640 1.00 0.00 O ATOM 739 CB ARG A 49 20.433 19.221 -15.422 1.00 0.00 C ATOM 740 CG ARG A 49 20.034 19.187 -16.905 1.00 0.00 C ATOM 741 CD ARG A 49 21.073 18.586 -17.869 1.00 0.00 C ATOM 742 NE ARG A 49 21.682 17.332 -17.373 1.00 0.00 N ATOM 743 CZ ARG A 49 22.482 16.516 -18.033 1.00 0.00 C ATOM 744 NH1 ARG A 49 22.741 16.668 -19.302 1.00 0.00 N ATOM 745 NH2 ARG A 49 23.045 15.527 -17.407 1.00 0.00 N ATOM 0 HA ARG A 49 22.181 20.277 -16.100 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.462 18.200 -15.041 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.662 19.749 -14.861 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.109 18.619 -16.999 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.816 20.206 -17.226 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.597 18.394 -18.830 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.861 19.319 -18.044 1.00 0.00 H new ATOM 0 HE ARG A 49 21.458 17.069 -16.413 1.00 0.00 H new ATOM 0 HH11 ARG A 49 22.320 17.439 -19.820 1.00 0.00 H new ATOM 0 HH12 ARG A 49 23.365 16.016 -19.777 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.867 15.386 -16.413 1.00 0.00 H new ATOM 0 HH22 ARG A 49 23.665 14.892 -17.910 1.00 0.00 H new ATOM 759 N TYR A 50 21.278 20.861 -12.957 1.00 0.00 N ATOM 760 CA TYR A 50 20.917 21.936 -12.021 1.00 0.00 C ATOM 761 C TYR A 50 21.645 21.806 -10.674 1.00 0.00 C ATOM 762 O TYR A 50 21.664 20.721 -10.092 1.00 0.00 O ATOM 763 CB TYR A 50 19.386 21.898 -11.802 1.00 0.00 C ATOM 764 CG TYR A 50 18.541 21.582 -13.030 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.727 22.308 -14.220 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.575 20.557 -12.989 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.963 22.018 -15.365 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.803 20.263 -14.130 1.00 0.00 C ATOM 769 CZ TYR A 50 16.992 20.995 -15.321 1.00 0.00 C ATOM 770 OH TYR A 50 16.245 20.702 -16.419 1.00 0.00 O ATOM 0 H TYR A 50 21.208 19.926 -12.556 1.00 0.00 H new ATOM 0 HA TYR A 50 21.223 22.888 -12.454 1.00 0.00 H new ATOM 0 HB2 TYR A 50 19.167 21.155 -11.035 1.00 0.00 H new ATOM 0 HB3 TYR A 50 19.072 22.865 -11.409 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.464 23.097 -14.255 1.00 0.00 H new ATOM 0 HD2 TYR A 50 17.426 19.995 -12.079 1.00 0.00 H new ATOM 0 HE1 TYR A 50 18.119 22.577 -16.276 1.00 0.00 H new ATOM 0 HE2 TYR A 50 16.065 19.476 -14.093 1.00 0.00 H new ATOM 0 HH TYR A 50 15.628 19.970 -16.209 1.00 0.00 H new ATOM 780 N ALA A 51 22.227 22.895 -10.151 1.00 0.00 N ATOM 781 CA ALA A 51 22.744 22.953 -8.772 1.00 0.00 C ATOM 782 C ALA A 51 21.875 23.913 -7.935 1.00 0.00 C ATOM 783 O ALA A 51 21.431 24.942 -8.437 1.00 0.00 O ATOM 784 CB ALA A 51 24.221 23.358 -8.779 1.00 0.00 C ATOM 0 H ALA A 51 22.354 23.763 -10.672 1.00 0.00 H new ATOM 0 HA ALA A 51 22.686 21.967 -8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.592 23.398 -7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.796 22.626 -9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 51 24.327 24.339 -9.242 1.00 0.00 H new ATOM 790 N VAL A 52 21.607 23.580 -6.673 1.00 0.00 N ATOM 791 CA VAL A 52 20.629 24.268 -5.815 1.00 0.00 C ATOM 792 C VAL A 52 21.203 24.413 -4.412 1.00 0.00 C ATOM 793 O VAL A 52 21.826 23.483 -3.892 1.00 0.00 O ATOM 794 CB VAL A 52 19.278 23.513 -5.804 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.283 24.100 -4.792 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.618 23.532 -7.191 1.00 0.00 C ATOM 0 H VAL A 52 22.073 22.805 -6.202 1.00 0.00 H new ATOM 0 HA VAL A 52 20.434 25.263 -6.215 1.00 0.00 H new ATOM 0 HB VAL A 52 19.515 22.490 -5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.353 23.533 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.707 24.042 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 52 18.082 25.142 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.671 22.994 -7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.437 24.563 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.277 23.052 -7.914 1.00 0.00 H new ATOM 806 N ILE A 53 21.010 25.575 -3.785 1.00 0.00 N ATOM 807 CA ILE A 53 21.673 25.946 -2.534 1.00 0.00 C ATOM 808 C ILE A 53 20.705 26.240 -1.389 1.00 0.00 C ATOM 809 O ILE A 53 19.776 27.024 -1.540 1.00 0.00 O ATOM 810 CB ILE A 53 22.663 27.109 -2.824 1.00 0.00 C ATOM 811 CG1 ILE A 53 24.110 26.595 -2.834 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.544 28.347 -1.903 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.510 25.920 -1.520 1.00 0.00 C ATOM 0 H ILE A 53 20.379 26.295 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 53 22.235 25.087 -2.169 1.00 0.00 H new ATOM 0 HB ILE A 53 22.372 27.469 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 53 24.233 25.886 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.785 27.428 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 53 23.283 29.092 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.544 28.772 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.721 28.050 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.543 25.577 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.417 26.633 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 53 23.856 25.068 -1.335 1.00 0.00 H new ATOM 825 N ARG A 54 20.989 25.663 -0.219 1.00 0.00 N ATOM 826 CA ARG A 54 20.292 25.892 1.056 1.00 0.00 C ATOM 827 C ARG A 54 21.325 26.197 2.150 1.00 0.00 C ATOM 828 O ARG A 54 21.765 25.313 2.880 1.00 0.00 O ATOM 829 CB ARG A 54 19.441 24.652 1.406 1.00 0.00 C ATOM 830 CG ARG A 54 18.395 24.218 0.362 1.00 0.00 C ATOM 831 CD ARG A 54 17.273 25.231 0.102 1.00 0.00 C ATOM 832 NE ARG A 54 16.405 25.416 1.286 1.00 0.00 N ATOM 833 CZ ARG A 54 15.171 25.892 1.310 1.00 0.00 C ATOM 834 NH1 ARG A 54 14.548 26.269 0.227 1.00 0.00 N ATOM 835 NH2 ARG A 54 14.528 25.997 2.437 1.00 0.00 N ATOM 0 H ARG A 54 21.749 24.989 -0.127 1.00 0.00 H new ATOM 0 HA ARG A 54 19.622 26.748 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.116 23.814 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 54 18.924 24.847 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.906 24.017 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.947 23.279 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.709 26.189 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.669 24.894 -0.741 1.00 0.00 H new ATOM 0 HE ARG A 54 16.803 25.146 2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.013 26.202 -0.678 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.596 26.631 0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.976 25.712 3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.577 26.365 2.449 1.00 0.00 H new ATOM 849 N ILE A 55 21.746 27.456 2.252 1.00 0.00 N ATOM 850 CA ILE A 55 22.620 27.955 3.335 1.00 0.00 C ATOM 851 C ILE A 55 21.748 28.658 4.395 1.00 0.00 C ATOM 852 O ILE A 55 20.898 29.468 4.017 1.00 0.00 O ATOM 853 CB ILE A 55 23.696 28.893 2.733 1.00 0.00 C ATOM 854 CG1 ILE A 55 24.745 28.091 1.933 1.00 0.00 C ATOM 855 CG2 ILE A 55 24.420 29.743 3.793 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.396 28.903 0.815 1.00 0.00 C ATOM 0 H ILE A 55 21.490 28.177 1.578 1.00 0.00 H new ATOM 0 HA ILE A 55 23.144 27.135 3.826 1.00 0.00 H new ATOM 0 HB ILE A 55 23.157 29.571 2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.519 27.736 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.269 27.209 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.161 30.378 3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.695 30.367 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 55 24.917 29.087 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.123 28.283 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.631 29.236 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 55 25.899 29.771 1.241 1.00 0.00 H new ATOM 868 N PRO A 56 21.942 28.408 5.706 1.00 0.00 N ATOM 869 CA PRO A 56 21.180 29.091 6.752 1.00 0.00 C ATOM 870 C PRO A 56 21.509 30.594 6.800 1.00 0.00 C ATOM 871 O PRO A 56 22.671 30.998 6.715 1.00 0.00 O ATOM 872 CB PRO A 56 21.529 28.364 8.056 1.00 0.00 C ATOM 873 CG PRO A 56 22.926 27.802 7.790 1.00 0.00 C ATOM 874 CD PRO A 56 22.889 27.471 6.300 1.00 0.00 C ATOM 0 HA PRO A 56 20.107 29.051 6.566 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.526 29.044 8.908 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.814 27.572 8.278 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.704 28.529 8.022 1.00 0.00 H new ATOM 0 HG3 PRO A 56 23.126 26.917 8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.877 27.577 5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.574 26.441 6.136 1.00 0.00 H new ATOM 882 N GLY A 57 20.478 31.432 6.933 1.00 0.00 N ATOM 883 CA GLY A 57 20.594 32.897 6.995 1.00 0.00 C ATOM 884 C GLY A 57 20.578 33.625 5.641 1.00 0.00 C ATOM 885 O GLY A 57 20.654 34.856 5.622 1.00 0.00 O ATOM 0 H GLY A 57 19.514 31.106 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 57 19.776 33.282 7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 57 21.521 33.148 7.511 1.00 0.00 H new ATOM 889 N GLN A 58 20.457 32.903 4.517 1.00 0.00 N ATOM 890 CA GLN A 58 20.329 33.478 3.167 1.00 0.00 C ATOM 891 C GLN A 58 19.241 32.773 2.322 1.00 0.00 C ATOM 892 O GLN A 58 18.907 31.616 2.604 1.00 0.00 O ATOM 893 CB GLN A 58 21.713 33.487 2.486 1.00 0.00 C ATOM 894 CG GLN A 58 22.171 32.131 1.948 1.00 0.00 C ATOM 895 CD GLN A 58 23.479 32.244 1.165 1.00 0.00 C ATOM 896 OE1 GLN A 58 24.497 32.738 1.632 1.00 0.00 O ATOM 897 NE2 GLN A 58 23.488 31.794 -0.070 1.00 0.00 N ATOM 0 H GLN A 58 20.445 31.883 4.520 1.00 0.00 H new ATOM 0 HA GLN A 58 19.984 34.508 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 58 21.693 34.201 1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 58 22.452 33.847 3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 58 22.303 31.436 2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 58 21.396 31.715 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.645 31.381 -0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 58 24.338 31.858 -0.630 1.00 0.00 H new ATOM 906 N PRO A 59 18.691 33.424 1.276 1.00 0.00 N ATOM 907 CA PRO A 59 17.726 32.796 0.374 1.00 0.00 C ATOM 908 C PRO A 59 18.352 31.724 -0.536 1.00 0.00 C ATOM 909 O PRO A 59 19.532 31.791 -0.898 1.00 0.00 O ATOM 910 CB PRO A 59 17.129 33.941 -0.448 1.00 0.00 C ATOM 911 CG PRO A 59 18.259 34.969 -0.490 1.00 0.00 C ATOM 912 CD PRO A 59 18.895 34.818 0.891 1.00 0.00 C ATOM 0 HA PRO A 59 16.970 32.258 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.846 33.613 -1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.232 34.347 0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 59 18.970 34.758 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.883 35.979 -0.655 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.957 35.063 0.861 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.432 35.494 1.610 1.00 0.00 H new ATOM 920 N VAL A 60 17.532 30.743 -0.929 1.00 0.00 N ATOM 921 CA VAL A 60 17.863 29.695 -1.914 1.00 0.00 C ATOM 922 C VAL A 60 18.339 30.281 -3.252 1.00 0.00 C ATOM 923 O VAL A 60 17.793 31.266 -3.753 1.00 0.00 O ATOM 924 CB VAL A 60 16.671 28.723 -2.105 1.00 0.00 C ATOM 925 CG1 VAL A 60 15.349 29.423 -2.451 1.00 0.00 C ATOM 926 CG2 VAL A 60 16.898 27.648 -3.179 1.00 0.00 C ATOM 0 H VAL A 60 16.586 30.649 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 60 18.701 29.125 -1.513 1.00 0.00 H new ATOM 0 HB VAL A 60 16.603 28.253 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.563 28.678 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 60 15.080 30.110 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 60 15.464 29.979 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 60 16.016 27.011 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 60 17.076 28.127 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 60 17.763 27.042 -2.910 1.00 0.00 H new ATOM 936 N VAL A 61 19.344 29.628 -3.845 1.00 0.00 N ATOM 937 CA VAL A 61 19.845 29.869 -5.217 1.00 0.00 C ATOM 938 C VAL A 61 19.606 28.612 -6.056 1.00 0.00 C ATOM 939 O VAL A 61 19.798 27.507 -5.552 1.00 0.00 O ATOM 940 CB VAL A 61 21.342 30.256 -5.187 1.00 0.00 C ATOM 941 CG1 VAL A 61 21.964 30.401 -6.582 1.00 0.00 C ATOM 942 CG2 VAL A 61 21.561 31.576 -4.441 1.00 0.00 C ATOM 0 H VAL A 61 19.856 28.885 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 61 19.307 30.703 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 61 21.833 29.431 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.015 30.674 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 61 21.882 29.455 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.437 31.178 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.623 31.820 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.007 32.372 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.208 31.477 -3.414 1.00 0.00 H new ATOM 952 N GLU A 62 19.213 28.753 -7.326 1.00 0.00 N ATOM 953 CA GLU A 62 18.943 27.637 -8.250 1.00 0.00 C ATOM 954 C GLU A 62 19.595 27.913 -9.620 1.00 0.00 C ATOM 955 O GLU A 62 19.270 28.900 -10.284 1.00 0.00 O ATOM 956 CB GLU A 62 17.425 27.430 -8.429 1.00 0.00 C ATOM 957 CG GLU A 62 16.671 27.166 -7.119 1.00 0.00 C ATOM 958 CD GLU A 62 15.172 26.913 -7.366 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.408 27.887 -7.578 1.00 0.00 O ATOM 960 OE2 GLU A 62 14.722 25.743 -7.314 1.00 0.00 O ATOM 0 H GLU A 62 19.069 29.667 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 62 19.371 26.730 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.002 28.314 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.261 26.592 -9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.108 26.304 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.791 28.019 -6.452 1.00 0.00 H new ATOM 967 N VAL A 63 20.514 27.045 -10.053 1.00 0.00 N ATOM 968 CA VAL A 63 21.283 27.129 -11.306 1.00 0.00 C ATOM 969 C VAL A 63 20.594 26.337 -12.428 1.00 0.00 C ATOM 970 O VAL A 63 19.879 25.369 -12.159 1.00 0.00 O ATOM 971 CB VAL A 63 22.688 26.574 -11.020 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.641 26.612 -12.210 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.396 27.286 -9.861 1.00 0.00 C ATOM 0 H VAL A 63 20.758 26.216 -9.510 1.00 0.00 H new ATOM 0 HA VAL A 63 21.346 28.163 -11.646 1.00 0.00 H new ATOM 0 HB VAL A 63 22.477 25.536 -10.763 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.607 26.201 -11.916 1.00 0.00 H new ATOM 0 HG12 VAL A 63 23.228 26.019 -13.026 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.770 27.643 -12.540 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.382 26.846 -9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.503 28.345 -10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.807 27.174 -8.951 1.00 0.00 H new ATOM 983 N GLY A 64 20.833 26.692 -13.697 1.00 0.00 N ATOM 984 CA GLY A 64 20.253 25.994 -14.850 1.00 0.00 C ATOM 985 C GLY A 64 18.758 26.300 -14.999 1.00 0.00 C ATOM 986 O GLY A 64 18.403 27.397 -15.435 1.00 0.00 O ATOM 0 H GLY A 64 21.436 27.474 -13.953 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.778 26.290 -15.758 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.396 24.919 -14.736 1.00 0.00 H new ATOM 990 N THR A 65 17.882 25.350 -14.643 1.00 0.00 N ATOM 991 CA THR A 65 16.430 25.612 -14.532 1.00 0.00 C ATOM 992 C THR A 65 15.744 24.655 -13.545 1.00 0.00 C ATOM 993 O THR A 65 16.293 23.627 -13.163 1.00 0.00 O ATOM 994 CB THR A 65 15.724 25.656 -15.905 1.00 0.00 C ATOM 995 OG1 THR A 65 14.437 26.219 -15.758 1.00 0.00 O ATOM 996 CG2 THR A 65 15.565 24.313 -16.614 1.00 0.00 C ATOM 0 H THR A 65 18.149 24.390 -14.426 1.00 0.00 H new ATOM 0 HA THR A 65 16.329 26.614 -14.114 1.00 0.00 H new ATOM 0 HB THR A 65 16.384 26.258 -16.530 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.991 26.248 -16.630 1.00 0.00 H new ATOM 0 HG21 THR A 65 15.057 24.462 -17.567 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.548 23.877 -16.791 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.976 23.640 -15.991 1.00 0.00 H new ATOM 1004 N LYS A 66 14.554 25.015 -13.064 1.00 0.00 N ATOM 1005 CA LYS A 66 13.854 24.317 -11.978 1.00 0.00 C ATOM 1006 C LYS A 66 13.303 22.945 -12.436 1.00 0.00 C ATOM 1007 O LYS A 66 12.569 22.892 -13.429 1.00 0.00 O ATOM 1008 CB LYS A 66 12.752 25.228 -11.409 1.00 0.00 C ATOM 1009 CG LYS A 66 12.305 24.763 -10.017 1.00 0.00 C ATOM 1010 CD LYS A 66 11.211 25.682 -9.452 1.00 0.00 C ATOM 1011 CE LYS A 66 10.928 25.378 -7.975 1.00 0.00 C ATOM 1012 NZ LYS A 66 11.953 25.977 -7.077 1.00 0.00 N ATOM 0 H LYS A 66 14.036 25.817 -13.424 1.00 0.00 H new ATOM 0 HA LYS A 66 14.566 24.101 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.119 26.253 -11.352 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.897 25.233 -12.085 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.932 23.741 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.160 24.753 -9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.518 26.722 -9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.296 25.559 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.943 25.761 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.901 24.299 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.825 25.612 -6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.903 25.727 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.848 27.012 -7.072 1.00 0.00 H new ATOM 1026 N PRO A 67 13.622 21.839 -11.734 1.00 0.00 N ATOM 1027 CA PRO A 67 13.232 20.484 -12.119 1.00 0.00 C ATOM 1028 C PRO A 67 11.785 20.104 -11.768 1.00 0.00 C ATOM 1029 O PRO A 67 11.183 20.621 -10.825 1.00 0.00 O ATOM 1030 CB PRO A 67 14.196 19.561 -11.392 1.00 0.00 C ATOM 1031 CG PRO A 67 14.576 20.341 -10.142 1.00 0.00 C ATOM 1032 CD PRO A 67 14.542 21.791 -10.610 1.00 0.00 C ATOM 0 HA PRO A 67 13.277 20.403 -13.205 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.727 18.610 -11.142 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.070 19.335 -12.003 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.873 20.164 -9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.564 20.059 -9.777 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.210 22.450 -9.808 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.536 22.126 -10.907 1.00 0.00 H new ATOM 1040 N THR A 68 11.260 19.131 -12.523 1.00 0.00 N ATOM 1041 CA THR A 68 9.819 18.780 -12.491 1.00 0.00 C ATOM 1042 C THR A 68 9.387 17.822 -11.365 1.00 0.00 C ATOM 1043 O THR A 68 8.199 17.751 -11.046 1.00 0.00 O ATOM 1044 CB THR A 68 9.401 18.266 -13.884 1.00 0.00 C ATOM 1045 OG1 THR A 68 7.997 18.210 -14.032 1.00 0.00 O ATOM 1046 CG2 THR A 68 9.983 16.891 -14.221 1.00 0.00 C ATOM 0 H THR A 68 11.809 18.565 -13.170 1.00 0.00 H new ATOM 0 HA THR A 68 9.283 19.697 -12.244 1.00 0.00 H new ATOM 0 HB THR A 68 9.814 18.995 -14.581 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.581 18.079 -13.155 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.650 16.588 -15.214 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.072 16.942 -14.203 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.642 16.162 -13.486 1.00 0.00 H new ATOM 1054 N GLY A 69 10.327 17.065 -10.786 1.00 0.00 N ATOM 1055 CA GLY A 69 10.076 16.005 -9.785 1.00 0.00 C ATOM 1056 C GLY A 69 10.499 14.611 -10.265 1.00 0.00 C ATOM 1057 O GLY A 69 10.960 13.783 -9.481 1.00 0.00 O ATOM 0 H GLY A 69 11.318 17.172 -11.004 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.614 16.245 -8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.014 15.991 -9.538 1.00 0.00 H new ATOM 1061 N ASP A 70 10.420 14.387 -11.579 1.00 0.00 N ATOM 1062 CA ASP A 70 10.981 13.226 -12.279 1.00 0.00 C ATOM 1063 C ASP A 70 12.475 13.465 -12.545 1.00 0.00 C ATOM 1064 O ASP A 70 12.941 13.547 -13.684 1.00 0.00 O ATOM 1065 CB ASP A 70 10.169 12.864 -13.528 1.00 0.00 C ATOM 1066 CG ASP A 70 8.784 12.318 -13.159 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.720 11.129 -12.756 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.774 13.050 -13.287 1.00 0.00 O ATOM 0 H ASP A 70 9.946 15.033 -12.210 1.00 0.00 H new ATOM 0 HA ASP A 70 10.906 12.343 -11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.057 13.746 -14.159 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.711 12.120 -14.113 1.00 0.00 H new ATOM 1073 N VAL A 71 13.219 13.649 -11.451 1.00 0.00 N ATOM 1074 CA VAL A 71 14.644 13.979 -11.414 1.00 0.00 C ATOM 1075 C VAL A 71 15.340 13.220 -10.272 1.00 0.00 C ATOM 1076 O VAL A 71 14.725 12.875 -9.260 1.00 0.00 O ATOM 1077 CB VAL A 71 14.878 15.505 -11.286 1.00 0.00 C ATOM 1078 CG1 VAL A 71 14.329 16.295 -12.496 1.00 0.00 C ATOM 1079 CG2 VAL A 71 14.318 16.093 -9.983 1.00 0.00 C ATOM 0 H VAL A 71 12.820 13.567 -10.516 1.00 0.00 H new ATOM 0 HA VAL A 71 15.082 13.664 -12.361 1.00 0.00 H new ATOM 0 HB VAL A 71 15.962 15.618 -11.265 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.520 17.359 -12.353 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.824 15.956 -13.406 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.255 16.128 -12.583 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.514 17.165 -9.954 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.243 15.919 -9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.799 15.613 -9.131 1.00 0.00 H new ATOM 1089 N LEU A 72 16.637 12.966 -10.432 1.00 0.00 N ATOM 1090 CA LEU A 72 17.548 12.448 -9.405 1.00 0.00 C ATOM 1091 C LEU A 72 17.967 13.593 -8.493 1.00 0.00 C ATOM 1092 O LEU A 72 18.149 14.711 -8.980 1.00 0.00 O ATOM 1093 CB LEU A 72 18.807 11.884 -10.085 1.00 0.00 C ATOM 1094 CG LEU A 72 18.504 10.702 -11.003 1.00 0.00 C ATOM 1095 CD1 LEU A 72 19.558 10.552 -12.095 1.00 0.00 C ATOM 1096 CD2 LEU A 72 18.442 9.409 -10.199 1.00 0.00 C ATOM 0 H LEU A 72 17.107 13.122 -11.323 1.00 0.00 H new ATOM 0 HA LEU A 72 17.048 11.668 -8.831 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.287 12.674 -10.663 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.518 11.572 -9.321 1.00 0.00 H new ATOM 0 HG LEU A 72 17.540 10.898 -11.472 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.308 9.700 -12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.586 11.458 -12.700 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.534 10.390 -11.638 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.225 8.575 -10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.400 9.240 -9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.656 9.485 -9.447 1.00 0.00 H new ATOM 1108 N GLN A 73 18.187 13.341 -7.204 1.00 0.00 N ATOM 1109 CA GLN A 73 18.567 14.371 -6.229 1.00 0.00 C ATOM 1110 C GLN A 73 19.842 13.946 -5.487 1.00 0.00 C ATOM 1111 O GLN A 73 19.807 13.057 -4.638 1.00 0.00 O ATOM 1112 CB GLN A 73 17.398 14.577 -5.252 1.00 0.00 C ATOM 1113 CG GLN A 73 16.175 15.227 -5.917 1.00 0.00 C ATOM 1114 CD GLN A 73 15.186 15.763 -4.882 1.00 0.00 C ATOM 1115 OE1 GLN A 73 14.841 15.112 -3.903 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.705 16.976 -5.043 1.00 0.00 N ATOM 0 H GLN A 73 18.107 12.408 -6.799 1.00 0.00 H new ATOM 0 HA GLN A 73 18.777 15.313 -6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.108 13.614 -4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.729 15.201 -4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.502 16.041 -6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.676 14.496 -6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.982 17.531 -5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.055 17.362 -4.358 1.00 0.00 H new ATOM 1125 N GLY A 74 20.976 14.573 -5.802 1.00 0.00 N ATOM 1126 CA GLY A 74 22.225 14.445 -5.048 1.00 0.00 C ATOM 1127 C GLY A 74 22.268 15.491 -3.938 1.00 0.00 C ATOM 1128 O GLY A 74 21.704 16.566 -4.112 1.00 0.00 O ATOM 0 H GLY A 74 21.054 15.197 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.302 13.445 -4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.078 14.574 -5.715 1.00 0.00 H new ATOM 1132 N ARG A 75 22.923 15.215 -2.807 1.00 0.00 N ATOM 1133 CA ARG A 75 22.866 16.062 -1.598 1.00 0.00 C ATOM 1134 C ARG A 75 24.178 16.022 -0.806 1.00 0.00 C ATOM 1135 O ARG A 75 24.812 14.974 -0.705 1.00 0.00 O ATOM 1136 CB ARG A 75 21.683 15.614 -0.711 1.00 0.00 C ATOM 1137 CG ARG A 75 21.275 16.680 0.325 1.00 0.00 C ATOM 1138 CD ARG A 75 20.424 16.069 1.449 1.00 0.00 C ATOM 1139 NE ARG A 75 19.993 17.077 2.443 1.00 0.00 N ATOM 1140 CZ ARG A 75 20.734 17.762 3.300 1.00 0.00 C ATOM 1141 NH1 ARG A 75 22.020 17.587 3.428 1.00 0.00 N ATOM 1142 NH2 ARG A 75 20.186 18.671 4.050 1.00 0.00 N ATOM 0 H ARG A 75 23.515 14.392 -2.697 1.00 0.00 H new ATOM 0 HA ARG A 75 22.717 17.094 -1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.827 15.384 -1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.952 14.694 -0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 75 22.168 17.138 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.714 17.474 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 75 19.545 15.591 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.997 15.289 1.951 1.00 0.00 H new ATOM 0 HE ARG A 75 18.992 17.270 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 75 22.500 16.896 2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 75 22.545 18.141 4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.186 18.856 3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.756 19.199 4.710 1.00 0.00 H new ATOM 1156 N ALA A 76 24.556 17.161 -0.224 1.00 0.00 N ATOM 1157 CA ALA A 76 25.745 17.304 0.618 1.00 0.00 C ATOM 1158 C ALA A 76 25.619 18.428 1.661 1.00 0.00 C ATOM 1159 O ALA A 76 24.732 19.274 1.563 1.00 0.00 O ATOM 1160 CB ALA A 76 26.925 17.554 -0.322 1.00 0.00 C ATOM 0 H ALA A 76 24.032 18.030 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 76 25.885 16.395 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.838 17.668 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 76 27.033 16.710 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.746 18.463 -0.896 1.00 0.00 H new ATOM 1166 N THR A 77 26.544 18.459 2.624 1.00 0.00 N ATOM 1167 CA THR A 77 26.719 19.537 3.615 1.00 0.00 C ATOM 1168 C THR A 77 28.201 19.898 3.724 1.00 0.00 C ATOM 1169 O THR A 77 29.049 19.023 3.919 1.00 0.00 O ATOM 1170 CB THR A 77 26.145 19.119 4.983 1.00 0.00 C ATOM 1171 OG1 THR A 77 24.746 19.292 4.964 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.673 19.917 6.179 1.00 0.00 C ATOM 0 H THR A 77 27.221 17.706 2.744 1.00 0.00 H new ATOM 0 HA THR A 77 26.169 20.418 3.285 1.00 0.00 H new ATOM 0 HB THR A 77 26.457 18.083 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 77 24.535 20.247 4.897 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.211 19.549 7.095 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.755 19.799 6.246 1.00 0.00 H new ATOM 0 HG23 THR A 77 26.430 20.972 6.049 1.00 0.00 H new ATOM 1180 N GLY A 78 28.509 21.186 3.595 1.00 0.00 N ATOM 1181 CA GLY A 78 29.849 21.755 3.708 1.00 0.00 C ATOM 1182 C GLY A 78 30.328 21.998 5.141 1.00 0.00 C ATOM 1183 O GLY A 78 29.658 21.684 6.127 1.00 0.00 O ATOM 0 H GLY A 78 27.800 21.893 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 78 30.554 21.087 3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.873 22.701 3.167 1.00 0.00 H new ATOM 1187 N GLU A 79 31.503 22.609 5.225 1.00 0.00 N ATOM 1188 CA GLU A 79 32.158 23.009 6.467 1.00 0.00 C ATOM 1189 C GLU A 79 31.292 23.975 7.293 1.00 0.00 C ATOM 1190 O GLU A 79 31.129 23.751 8.494 1.00 0.00 O ATOM 1191 CB GLU A 79 33.535 23.623 6.169 1.00 0.00 C ATOM 1192 CG GLU A 79 34.563 22.562 5.757 1.00 0.00 C ATOM 1193 CD GLU A 79 35.957 23.187 5.573 1.00 0.00 C ATOM 1194 OE1 GLU A 79 36.719 23.279 6.568 1.00 0.00 O ATOM 1195 OE2 GLU A 79 36.314 23.575 4.434 1.00 0.00 O ATOM 0 H GLU A 79 32.049 22.850 4.397 1.00 0.00 H new ATOM 0 HA GLU A 79 32.296 22.112 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.438 24.361 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 79 33.894 24.152 7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 79 34.608 21.780 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 79 34.248 22.087 4.828 1.00 0.00 H new ATOM 1202 N GLU A 80 30.681 25.005 6.681 1.00 0.00 N ATOM 1203 CA GLU A 80 29.976 26.043 7.459 1.00 0.00 C ATOM 1204 C GLU A 80 28.592 25.633 7.977 1.00 0.00 C ATOM 1205 O GLU A 80 27.883 26.422 8.608 1.00 0.00 O ATOM 1206 CB GLU A 80 29.858 27.306 6.609 1.00 0.00 C ATOM 1207 CG GLU A 80 31.198 27.807 6.067 1.00 0.00 C ATOM 1208 CD GLU A 80 32.219 28.117 7.179 1.00 0.00 C ATOM 1209 OE1 GLU A 80 32.040 29.123 7.909 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.206 27.357 7.332 1.00 0.00 O ATOM 0 H GLU A 80 30.659 25.142 5.670 1.00 0.00 H new ATOM 0 HA GLU A 80 30.577 26.215 8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.188 27.109 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 80 29.400 28.094 7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 80 31.616 27.056 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.031 28.706 5.474 1.00 0.00 H new ATOM 1217 N GLY A 81 28.213 24.387 7.715 1.00 0.00 N ATOM 1218 CA GLY A 81 27.011 23.746 8.248 1.00 0.00 C ATOM 1219 C GLY A 81 25.791 23.888 7.338 1.00 0.00 C ATOM 1220 O GLY A 81 24.651 23.836 7.801 1.00 0.00 O ATOM 0 H GLY A 81 28.751 23.772 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 81 27.214 22.687 8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 81 26.780 24.177 9.222 1.00 0.00 H new ATOM 1224 N GLU A 82 26.031 24.116 6.046 1.00 0.00 N ATOM 1225 CA GLU A 82 25.009 24.387 5.030 1.00 0.00 C ATOM 1226 C GLU A 82 24.449 23.121 4.345 1.00 0.00 C ATOM 1227 O GLU A 82 24.549 22.006 4.865 1.00 0.00 O ATOM 1228 CB GLU A 82 25.602 25.439 4.078 1.00 0.00 C ATOM 1229 CG GLU A 82 26.878 25.039 3.319 1.00 0.00 C ATOM 1230 CD GLU A 82 26.561 24.112 2.141 1.00 0.00 C ATOM 1231 OE1 GLU A 82 26.055 24.619 1.117 1.00 0.00 O ATOM 1232 OE2 GLU A 82 26.775 22.884 2.274 1.00 0.00 O ATOM 0 H GLU A 82 26.976 24.117 5.663 1.00 0.00 H new ATOM 0 HA GLU A 82 24.107 24.788 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 82 24.839 25.705 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 82 25.817 26.338 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.382 25.934 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.567 24.541 4.001 1.00 0.00 H new ATOM 1239 N THR A 83 23.787 23.272 3.196 1.00 0.00 N ATOM 1240 CA THR A 83 23.287 22.167 2.375 1.00 0.00 C ATOM 1241 C THR A 83 23.349 22.508 0.883 1.00 0.00 C ATOM 1242 O THR A 83 22.789 23.507 0.425 1.00 0.00 O ATOM 1243 CB THR A 83 21.863 21.789 2.817 1.00 0.00 C ATOM 1244 OG1 THR A 83 21.948 21.027 4.005 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.080 20.959 1.801 1.00 0.00 C ATOM 0 H THR A 83 23.579 24.189 2.801 1.00 0.00 H new ATOM 0 HA THR A 83 23.931 21.301 2.524 1.00 0.00 H new ATOM 0 HB THR A 83 21.330 22.731 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.826 21.162 4.418 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.089 20.740 2.197 1.00 0.00 H new ATOM 0 HG22 THR A 83 20.983 21.519 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.609 20.025 1.609 1.00 0.00 H new ATOM 1253 N VAL A 84 23.952 21.603 0.110 1.00 0.00 N ATOM 1254 CA VAL A 84 23.963 21.586 -1.359 1.00 0.00 C ATOM 1255 C VAL A 84 23.022 20.498 -1.854 1.00 0.00 C ATOM 1256 O VAL A 84 22.981 19.402 -1.295 1.00 0.00 O ATOM 1257 CB VAL A 84 25.389 21.337 -1.896 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.452 21.107 -3.413 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.291 22.526 -1.582 1.00 0.00 C ATOM 0 H VAL A 84 24.473 20.822 0.509 1.00 0.00 H new ATOM 0 HA VAL A 84 23.629 22.557 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 84 25.724 20.428 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.486 20.940 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.853 20.235 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 84 25.062 21.983 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.293 22.335 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.887 23.423 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.339 22.671 -0.503 1.00 0.00 H new ATOM 1269 N LEU A 85 22.323 20.781 -2.951 1.00 0.00 N ATOM 1270 CA LEU A 85 21.531 19.822 -3.710 1.00 0.00 C ATOM 1271 C LEU A 85 21.915 19.908 -5.203 1.00 0.00 C ATOM 1272 O LEU A 85 22.150 20.988 -5.739 1.00 0.00 O ATOM 1273 CB LEU A 85 20.035 20.080 -3.448 1.00 0.00 C ATOM 1274 CG LEU A 85 19.111 18.956 -3.961 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.969 17.819 -2.949 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.708 19.486 -4.229 1.00 0.00 C ATOM 0 H LEU A 85 22.293 21.720 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 85 21.738 18.801 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.879 20.205 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.749 21.018 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 85 19.574 18.585 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.310 17.051 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.949 17.386 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.547 18.207 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.075 18.675 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.289 19.890 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.754 20.273 -4.982 1.00 0.00 H new ATOM 1288 N VAL A 86 21.968 18.763 -5.871 1.00 0.00 N ATOM 1289 CA VAL A 86 22.175 18.628 -7.324 1.00 0.00 C ATOM 1290 C VAL A 86 20.987 17.890 -7.912 1.00 0.00 C ATOM 1291 O VAL A 86 20.541 16.909 -7.320 1.00 0.00 O ATOM 1292 CB VAL A 86 23.492 17.903 -7.659 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.720 17.854 -9.170 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.692 18.610 -7.018 1.00 0.00 C ATOM 0 H VAL A 86 21.865 17.861 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 86 22.254 19.623 -7.762 1.00 0.00 H new ATOM 0 HB VAL A 86 23.406 16.891 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.656 17.337 -9.380 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.897 17.321 -9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.770 18.869 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.607 18.076 -7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.754 19.632 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.569 18.625 -5.935 1.00 0.00 H new ATOM 1304 N GLU A 87 20.462 18.334 -9.054 1.00 0.00 N ATOM 1305 CA GLU A 87 19.270 17.736 -9.660 1.00 0.00 C ATOM 1306 C GLU A 87 19.467 17.447 -11.159 1.00 0.00 C ATOM 1307 O GLU A 87 19.955 18.284 -11.921 1.00 0.00 O ATOM 1308 CB GLU A 87 18.010 18.560 -9.333 1.00 0.00 C ATOM 1309 CG GLU A 87 17.805 18.685 -7.812 1.00 0.00 C ATOM 1310 CD GLU A 87 16.428 19.265 -7.444 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.469 18.473 -7.273 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.312 20.505 -7.290 1.00 0.00 O ATOM 0 H GLU A 87 20.848 19.115 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 87 19.109 16.757 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 87 18.097 19.553 -9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.137 18.088 -9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.915 17.703 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.586 19.321 -7.395 1.00 0.00 H new ATOM 1319 N GLU A 88 19.117 16.218 -11.549 1.00 0.00 N ATOM 1320 CA GLU A 88 19.404 15.636 -12.871 1.00 0.00 C ATOM 1321 C GLU A 88 18.169 14.944 -13.479 1.00 0.00 C ATOM 1322 O GLU A 88 17.448 14.272 -12.744 1.00 0.00 O ATOM 1323 CB GLU A 88 20.518 14.592 -12.706 1.00 0.00 C ATOM 1324 CG GLU A 88 21.950 15.107 -12.752 1.00 0.00 C ATOM 1325 CD GLU A 88 22.414 15.293 -14.191 1.00 0.00 C ATOM 1326 OE1 GLU A 88 22.004 16.277 -14.834 1.00 0.00 O ATOM 1327 OE2 GLU A 88 23.206 14.472 -14.705 1.00 0.00 O ATOM 0 H GLU A 88 18.610 15.578 -10.937 1.00 0.00 H new ATOM 0 HA GLU A 88 19.702 16.442 -13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.370 14.084 -11.753 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.401 13.843 -13.489 1.00 0.00 H new ATOM 0 HG2 GLU A 88 22.017 16.055 -12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 88 22.610 14.406 -12.241 1.00 0.00 H new ATOM 1334 N PRO A 89 17.922 15.020 -14.799 1.00 0.00 N ATOM 1335 CA PRO A 89 16.793 14.344 -15.444 1.00 0.00 C ATOM 1336 C PRO A 89 16.829 12.814 -15.247 1.00 0.00 C ATOM 1337 O PRO A 89 17.853 12.165 -15.495 1.00 0.00 O ATOM 1338 CB PRO A 89 16.877 14.734 -16.926 1.00 0.00 C ATOM 1339 CG PRO A 89 18.355 15.077 -17.127 1.00 0.00 C ATOM 1340 CD PRO A 89 18.730 15.706 -15.793 1.00 0.00 C ATOM 0 HA PRO A 89 15.846 14.652 -15.000 1.00 0.00 H new ATOM 0 HB2 PRO A 89 16.564 13.915 -17.574 1.00 0.00 H new ATOM 0 HB3 PRO A 89 16.234 15.584 -17.154 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.952 14.190 -17.340 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.502 15.768 -17.957 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.793 15.584 -15.587 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.526 16.777 -15.793 1.00 0.00 H new ATOM 1348 N ARG A 90 15.694 12.244 -14.816 1.00 0.00 N ATOM 1349 CA ARG A 90 15.499 10.800 -14.593 1.00 0.00 C ATOM 1350 C ARG A 90 15.143 10.051 -15.888 1.00 0.00 C ATOM 1351 O ARG A 90 15.803 9.026 -16.177 1.00 0.00 O ATOM 1352 CB ARG A 90 14.467 10.586 -13.473 1.00 0.00 C ATOM 1353 CG ARG A 90 14.350 9.119 -13.039 1.00 0.00 C ATOM 1354 CD ARG A 90 13.321 8.976 -11.910 1.00 0.00 C ATOM 1355 NE ARG A 90 11.923 9.181 -12.357 1.00 0.00 N ATOM 1356 CZ ARG A 90 11.148 8.329 -13.005 1.00 0.00 C ATOM 1357 NH1 ARG A 90 11.560 7.147 -13.367 1.00 0.00 N ATOM 1358 NH2 ARG A 90 9.924 8.651 -13.305 1.00 0.00 N ATOM 1359 OXT ARG A 90 14.216 10.483 -16.612 1.00 0.00 O ATOM 0 H ARG A 90 14.859 12.791 -14.606 1.00 0.00 H new ATOM 0 HA ARG A 90 16.445 10.366 -14.268 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.743 11.193 -12.611 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.493 10.938 -13.812 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.055 8.504 -13.889 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.321 8.754 -12.703 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.412 7.983 -11.470 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.552 9.695 -11.124 1.00 0.00 H new ATOM 0 HE ARG A 90 11.510 10.088 -12.139 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.512 6.851 -13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.931 6.518 -13.866 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.558 9.565 -13.040 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.331 7.989 -13.805 1.00 0.00 H new