USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 511 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 42 THR OG1 : rot -15:sc= 0.151 USER MOD Set 1.2: A 56 ASN : amide:sc= 0.834 K(o=0.99,f=-1.8) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0016 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.99 X(o=-0.99,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 38:sc= 0.0359 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.157) USER MOD Single : A 75 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.96) USER MOD Single : A 78 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.014) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 0.962 4.613 14.598 1.00 0.00 N ATOM 190 CA ALA A 13 1.899 4.124 13.545 1.00 0.00 C ATOM 191 C ALA A 13 3.057 3.351 14.183 1.00 0.00 C ATOM 192 O ALA A 13 3.318 3.465 15.364 1.00 0.00 O ATOM 193 CB ALA A 13 2.414 5.388 12.856 1.00 0.00 C ATOM 0 HA ALA A 13 1.414 3.445 12.844 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.112 5.113 12.065 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.575 5.935 12.425 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.922 6.019 13.585 1.00 0.00 H new ATOM 199 N GLY A 14 3.753 2.562 13.408 1.00 0.00 N ATOM 200 CA GLY A 14 4.893 1.781 13.970 1.00 0.00 C ATOM 201 C GLY A 14 6.212 2.327 13.420 1.00 0.00 C ATOM 202 O GLY A 14 6.658 3.393 13.795 1.00 0.00 O ATOM 0 H GLY A 14 3.582 2.425 12.412 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.888 1.843 15.058 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.788 0.728 13.711 1.00 0.00 H new ATOM 206 N GLU A 15 6.842 1.603 12.534 1.00 0.00 N ATOM 207 CA GLU A 15 8.135 2.083 11.964 1.00 0.00 C ATOM 208 C GLU A 15 8.205 1.769 10.466 1.00 0.00 C ATOM 209 O GLU A 15 8.425 0.642 10.068 1.00 0.00 O ATOM 210 CB GLU A 15 9.213 1.312 12.725 1.00 0.00 C ATOM 211 CG GLU A 15 10.582 1.935 12.442 1.00 0.00 C ATOM 212 CD GLU A 15 11.491 1.751 13.659 1.00 0.00 C ATOM 213 OE1 GLU A 15 10.966 1.539 14.740 1.00 0.00 O ATOM 214 OE2 GLU A 15 12.697 1.824 13.488 1.00 0.00 O ATOM 0 H GLU A 15 6.519 0.702 12.181 1.00 0.00 H new ATOM 0 HA GLU A 15 8.256 3.161 12.066 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.005 1.335 13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.208 0.265 12.422 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.031 1.468 11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.470 2.995 12.216 1.00 0.00 H new ATOM 221 N GLY A 16 8.022 2.759 9.634 1.00 0.00 N ATOM 222 CA GLY A 16 8.081 2.517 8.164 1.00 0.00 C ATOM 223 C GLY A 16 6.705 2.776 7.547 1.00 0.00 C ATOM 224 O GLY A 16 6.590 3.328 6.471 1.00 0.00 O ATOM 0 H GLY A 16 7.834 3.723 9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.825 3.170 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.393 1.491 7.966 1.00 0.00 H new ATOM 228 N GLU A 17 5.661 2.379 8.221 1.00 0.00 N ATOM 229 CA GLU A 17 4.290 2.597 7.674 1.00 0.00 C ATOM 230 C GLU A 17 4.074 4.081 7.341 1.00 0.00 C ATOM 231 O GLU A 17 4.735 4.950 7.873 1.00 0.00 O ATOM 232 CB GLU A 17 3.335 2.121 8.787 1.00 0.00 C ATOM 233 CG GLU A 17 3.195 3.184 9.889 1.00 0.00 C ATOM 234 CD GLU A 17 4.564 3.485 10.501 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.286 2.542 10.778 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.867 4.653 10.680 1.00 0.00 O ATOM 0 H GLU A 17 5.697 1.913 9.127 1.00 0.00 H new ATOM 0 HA GLU A 17 4.121 2.052 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.356 1.903 8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.709 1.192 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.764 4.095 9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.512 2.831 10.661 1.00 0.00 H new ATOM 243 N ILE A 18 3.149 4.372 6.468 1.00 0.00 N ATOM 244 CA ILE A 18 2.884 5.794 6.105 1.00 0.00 C ATOM 245 C ILE A 18 1.461 6.186 6.529 1.00 0.00 C ATOM 246 O ILE A 18 0.502 5.799 5.891 1.00 0.00 O ATOM 247 CB ILE A 18 3.026 5.851 4.584 1.00 0.00 C ATOM 248 CG1 ILE A 18 4.457 5.474 4.192 1.00 0.00 C ATOM 249 CG2 ILE A 18 2.721 7.267 4.094 1.00 0.00 C ATOM 250 CD1 ILE A 18 4.532 3.973 3.911 1.00 0.00 C ATOM 0 H ILE A 18 2.565 3.686 5.990 1.00 0.00 H new ATOM 0 HA ILE A 18 3.568 6.483 6.601 1.00 0.00 H new ATOM 0 HB ILE A 18 2.326 5.151 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.763 6.035 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.146 5.739 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.823 7.306 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.703 7.537 4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.420 7.968 4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.551 3.706 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.244 3.421 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.855 3.721 3.095 1.00 0.00 H new ATOM 262 N PRO A 19 1.365 6.940 7.597 1.00 0.00 N ATOM 263 CA PRO A 19 0.037 7.372 8.100 1.00 0.00 C ATOM 264 C PRO A 19 -0.583 8.410 7.158 1.00 0.00 C ATOM 265 O PRO A 19 0.081 9.315 6.693 1.00 0.00 O ATOM 266 CB PRO A 19 0.348 7.986 9.462 1.00 0.00 C ATOM 267 CG PRO A 19 1.779 8.409 9.377 1.00 0.00 C ATOM 268 CD PRO A 19 2.461 7.457 8.431 1.00 0.00 C ATOM 0 HA PRO A 19 -0.682 6.555 8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.303 8.835 9.670 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.197 7.264 10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.858 9.435 9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.249 8.380 10.360 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.216 7.964 7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.967 6.655 8.968 1.00 0.00 H new ATOM 276 N ALA A 20 -1.851 8.283 6.874 1.00 0.00 N ATOM 277 CA ALA A 20 -2.514 9.260 5.963 1.00 0.00 C ATOM 278 C ALA A 20 -2.518 10.658 6.596 1.00 0.00 C ATOM 279 O ALA A 20 -2.747 10.793 7.782 1.00 0.00 O ATOM 280 CB ALA A 20 -3.942 8.740 5.799 1.00 0.00 C ATOM 0 H ALA A 20 -2.457 7.545 7.233 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.000 9.348 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.498 9.406 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.918 7.740 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.430 8.703 6.773 1.00 0.00 H new ATOM 286 N PRO A 21 -2.263 11.659 5.787 1.00 0.00 N ATOM 287 CA PRO A 21 -2.238 13.052 6.294 1.00 0.00 C ATOM 288 C PRO A 21 -3.661 13.558 6.552 1.00 0.00 C ATOM 289 O PRO A 21 -3.875 14.457 7.341 1.00 0.00 O ATOM 290 CB PRO A 21 -1.584 13.836 5.162 1.00 0.00 C ATOM 291 CG PRO A 21 -1.848 13.035 3.926 1.00 0.00 C ATOM 292 CD PRO A 21 -1.976 11.593 4.346 1.00 0.00 C ATOM 0 HA PRO A 21 -1.705 13.150 7.240 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.008 14.837 5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.514 13.956 5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.760 13.375 3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.036 13.156 3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.777 11.090 3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.059 11.038 4.148 1.00 0.00 H new ATOM 300 N LEU A 22 -4.635 12.992 5.892 1.00 0.00 N ATOM 301 CA LEU A 22 -6.039 13.449 6.102 1.00 0.00 C ATOM 302 C LEU A 22 -6.962 12.249 6.335 1.00 0.00 C ATOM 303 O LEU A 22 -6.595 11.116 6.095 1.00 0.00 O ATOM 304 CB LEU A 22 -6.414 14.175 4.809 1.00 0.00 C ATOM 305 CG LEU A 22 -6.044 15.654 4.933 1.00 0.00 C ATOM 306 CD1 LEU A 22 -5.642 16.198 3.561 1.00 0.00 C ATOM 307 CD2 LEU A 22 -7.248 16.438 5.459 1.00 0.00 C ATOM 0 H LEU A 22 -4.520 12.235 5.218 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.137 14.093 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.892 13.728 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.482 14.070 4.616 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.209 15.762 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.379 17.252 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.784 15.640 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.476 16.090 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.985 17.492 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.083 16.329 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.534 16.052 6.437 1.00 0.00 H new ATOM 319 N ALA A 23 -8.156 12.491 6.803 1.00 0.00 N ATOM 320 CA ALA A 23 -9.102 11.365 7.054 1.00 0.00 C ATOM 321 C ALA A 23 -9.667 10.841 5.731 1.00 0.00 C ATOM 322 O ALA A 23 -9.412 11.386 4.675 1.00 0.00 O ATOM 323 CB ALA A 23 -10.215 11.968 7.911 1.00 0.00 C ATOM 0 H ALA A 23 -8.518 13.419 7.023 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.618 10.522 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.954 11.200 8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.792 12.352 8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.694 12.782 7.366 1.00 0.00 H new ATOM 329 N GLY A 24 -10.434 9.786 5.780 1.00 0.00 N ATOM 330 CA GLY A 24 -11.017 9.227 4.527 1.00 0.00 C ATOM 331 C GLY A 24 -11.554 7.821 4.799 1.00 0.00 C ATOM 332 O GLY A 24 -11.461 7.312 5.898 1.00 0.00 O ATOM 0 H GLY A 24 -10.682 9.287 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.819 9.871 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.260 9.194 3.744 1.00 0.00 H new ATOM 336 N THR A 25 -12.114 7.187 3.804 1.00 0.00 N ATOM 337 CA THR A 25 -12.656 5.811 4.007 1.00 0.00 C ATOM 338 C THR A 25 -12.204 4.893 2.869 1.00 0.00 C ATOM 339 O THR A 25 -12.214 5.268 1.713 1.00 0.00 O ATOM 340 CB THR A 25 -14.177 5.977 3.993 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.539 7.077 4.815 1.00 0.00 O ATOM 342 CG2 THR A 25 -14.835 4.701 4.522 1.00 0.00 C ATOM 0 H THR A 25 -12.220 7.561 2.861 1.00 0.00 H new ATOM 0 HA THR A 25 -12.305 5.361 4.936 1.00 0.00 H new ATOM 0 HB THR A 25 -14.515 6.160 2.973 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.513 7.186 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.919 4.819 4.512 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.556 3.859 3.889 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.500 4.515 5.542 1.00 0.00 H new ATOM 350 N VAL A 26 -11.806 3.690 3.187 1.00 0.00 N ATOM 351 CA VAL A 26 -11.353 2.750 2.122 1.00 0.00 C ATOM 352 C VAL A 26 -12.540 2.311 1.261 1.00 0.00 C ATOM 353 O VAL A 26 -13.475 1.703 1.741 1.00 0.00 O ATOM 354 CB VAL A 26 -10.767 1.554 2.872 1.00 0.00 C ATOM 355 CG1 VAL A 26 -10.168 0.568 1.867 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.673 2.033 3.829 1.00 0.00 C ATOM 0 H VAL A 26 -11.775 3.319 4.136 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.626 3.208 1.451 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.556 1.062 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.750 -0.286 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.947 0.224 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.380 1.062 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.257 1.179 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.884 2.526 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.098 2.736 4.545 1.00 0.00 H new ATOM 366 N SER A 27 -12.509 2.610 -0.010 1.00 0.00 N ATOM 367 CA SER A 27 -13.637 2.204 -0.897 1.00 0.00 C ATOM 368 C SER A 27 -13.374 0.813 -1.481 1.00 0.00 C ATOM 369 O SER A 27 -14.289 0.073 -1.781 1.00 0.00 O ATOM 370 CB SER A 27 -13.668 3.254 -2.006 1.00 0.00 C ATOM 371 OG SER A 27 -15.006 3.425 -2.453 1.00 0.00 O ATOM 0 H SER A 27 -11.753 3.117 -0.471 1.00 0.00 H new ATOM 0 HA SER A 27 -14.585 2.150 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.272 4.200 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.032 2.943 -2.835 1.00 0.00 H new ATOM 0 HG SER A 27 -15.030 4.099 -3.164 1.00 0.00 H new ATOM 377 N LYS A 28 -12.131 0.452 -1.643 1.00 0.00 N ATOM 378 CA LYS A 28 -11.813 -0.891 -2.206 1.00 0.00 C ATOM 379 C LYS A 28 -10.305 -1.153 -2.131 1.00 0.00 C ATOM 380 O LYS A 28 -9.505 -0.365 -2.593 1.00 0.00 O ATOM 381 CB LYS A 28 -12.274 -0.831 -3.661 1.00 0.00 C ATOM 382 CG LYS A 28 -12.378 -2.250 -4.222 1.00 0.00 C ATOM 383 CD LYS A 28 -12.282 -2.204 -5.749 1.00 0.00 C ATOM 384 CE LYS A 28 -13.661 -2.466 -6.357 1.00 0.00 C ATOM 385 NZ LYS A 28 -13.935 -1.280 -7.214 1.00 0.00 N ATOM 0 H LYS A 28 -11.322 1.028 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.303 -1.695 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.240 -0.331 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.570 -0.245 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.581 -2.872 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.322 -2.704 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.910 -1.231 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.570 -2.950 -6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.666 -3.386 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.420 -2.577 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.865 -1.386 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.930 -0.420 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.201 -1.204 -7.947 1.00 0.00 H new ATOM 399 N ILE A 29 -9.916 -2.254 -1.552 1.00 0.00 N ATOM 400 CA ILE A 29 -8.461 -2.568 -1.448 1.00 0.00 C ATOM 401 C ILE A 29 -7.957 -3.174 -2.761 1.00 0.00 C ATOM 402 O ILE A 29 -8.692 -3.823 -3.478 1.00 0.00 O ATOM 403 CB ILE A 29 -8.359 -3.588 -0.314 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.892 -3.970 -0.103 1.00 0.00 C ATOM 405 CG2 ILE A 29 -9.164 -4.837 -0.680 1.00 0.00 C ATOM 406 CD1 ILE A 29 -6.573 -3.966 1.393 1.00 0.00 C ATOM 0 H ILE A 29 -10.541 -2.951 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.858 -1.681 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.757 -3.154 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.698 -4.956 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.243 -3.267 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.092 -5.566 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.209 -4.565 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.765 -5.271 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.528 -4.238 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.751 -2.971 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.212 -4.686 1.903 1.00 0.00 H new ATOM 418 N LEU A 30 -6.709 -2.968 -3.080 1.00 0.00 N ATOM 419 CA LEU A 30 -6.161 -3.534 -4.345 1.00 0.00 C ATOM 420 C LEU A 30 -5.160 -4.650 -4.034 1.00 0.00 C ATOM 421 O LEU A 30 -5.101 -5.653 -4.716 1.00 0.00 O ATOM 422 CB LEU A 30 -5.461 -2.361 -5.034 1.00 0.00 C ATOM 423 CG LEU A 30 -6.227 -1.977 -6.301 1.00 0.00 C ATOM 424 CD1 LEU A 30 -6.292 -3.180 -7.244 1.00 0.00 C ATOM 425 CD2 LEU A 30 -7.646 -1.543 -5.928 1.00 0.00 C ATOM 0 H LEU A 30 -6.045 -2.433 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.938 -3.970 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.407 -1.508 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.436 -2.633 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.715 -1.154 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.838 -2.906 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.281 -3.488 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.803 -4.005 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.192 -1.269 -6.831 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.159 -2.365 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.600 -0.685 -5.258 1.00 0.00 H new ATOM 437 N VAL A 31 -4.371 -4.481 -3.007 1.00 0.00 N ATOM 438 CA VAL A 31 -3.372 -5.534 -2.653 1.00 0.00 C ATOM 439 C VAL A 31 -3.911 -6.426 -1.529 1.00 0.00 C ATOM 440 O VAL A 31 -4.980 -6.196 -0.999 1.00 0.00 O ATOM 441 CB VAL A 31 -2.122 -4.773 -2.192 1.00 0.00 C ATOM 442 CG1 VAL A 31 -1.711 -3.765 -3.268 1.00 0.00 C ATOM 443 CG2 VAL A 31 -2.409 -4.030 -0.881 1.00 0.00 C ATOM 0 H VAL A 31 -4.374 -3.662 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.154 -6.189 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.314 -5.486 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.823 -3.225 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.493 -4.293 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.524 -3.059 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.515 -3.494 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.222 -3.321 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.694 -4.747 -0.111 1.00 0.00 H new ATOM 453 N LYS A 32 -3.177 -7.443 -1.164 1.00 0.00 N ATOM 454 CA LYS A 32 -3.645 -8.350 -0.075 1.00 0.00 C ATOM 455 C LYS A 32 -2.452 -8.849 0.746 1.00 0.00 C ATOM 456 O LYS A 32 -2.338 -10.021 1.045 1.00 0.00 O ATOM 457 CB LYS A 32 -4.323 -9.514 -0.795 1.00 0.00 C ATOM 458 CG LYS A 32 -5.730 -9.097 -1.228 1.00 0.00 C ATOM 459 CD LYS A 32 -6.706 -10.241 -0.955 1.00 0.00 C ATOM 460 CE LYS A 32 -8.073 -9.668 -0.578 1.00 0.00 C ATOM 461 NZ LYS A 32 -9.022 -10.806 -0.739 1.00 0.00 N ATOM 0 H LYS A 32 -2.274 -7.685 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.321 -7.849 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.736 -9.809 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.376 -10.381 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.039 -8.203 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.736 -8.845 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.796 -10.874 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.329 -10.870 -0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.076 -9.293 0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.344 -8.833 -1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.984 -10.493 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.002 -11.138 -1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.743 -11.583 -0.107 1.00 0.00 H new ATOM 475 N GLU A 33 -1.561 -7.964 1.113 1.00 0.00 N ATOM 476 CA GLU A 33 -0.368 -8.376 1.916 1.00 0.00 C ATOM 477 C GLU A 33 0.460 -9.411 1.148 1.00 0.00 C ATOM 478 O GLU A 33 -0.041 -10.112 0.293 1.00 0.00 O ATOM 479 CB GLU A 33 -0.929 -8.985 3.203 1.00 0.00 C ATOM 480 CG GLU A 33 0.124 -8.899 4.311 1.00 0.00 C ATOM 481 CD GLU A 33 0.095 -10.180 5.145 1.00 0.00 C ATOM 482 OE1 GLU A 33 -0.819 -10.327 5.940 1.00 0.00 O ATOM 483 OE2 GLU A 33 0.988 -10.994 4.976 1.00 0.00 O ATOM 0 H GLU A 33 -1.608 -6.970 0.891 1.00 0.00 H new ATOM 0 HA GLU A 33 0.291 -7.533 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.833 -8.456 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.210 -10.025 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.114 -8.758 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.071 -8.035 4.946 1.00 0.00 H new ATOM 490 N GLY A 34 1.727 -9.510 1.450 1.00 0.00 N ATOM 491 CA GLY A 34 2.588 -10.499 0.740 1.00 0.00 C ATOM 492 C GLY A 34 2.479 -10.285 -0.770 1.00 0.00 C ATOM 493 O GLY A 34 2.641 -11.202 -1.550 1.00 0.00 O ATOM 0 H GLY A 34 2.202 -8.949 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.624 -10.389 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.282 -11.513 0.997 1.00 0.00 H new ATOM 497 N ASP A 35 2.204 -9.080 -1.190 1.00 0.00 N ATOM 498 CA ASP A 35 2.082 -8.810 -2.651 1.00 0.00 C ATOM 499 C ASP A 35 3.086 -7.736 -3.078 1.00 0.00 C ATOM 500 O ASP A 35 3.113 -6.648 -2.537 1.00 0.00 O ATOM 501 CB ASP A 35 0.651 -8.310 -2.844 1.00 0.00 C ATOM 502 CG ASP A 35 -0.005 -9.069 -3.997 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.465 -10.176 -3.767 1.00 0.00 O ATOM 504 OD2 ASP A 35 -0.037 -8.531 -5.092 1.00 0.00 O ATOM 0 H ASP A 35 2.059 -8.272 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 35 2.290 -9.696 -3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.078 -8.454 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.654 -7.240 -3.054 1.00 0.00 H new ATOM 509 N THR A 36 3.909 -8.032 -4.045 1.00 0.00 N ATOM 510 CA THR A 36 4.906 -7.026 -4.508 1.00 0.00 C ATOM 511 C THR A 36 4.195 -5.879 -5.232 1.00 0.00 C ATOM 512 O THR A 36 3.157 -6.064 -5.836 1.00 0.00 O ATOM 513 CB THR A 36 5.820 -7.787 -5.471 1.00 0.00 C ATOM 514 OG1 THR A 36 6.285 -8.972 -4.839 1.00 0.00 O ATOM 515 CG2 THR A 36 7.011 -6.907 -5.850 1.00 0.00 C ATOM 0 H THR A 36 3.935 -8.926 -4.535 1.00 0.00 H new ATOM 0 HA THR A 36 5.465 -6.585 -3.683 1.00 0.00 H new ATOM 0 HB THR A 36 5.265 -8.048 -6.372 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.869 -9.463 -5.454 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.661 -7.450 -6.536 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.653 -5.998 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.570 -6.644 -4.952 1.00 0.00 H new ATOM 523 N VAL A 37 4.743 -4.696 -5.174 1.00 0.00 N ATOM 524 CA VAL A 37 4.091 -3.541 -5.857 1.00 0.00 C ATOM 525 C VAL A 37 5.137 -2.698 -6.591 1.00 0.00 C ATOM 526 O VAL A 37 6.318 -2.777 -6.317 1.00 0.00 O ATOM 527 CB VAL A 37 3.444 -2.733 -4.734 1.00 0.00 C ATOM 528 CG1 VAL A 37 4.514 -2.317 -3.722 1.00 0.00 C ATOM 529 CG2 VAL A 37 2.784 -1.483 -5.320 1.00 0.00 C ATOM 0 H VAL A 37 5.611 -4.479 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 37 3.363 -3.860 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 37 2.690 -3.343 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.052 -1.740 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.985 -3.207 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.268 -1.707 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.322 -0.906 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.538 -0.873 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.021 -1.778 -6.041 1.00 0.00 H new ATOM 539 N LYS A 38 4.709 -1.889 -7.522 1.00 0.00 N ATOM 540 CA LYS A 38 5.675 -1.037 -8.273 1.00 0.00 C ATOM 541 C LYS A 38 5.405 0.442 -7.983 1.00 0.00 C ATOM 542 O LYS A 38 4.309 0.823 -7.628 1.00 0.00 O ATOM 543 CB LYS A 38 5.419 -1.354 -9.747 1.00 0.00 C ATOM 544 CG LYS A 38 6.666 -1.018 -10.566 1.00 0.00 C ATOM 545 CD LYS A 38 6.529 -1.609 -11.971 1.00 0.00 C ATOM 546 CE LYS A 38 7.359 -2.891 -12.070 1.00 0.00 C ATOM 547 NZ LYS A 38 8.430 -2.581 -13.058 1.00 0.00 N ATOM 0 H LYS A 38 3.732 -1.781 -7.795 1.00 0.00 H new ATOM 0 HA LYS A 38 6.709 -1.232 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.167 -2.408 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.567 -0.780 -10.111 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.795 0.063 -10.626 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.554 -1.418 -10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.482 -1.824 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.866 -0.887 -12.715 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.781 -3.164 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.749 -3.732 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.041 -3.413 -13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.999 -2.332 -13.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.999 -1.781 -12.714 1.00 0.00 H new ATOM 561 N ALA A 39 6.396 1.276 -8.130 1.00 0.00 N ATOM 562 CA ALA A 39 6.193 2.729 -7.860 1.00 0.00 C ATOM 563 C ALA A 39 5.110 3.292 -8.783 1.00 0.00 C ATOM 564 O ALA A 39 5.305 3.426 -9.975 1.00 0.00 O ATOM 565 CB ALA A 39 7.543 3.381 -8.157 1.00 0.00 C ATOM 0 H ALA A 39 7.337 1.016 -8.425 1.00 0.00 H new ATOM 0 HA ALA A 39 5.867 2.917 -6.837 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.475 4.455 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.305 2.954 -7.505 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.813 3.200 -9.197 1.00 0.00 H new ATOM 571 N GLY A 40 3.969 3.627 -8.242 1.00 0.00 N ATOM 572 CA GLY A 40 2.877 4.183 -9.091 1.00 0.00 C ATOM 573 C GLY A 40 1.751 3.155 -9.219 1.00 0.00 C ATOM 574 O GLY A 40 1.036 3.122 -10.201 1.00 0.00 O ATOM 0 H GLY A 40 3.747 3.540 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.494 5.104 -8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.264 4.438 -10.078 1.00 0.00 H new ATOM 578 N GLN A 41 1.584 2.315 -8.234 1.00 0.00 N ATOM 579 CA GLN A 41 0.503 1.291 -8.302 1.00 0.00 C ATOM 580 C GLN A 41 -0.499 1.502 -7.162 1.00 0.00 C ATOM 581 O GLN A 41 -0.170 1.365 -6.000 1.00 0.00 O ATOM 582 CB GLN A 41 1.219 -0.051 -8.147 1.00 0.00 C ATOM 583 CG GLN A 41 0.264 -1.188 -8.518 1.00 0.00 C ATOM 584 CD GLN A 41 0.931 -2.532 -8.221 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.952 -2.857 -8.792 1.00 0.00 O ATOM 586 NE2 GLN A 41 0.390 -3.333 -7.344 1.00 0.00 N ATOM 0 H GLN A 41 2.149 2.294 -7.385 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.061 1.346 -9.233 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.101 -0.080 -8.787 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.565 -0.174 -7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.663 -1.097 -7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.001 -1.126 -9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.468 -3.060 -6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.825 -4.232 -7.138 1.00 0.00 H new ATOM 595 N THR A 42 -1.719 1.834 -7.486 1.00 0.00 N ATOM 596 CA THR A 42 -2.742 2.055 -6.422 1.00 0.00 C ATOM 597 C THR A 42 -2.827 0.829 -5.509 1.00 0.00 C ATOM 598 O THR A 42 -3.534 -0.119 -5.789 1.00 0.00 O ATOM 599 CB THR A 42 -4.058 2.259 -7.174 1.00 0.00 C ATOM 600 OG1 THR A 42 -3.927 3.360 -8.063 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.181 2.540 -6.173 1.00 0.00 C ATOM 0 H THR A 42 -2.053 1.962 -8.441 1.00 0.00 H new ATOM 0 HA THR A 42 -2.501 2.907 -5.786 1.00 0.00 H new ATOM 0 HB THR A 42 -4.297 1.359 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.127 3.876 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.119 2.685 -6.709 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.280 1.696 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.945 3.440 -5.605 1.00 0.00 H new ATOM 609 N VAL A 43 -2.116 0.844 -4.415 1.00 0.00 N ATOM 610 CA VAL A 43 -2.159 -0.317 -3.483 1.00 0.00 C ATOM 611 C VAL A 43 -3.533 -0.394 -2.810 1.00 0.00 C ATOM 612 O VAL A 43 -3.949 -1.436 -2.345 1.00 0.00 O ATOM 613 CB VAL A 43 -1.062 -0.045 -2.450 1.00 0.00 C ATOM 614 CG1 VAL A 43 0.276 0.142 -3.169 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.397 1.223 -1.661 1.00 0.00 C ATOM 0 H VAL A 43 -1.507 1.610 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.000 -1.267 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.995 -0.889 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.059 0.336 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.518 -0.762 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.205 0.985 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.614 1.413 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.466 2.069 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.350 1.092 -1.149 1.00 0.00 H new ATOM 625 N LEU A 44 -4.241 0.702 -2.755 1.00 0.00 N ATOM 626 CA LEU A 44 -5.586 0.682 -2.110 1.00 0.00 C ATOM 627 C LEU A 44 -6.412 1.894 -2.554 1.00 0.00 C ATOM 628 O LEU A 44 -5.919 2.785 -3.217 1.00 0.00 O ATOM 629 CB LEU A 44 -5.305 0.746 -0.610 1.00 0.00 C ATOM 630 CG LEU A 44 -5.514 -0.639 0.008 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.249 -1.055 0.761 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.697 -0.599 0.978 1.00 0.00 C ATOM 0 H LEU A 44 -3.949 1.606 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.159 -0.205 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.284 1.084 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.966 1.471 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.722 -1.360 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.396 -2.041 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.408 -1.089 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.041 -0.332 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.842 -1.587 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.494 0.122 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.598 -0.304 0.441 1.00 0.00 H new ATOM 644 N VAL A 45 -7.665 1.931 -2.193 1.00 0.00 N ATOM 645 CA VAL A 45 -8.526 3.082 -2.590 1.00 0.00 C ATOM 646 C VAL A 45 -9.055 3.796 -1.343 1.00 0.00 C ATOM 647 O VAL A 45 -9.572 3.176 -0.435 1.00 0.00 O ATOM 648 CB VAL A 45 -9.676 2.461 -3.386 1.00 0.00 C ATOM 649 CG1 VAL A 45 -10.681 3.551 -3.766 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.124 1.811 -4.657 1.00 0.00 C ATOM 0 H VAL A 45 -8.131 1.213 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.984 3.825 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.172 1.705 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.500 3.109 -4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.074 4.014 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.185 4.307 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.943 1.368 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.627 2.566 -5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.408 1.034 -4.387 1.00 0.00 H new ATOM 660 N LEU A 46 -8.926 5.093 -1.292 1.00 0.00 N ATOM 661 CA LEU A 46 -9.419 5.844 -0.101 1.00 0.00 C ATOM 662 C LEU A 46 -10.679 6.638 -0.455 1.00 0.00 C ATOM 663 O LEU A 46 -11.172 6.578 -1.564 1.00 0.00 O ATOM 664 CB LEU A 46 -8.276 6.791 0.269 1.00 0.00 C ATOM 665 CG LEU A 46 -8.153 6.876 1.791 1.00 0.00 C ATOM 666 CD1 LEU A 46 -7.190 5.794 2.288 1.00 0.00 C ATOM 667 CD2 LEU A 46 -7.615 8.254 2.182 1.00 0.00 C ATOM 0 H LEU A 46 -8.501 5.665 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.685 5.181 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.341 6.434 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.462 7.781 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.133 6.725 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.103 5.855 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.571 4.812 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.210 5.944 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.527 8.316 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.635 8.404 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.299 9.025 1.829 1.00 0.00 H new ATOM 679 N GLU A 47 -11.202 7.383 0.481 1.00 0.00 N ATOM 680 CA GLU A 47 -12.429 8.183 0.200 1.00 0.00 C ATOM 681 C GLU A 47 -13.529 7.287 -0.377 1.00 0.00 C ATOM 682 O GLU A 47 -13.369 6.089 -0.493 1.00 0.00 O ATOM 683 CB GLU A 47 -11.994 9.227 -0.829 1.00 0.00 C ATOM 684 CG GLU A 47 -12.515 10.603 -0.410 1.00 0.00 C ATOM 685 CD GLU A 47 -11.561 11.223 0.613 1.00 0.00 C ATOM 686 OE1 GLU A 47 -10.364 11.045 0.461 1.00 0.00 O ATOM 687 OE2 GLU A 47 -12.044 11.866 1.530 1.00 0.00 O ATOM 0 H GLU A 47 -10.833 7.472 1.428 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.836 8.642 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.907 9.246 -0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.379 8.965 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.601 11.251 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.513 10.510 0.018 1.00 0.00 H new ATOM 775 N THR A 53 -10.227 7.975 -4.275 1.00 0.00 N ATOM 776 CA THR A 53 -8.760 8.238 -4.263 1.00 0.00 C ATOM 777 C THR A 53 -7.982 6.942 -4.501 1.00 0.00 C ATOM 778 O THR A 53 -8.271 5.916 -3.919 1.00 0.00 O ATOM 779 CB THR A 53 -8.469 8.786 -2.865 1.00 0.00 C ATOM 780 OG1 THR A 53 -9.356 9.860 -2.586 1.00 0.00 O ATOM 781 CG2 THR A 53 -7.024 9.284 -2.800 1.00 0.00 C ATOM 0 HA THR A 53 -8.461 8.933 -5.048 1.00 0.00 H new ATOM 0 HB THR A 53 -8.611 7.996 -2.128 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.242 9.657 -2.953 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.818 9.674 -1.803 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.345 8.459 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.878 10.074 -3.536 1.00 0.00 H new ATOM 789 N GLU A 54 -6.991 6.983 -5.351 1.00 0.00 N ATOM 790 CA GLU A 54 -6.189 5.756 -5.624 1.00 0.00 C ATOM 791 C GLU A 54 -4.872 5.810 -4.843 1.00 0.00 C ATOM 792 O GLU A 54 -3.951 6.514 -5.208 1.00 0.00 O ATOM 793 CB GLU A 54 -5.926 5.781 -7.130 1.00 0.00 C ATOM 794 CG GLU A 54 -7.156 5.254 -7.871 1.00 0.00 C ATOM 795 CD GLU A 54 -6.853 5.164 -9.367 1.00 0.00 C ATOM 796 OE1 GLU A 54 -6.302 6.114 -9.899 1.00 0.00 O ATOM 797 OE2 GLU A 54 -7.174 4.146 -9.957 1.00 0.00 O ATOM 0 H GLU A 54 -6.702 7.814 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.704 4.845 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.701 6.797 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.055 5.170 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.432 4.273 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.006 5.914 -7.701 1.00 0.00 H new ATOM 804 N ILE A 55 -4.780 5.075 -3.769 1.00 0.00 N ATOM 805 CA ILE A 55 -3.527 5.087 -2.959 1.00 0.00 C ATOM 806 C ILE A 55 -2.384 4.422 -3.728 1.00 0.00 C ATOM 807 O ILE A 55 -2.181 3.228 -3.644 1.00 0.00 O ATOM 808 CB ILE A 55 -3.866 4.291 -1.698 1.00 0.00 C ATOM 809 CG1 ILE A 55 -4.992 4.998 -0.933 1.00 0.00 C ATOM 810 CG2 ILE A 55 -2.624 4.185 -0.808 1.00 0.00 C ATOM 811 CD1 ILE A 55 -4.507 6.363 -0.434 1.00 0.00 C ATOM 0 H ILE A 55 -5.518 4.466 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.197 6.099 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.194 3.290 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.859 5.125 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.311 4.385 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.867 3.617 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.828 3.678 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.292 5.184 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.312 6.859 0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.653 6.225 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.210 6.977 -1.284 1.00 0.00 H new ATOM 823 N ASN A 56 -1.633 5.190 -4.471 1.00 0.00 N ATOM 824 CA ASN A 56 -0.495 4.612 -5.245 1.00 0.00 C ATOM 825 C ASN A 56 0.691 4.339 -4.318 1.00 0.00 C ATOM 826 O ASN A 56 1.091 5.182 -3.539 1.00 0.00 O ATOM 827 CB ASN A 56 -0.133 5.681 -6.274 1.00 0.00 C ATOM 828 CG ASN A 56 -1.352 5.982 -7.146 1.00 0.00 C ATOM 829 OD1 ASN A 56 -1.809 5.133 -7.886 1.00 0.00 O ATOM 830 ND2 ASN A 56 -1.901 7.164 -7.092 1.00 0.00 N ATOM 0 H ASN A 56 -1.759 6.197 -4.576 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.756 3.664 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.200 6.588 -5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.695 5.339 -6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.714 7.376 -7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.518 7.877 -6.471 1.00 0.00 H new ATOM 837 N ALA A 57 1.257 3.166 -4.397 1.00 0.00 N ATOM 838 CA ALA A 57 2.420 2.835 -3.522 1.00 0.00 C ATOM 839 C ALA A 57 3.483 3.940 -3.602 1.00 0.00 C ATOM 840 O ALA A 57 3.541 4.670 -4.571 1.00 0.00 O ATOM 841 CB ALA A 57 2.973 1.522 -4.077 1.00 0.00 C ATOM 0 H ALA A 57 0.965 2.421 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 57 2.132 2.748 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.834 1.211 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.202 0.753 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.278 1.665 -5.114 1.00 0.00 H new ATOM 847 N PRO A 58 4.292 4.030 -2.574 1.00 0.00 N ATOM 848 CA PRO A 58 5.356 5.062 -2.538 1.00 0.00 C ATOM 849 C PRO A 58 6.503 4.686 -3.480 1.00 0.00 C ATOM 850 O PRO A 58 7.087 5.529 -4.130 1.00 0.00 O ATOM 851 CB PRO A 58 5.824 5.045 -1.086 1.00 0.00 C ATOM 852 CG PRO A 58 5.486 3.677 -0.581 1.00 0.00 C ATOM 853 CD PRO A 58 4.294 3.193 -1.365 1.00 0.00 C ATOM 0 HA PRO A 58 5.008 6.043 -2.860 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.894 5.238 -1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.322 5.816 -0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.331 3.000 -0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.259 3.706 0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.384 2.135 -1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.370 3.310 -0.798 1.00 0.00 H new ATOM 861 N THR A 59 6.833 3.425 -3.556 1.00 0.00 N ATOM 862 CA THR A 59 7.944 3.000 -4.454 1.00 0.00 C ATOM 863 C THR A 59 7.816 1.511 -4.787 1.00 0.00 C ATOM 864 O THR A 59 6.923 0.835 -4.318 1.00 0.00 O ATOM 865 CB THR A 59 9.220 3.261 -3.651 1.00 0.00 C ATOM 866 OG1 THR A 59 10.345 2.801 -4.388 1.00 0.00 O ATOM 867 CG2 THR A 59 9.145 2.522 -2.314 1.00 0.00 C ATOM 0 H THR A 59 6.382 2.672 -3.036 1.00 0.00 H new ATOM 0 HA THR A 59 7.939 3.538 -5.402 1.00 0.00 H new ATOM 0 HB THR A 59 9.320 4.330 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.163 2.969 -3.875 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.055 2.709 -1.743 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.283 2.878 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.044 1.452 -2.495 1.00 0.00 H new ATOM 875 N ASP A 60 8.701 0.997 -5.595 1.00 0.00 N ATOM 876 CA ASP A 60 8.629 -0.447 -5.957 1.00 0.00 C ATOM 877 C ASP A 60 9.161 -1.309 -4.808 1.00 0.00 C ATOM 878 O ASP A 60 10.214 -1.050 -4.261 1.00 0.00 O ATOM 879 CB ASP A 60 9.517 -0.591 -7.192 1.00 0.00 C ATOM 880 CG ASP A 60 10.957 -0.215 -6.835 1.00 0.00 C ATOM 881 OD1 ASP A 60 11.650 -1.058 -6.290 1.00 0.00 O ATOM 882 OD2 ASP A 60 11.341 0.909 -7.112 1.00 0.00 O ATOM 0 H ASP A 60 9.471 1.514 -6.020 1.00 0.00 H new ATOM 0 HA ASP A 60 7.607 -0.773 -6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.479 -1.615 -7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.151 0.051 -7.993 1.00 0.00 H new ATOM 887 N GLY A 61 8.440 -2.332 -4.440 1.00 0.00 N ATOM 888 CA GLY A 61 8.905 -3.208 -3.328 1.00 0.00 C ATOM 889 C GLY A 61 7.828 -4.246 -3.012 1.00 0.00 C ATOM 890 O GLY A 61 7.252 -4.847 -3.897 1.00 0.00 O ATOM 0 H GLY A 61 7.550 -2.599 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.834 -3.706 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.118 -2.608 -2.443 1.00 0.00 H new ATOM 894 N LYS A 62 7.550 -4.463 -1.755 1.00 0.00 N ATOM 895 CA LYS A 62 6.509 -5.463 -1.384 1.00 0.00 C ATOM 896 C LYS A 62 5.909 -5.122 -0.017 1.00 0.00 C ATOM 897 O LYS A 62 6.563 -4.551 0.833 1.00 0.00 O ATOM 898 CB LYS A 62 7.249 -6.799 -1.327 1.00 0.00 C ATOM 899 CG LYS A 62 6.236 -7.943 -1.261 1.00 0.00 C ATOM 900 CD LYS A 62 6.967 -9.281 -1.393 1.00 0.00 C ATOM 901 CE LYS A 62 7.691 -9.597 -0.083 1.00 0.00 C ATOM 902 NZ LYS A 62 7.915 -11.068 -0.113 1.00 0.00 N ATOM 0 H LYS A 62 7.999 -3.991 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 62 5.683 -5.483 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.884 -6.912 -2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.903 -6.828 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.691 -7.906 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.501 -7.838 -2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.257 -10.074 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.682 -9.238 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.634 -9.055 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.091 -9.306 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.408 -11.362 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.999 -11.557 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.494 -11.314 -0.941 1.00 0.00 H new ATOM 916 N VAL A 63 4.668 -5.465 0.200 1.00 0.00 N ATOM 917 CA VAL A 63 4.030 -5.158 1.511 1.00 0.00 C ATOM 918 C VAL A 63 4.734 -5.931 2.632 1.00 0.00 C ATOM 919 O VAL A 63 5.124 -7.070 2.470 1.00 0.00 O ATOM 920 CB VAL A 63 2.565 -5.603 1.354 1.00 0.00 C ATOM 921 CG1 VAL A 63 1.907 -5.817 2.724 1.00 0.00 C ATOM 922 CG2 VAL A 63 1.795 -4.516 0.607 1.00 0.00 C ATOM 0 H VAL A 63 4.070 -5.944 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 63 4.098 -4.103 1.776 1.00 0.00 H new ATOM 0 HB VAL A 63 2.544 -6.543 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.872 -6.131 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.450 -6.587 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.931 -4.885 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.755 -4.822 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.838 -3.585 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.241 -4.364 -0.376 1.00 0.00 H new ATOM 932 N GLU A 64 4.885 -5.314 3.770 1.00 0.00 N ATOM 933 CA GLU A 64 5.548 -6.002 4.910 1.00 0.00 C ATOM 934 C GLU A 64 4.550 -6.186 6.058 1.00 0.00 C ATOM 935 O GLU A 64 4.748 -6.997 6.942 1.00 0.00 O ATOM 936 CB GLU A 64 6.685 -5.070 5.328 1.00 0.00 C ATOM 937 CG GLU A 64 7.920 -5.356 4.471 1.00 0.00 C ATOM 938 CD GLU A 64 8.478 -6.737 4.822 1.00 0.00 C ATOM 939 OE1 GLU A 64 8.758 -6.963 5.988 1.00 0.00 O ATOM 940 OE2 GLU A 64 8.616 -7.545 3.919 1.00 0.00 O ATOM 0 H GLU A 64 4.577 -4.360 3.959 1.00 0.00 H new ATOM 0 HA GLU A 64 5.916 -6.993 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.380 -4.030 5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.919 -5.215 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.659 -5.316 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.678 -4.592 4.641 1.00 0.00 H new ATOM 947 N LYS A 65 3.472 -5.440 6.051 1.00 0.00 N ATOM 948 CA LYS A 65 2.456 -5.575 7.142 1.00 0.00 C ATOM 949 C LYS A 65 1.308 -4.588 6.918 1.00 0.00 C ATOM 950 O LYS A 65 1.335 -3.471 7.397 1.00 0.00 O ATOM 951 CB LYS A 65 3.197 -5.235 8.441 1.00 0.00 C ATOM 952 CG LYS A 65 2.879 -6.293 9.500 1.00 0.00 C ATOM 953 CD LYS A 65 1.459 -6.078 10.027 1.00 0.00 C ATOM 954 CE LYS A 65 1.034 -7.288 10.862 1.00 0.00 C ATOM 955 NZ LYS A 65 0.446 -8.244 9.884 1.00 0.00 N ATOM 0 H LYS A 65 3.252 -4.744 5.338 1.00 0.00 H new ATOM 0 HA LYS A 65 2.025 -6.576 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.271 -5.197 8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.898 -4.249 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.972 -7.291 9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.596 -6.230 10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.418 -5.173 10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.769 -5.937 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.886 -7.728 11.381 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.307 -7.006 11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.131 -9.101 10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.367 -7.800 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.162 -8.500 9.175 1.00 0.00 H new ATOM 969 N VAL A 66 0.298 -4.988 6.195 1.00 0.00 N ATOM 970 CA VAL A 66 -0.849 -4.066 5.946 1.00 0.00 C ATOM 971 C VAL A 66 -1.783 -4.043 7.161 1.00 0.00 C ATOM 972 O VAL A 66 -2.366 -5.044 7.529 1.00 0.00 O ATOM 973 CB VAL A 66 -1.563 -4.635 4.717 1.00 0.00 C ATOM 974 CG1 VAL A 66 -2.168 -6.003 5.048 1.00 0.00 C ATOM 975 CG2 VAL A 66 -2.676 -3.676 4.287 1.00 0.00 C ATOM 0 H VAL A 66 0.216 -5.910 5.767 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.525 -3.038 5.781 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.843 -4.750 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.674 -6.400 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.376 -6.688 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.886 -5.896 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.186 -4.079 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.391 -3.559 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.245 -2.706 4.041 1.00 0.00 H new ATOM 985 N LEU A 67 -1.927 -2.909 7.790 1.00 0.00 N ATOM 986 CA LEU A 67 -2.820 -2.825 8.983 1.00 0.00 C ATOM 987 C LEU A 67 -4.201 -2.297 8.580 1.00 0.00 C ATOM 988 O LEU A 67 -5.192 -2.566 9.231 1.00 0.00 O ATOM 989 CB LEU A 67 -2.121 -1.850 9.936 1.00 0.00 C ATOM 990 CG LEU A 67 -2.083 -0.449 9.317 1.00 0.00 C ATOM 991 CD1 LEU A 67 -3.205 0.402 9.914 1.00 0.00 C ATOM 992 CD2 LEU A 67 -0.733 0.204 9.616 1.00 0.00 C ATOM 0 H LEU A 67 -1.466 -2.037 7.531 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.981 -3.798 9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.647 -1.821 10.890 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.107 -2.193 10.142 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.219 -0.524 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.179 1.399 9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.167 -0.063 9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.070 0.478 10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.706 1.201 9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.596 0.280 10.695 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.067 -0.403 9.191 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.276 -1.548 7.514 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.594 -1.003 7.077 1.00 0.00 C ATOM 1006 C VAL A 68 -6.486 -2.130 6.549 1.00 0.00 C ATOM 1007 O VAL A 68 -6.011 -3.139 6.065 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.263 -0.009 5.962 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -4.626 -0.750 4.782 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -6.546 0.681 5.497 1.00 0.00 C ATOM 0 H VAL A 68 -3.483 -1.290 6.927 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.136 -0.529 7.895 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.564 0.737 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.392 -0.039 3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.710 -1.241 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.322 -1.498 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.311 1.389 4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.245 -0.066 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.998 1.212 6.335 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.779 -1.967 6.639 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.703 -3.027 6.143 1.00 0.00 C ATOM 1022 C LYS A 69 -9.796 -2.408 5.269 1.00 0.00 C ATOM 1023 O LYS A 69 -10.059 -1.224 5.333 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.309 -3.644 7.403 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.324 -4.645 8.007 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.064 -5.569 8.975 1.00 0.00 C ATOM 1027 CE LYS A 69 -8.058 -6.228 9.922 1.00 0.00 C ATOM 1028 NZ LYS A 69 -7.327 -7.214 9.080 1.00 0.00 N ATOM 0 H LYS A 69 -8.235 -1.145 7.035 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.190 -3.770 5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.540 -2.863 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.248 -4.143 7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.854 -5.230 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.527 -4.117 8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.799 -5.002 9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.611 -6.332 8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.377 -5.492 10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.562 -6.717 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.245 -8.115 9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.848 -7.367 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.377 -6.850 8.865 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.434 -3.200 4.450 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.510 -2.655 3.573 1.00 0.00 C ATOM 1044 C GLU A 70 -12.707 -2.210 4.418 1.00 0.00 C ATOM 1045 O GLU A 70 -12.937 -2.713 5.500 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.901 -3.817 2.658 1.00 0.00 C ATOM 1047 CG GLU A 70 -12.184 -3.287 1.251 1.00 0.00 C ATOM 1048 CD GLU A 70 -12.918 -4.356 0.441 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -12.264 -5.281 -0.014 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -14.123 -4.234 0.289 1.00 0.00 O ATOM 0 H GLU A 70 -10.257 -4.200 4.350 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.180 -1.784 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.099 -4.554 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.783 -4.323 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.787 -2.380 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.250 -3.019 0.757 1.00 0.00 H new ATOM 1057 N ARG A 71 -13.473 -1.270 3.931 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.656 -0.793 4.705 1.00 0.00 C ATOM 1059 C ARG A 71 -14.228 -0.337 6.103 1.00 0.00 C ATOM 1060 O ARG A 71 -15.026 -0.279 7.018 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.587 -2.003 4.797 1.00 0.00 C ATOM 1062 CG ARG A 71 -17.003 -1.533 5.137 1.00 0.00 C ATOM 1063 CD ARG A 71 -17.758 -2.659 5.847 1.00 0.00 C ATOM 1064 NE ARG A 71 -19.166 -2.184 5.931 1.00 0.00 N ATOM 1065 CZ ARG A 71 -20.073 -2.689 5.141 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -20.085 -3.972 4.897 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -20.969 -1.912 4.595 1.00 0.00 N ATOM 0 H ARG A 71 -13.331 -0.812 3.031 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.142 0.059 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.590 -2.546 3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.229 -2.694 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.961 -0.650 5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.530 -1.244 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.689 -3.593 5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.345 -2.848 6.838 1.00 0.00 H new ATOM 0 HE ARG A 71 -19.422 -1.464 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.385 -4.579 5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.794 -4.367 4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.960 -0.910 4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.678 -2.307 3.977 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.977 -0.010 6.276 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.503 0.443 7.615 1.00 0.00 C ATOM 1083 C ASP A 72 -12.239 1.952 7.599 1.00 0.00 C ATOM 1084 O ASP A 72 -11.137 2.397 7.348 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.205 -0.326 7.859 1.00 0.00 C ATOM 1086 CG ASP A 72 -10.782 -0.164 9.321 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -10.263 0.889 9.653 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -10.987 -1.095 10.083 1.00 0.00 O ATOM 0 H ASP A 72 -12.262 -0.037 5.549 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.238 0.257 8.398 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.346 -1.381 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.421 0.045 7.199 1.00 0.00 H new ATOM 1093 N ALA A 73 -13.244 2.742 7.862 1.00 0.00 N ATOM 1094 CA ALA A 73 -13.053 4.221 7.860 1.00 0.00 C ATOM 1095 C ALA A 73 -11.922 4.613 8.814 1.00 0.00 C ATOM 1096 O ALA A 73 -11.686 3.964 9.814 1.00 0.00 O ATOM 1097 CB ALA A 73 -14.386 4.792 8.345 1.00 0.00 C ATOM 0 H ALA A 73 -14.190 2.427 8.078 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.780 4.600 6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.327 5.880 8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.181 4.488 7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.601 4.415 9.345 1.00 0.00 H new ATOM 1103 N VAL A 74 -11.221 5.673 8.514 1.00 0.00 N ATOM 1104 CA VAL A 74 -10.106 6.109 9.402 1.00 0.00 C ATOM 1105 C VAL A 74 -9.889 7.620 9.272 1.00 0.00 C ATOM 1106 O VAL A 74 -10.359 8.245 8.342 1.00 0.00 O ATOM 1107 CB VAL A 74 -8.879 5.342 8.906 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -8.566 5.751 7.465 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -7.680 5.666 9.800 1.00 0.00 C ATOM 0 H VAL A 74 -11.373 6.256 7.691 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.311 5.908 10.453 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.082 4.272 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.692 5.204 7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.419 5.520 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.364 6.821 7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.805 5.120 9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.478 6.737 9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.901 5.373 10.826 1.00 0.00 H new ATOM 1119 N GLN A 75 -9.181 8.211 10.196 1.00 0.00 N ATOM 1120 CA GLN A 75 -8.939 9.680 10.119 1.00 0.00 C ATOM 1121 C GLN A 75 -7.493 9.958 9.696 1.00 0.00 C ATOM 1122 O GLN A 75 -6.721 9.050 9.459 1.00 0.00 O ATOM 1123 CB GLN A 75 -9.192 10.199 11.536 1.00 0.00 C ATOM 1124 CG GLN A 75 -10.640 10.679 11.654 1.00 0.00 C ATOM 1125 CD GLN A 75 -11.314 9.985 12.839 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -10.674 9.681 13.825 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -12.591 9.719 12.783 1.00 0.00 N ATOM 0 H GLN A 75 -8.761 7.742 10.998 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.583 10.166 9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.999 9.410 12.263 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.507 11.016 11.763 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.666 11.760 11.790 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.183 10.460 10.734 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.129 9.974 11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.050 9.256 13.567 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.122 11.205 9.599 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.729 11.539 9.191 1.00 0.00 C ATOM 1138 C GLY A 76 -4.779 11.288 10.363 1.00 0.00 C ATOM 1139 O GLY A 76 -5.005 11.744 11.467 1.00 0.00 O ATOM 0 H GLY A 76 -7.724 12.007 9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.435 10.933 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.670 12.582 8.879 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.716 10.568 10.133 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.752 10.289 11.234 1.00 0.00 C ATOM 1145 C GLY A 77 -2.838 8.813 11.627 1.00 0.00 C ATOM 1146 O GLY A 77 -2.701 8.459 12.782 1.00 0.00 O ATOM 0 H GLY A 77 -3.473 10.161 9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.739 10.533 10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.975 10.919 12.095 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.065 7.948 10.676 1.00 0.00 N ATOM 1151 CA GLN A 78 -3.159 6.495 10.997 1.00 0.00 C ATOM 1152 C GLN A 78 -2.383 5.675 9.962 1.00 0.00 C ATOM 1153 O GLN A 78 -2.598 5.796 8.772 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.651 6.171 10.929 1.00 0.00 C ATOM 1155 CG GLN A 78 -5.058 5.379 12.172 1.00 0.00 C ATOM 1156 CD GLN A 78 -5.367 6.348 13.316 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -4.767 6.273 14.369 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -6.285 7.260 13.150 1.00 0.00 N ATOM 0 H GLN A 78 -3.189 8.184 9.692 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.735 6.258 11.973 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.231 7.091 10.865 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.868 5.594 10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.932 4.765 11.955 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.256 4.700 12.463 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.788 7.322 12.265 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.499 7.911 13.905 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.482 4.841 10.408 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.686 4.011 9.456 1.00 0.00 C ATOM 1169 C GLY A 79 -1.620 3.311 8.465 1.00 0.00 C ATOM 1170 O GLY A 79 -2.759 3.019 8.770 1.00 0.00 O ATOM 0 H GLY A 79 -1.262 4.698 11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.024 4.640 8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.104 3.271 10.005 1.00 0.00 H new ATOM 1174 N LEU A 80 -1.145 3.041 7.280 1.00 0.00 N ATOM 1175 CA LEU A 80 -2.003 2.360 6.269 1.00 0.00 C ATOM 1176 C LEU A 80 -1.389 1.014 5.875 1.00 0.00 C ATOM 1177 O LEU A 80 -1.957 -0.032 6.118 1.00 0.00 O ATOM 1178 CB LEU A 80 -2.028 3.310 5.069 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.884 4.532 5.403 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -2.640 5.626 4.362 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.362 4.138 5.391 1.00 0.00 C ATOM 0 H LEU A 80 -0.200 3.263 6.968 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.004 2.153 6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.014 3.621 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.431 2.798 4.195 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.615 4.904 6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.250 6.497 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.587 5.907 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.909 5.254 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.973 5.009 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.631 3.765 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.537 3.359 6.133 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.233 1.033 5.271 1.00 0.00 N ATOM 1194 CA ILE A 81 0.419 -0.245 4.863 1.00 0.00 C ATOM 1195 C ILE A 81 1.906 -0.220 5.228 1.00 0.00 C ATOM 1196 O ILE A 81 2.599 0.748 4.982 1.00 0.00 O ATOM 1197 CB ILE A 81 0.237 -0.314 3.346 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.956 0.868 2.692 1.00 0.00 C ATOM 1199 CG2 ILE A 81 -1.253 -0.255 3.006 1.00 0.00 C ATOM 1200 CD1 ILE A 81 2.217 0.369 1.982 1.00 0.00 C ATOM 0 H ILE A 81 0.289 1.879 5.042 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.015 -1.110 5.365 1.00 0.00 H new ATOM 0 HB ILE A 81 0.657 -1.248 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.295 1.360 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.220 1.609 3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.382 -0.304 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.766 -1.097 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.675 0.678 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.729 1.211 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.880 -0.103 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.941 -0.356 1.217 1.00 0.00 H new ATOM 1212 N LYS A 82 2.401 -1.274 5.818 1.00 0.00 N ATOM 1213 CA LYS A 82 3.843 -1.306 6.200 1.00 0.00 C ATOM 1214 C LYS A 82 4.705 -1.702 4.998 1.00 0.00 C ATOM 1215 O LYS A 82 4.318 -2.520 4.187 1.00 0.00 O ATOM 1216 CB LYS A 82 3.938 -2.366 7.299 1.00 0.00 C ATOM 1217 CG LYS A 82 5.384 -2.462 7.791 1.00 0.00 C ATOM 1218 CD LYS A 82 5.562 -1.574 9.024 1.00 0.00 C ATOM 1219 CE LYS A 82 4.714 -2.121 10.174 1.00 0.00 C ATOM 1220 NZ LYS A 82 5.690 -2.437 11.253 1.00 0.00 N ATOM 0 H LYS A 82 1.871 -2.113 6.052 1.00 0.00 H new ATOM 0 HA LYS A 82 4.200 -0.333 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.277 -2.108 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.608 -3.332 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.629 -3.496 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.069 -2.150 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.612 -1.544 9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.265 -0.551 8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.980 -1.387 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.161 -3.009 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.184 -2.818 12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.372 -3.143 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.197 -1.571 11.527 1.00 0.00 H new ATOM 1234 N ILE A 83 5.871 -1.128 4.879 1.00 0.00 N ATOM 1235 CA ILE A 83 6.758 -1.472 3.731 1.00 0.00 C ATOM 1236 C ILE A 83 8.184 -0.980 3.998 1.00 0.00 C ATOM 1237 O ILE A 83 8.410 -0.131 4.836 1.00 0.00 O ATOM 1238 CB ILE A 83 6.154 -0.741 2.532 1.00 0.00 C ATOM 1239 CG1 ILE A 83 7.042 -0.956 1.303 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.065 0.756 2.837 1.00 0.00 C ATOM 1241 CD1 ILE A 83 6.238 -0.663 0.036 1.00 0.00 C ATOM 0 H ILE A 83 6.248 -0.436 5.527 1.00 0.00 H new ATOM 0 HA ILE A 83 6.820 -2.547 3.564 1.00 0.00 H new ATOM 0 HB ILE A 83 5.156 -1.132 2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.914 -0.304 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.412 -1.981 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.634 1.277 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.434 0.912 3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 83 7.063 1.147 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.870 -0.816 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.380 -1.334 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.890 0.370 0.056 1.00 0.00 H new ATOM 1253 N GLY A 84 9.145 -1.509 3.293 1.00 0.00 N ATOM 1254 CA GLY A 84 10.554 -1.071 3.508 1.00 0.00 C ATOM 1255 C GLY A 84 10.963 -0.100 2.399 1.00 0.00 C ATOM 1256 O GLY A 84 10.832 1.095 2.608 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.401 -0.567 1.361 1.00 0.00 O ATOM 0 H GLY A 84 9.017 -2.225 2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.652 -0.590 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.218 -1.935 3.512 1.00 0.00 H new