USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 64 HIS : no HD1:sc= -0.0616 X(o=-0.062,f=-0.51) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.426 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 157:sc= -0.117 (180deg=-0.358) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.766 K(o=-0.77,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 218 N ALA A 61 -13.036 10.782 -9.017 1.00 0.00 N ATOM 219 CA ALA A 61 -12.500 10.083 -7.847 1.00 0.00 C ATOM 220 C ALA A 61 -13.553 9.605 -6.830 1.00 0.00 C ATOM 221 O ALA A 61 -14.466 10.351 -6.459 1.00 0.00 O ATOM 222 CB ALA A 61 -11.507 11.004 -7.136 1.00 0.00 C ATOM 0 HA ALA A 61 -12.029 9.178 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.100 10.495 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.696 11.260 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.017 11.915 -6.821 1.00 0.00 H new ATOM 228 N ALA A 62 -13.353 8.389 -6.316 1.00 0.00 N ATOM 229 CA ALA A 62 -14.127 7.785 -5.236 1.00 0.00 C ATOM 230 C ALA A 62 -13.380 7.714 -3.892 1.00 0.00 C ATOM 231 O ALA A 62 -12.151 7.762 -3.833 1.00 0.00 O ATOM 232 CB ALA A 62 -14.626 6.406 -5.695 1.00 0.00 C ATOM 0 H ALA A 62 -12.614 7.774 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.977 8.437 -5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.206 5.944 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.254 6.522 -6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.773 5.772 -5.937 1.00 0.00 H new ATOM 238 N LEU A 63 -14.147 7.587 -2.805 1.00 0.00 N ATOM 239 CA LEU A 63 -13.658 7.508 -1.424 1.00 0.00 C ATOM 240 C LEU A 63 -14.255 6.301 -0.682 1.00 0.00 C ATOM 241 O LEU A 63 -15.405 5.920 -0.913 1.00 0.00 O ATOM 242 CB LEU A 63 -14.015 8.801 -0.663 1.00 0.00 C ATOM 243 CG LEU A 63 -13.373 10.097 -1.192 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.904 11.291 -0.400 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.853 10.077 -1.042 1.00 0.00 C ATOM 0 H LEU A 63 -15.164 7.534 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.576 7.386 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.098 8.922 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.726 8.676 0.381 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.627 10.178 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.449 12.208 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.986 11.350 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.656 11.168 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.437 11.008 -1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.593 9.971 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.443 9.238 -1.604 1.00 0.00 H new ATOM 257 N HIS A 64 -13.498 5.753 0.272 1.00 0.00 N ATOM 258 CA HIS A 64 -14.029 4.861 1.309 1.00 0.00 C ATOM 259 C HIS A 64 -14.928 5.655 2.269 1.00 0.00 C ATOM 260 O HIS A 64 -14.516 6.701 2.775 1.00 0.00 O ATOM 261 CB HIS A 64 -12.867 4.223 2.079 1.00 0.00 C ATOM 262 CG HIS A 64 -12.063 3.218 1.295 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.485 1.925 0.970 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.786 3.395 0.848 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.447 1.353 0.337 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.413 2.210 0.253 1.00 0.00 N ATOM 0 H HIS A 64 -12.494 5.916 0.348 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.622 4.075 0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.199 5.014 2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.264 3.734 2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.186 4.288 0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.443 0.345 -0.051 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.509 2.016 -0.177 1.00 0.00 H new ATOM 274 N ALA A 65 -16.141 5.164 2.543 1.00 0.00 N ATOM 275 CA ALA A 65 -17.124 5.867 3.377 1.00 0.00 C ATOM 276 C ALA A 65 -17.096 5.459 4.868 1.00 0.00 C ATOM 277 O ALA A 65 -17.517 6.235 5.728 1.00 0.00 O ATOM 278 CB ALA A 65 -18.509 5.635 2.761 1.00 0.00 C ATOM 0 H ALA A 65 -16.471 4.265 2.192 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.868 6.927 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.263 6.146 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.525 6.027 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.724 4.567 2.741 1.00 0.00 H new ATOM 284 N GLU A 66 -16.607 4.252 5.181 1.00 0.00 N ATOM 285 CA GLU A 66 -16.648 3.636 6.519 1.00 0.00 C ATOM 286 C GLU A 66 -15.355 2.862 6.846 1.00 0.00 C ATOM 287 O GLU A 66 -14.563 2.531 5.957 1.00 0.00 O ATOM 288 CB GLU A 66 -17.862 2.690 6.623 1.00 0.00 C ATOM 289 CG GLU A 66 -19.216 3.404 6.518 1.00 0.00 C ATOM 290 CD GLU A 66 -20.376 2.423 6.772 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.872 1.794 5.804 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.810 2.274 7.941 1.00 0.00 O ATOM 0 H GLU A 66 -16.156 3.655 4.488 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.740 4.443 7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.795 1.941 5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.815 2.158 7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.259 4.219 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.321 3.849 5.529 1.00 0.00 H new ATOM 299 N GLY A 67 -15.148 2.547 8.132 1.00 0.00 N ATOM 300 CA GLY A 67 -14.004 1.759 8.616 1.00 0.00 C ATOM 301 C GLY A 67 -12.670 2.531 8.674 1.00 0.00 C ATOM 302 O GLY A 67 -12.659 3.759 8.545 1.00 0.00 O ATOM 0 H GLY A 67 -15.780 2.837 8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.235 1.383 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.878 0.891 7.969 1.00 0.00 H new ATOM 306 N PRO A 68 -11.527 1.833 8.855 1.00 0.00 N ATOM 307 CA PRO A 68 -10.207 2.450 9.061 1.00 0.00 C ATOM 308 C PRO A 68 -9.770 3.418 7.949 1.00 0.00 C ATOM 309 O PRO A 68 -9.004 4.351 8.199 1.00 0.00 O ATOM 310 CB PRO A 68 -9.213 1.282 9.145 1.00 0.00 C ATOM 311 CG PRO A 68 -9.961 0.076 8.581 1.00 0.00 C ATOM 312 CD PRO A 68 -11.412 0.381 8.921 1.00 0.00 C ATOM 0 HA PRO A 68 -10.245 3.063 9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.311 1.490 8.569 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.900 1.105 10.174 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.811 -0.025 7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.627 -0.856 9.038 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.090 -0.099 8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.669 0.011 9.913 1.00 0.00 H new ATOM 320 N LEU A 69 -10.253 3.190 6.725 1.00 0.00 N ATOM 321 CA LEU A 69 -9.905 3.956 5.527 1.00 0.00 C ATOM 322 C LEU A 69 -10.908 5.082 5.203 1.00 0.00 C ATOM 323 O LEU A 69 -10.754 5.760 4.187 1.00 0.00 O ATOM 324 CB LEU A 69 -9.731 2.963 4.366 1.00 0.00 C ATOM 325 CG LEU A 69 -8.637 1.891 4.560 1.00 0.00 C ATOM 326 CD1 LEU A 69 -8.609 0.971 3.343 1.00 0.00 C ATOM 327 CD2 LEU A 69 -7.253 2.503 4.770 1.00 0.00 C ATOM 0 H LEU A 69 -10.920 2.442 6.535 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.969 4.486 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.682 2.458 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.505 3.527 3.461 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.884 1.328 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.837 0.213 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.579 0.486 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.391 1.556 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.520 1.707 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.985 3.104 3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.266 3.135 5.658 1.00 0.00 H new ATOM 339 N ALA A 70 -11.933 5.298 6.039 1.00 0.00 N ATOM 340 CA ALA A 70 -12.947 6.333 5.820 1.00 0.00 C ATOM 341 C ALA A 70 -12.323 7.712 5.508 1.00 0.00 C ATOM 342 O ALA A 70 -11.471 8.209 6.252 1.00 0.00 O ATOM 343 CB ALA A 70 -13.869 6.413 7.042 1.00 0.00 C ATOM 0 H ALA A 70 -12.081 4.755 6.890 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.529 6.052 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.623 7.183 6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.359 5.451 7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.281 6.662 7.926 1.00 0.00 H new ATOM 349 N GLY A 71 -12.755 8.325 4.401 1.00 0.00 N ATOM 350 CA GLY A 71 -12.235 9.602 3.897 1.00 0.00 C ATOM 351 C GLY A 71 -11.100 9.506 2.874 1.00 0.00 C ATOM 352 O GLY A 71 -10.679 10.541 2.358 1.00 0.00 O ATOM 0 H GLY A 71 -13.495 7.938 3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.059 10.155 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.884 10.189 4.746 1.00 0.00 H new ATOM 356 N LEU A 72 -10.595 8.302 2.578 1.00 0.00 N ATOM 357 CA LEU A 72 -9.418 8.095 1.721 1.00 0.00 C ATOM 358 C LEU A 72 -9.792 7.523 0.326 1.00 0.00 C ATOM 359 O LEU A 72 -10.834 6.873 0.209 1.00 0.00 O ATOM 360 CB LEU A 72 -8.434 7.192 2.486 1.00 0.00 C ATOM 361 CG LEU A 72 -8.039 7.636 3.910 1.00 0.00 C ATOM 362 CD1 LEU A 72 -6.958 6.693 4.443 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.505 9.069 3.968 1.00 0.00 C ATOM 0 H LEU A 72 -10.996 7.433 2.930 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.945 9.053 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.869 6.195 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.523 7.105 1.893 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.943 7.599 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.672 6.999 5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.345 5.674 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.086 6.733 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.245 9.319 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.618 9.153 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.270 9.757 3.609 1.00 0.00 H new ATOM 375 N PRO A 73 -8.970 7.729 -0.730 1.00 0.00 N ATOM 376 CA PRO A 73 -9.187 7.165 -2.076 1.00 0.00 C ATOM 377 C PRO A 73 -9.338 5.643 -2.064 1.00 0.00 C ATOM 378 O PRO A 73 -8.657 4.952 -1.306 1.00 0.00 O ATOM 379 CB PRO A 73 -7.961 7.572 -2.905 1.00 0.00 C ATOM 380 CG PRO A 73 -6.885 7.811 -1.850 1.00 0.00 C ATOM 381 CD PRO A 73 -7.684 8.422 -0.708 1.00 0.00 C ATOM 0 HA PRO A 73 -10.118 7.547 -2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.671 6.788 -3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.153 8.469 -3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.393 6.885 -1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.106 8.484 -2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.177 8.282 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.812 9.496 -0.847 1.00 0.00 H new ATOM 389 N VAL A 74 -10.176 5.106 -2.949 1.00 0.00 N ATOM 390 CA VAL A 74 -10.277 3.653 -3.158 1.00 0.00 C ATOM 391 C VAL A 74 -9.159 3.157 -4.089 1.00 0.00 C ATOM 392 O VAL A 74 -8.658 2.047 -3.899 1.00 0.00 O ATOM 393 CB VAL A 74 -11.685 3.245 -3.647 1.00 0.00 C ATOM 394 CG1 VAL A 74 -11.857 1.724 -3.696 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.779 3.787 -2.718 1.00 0.00 C ATOM 0 H VAL A 74 -10.801 5.655 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.135 3.159 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.781 3.667 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.861 1.482 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.123 1.297 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.710 1.309 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.757 3.482 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.633 3.389 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.725 4.875 -2.689 1.00 0.00 H new ATOM 405 N THR A 75 -8.719 3.985 -5.047 1.00 0.00 N ATOM 406 CA THR A 75 -7.727 3.625 -6.083 1.00 0.00 C ATOM 407 C THR A 75 -6.639 4.690 -6.285 1.00 0.00 C ATOM 408 O THR A 75 -6.772 5.835 -5.850 1.00 0.00 O ATOM 409 CB THR A 75 -8.416 3.325 -7.433 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.645 4.525 -8.144 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.755 2.598 -7.300 1.00 0.00 C ATOM 0 H THR A 75 -9.048 4.947 -5.129 1.00 0.00 H new ATOM 0 HA THR A 75 -7.233 2.726 -5.714 1.00 0.00 H new ATOM 0 HB THR A 75 -7.729 2.666 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.081 4.321 -8.998 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.175 2.424 -8.291 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.602 1.643 -6.798 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.444 3.208 -6.716 1.00 0.00 H new ATOM 419 N ARG A 76 -5.565 4.331 -7.007 1.00 0.00 N ATOM 420 CA ARG A 76 -4.505 5.284 -7.414 1.00 0.00 C ATOM 421 C ARG A 76 -5.047 6.386 -8.332 1.00 0.00 C ATOM 422 O ARG A 76 -4.642 7.537 -8.200 1.00 0.00 O ATOM 423 CB ARG A 76 -3.343 4.534 -8.101 1.00 0.00 C ATOM 424 CG ARG A 76 -2.634 3.540 -7.169 1.00 0.00 C ATOM 425 CD ARG A 76 -1.435 2.867 -7.850 1.00 0.00 C ATOM 426 NE ARG A 76 -1.849 2.034 -8.997 1.00 0.00 N ATOM 427 CZ ARG A 76 -1.436 2.115 -10.253 1.00 0.00 C ATOM 428 NH1 ARG A 76 -0.561 2.990 -10.664 1.00 0.00 N ATOM 429 NH2 ARG A 76 -1.911 1.297 -11.146 1.00 0.00 N ATOM 0 H ARG A 76 -5.402 3.376 -7.327 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.133 5.766 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.727 3.999 -8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.617 5.259 -8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.296 4.061 -6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.343 2.777 -6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.735 3.630 -8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.906 2.249 -7.125 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.537 1.308 -8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.159 3.657 -10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.279 3.007 -11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.601 0.594 -10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.594 1.358 -12.114 1.00 0.00 H new ATOM 443 N SER A 77 -6.015 6.058 -9.188 1.00 0.00 N ATOM 444 CA SER A 77 -6.712 7.033 -10.042 1.00 0.00 C ATOM 445 C SER A 77 -7.545 8.010 -9.204 1.00 0.00 C ATOM 446 O SER A 77 -7.450 9.223 -9.409 1.00 0.00 O ATOM 447 CB SER A 77 -7.586 6.302 -11.068 1.00 0.00 C ATOM 448 OG SER A 77 -8.117 7.223 -12.010 1.00 0.00 O ATOM 0 H SER A 77 -6.344 5.101 -9.313 1.00 0.00 H new ATOM 0 HA SER A 77 -5.965 7.619 -10.577 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.996 5.544 -11.583 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.398 5.783 -10.559 1.00 0.00 H new ATOM 0 HG SER A 77 -8.672 6.743 -12.660 1.00 0.00 H new ATOM 454 N ASP A 78 -8.264 7.522 -8.180 1.00 0.00 N ATOM 455 CA ASP A 78 -8.978 8.403 -7.244 1.00 0.00 C ATOM 456 C ASP A 78 -8.001 9.338 -6.531 1.00 0.00 C ATOM 457 O ASP A 78 -8.230 10.541 -6.484 1.00 0.00 O ATOM 458 CB ASP A 78 -9.761 7.636 -6.170 1.00 0.00 C ATOM 459 CG ASP A 78 -10.754 6.598 -6.683 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.403 6.829 -7.733 1.00 0.00 O ATOM 461 OD2 ASP A 78 -10.947 5.603 -5.953 1.00 0.00 O ATOM 0 H ASP A 78 -8.366 6.527 -7.981 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.686 8.964 -7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.047 7.135 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.303 8.357 -5.558 1.00 0.00 H new ATOM 466 N ALA A 79 -6.885 8.808 -6.023 1.00 0.00 N ATOM 467 CA ALA A 79 -5.868 9.583 -5.318 1.00 0.00 C ATOM 468 C ALA A 79 -5.247 10.680 -6.204 1.00 0.00 C ATOM 469 O ALA A 79 -5.176 11.839 -5.802 1.00 0.00 O ATOM 470 CB ALA A 79 -4.815 8.597 -4.804 1.00 0.00 C ATOM 0 H ALA A 79 -6.662 7.815 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.323 10.117 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.036 9.142 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.285 7.882 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.373 8.065 -5.646 1.00 0.00 H new ATOM 476 N ARG A 80 -4.863 10.341 -7.442 1.00 0.00 N ATOM 477 CA ARG A 80 -4.302 11.280 -8.430 1.00 0.00 C ATOM 478 C ARG A 80 -5.295 12.388 -8.799 1.00 0.00 C ATOM 479 O ARG A 80 -4.912 13.556 -8.825 1.00 0.00 O ATOM 480 CB ARG A 80 -3.807 10.451 -9.632 1.00 0.00 C ATOM 481 CG ARG A 80 -3.104 11.278 -10.716 1.00 0.00 C ATOM 482 CD ARG A 80 -2.412 10.362 -11.732 1.00 0.00 C ATOM 483 NE ARG A 80 -1.931 11.113 -12.911 1.00 0.00 N ATOM 484 CZ ARG A 80 -0.691 11.482 -13.196 1.00 0.00 C ATOM 485 NH1 ARG A 80 0.291 11.378 -12.346 1.00 0.00 N ATOM 486 NH2 ARG A 80 -0.414 11.976 -14.367 1.00 0.00 N ATOM 0 H ARG A 80 -4.934 9.387 -7.795 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.454 11.822 -8.010 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.121 9.684 -9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.657 9.934 -10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.830 11.912 -11.225 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.370 11.940 -10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.571 9.859 -11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.107 9.586 -12.054 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.643 11.381 -13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.121 10.999 -11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.230 11.676 -12.612 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.151 12.079 -15.064 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.540 12.261 -14.588 1.00 0.00 H new ATOM 500 N VAL A 81 -6.574 12.058 -8.990 1.00 0.00 N ATOM 501 CA VAL A 81 -7.634 13.050 -9.260 1.00 0.00 C ATOM 502 C VAL A 81 -7.999 13.869 -8.012 1.00 0.00 C ATOM 503 O VAL A 81 -8.228 15.066 -8.147 1.00 0.00 O ATOM 504 CB VAL A 81 -8.864 12.382 -9.912 1.00 0.00 C ATOM 505 CG1 VAL A 81 -10.079 13.316 -10.020 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.534 11.927 -11.338 1.00 0.00 C ATOM 0 H VAL A 81 -6.911 11.096 -8.963 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.237 13.767 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.113 11.544 -9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.907 12.783 -10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.375 13.645 -9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.818 14.184 -10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.412 11.458 -11.783 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.241 12.790 -11.936 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.714 11.209 -11.310 1.00 0.00 H new ATOM 516 N LEU A 82 -7.981 13.304 -6.798 1.00 0.00 N ATOM 517 CA LEU A 82 -8.176 14.086 -5.563 1.00 0.00 C ATOM 518 C LEU A 82 -7.057 15.119 -5.375 1.00 0.00 C ATOM 519 O LEU A 82 -7.352 16.283 -5.111 1.00 0.00 O ATOM 520 CB LEU A 82 -8.273 13.145 -4.348 1.00 0.00 C ATOM 521 CG LEU A 82 -9.612 12.391 -4.272 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.462 11.157 -3.394 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.744 13.253 -3.711 1.00 0.00 C ATOM 0 H LEU A 82 -7.833 12.307 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.113 14.636 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.458 12.422 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.138 13.725 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.873 12.114 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.414 10.628 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.703 10.499 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.162 11.459 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.664 12.670 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.487 13.580 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.888 14.125 -4.349 1.00 0.00 H new ATOM 535 N ILE A 83 -5.792 14.740 -5.600 1.00 0.00 N ATOM 536 CA ILE A 83 -4.662 15.687 -5.566 1.00 0.00 C ATOM 537 C ILE A 83 -4.801 16.740 -6.676 1.00 0.00 C ATOM 538 O ILE A 83 -4.558 17.920 -6.422 1.00 0.00 O ATOM 539 CB ILE A 83 -3.307 14.955 -5.658 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.091 13.988 -4.467 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.160 15.989 -5.702 1.00 0.00 C ATOM 542 CD1 ILE A 83 -2.053 12.894 -4.749 1.00 0.00 C ATOM 0 H ILE A 83 -5.521 13.779 -5.809 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.688 16.201 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.311 14.361 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.775 14.562 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.042 13.519 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.204 15.469 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.283 16.632 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.182 16.596 -4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.952 12.253 -3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.377 12.296 -5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.091 13.354 -4.974 1.00 0.00 H new ATOM 554 N PHE A 84 -5.232 16.353 -7.883 1.00 0.00 N ATOM 555 CA PHE A 84 -5.487 17.314 -8.962 1.00 0.00 C ATOM 556 C PHE A 84 -6.566 18.341 -8.582 1.00 0.00 C ATOM 557 O PHE A 84 -6.332 19.541 -8.688 1.00 0.00 O ATOM 558 CB PHE A 84 -5.873 16.589 -10.260 1.00 0.00 C ATOM 559 CG PHE A 84 -6.160 17.541 -11.411 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.237 18.555 -11.726 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.378 17.467 -12.116 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.527 19.501 -12.723 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.668 18.411 -13.119 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.749 19.437 -13.411 1.00 0.00 C ATOM 0 H PHE A 84 -5.411 15.381 -8.136 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.558 17.861 -9.126 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.066 15.915 -10.546 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.754 15.973 -10.077 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.297 18.606 -11.197 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.088 16.687 -11.887 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.812 20.275 -12.960 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.597 18.348 -13.666 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.984 20.175 -14.164 1.00 0.00 H new ATOM 574 N ASN A 85 -7.725 17.888 -8.087 1.00 0.00 N ATOM 575 CA ASN A 85 -8.821 18.763 -7.672 1.00 0.00 C ATOM 576 C ASN A 85 -8.432 19.662 -6.480 1.00 0.00 C ATOM 577 O ASN A 85 -8.789 20.842 -6.453 1.00 0.00 O ATOM 578 CB ASN A 85 -10.041 17.884 -7.355 1.00 0.00 C ATOM 579 CG ASN A 85 -11.251 18.720 -6.964 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.911 19.323 -7.799 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.575 18.802 -5.691 1.00 0.00 N ATOM 0 H ASN A 85 -7.927 16.896 -7.964 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.063 19.449 -8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.286 17.274 -8.225 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.795 17.199 -6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.374 19.367 -5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.027 18.301 -4.992 1.00 0.00 H new ATOM 588 N GLU A 86 -7.665 19.126 -5.522 1.00 0.00 N ATOM 589 CA GLU A 86 -7.093 19.888 -4.408 1.00 0.00 C ATOM 590 C GLU A 86 -6.168 21.002 -4.922 1.00 0.00 C ATOM 591 O GLU A 86 -6.402 22.170 -4.595 1.00 0.00 O ATOM 592 CB GLU A 86 -6.347 18.936 -3.460 1.00 0.00 C ATOM 593 CG GLU A 86 -5.845 19.629 -2.188 1.00 0.00 C ATOM 594 CD GLU A 86 -4.877 18.711 -1.420 1.00 0.00 C ATOM 595 OE1 GLU A 86 -5.274 17.612 -0.970 1.00 0.00 O ATOM 596 OE2 GLU A 86 -3.682 19.059 -1.279 1.00 0.00 O ATOM 0 H GLU A 86 -7.422 18.136 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.900 20.368 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.009 18.116 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.499 18.498 -3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.343 20.561 -2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.690 19.890 -1.551 1.00 0.00 H new ATOM 603 N TRP A 87 -5.170 20.679 -5.764 1.00 0.00 N ATOM 604 CA TRP A 87 -4.347 21.699 -6.397 1.00 0.00 C ATOM 605 C TRP A 87 -5.207 22.726 -7.136 1.00 0.00 C ATOM 606 O TRP A 87 -4.985 23.917 -6.951 1.00 0.00 O ATOM 607 CB TRP A 87 -3.335 21.069 -7.359 1.00 0.00 C ATOM 608 CG TRP A 87 -2.640 22.090 -8.204 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.570 22.822 -7.825 1.00 0.00 C ATOM 610 CD2 TRP A 87 -3.031 22.603 -9.518 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.249 23.728 -8.819 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.127 23.647 -9.880 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.078 22.316 -10.422 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.257 24.366 -11.079 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.226 23.040 -11.618 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.323 24.066 -11.944 1.00 0.00 C ATOM 0 H TRP A 87 -4.923 19.722 -6.014 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.801 22.214 -5.607 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.595 20.509 -6.788 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.847 20.355 -8.004 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.045 22.716 -6.887 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.462 24.375 -8.773 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.777 21.526 -10.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.547 25.139 -11.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -5.038 22.806 -12.290 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.448 24.624 -12.860 1.00 0.00 H new ATOM 627 N GLU A 88 -6.197 22.302 -7.926 1.00 0.00 N ATOM 628 CA GLU A 88 -6.969 23.209 -8.774 1.00 0.00 C ATOM 629 C GLU A 88 -7.772 24.237 -7.955 1.00 0.00 C ATOM 630 O GLU A 88 -7.717 25.433 -8.243 1.00 0.00 O ATOM 631 CB GLU A 88 -7.890 22.400 -9.703 1.00 0.00 C ATOM 632 CG GLU A 88 -8.255 23.201 -10.956 1.00 0.00 C ATOM 633 CD GLU A 88 -9.700 22.913 -11.406 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.634 23.610 -10.937 1.00 0.00 O ATOM 635 OE2 GLU A 88 -9.917 21.999 -12.240 1.00 0.00 O ATOM 0 H GLU A 88 -6.483 21.325 -7.995 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.264 23.779 -9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.395 21.473 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.798 22.123 -9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.140 24.266 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.565 22.953 -11.762 1.00 0.00 H new ATOM 642 N GLU A 89 -8.463 23.805 -6.893 1.00 0.00 N ATOM 643 CA GLU A 89 -9.199 24.690 -5.985 1.00 0.00 C ATOM 644 C GLU A 89 -8.258 25.650 -5.237 1.00 0.00 C ATOM 645 O GLU A 89 -8.464 26.873 -5.250 1.00 0.00 O ATOM 646 CB GLU A 89 -10.028 23.815 -5.028 1.00 0.00 C ATOM 647 CG GLU A 89 -10.905 24.599 -4.038 1.00 0.00 C ATOM 648 CD GLU A 89 -10.141 25.137 -2.809 1.00 0.00 C ATOM 649 OE1 GLU A 89 -9.347 24.394 -2.190 1.00 0.00 O ATOM 650 OE2 GLU A 89 -10.347 26.308 -2.411 1.00 0.00 O ATOM 0 H GLU A 89 -8.527 22.819 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.871 25.331 -6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.668 23.160 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.350 23.175 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.365 25.437 -4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.714 23.954 -3.696 1.00 0.00 H new ATOM 657 N ARG A 90 -7.182 25.121 -4.638 1.00 0.00 N ATOM 658 CA ARG A 90 -6.200 25.947 -3.920 1.00 0.00 C ATOM 659 C ARG A 90 -5.543 26.956 -4.850 1.00 0.00 C ATOM 660 O ARG A 90 -5.532 28.139 -4.540 1.00 0.00 O ATOM 661 CB ARG A 90 -5.117 25.063 -3.309 1.00 0.00 C ATOM 662 CG ARG A 90 -5.585 24.083 -2.233 1.00 0.00 C ATOM 663 CD ARG A 90 -5.847 24.722 -0.862 1.00 0.00 C ATOM 664 NE ARG A 90 -7.137 25.437 -0.847 1.00 0.00 N ATOM 665 CZ ARG A 90 -7.497 26.470 -0.112 1.00 0.00 C ATOM 666 NH1 ARG A 90 -6.723 26.995 0.796 1.00 0.00 N ATOM 667 NH2 ARG A 90 -8.670 26.996 -0.299 1.00 0.00 N ATOM 0 H ARG A 90 -6.969 24.123 -4.636 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.732 26.484 -3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.644 24.495 -4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.350 25.706 -2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.499 23.597 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.833 23.302 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.846 23.951 -0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.041 25.415 -0.620 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.845 25.085 -1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.795 26.606 0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.046 27.795 1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.296 26.609 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.965 27.796 0.261 1.00 0.00 H new ATOM 681 N LYS A 91 -5.062 26.501 -6.007 1.00 0.00 N ATOM 682 CA LYS A 91 -4.470 27.339 -7.069 1.00 0.00 C ATOM 683 C LYS A 91 -5.423 28.434 -7.563 1.00 0.00 C ATOM 684 O LYS A 91 -4.988 29.571 -7.732 1.00 0.00 O ATOM 685 CB LYS A 91 -3.930 26.462 -8.216 1.00 0.00 C ATOM 686 CG LYS A 91 -3.134 27.253 -9.272 1.00 0.00 C ATOM 687 CD LYS A 91 -3.953 27.586 -10.532 1.00 0.00 C ATOM 688 CE LYS A 91 -3.094 28.391 -11.521 1.00 0.00 C ATOM 689 NZ LYS A 91 -3.810 28.651 -12.805 1.00 0.00 N ATOM 0 H LYS A 91 -5.070 25.509 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.624 27.870 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.291 25.684 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.766 25.960 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.774 28.180 -8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.255 26.677 -9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.300 26.667 -11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.840 28.158 -10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.811 29.340 -11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.171 27.848 -11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.194 29.196 -13.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.058 27.746 -13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.678 29.192 -12.615 1.00 0.00 H new ATOM 703 N LYS A 92 -6.721 28.150 -7.745 1.00 0.00 N ATOM 704 CA LYS A 92 -7.732 29.159 -8.078 1.00 0.00 C ATOM 705 C LYS A 92 -7.921 30.203 -6.964 1.00 0.00 C ATOM 706 O LYS A 92 -8.139 31.377 -7.267 1.00 0.00 O ATOM 707 CB LYS A 92 -9.007 28.374 -8.389 1.00 0.00 C ATOM 708 CG LYS A 92 -10.185 29.207 -8.891 1.00 0.00 C ATOM 709 CD LYS A 92 -11.291 28.200 -9.233 1.00 0.00 C ATOM 710 CE LYS A 92 -12.603 28.860 -9.691 1.00 0.00 C ATOM 711 NZ LYS A 92 -12.484 29.519 -11.024 1.00 0.00 N ATOM 0 H LYS A 92 -7.099 27.206 -7.664 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.426 29.758 -8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -8.774 27.618 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.316 27.845 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -10.519 29.911 -8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.905 29.793 -9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.935 27.535 -10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.491 27.581 -8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -13.389 28.106 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.910 29.599 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.396 29.947 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.754 30.259 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.218 28.812 -11.739 1.00 0.00 H new ATOM 725 N SER A 93 -7.778 29.805 -5.695 1.00 0.00 N ATOM 726 CA SER A 93 -7.785 30.737 -4.549 1.00 0.00 C ATOM 727 C SER A 93 -6.461 31.518 -4.351 1.00 0.00 C ATOM 728 O SER A 93 -6.483 32.706 -4.023 1.00 0.00 O ATOM 729 CB SER A 93 -8.145 29.962 -3.276 1.00 0.00 C ATOM 730 OG SER A 93 -8.557 30.865 -2.258 1.00 0.00 O ATOM 0 H SER A 93 -7.654 28.829 -5.428 1.00 0.00 H new ATOM 0 HA SER A 93 -8.535 31.497 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.943 29.250 -3.487 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.285 29.385 -2.936 1.00 0.00 H new ATOM 0 HG SER A 93 -8.787 30.363 -1.449 1.00 0.00 H new ATOM 736 N ASP A 94 -5.308 30.880 -4.588 1.00 0.00 N ATOM 737 CA ASP A 94 -3.942 31.356 -4.333 1.00 0.00 C ATOM 738 C ASP A 94 -2.961 30.731 -5.365 1.00 0.00 C ATOM 739 O ASP A 94 -2.651 29.539 -5.281 1.00 0.00 O ATOM 740 CB ASP A 94 -3.505 30.973 -2.909 1.00 0.00 C ATOM 741 CG ASP A 94 -4.139 31.868 -1.830 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.793 33.074 -1.769 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.934 31.361 -1.002 1.00 0.00 O ATOM 0 H ASP A 94 -5.306 29.945 -4.995 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.925 32.441 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.775 29.934 -2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.419 31.038 -2.837 1.00 0.00 H new ATOM 748 N PRO A 95 -2.448 31.500 -6.344 1.00 0.00 N ATOM 749 CA PRO A 95 -1.911 30.980 -7.615 1.00 0.00 C ATOM 750 C PRO A 95 -0.540 30.279 -7.564 1.00 0.00 C ATOM 751 O PRO A 95 -0.148 29.638 -8.542 1.00 0.00 O ATOM 752 CB PRO A 95 -1.874 32.197 -8.551 1.00 0.00 C ATOM 753 CG PRO A 95 -1.728 33.371 -7.586 1.00 0.00 C ATOM 754 CD PRO A 95 -2.624 32.935 -6.435 1.00 0.00 C ATOM 0 HA PRO A 95 -2.557 30.169 -7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.039 32.143 -9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.783 32.275 -9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.695 33.515 -7.269 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.059 34.310 -8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.339 33.427 -5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.666 33.193 -6.626 1.00 0.00 H new ATOM 762 N TRP A 96 0.203 30.389 -6.459 1.00 0.00 N ATOM 763 CA TRP A 96 1.588 29.899 -6.331 1.00 0.00 C ATOM 764 C TRP A 96 1.748 28.365 -6.313 1.00 0.00 C ATOM 765 O TRP A 96 2.867 27.872 -6.482 1.00 0.00 O ATOM 766 CB TRP A 96 2.180 30.453 -5.025 1.00 0.00 C ATOM 767 CG TRP A 96 1.651 29.788 -3.788 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.439 30.007 -3.234 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.255 28.711 -3.003 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.252 29.156 -2.161 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.334 28.320 -1.985 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.476 28.007 -3.073 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.611 27.284 -1.080 1.00 0.00 C ATOM 774 CZ3 TRP A 96 3.762 26.960 -2.174 1.00 0.00 C ATOM 775 CH2 TRP A 96 2.836 26.598 -1.181 1.00 0.00 C ATOM 0 H TRP A 96 -0.145 30.830 -5.607 1.00 0.00 H new ATOM 0 HA TRP A 96 2.107 30.247 -7.224 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.264 30.339 -5.052 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.973 31.522 -4.968 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.277 30.738 -3.578 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.582 29.148 -1.573 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.202 28.274 -3.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.895 27.017 -0.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.701 26.431 -2.249 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.064 25.795 -0.496 1.00 0.00 H new ATOM 786 N LEU A 97 0.681 27.613 -6.009 1.00 0.00 N ATOM 787 CA LEU A 97 0.806 26.234 -5.534 1.00 0.00 C ATOM 788 C LEU A 97 1.355 25.257 -6.600 1.00 0.00 C ATOM 789 O LEU A 97 0.934 25.274 -7.759 1.00 0.00 O ATOM 790 CB LEU A 97 -0.556 25.780 -4.980 1.00 0.00 C ATOM 791 CG LEU A 97 -0.527 24.403 -4.293 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.313 24.387 -3.016 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.948 24.009 -3.927 1.00 0.00 C ATOM 0 H LEU A 97 -0.282 27.942 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 97 1.553 26.215 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.912 26.523 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.277 25.752 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.075 23.705 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.293 23.388 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.342 24.659 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.096 25.103 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.941 23.034 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.368 24.751 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.556 23.958 -4.830 1.00 0.00 H new ATOM 805 N ARG A 98 2.249 24.351 -6.175 1.00 0.00 N ATOM 806 CA ARG A 98 2.814 23.254 -6.989 1.00 0.00 C ATOM 807 C ARG A 98 1.887 22.024 -7.010 1.00 0.00 C ATOM 808 O ARG A 98 1.201 21.740 -6.029 1.00 0.00 O ATOM 809 CB ARG A 98 4.206 22.860 -6.448 1.00 0.00 C ATOM 810 CG ARG A 98 5.366 23.803 -6.822 1.00 0.00 C ATOM 811 CD ARG A 98 5.201 25.265 -6.379 1.00 0.00 C ATOM 812 NE ARG A 98 6.477 25.997 -6.497 1.00 0.00 N ATOM 813 CZ ARG A 98 6.662 27.304 -6.423 1.00 0.00 C ATOM 814 NH1 ARG A 98 5.673 28.150 -6.357 1.00 0.00 N ATOM 815 NH2 ARG A 98 7.868 27.794 -6.422 1.00 0.00 N ATOM 0 H ARG A 98 2.614 24.359 -5.222 1.00 0.00 H new ATOM 0 HA ARG A 98 2.910 23.614 -8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.148 22.800 -5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.445 21.860 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.285 23.411 -6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.493 23.782 -7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.440 25.751 -6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.851 25.300 -5.347 1.00 0.00 H new ATOM 0 HE ARG A 98 7.311 25.430 -6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.711 27.811 -6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.861 29.151 -6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.672 27.169 -6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.009 28.803 -6.365 1.00 0.00 H new ATOM 829 N LEU A 99 1.900 21.274 -8.116 1.00 0.00 N ATOM 830 CA LEU A 99 1.112 20.051 -8.335 1.00 0.00 C ATOM 831 C LEU A 99 2.072 18.846 -8.468 1.00 0.00 C ATOM 832 O LEU A 99 2.893 18.808 -9.387 1.00 0.00 O ATOM 833 CB LEU A 99 0.238 20.282 -9.590 1.00 0.00 C ATOM 834 CG LEU A 99 -0.910 19.292 -9.903 1.00 0.00 C ATOM 835 CD1 LEU A 99 -1.522 19.708 -11.241 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.405 17.871 -10.095 1.00 0.00 C ATOM 0 H LEU A 99 2.484 21.510 -8.919 1.00 0.00 H new ATOM 0 HA LEU A 99 0.451 19.826 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.200 21.277 -9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.902 20.298 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.612 19.316 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.337 19.030 -11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.906 20.725 -11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.760 19.665 -12.019 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.246 17.212 -10.312 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.301 17.845 -10.925 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.093 17.536 -9.185 1.00 0.00 H new ATOM 848 N ASP A 100 1.953 17.853 -7.578 1.00 0.00 N ATOM 849 CA ASP A 100 2.711 16.590 -7.631 1.00 0.00 C ATOM 850 C ASP A 100 1.822 15.382 -7.271 1.00 0.00 C ATOM 851 O ASP A 100 1.362 15.261 -6.136 1.00 0.00 O ATOM 852 CB ASP A 100 3.919 16.660 -6.680 1.00 0.00 C ATOM 853 CG ASP A 100 5.018 17.612 -7.182 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.796 17.210 -8.081 1.00 0.00 O ATOM 855 OD2 ASP A 100 5.141 18.740 -6.647 1.00 0.00 O ATOM 0 H ASP A 100 1.315 17.903 -6.784 1.00 0.00 H new ATOM 0 HA ASP A 100 3.063 16.453 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.583 16.987 -5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.338 15.661 -6.558 1.00 0.00 H new ATOM 860 N MET A 101 1.582 14.477 -8.232 1.00 0.00 N ATOM 861 CA MET A 101 0.784 13.249 -8.034 1.00 0.00 C ATOM 862 C MET A 101 1.264 12.051 -8.873 1.00 0.00 C ATOM 863 O MET A 101 0.485 11.349 -9.522 1.00 0.00 O ATOM 864 CB MET A 101 -0.733 13.528 -8.123 1.00 0.00 C ATOM 865 CG MET A 101 -1.235 14.580 -9.114 1.00 0.00 C ATOM 866 SD MET A 101 -0.914 14.276 -10.872 1.00 0.00 S ATOM 867 CE MET A 101 -2.485 14.871 -11.561 1.00 0.00 C ATOM 0 H MET A 101 1.940 14.575 -9.182 1.00 0.00 H new ATOM 0 HA MET A 101 0.965 12.925 -7.009 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.228 12.587 -8.363 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.073 13.822 -7.130 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.312 14.685 -8.980 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.786 15.537 -8.848 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.343 15.148 -12.606 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.234 14.082 -11.494 1.00 0.00 H new ATOM 0 HE3 MET A 101 -2.823 15.741 -10.998 1.00 0.00 H new ATOM 877 N SER A 102 2.569 11.790 -8.809 1.00 0.00 N ATOM 878 CA SER A 102 3.164 10.493 -9.181 1.00 0.00 C ATOM 879 C SER A 102 2.867 9.426 -8.117 1.00 0.00 C ATOM 880 O SER A 102 2.569 9.744 -6.964 1.00 0.00 O ATOM 881 CB SER A 102 4.678 10.643 -9.389 1.00 0.00 C ATOM 882 OG SER A 102 4.941 11.597 -10.410 1.00 0.00 O ATOM 0 H SER A 102 3.256 12.476 -8.495 1.00 0.00 H new ATOM 0 HA SER A 102 2.714 10.166 -10.118 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.151 10.956 -8.458 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.112 9.681 -9.660 1.00 0.00 H new ATOM 0 HG SER A 102 5.909 11.686 -10.533 1.00 0.00 H new ATOM 888 N ASP A 103 2.990 8.146 -8.473 1.00 0.00 N ATOM 889 CA ASP A 103 2.625 7.012 -7.606 1.00 0.00 C ATOM 890 C ASP A 103 3.265 7.088 -6.207 1.00 0.00 C ATOM 891 O ASP A 103 2.587 6.859 -5.208 1.00 0.00 O ATOM 892 CB ASP A 103 3.008 5.703 -8.308 1.00 0.00 C ATOM 893 CG ASP A 103 2.138 5.448 -9.550 1.00 0.00 C ATOM 894 OD1 ASP A 103 1.022 4.896 -9.404 1.00 0.00 O ATOM 895 OD2 ASP A 103 2.574 5.796 -10.673 1.00 0.00 O ATOM 0 H ASP A 103 3.350 7.859 -9.383 1.00 0.00 H new ATOM 0 HA ASP A 103 1.548 7.053 -7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.057 5.740 -8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.901 4.872 -7.611 1.00 0.00 H new ATOM 900 N LYS A 104 4.524 7.543 -6.112 1.00 0.00 N ATOM 901 CA LYS A 104 5.214 7.795 -4.831 1.00 0.00 C ATOM 902 C LYS A 104 4.519 8.836 -3.948 1.00 0.00 C ATOM 903 O LYS A 104 4.375 8.626 -2.748 1.00 0.00 O ATOM 904 CB LYS A 104 6.692 8.136 -5.100 1.00 0.00 C ATOM 905 CG LYS A 104 6.957 9.491 -5.788 1.00 0.00 C ATOM 906 CD LYS A 104 8.412 9.639 -6.273 1.00 0.00 C ATOM 907 CE LYS A 104 9.484 9.592 -5.167 1.00 0.00 C ATOM 908 NZ LYS A 104 9.490 10.814 -4.311 1.00 0.00 N ATOM 0 H LYS A 104 5.100 7.749 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 104 5.166 6.877 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.227 8.122 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.120 7.347 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.283 9.600 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.727 10.298 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.620 8.846 -6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.505 10.585 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.314 8.717 -4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.466 9.470 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.230 10.726 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.680 11.650 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.564 10.919 -3.849 1.00 0.00 H new ATOM 922 N ALA A 105 4.018 9.918 -4.547 1.00 0.00 N ATOM 923 CA ALA A 105 3.209 10.931 -3.858 1.00 0.00 C ATOM 924 C ALA A 105 1.875 10.350 -3.378 1.00 0.00 C ATOM 925 O ALA A 105 1.445 10.623 -2.256 1.00 0.00 O ATOM 926 CB ALA A 105 3.033 12.148 -4.775 1.00 0.00 C ATOM 0 H ALA A 105 4.163 10.120 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 105 3.728 11.260 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.433 12.903 -4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.010 12.565 -5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.531 11.842 -5.693 1.00 0.00 H new ATOM 932 N ILE A 106 1.265 9.471 -4.184 1.00 0.00 N ATOM 933 CA ILE A 106 0.019 8.789 -3.788 1.00 0.00 C ATOM 934 C ILE A 106 0.274 7.860 -2.603 1.00 0.00 C ATOM 935 O ILE A 106 -0.451 7.938 -1.619 1.00 0.00 O ATOM 936 CB ILE A 106 -0.651 8.081 -4.992 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.445 9.096 -5.840 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.624 6.962 -4.575 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.568 10.135 -6.531 1.00 0.00 C ATOM 0 H ILE A 106 1.609 9.214 -5.109 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.700 9.537 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 106 0.165 7.637 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.018 8.557 -6.595 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.164 9.608 -5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.059 6.507 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.085 6.204 -4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.418 7.382 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.195 10.814 -7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.015 10.701 -5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.134 9.634 -7.198 1.00 0.00 H new ATOM 951 N PHE A 107 1.325 7.043 -2.639 1.00 0.00 N ATOM 952 CA PHE A 107 1.604 6.101 -1.542 1.00 0.00 C ATOM 953 C PHE A 107 2.053 6.813 -0.251 1.00 0.00 C ATOM 954 O PHE A 107 1.723 6.357 0.845 1.00 0.00 O ATOM 955 CB PHE A 107 2.615 5.025 -1.965 1.00 0.00 C ATOM 956 CG PHE A 107 2.333 4.337 -3.289 1.00 0.00 C ATOM 957 CD1 PHE A 107 1.007 4.074 -3.678 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.394 3.940 -4.122 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.742 3.457 -4.907 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.130 3.296 -5.345 1.00 0.00 C ATOM 961 CZ PHE A 107 1.802 3.063 -5.744 1.00 0.00 C ATOM 0 H PHE A 107 1.996 7.009 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 107 0.661 5.603 -1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.603 5.482 -2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.657 4.266 -1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.191 4.349 -3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.414 4.130 -3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.279 3.283 -5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.947 2.981 -5.977 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.596 2.583 -6.690 1.00 0.00 H new ATOM 971 N ARG A 108 2.749 7.959 -0.357 1.00 0.00 N ATOM 972 CA ARG A 108 3.128 8.798 0.793 1.00 0.00 C ATOM 973 C ARG A 108 1.935 9.517 1.438 1.00 0.00 C ATOM 974 O ARG A 108 1.888 9.603 2.665 1.00 0.00 O ATOM 975 CB ARG A 108 4.223 9.794 0.367 1.00 0.00 C ATOM 976 CG ARG A 108 5.623 9.166 0.232 1.00 0.00 C ATOM 977 CD ARG A 108 6.208 8.710 1.576 1.00 0.00 C ATOM 978 NE ARG A 108 7.598 8.229 1.423 1.00 0.00 N ATOM 979 CZ ARG A 108 8.717 8.897 1.649 1.00 0.00 C ATOM 980 NH1 ARG A 108 8.724 10.145 2.024 1.00 0.00 N ATOM 981 NH2 ARG A 108 9.872 8.312 1.502 1.00 0.00 N ATOM 0 H ARG A 108 3.067 8.332 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 108 3.520 8.137 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 108 3.943 10.240 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 108 4.268 10.603 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.568 8.312 -0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 108 6.298 9.890 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.184 9.538 2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.590 7.915 1.993 1.00 0.00 H new ATOM 0 HE ARG A 108 7.707 7.266 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.844 10.643 2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 108 9.610 10.623 2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 108 9.916 7.335 1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 108 10.732 8.831 1.677 1.00 0.00 H new ATOM 995 N ARG A 109 0.952 9.983 0.651 1.00 0.00 N ATOM 996 CA ARG A 109 -0.321 10.517 1.193 1.00 0.00 C ATOM 997 C ARG A 109 -1.244 9.419 1.737 1.00 0.00 C ATOM 998 O ARG A 109 -1.870 9.599 2.782 1.00 0.00 O ATOM 999 CB ARG A 109 -1.068 11.315 0.115 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.543 12.746 -0.048 1.00 0.00 C ATOM 1001 CD ARG A 109 -1.364 13.460 -1.128 1.00 0.00 C ATOM 1002 NE ARG A 109 -1.156 14.921 -1.089 1.00 0.00 N ATOM 1003 CZ ARG A 109 -2.084 15.864 -1.047 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -3.360 15.610 -1.007 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -1.749 17.117 -1.054 1.00 0.00 N ATOM 0 H ARG A 109 1.009 10.003 -0.367 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.052 11.167 2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.984 10.793 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.128 11.350 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.616 13.284 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.511 12.731 -0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -1.085 13.078 -2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.422 13.238 -0.988 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.187 15.240 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.688 14.644 -1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.032 16.377 -0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -0.765 17.382 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -2.470 17.838 -1.021 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.326 8.300 1.018 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.347 7.262 1.166 1.00 0.00 C ATOM 1021 C TYR A 110 -1.681 5.867 1.252 1.00 0.00 C ATOM 1022 O TYR A 110 -1.569 5.157 0.247 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.338 7.398 -0.007 1.00 0.00 C ATOM 1024 CG TYR A 110 -3.873 8.800 -0.249 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.693 9.426 0.708 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.535 9.485 -1.431 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.176 10.731 0.485 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.025 10.785 -1.666 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.839 11.419 -0.703 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.257 12.698 -0.916 1.00 0.00 O ATOM 0 H TYR A 110 -0.653 8.082 0.283 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.905 7.381 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.847 7.053 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.182 6.732 0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -4.953 8.904 1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.896 9.012 -2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -5.805 11.206 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.777 11.297 -2.584 1.00 0.00 H new ATOM 0 HH TYR A 110 -4.929 13.009 -1.786 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.198 5.456 2.444 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.326 4.284 2.605 1.00 0.00 C ATOM 1042 C PRO A 111 -1.021 2.932 2.370 1.00 0.00 C ATOM 1043 O PRO A 111 -0.349 1.905 2.270 1.00 0.00 O ATOM 1044 CB PRO A 111 0.245 4.401 4.023 1.00 0.00 C ATOM 1045 CG PRO A 111 -0.832 5.175 4.779 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.343 6.149 3.719 1.00 0.00 C ATOM 0 HA PRO A 111 0.451 4.290 1.840 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.421 3.421 4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.198 4.930 4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.623 4.519 5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.425 5.695 5.646 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.383 6.417 3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.768 7.075 3.729 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.354 2.909 2.252 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.128 1.705 1.931 1.00 0.00 C ATOM 1056 C HIS A 112 -3.107 1.327 0.435 1.00 0.00 C ATOM 1057 O HIS A 112 -3.540 0.223 0.093 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.550 1.868 2.478 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.372 2.923 1.786 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.145 4.302 1.836 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.456 2.673 0.998 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.115 4.846 1.081 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -6.923 3.898 0.586 1.00 0.00 N ATOM 0 H HIS A 112 -2.933 3.739 2.379 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.648 0.858 2.420 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.068 0.912 2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.491 2.110 3.539 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -6.866 1.706 0.748 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.228 5.904 0.898 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.744 4.058 0.003 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.596 2.192 -0.460 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.546 1.917 -1.909 1.00 0.00 C ATOM 1073 C LEU A 113 -1.351 1.030 -2.322 1.00 0.00 C ATOM 1074 O LEU A 113 -1.501 0.246 -3.266 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.599 3.225 -2.741 1.00 0.00 C ATOM 1076 CG LEU A 113 -3.981 3.887 -2.947 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.004 2.995 -3.641 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.605 4.302 -1.633 1.00 0.00 C ATOM 0 H LEU A 113 -2.207 3.099 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.442 1.339 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.945 3.954 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.177 3.015 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.761 4.745 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.945 3.535 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.633 2.716 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.166 2.096 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.575 4.763 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.737 3.425 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.954 5.018 -1.131 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.197 1.106 -1.632 1.00 0.00 N ATOM 1091 CA ARG A 114 0.947 0.191 -1.827 1.00 0.00 C ATOM 1092 C ARG A 114 1.707 -0.097 -0.521 1.00 0.00 C ATOM 1093 O ARG A 114 2.285 0.840 0.078 1.00 0.00 O ATOM 1094 CB ARG A 114 1.880 0.748 -2.919 1.00 0.00 C ATOM 1095 CG ARG A 114 2.910 -0.255 -3.465 1.00 0.00 C ATOM 1096 CD ARG A 114 2.250 -1.352 -4.309 1.00 0.00 C ATOM 1097 NE ARG A 114 3.250 -2.206 -4.976 1.00 0.00 N ATOM 1098 CZ ARG A 114 3.013 -3.126 -5.894 1.00 0.00 C ATOM 1099 NH1 ARG A 114 1.808 -3.402 -6.307 1.00 0.00 N ATOM 1100 NH2 ARG A 114 3.994 -3.795 -6.422 1.00 0.00 N ATOM 1101 OXT ARG A 114 1.718 -1.277 -0.102 1.00 0.00 O ATOM 0 H ARG A 114 -0.030 1.812 -0.915 1.00 0.00 H new ATOM 0 HA ARG A 114 0.553 -0.770 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.271 1.108 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.412 1.610 -2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.646 0.274 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.448 -0.711 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.614 -1.967 -3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.604 -0.895 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 114 4.223 -2.073 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.009 -2.901 -5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.664 -4.119 -7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.953 -3.611 -6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.805 -4.504 -7.130 1.00 0.00 H new