USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=7 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= -0.33 K(o=-0.33,f=-1.4) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 77 SER OG : rot 180:sc= 0.277 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= 1.9 (180deg=1.61) 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 -166:sc= -0.0298 (180deg=-0.493) 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= -0.112 K(o=-0.11,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 218 N ALA A 61 -13.547 11.551 -8.423 1.00 0.00 N ATOM 219 CA ALA A 61 -12.796 10.632 -7.564 1.00 0.00 C ATOM 220 C ALA A 61 -13.662 10.007 -6.454 1.00 0.00 C ATOM 221 O ALA A 61 -14.474 10.694 -5.828 1.00 0.00 O ATOM 222 CB ALA A 61 -11.624 11.392 -6.944 1.00 0.00 C ATOM 0 HA ALA A 61 -12.443 9.808 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.055 10.721 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.978 11.772 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.003 12.226 -6.353 1.00 0.00 H new ATOM 228 N ALA A 62 -13.445 8.719 -6.176 1.00 0.00 N ATOM 229 CA ALA A 62 -14.195 7.952 -5.182 1.00 0.00 C ATOM 230 C ALA A 62 -13.440 7.701 -3.866 1.00 0.00 C ATOM 231 O ALA A 62 -12.215 7.585 -3.840 1.00 0.00 O ATOM 232 CB ALA A 62 -14.681 6.645 -5.822 1.00 0.00 C ATOM 0 H ALA A 62 -12.726 8.169 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.048 8.561 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.241 6.067 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.324 6.873 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.823 6.065 -6.162 1.00 0.00 H new ATOM 238 N LEU A 63 -14.203 7.583 -2.773 1.00 0.00 N ATOM 239 CA LEU A 63 -13.709 7.369 -1.409 1.00 0.00 C ATOM 240 C LEU A 63 -14.298 6.101 -0.776 1.00 0.00 C ATOM 241 O LEU A 63 -15.456 5.746 -1.018 1.00 0.00 O ATOM 242 CB LEU A 63 -14.047 8.589 -0.525 1.00 0.00 C ATOM 243 CG LEU A 63 -13.501 9.948 -0.997 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.957 11.047 -0.037 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.977 9.966 -1.049 1.00 0.00 C ATOM 0 H LEU A 63 -15.221 7.636 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.628 7.243 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.132 8.665 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.668 8.399 0.479 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.887 10.118 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.569 12.008 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.046 11.083 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.581 10.835 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.636 10.944 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.577 9.766 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.628 9.201 -1.742 1.00 0.00 H new ATOM 257 N HIS A 64 -13.524 5.460 0.101 1.00 0.00 N ATOM 258 CA HIS A 64 -14.019 4.468 1.063 1.00 0.00 C ATOM 259 C HIS A 64 -14.877 5.148 2.143 1.00 0.00 C ATOM 260 O HIS A 64 -14.542 6.244 2.602 1.00 0.00 O ATOM 261 CB HIS A 64 -12.825 3.762 1.714 1.00 0.00 C ATOM 262 CG HIS A 64 -12.053 2.833 0.813 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.532 1.626 0.301 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.741 2.975 0.464 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.494 1.071 -0.345 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.409 1.858 -0.267 1.00 0.00 N ATOM 0 H HIS A 64 -12.518 5.617 0.166 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.638 3.739 0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.142 4.520 2.098 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.184 3.193 2.572 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.092 3.801 0.713 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.527 0.121 -0.858 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.497 1.662 -0.679 1.00 0.00 H new ATOM 274 N ALA A 65 -15.959 4.499 2.581 1.00 0.00 N ATOM 275 CA ALA A 65 -16.950 5.094 3.492 1.00 0.00 C ATOM 276 C ALA A 65 -16.876 4.593 4.954 1.00 0.00 C ATOM 277 O ALA A 65 -17.458 5.219 5.841 1.00 0.00 O ATOM 278 CB ALA A 65 -18.336 4.850 2.885 1.00 0.00 C ATOM 0 H ALA A 65 -16.177 3.539 2.314 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.730 6.158 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.099 5.279 3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.391 5.319 1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.506 3.778 2.785 1.00 0.00 H new ATOM 284 N GLU A 66 -16.183 3.479 5.219 1.00 0.00 N ATOM 285 CA GLU A 66 -16.201 2.773 6.514 1.00 0.00 C ATOM 286 C GLU A 66 -14.809 2.290 6.967 1.00 0.00 C ATOM 287 O GLU A 66 -13.894 2.112 6.156 1.00 0.00 O ATOM 288 CB GLU A 66 -17.162 1.568 6.433 1.00 0.00 C ATOM 289 CG GLU A 66 -18.648 1.937 6.282 1.00 0.00 C ATOM 290 CD GLU A 66 -19.228 2.733 7.474 1.00 0.00 C ATOM 291 OE1 GLU A 66 -18.689 2.658 8.609 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.268 3.415 7.294 1.00 0.00 O ATOM 0 H GLU A 66 -15.581 3.031 4.528 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.543 3.492 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.869 0.944 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.042 0.964 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.774 2.524 5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.227 1.022 6.155 1.00 0.00 H new ATOM 299 N GLY A 67 -14.660 2.052 8.275 1.00 0.00 N ATOM 300 CA GLY A 67 -13.436 1.518 8.890 1.00 0.00 C ATOM 301 C GLY A 67 -12.238 2.488 8.871 1.00 0.00 C ATOM 302 O GLY A 67 -12.419 3.692 8.656 1.00 0.00 O ATOM 0 H GLY A 67 -15.402 2.229 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.652 1.247 9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.154 0.601 8.372 1.00 0.00 H new ATOM 306 N PRO A 68 -10.995 1.994 9.061 1.00 0.00 N ATOM 307 CA PRO A 68 -9.780 2.826 9.046 1.00 0.00 C ATOM 308 C PRO A 68 -9.558 3.582 7.724 1.00 0.00 C ATOM 309 O PRO A 68 -8.897 4.623 7.700 1.00 0.00 O ATOM 310 CB PRO A 68 -8.619 1.857 9.306 1.00 0.00 C ATOM 311 CG PRO A 68 -9.170 0.483 8.930 1.00 0.00 C ATOM 312 CD PRO A 68 -10.646 0.597 9.291 1.00 0.00 C ATOM 0 HA PRO A 68 -9.864 3.609 9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.747 2.113 8.704 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.305 1.886 10.349 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.029 0.267 7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.679 -0.315 9.486 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.253 -0.066 8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.819 0.315 10.329 1.00 0.00 H new ATOM 320 N LEU A 69 -10.123 3.065 6.630 1.00 0.00 N ATOM 321 CA LEU A 69 -10.058 3.641 5.285 1.00 0.00 C ATOM 322 C LEU A 69 -11.118 4.734 5.031 1.00 0.00 C ATOM 323 O LEU A 69 -11.051 5.394 3.994 1.00 0.00 O ATOM 324 CB LEU A 69 -10.122 2.474 4.273 1.00 0.00 C ATOM 325 CG LEU A 69 -8.760 2.029 3.705 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.714 1.761 4.789 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.917 0.731 2.910 1.00 0.00 C ATOM 0 H LEU A 69 -10.660 2.198 6.659 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.117 4.177 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.594 1.619 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.766 2.767 3.444 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.420 2.854 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.778 1.452 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.548 2.670 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.069 0.970 5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.948 0.427 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.303 -0.051 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.612 0.891 2.085 1.00 0.00 H new ATOM 339 N ALA A 70 -12.066 4.973 5.946 1.00 0.00 N ATOM 340 CA ALA A 70 -13.104 5.990 5.769 1.00 0.00 C ATOM 341 C ALA A 70 -12.508 7.374 5.427 1.00 0.00 C ATOM 342 O ALA A 70 -11.660 7.901 6.153 1.00 0.00 O ATOM 343 CB ALA A 70 -13.975 6.058 7.029 1.00 0.00 C ATOM 0 H ALA A 70 -12.133 4.466 6.828 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.724 5.701 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.748 6.815 6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.443 5.089 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.355 6.319 7.887 1.00 0.00 H new ATOM 349 N GLY A 71 -12.960 7.960 4.312 1.00 0.00 N ATOM 350 CA GLY A 71 -12.480 9.247 3.800 1.00 0.00 C ATOM 351 C GLY A 71 -11.294 9.188 2.834 1.00 0.00 C ATOM 352 O GLY A 71 -10.850 10.241 2.376 1.00 0.00 O ATOM 0 H GLY A 71 -13.685 7.543 3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.308 9.746 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.200 9.871 4.649 1.00 0.00 H new ATOM 356 N LEU A 72 -10.769 7.998 2.527 1.00 0.00 N ATOM 357 CA LEU A 72 -9.561 7.817 1.710 1.00 0.00 C ATOM 358 C LEU A 72 -9.886 7.290 0.289 1.00 0.00 C ATOM 359 O LEU A 72 -10.900 6.609 0.123 1.00 0.00 O ATOM 360 CB LEU A 72 -8.604 6.887 2.475 1.00 0.00 C ATOM 361 CG LEU A 72 -8.245 7.271 3.926 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.125 6.349 4.413 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.771 8.718 4.074 1.00 0.00 C ATOM 0 H LEU A 72 -11.177 7.118 2.843 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.080 8.782 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.044 5.890 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.677 6.817 1.906 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.155 7.165 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.860 6.608 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.464 5.314 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.252 6.467 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.536 8.919 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.880 8.873 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.559 9.395 3.743 1.00 0.00 H new ATOM 375 N PRO A 73 -9.055 7.567 -0.743 1.00 0.00 N ATOM 376 CA PRO A 73 -9.270 7.120 -2.132 1.00 0.00 C ATOM 377 C PRO A 73 -9.399 5.596 -2.257 1.00 0.00 C ATOM 378 O PRO A 73 -8.684 4.854 -1.584 1.00 0.00 O ATOM 379 CB PRO A 73 -8.064 7.637 -2.932 1.00 0.00 C ATOM 380 CG PRO A 73 -6.985 7.821 -1.867 1.00 0.00 C ATOM 381 CD PRO A 73 -7.785 8.278 -0.658 1.00 0.00 C ATOM 0 HA PRO A 73 -10.213 7.514 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.755 6.926 -3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.291 8.574 -3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.448 6.893 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.243 8.562 -2.166 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.264 8.042 0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.937 9.357 -0.673 1.00 0.00 H new ATOM 389 N VAL A 74 -10.265 5.118 -3.155 1.00 0.00 N ATOM 390 CA VAL A 74 -10.425 3.672 -3.411 1.00 0.00 C ATOM 391 C VAL A 74 -9.291 3.129 -4.290 1.00 0.00 C ATOM 392 O VAL A 74 -8.773 2.042 -4.025 1.00 0.00 O ATOM 393 CB VAL A 74 -11.816 3.334 -3.987 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.010 1.823 -4.148 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.930 3.827 -3.058 1.00 0.00 C ATOM 0 H VAL A 74 -10.872 5.710 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.358 3.166 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.869 3.828 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.001 1.625 -4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.253 1.429 -4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.914 1.338 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.900 3.576 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.830 3.348 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.854 4.908 -2.941 1.00 0.00 H new ATOM 405 N THR A 75 -8.861 3.897 -5.296 1.00 0.00 N ATOM 406 CA THR A 75 -7.726 3.580 -6.185 1.00 0.00 C ATOM 407 C THR A 75 -6.794 4.779 -6.405 1.00 0.00 C ATOM 408 O THR A 75 -7.146 5.932 -6.132 1.00 0.00 O ATOM 409 CB THR A 75 -8.210 2.928 -7.493 1.00 0.00 C ATOM 410 OG1 THR A 75 -7.134 2.705 -8.379 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.235 3.791 -8.205 1.00 0.00 C ATOM 0 H THR A 75 -9.304 4.786 -5.526 1.00 0.00 H new ATOM 0 HA THR A 75 -7.109 2.838 -5.678 1.00 0.00 H new ATOM 0 HB THR A 75 -8.666 1.979 -7.212 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.468 2.289 -9.201 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.552 3.297 -9.123 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.098 3.940 -7.557 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.792 4.757 -8.447 1.00 0.00 H new ATOM 419 N ARG A 76 -5.578 4.530 -6.915 1.00 0.00 N ATOM 420 CA ARG A 76 -4.555 5.568 -7.155 1.00 0.00 C ATOM 421 C ARG A 76 -5.023 6.648 -8.132 1.00 0.00 C ATOM 422 O ARG A 76 -4.629 7.796 -7.985 1.00 0.00 O ATOM 423 CB ARG A 76 -3.209 4.924 -7.549 1.00 0.00 C ATOM 424 CG ARG A 76 -3.183 4.281 -8.948 1.00 0.00 C ATOM 425 CD ARG A 76 -1.798 3.703 -9.271 1.00 0.00 C ATOM 426 NE ARG A 76 -1.550 2.415 -8.590 1.00 0.00 N ATOM 427 CZ ARG A 76 -0.413 1.738 -8.608 1.00 0.00 C ATOM 428 NH1 ARG A 76 0.690 2.238 -9.086 1.00 0.00 N ATOM 429 NH2 ARG A 76 -0.362 0.524 -8.137 1.00 0.00 N ATOM 0 H ARG A 76 -5.271 3.593 -7.176 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.393 6.099 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.431 5.685 -7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.957 4.163 -6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.931 3.490 -9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.453 5.025 -9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.708 3.564 -10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.031 4.420 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.323 2.013 -8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.698 3.185 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.546 1.683 -9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.201 0.091 -7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.517 0.007 -8.154 1.00 0.00 H new ATOM 443 N SER A 77 -5.940 6.324 -9.043 1.00 0.00 N ATOM 444 CA SER A 77 -6.607 7.313 -9.909 1.00 0.00 C ATOM 445 C SER A 77 -7.560 8.240 -9.142 1.00 0.00 C ATOM 446 O SER A 77 -7.579 9.439 -9.417 1.00 0.00 O ATOM 447 CB SER A 77 -7.325 6.599 -11.060 1.00 0.00 C ATOM 448 OG SER A 77 -6.341 6.029 -11.913 1.00 0.00 O ATOM 0 H SER A 77 -6.247 5.365 -9.207 1.00 0.00 H new ATOM 0 HA SER A 77 -5.832 7.961 -10.318 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.987 5.824 -10.673 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.947 7.302 -11.614 1.00 0.00 H new ATOM 0 HG SER A 77 -6.781 5.565 -12.656 1.00 0.00 H new ATOM 454 N ASP A 78 -8.258 7.751 -8.107 1.00 0.00 N ATOM 455 CA ASP A 78 -9.001 8.635 -7.195 1.00 0.00 C ATOM 456 C ASP A 78 -8.025 9.527 -6.433 1.00 0.00 C ATOM 457 O ASP A 78 -8.233 10.730 -6.368 1.00 0.00 O ATOM 458 CB ASP A 78 -9.862 7.867 -6.180 1.00 0.00 C ATOM 459 CG ASP A 78 -10.838 6.876 -6.809 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.559 7.262 -7.759 1.00 0.00 O ATOM 461 OD2 ASP A 78 -10.893 5.736 -6.301 1.00 0.00 O ATOM 0 H ASP A 78 -8.324 6.759 -7.881 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.672 9.228 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.205 7.329 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.425 8.584 -5.582 1.00 0.00 H new ATOM 466 N ALA A 79 -6.921 8.971 -5.921 1.00 0.00 N ATOM 467 CA ALA A 79 -5.901 9.755 -5.214 1.00 0.00 C ATOM 468 C ALA A 79 -5.285 10.863 -6.099 1.00 0.00 C ATOM 469 O ALA A 79 -5.211 12.021 -5.686 1.00 0.00 O ATOM 470 CB ALA A 79 -4.845 8.777 -4.681 1.00 0.00 C ATOM 0 H ALA A 79 -6.710 7.975 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.361 10.289 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.071 9.331 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.316 8.068 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.396 8.236 -5.514 1.00 0.00 H new ATOM 476 N ARG A 80 -4.938 10.537 -7.353 1.00 0.00 N ATOM 477 CA ARG A 80 -4.464 11.475 -8.390 1.00 0.00 C ATOM 478 C ARG A 80 -5.470 12.603 -8.628 1.00 0.00 C ATOM 479 O ARG A 80 -5.091 13.770 -8.597 1.00 0.00 O ATOM 480 CB ARG A 80 -4.188 10.669 -9.679 1.00 0.00 C ATOM 481 CG ARG A 80 -3.310 11.422 -10.690 1.00 0.00 C ATOM 482 CD ARG A 80 -3.300 10.783 -12.088 1.00 0.00 C ATOM 483 NE ARG A 80 -3.006 9.331 -12.036 1.00 0.00 N ATOM 484 CZ ARG A 80 -3.829 8.335 -12.316 1.00 0.00 C ATOM 485 NH1 ARG A 80 -5.017 8.523 -12.815 1.00 0.00 N ATOM 486 NH2 ARG A 80 -3.498 7.102 -12.064 1.00 0.00 N ATOM 0 H ARG A 80 -4.980 9.575 -7.689 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.544 11.958 -8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.702 9.730 -9.415 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.137 10.415 -10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.663 12.450 -10.771 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.289 11.465 -10.311 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.268 10.940 -12.564 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.555 11.281 -12.708 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.062 9.071 -11.752 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.346 9.469 -13.005 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.618 7.724 -13.015 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.592 6.893 -11.644 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.144 6.345 -12.286 1.00 0.00 H new ATOM 500 N VAL A 81 -6.750 12.270 -8.805 1.00 0.00 N ATOM 501 CA VAL A 81 -7.808 13.264 -9.075 1.00 0.00 C ATOM 502 C VAL A 81 -8.176 14.076 -7.821 1.00 0.00 C ATOM 503 O VAL A 81 -8.422 15.274 -7.948 1.00 0.00 O ATOM 504 CB VAL A 81 -9.022 12.597 -9.755 1.00 0.00 C ATOM 505 CG1 VAL A 81 -10.215 13.550 -9.922 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.644 12.109 -11.161 1.00 0.00 C ATOM 0 H VAL A 81 -7.089 11.309 -8.767 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.416 13.996 -9.781 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.309 11.774 -9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.037 13.023 -10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.538 13.904 -8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.918 14.400 -10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.510 11.641 -11.629 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.319 12.956 -11.765 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.834 11.383 -11.089 1.00 0.00 H new ATOM 516 N LEU A 82 -8.129 13.506 -6.610 1.00 0.00 N ATOM 517 CA LEU A 82 -8.293 14.265 -5.359 1.00 0.00 C ATOM 518 C LEU A 82 -7.178 15.314 -5.197 1.00 0.00 C ATOM 519 O LEU A 82 -7.477 16.485 -4.964 1.00 0.00 O ATOM 520 CB LEU A 82 -8.317 13.300 -4.156 1.00 0.00 C ATOM 521 CG LEU A 82 -9.598 12.449 -4.038 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.357 11.313 -3.050 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.811 13.254 -3.573 1.00 0.00 C ATOM 0 H LEU A 82 -7.977 12.508 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.243 14.798 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.459 12.632 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.196 13.879 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.820 12.069 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.260 10.709 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.536 10.690 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.103 11.727 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.680 12.599 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.608 13.683 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.011 14.055 -4.285 1.00 0.00 H new ATOM 535 N ILE A 83 -5.909 14.927 -5.396 1.00 0.00 N ATOM 536 CA ILE A 83 -4.769 15.866 -5.360 1.00 0.00 C ATOM 537 C ILE A 83 -4.906 16.932 -6.457 1.00 0.00 C ATOM 538 O ILE A 83 -4.700 18.113 -6.196 1.00 0.00 O ATOM 539 CB ILE A 83 -3.421 15.112 -5.478 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.189 14.197 -4.249 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.256 16.115 -5.617 1.00 0.00 C ATOM 542 CD1 ILE A 83 -2.119 13.122 -4.480 1.00 0.00 C ATOM 0 H ILE A 83 -5.641 13.961 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.780 16.373 -4.395 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.460 14.487 -6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.897 14.812 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.129 13.712 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.315 15.571 -5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.403 16.722 -6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.226 16.762 -4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.009 12.519 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.419 12.483 -5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.168 13.600 -4.715 1.00 0.00 H new ATOM 554 N PHE A 84 -5.291 16.530 -7.672 1.00 0.00 N ATOM 555 CA PHE A 84 -5.504 17.439 -8.800 1.00 0.00 C ATOM 556 C PHE A 84 -6.583 18.496 -8.506 1.00 0.00 C ATOM 557 O PHE A 84 -6.323 19.690 -8.647 1.00 0.00 O ATOM 558 CB PHE A 84 -5.877 16.608 -10.033 1.00 0.00 C ATOM 559 CG PHE A 84 -6.264 17.376 -11.284 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.704 18.637 -11.571 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.205 16.817 -12.169 1.00 0.00 C ATOM 562 CE1 PHE A 84 -6.062 19.323 -12.739 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.576 17.507 -13.335 1.00 0.00 C ATOM 564 CZ PHE A 84 -7.001 18.759 -13.620 1.00 0.00 C ATOM 0 H PHE A 84 -5.465 15.552 -7.902 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.581 17.989 -8.982 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.032 15.964 -10.277 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.708 15.955 -9.764 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.994 19.077 -10.886 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.643 15.854 -11.951 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.618 20.282 -12.962 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.301 17.078 -14.011 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.282 19.288 -14.518 1.00 0.00 H new ATOM 574 N ASN A 85 -7.776 18.085 -8.070 1.00 0.00 N ATOM 575 CA ASN A 85 -8.871 19.012 -7.794 1.00 0.00 C ATOM 576 C ASN A 85 -8.589 19.904 -6.567 1.00 0.00 C ATOM 577 O ASN A 85 -8.942 21.084 -6.569 1.00 0.00 O ATOM 578 CB ASN A 85 -10.157 18.191 -7.633 1.00 0.00 C ATOM 579 CG ASN A 85 -11.359 19.045 -7.262 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.867 18.982 -6.151 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.851 19.879 -8.153 1.00 0.00 N ATOM 0 H ASN A 85 -8.007 17.106 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.981 19.705 -8.628 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.365 17.664 -8.564 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.005 17.433 -6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.650 20.467 -7.915 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.433 19.938 -9.082 1.00 0.00 H new ATOM 588 N GLU A 86 -7.900 19.373 -5.548 1.00 0.00 N ATOM 589 CA GLU A 86 -7.405 20.168 -4.420 1.00 0.00 C ATOM 590 C GLU A 86 -6.411 21.241 -4.892 1.00 0.00 C ATOM 591 O GLU A 86 -6.639 22.426 -4.630 1.00 0.00 O ATOM 592 CB GLU A 86 -6.791 19.251 -3.351 1.00 0.00 C ATOM 593 CG GLU A 86 -6.328 20.033 -2.118 1.00 0.00 C ATOM 594 CD GLU A 86 -5.824 19.076 -1.022 1.00 0.00 C ATOM 595 OE1 GLU A 86 -4.628 18.692 -1.048 1.00 0.00 O ATOM 596 OE2 GLU A 86 -6.617 18.711 -0.121 1.00 0.00 O ATOM 0 H GLU A 86 -7.671 18.381 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.247 20.692 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.525 18.503 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.944 18.714 -3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.533 20.724 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.152 20.634 -1.732 1.00 0.00 H new ATOM 603 N TRP A 87 -5.360 20.864 -5.640 1.00 0.00 N ATOM 604 CA TRP A 87 -4.454 21.818 -6.269 1.00 0.00 C ATOM 605 C TRP A 87 -5.220 22.854 -7.092 1.00 0.00 C ATOM 606 O TRP A 87 -4.938 24.032 -6.948 1.00 0.00 O ATOM 607 CB TRP A 87 -3.436 21.096 -7.162 1.00 0.00 C ATOM 608 CG TRP A 87 -2.671 22.017 -8.066 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.556 22.696 -7.728 1.00 0.00 C ATOM 610 CD2 TRP A 87 -2.994 22.436 -9.430 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.157 23.499 -8.782 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.004 23.371 -9.858 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.026 22.130 -10.346 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.021 23.951 -11.133 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.076 22.738 -11.614 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.076 23.642 -12.009 1.00 0.00 C ATOM 0 H TRP A 87 -5.122 19.889 -5.821 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.922 22.336 -5.471 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.733 20.553 -6.531 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.958 20.356 -7.768 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.050 22.624 -6.777 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.339 24.108 -8.763 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.789 21.418 -10.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.235 24.626 -11.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.888 22.508 -12.288 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.118 24.100 -12.986 1.00 0.00 H new ATOM 627 N GLU A 88 -6.194 22.457 -7.909 1.00 0.00 N ATOM 628 CA GLU A 88 -6.911 23.368 -8.794 1.00 0.00 C ATOM 629 C GLU A 88 -7.735 24.417 -8.025 1.00 0.00 C ATOM 630 O GLU A 88 -7.671 25.603 -8.363 1.00 0.00 O ATOM 631 CB GLU A 88 -7.755 22.527 -9.757 1.00 0.00 C ATOM 632 CG GLU A 88 -8.377 23.350 -10.884 1.00 0.00 C ATOM 633 CD GLU A 88 -9.710 24.030 -10.498 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.563 23.386 -9.836 1.00 0.00 O ATOM 635 OE2 GLU A 88 -9.943 25.191 -10.917 1.00 0.00 O ATOM 0 H GLU A 88 -6.508 21.489 -7.975 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.197 23.959 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.131 21.744 -10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.548 22.031 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.667 24.115 -11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.546 22.702 -11.744 1.00 0.00 H new ATOM 642 N GLU A 89 -8.430 24.031 -6.948 1.00 0.00 N ATOM 643 CA GLU A 89 -9.134 24.983 -6.078 1.00 0.00 C ATOM 644 C GLU A 89 -8.154 25.960 -5.400 1.00 0.00 C ATOM 645 O GLU A 89 -8.343 27.184 -5.449 1.00 0.00 O ATOM 646 CB GLU A 89 -9.965 24.221 -5.032 1.00 0.00 C ATOM 647 CG GLU A 89 -10.905 25.157 -4.262 1.00 0.00 C ATOM 648 CD GLU A 89 -11.597 24.425 -3.098 1.00 0.00 C ATOM 649 OE1 GLU A 89 -12.649 23.777 -3.312 1.00 0.00 O ATOM 650 OE2 GLU A 89 -11.083 24.512 -1.954 1.00 0.00 O ATOM 0 H GLU A 89 -8.520 23.058 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.806 25.579 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.549 23.445 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.297 23.720 -4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.340 26.005 -3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.658 25.558 -4.941 1.00 0.00 H new ATOM 657 N ARG A 90 -7.062 25.436 -4.815 1.00 0.00 N ATOM 658 CA ARG A 90 -6.021 26.272 -4.190 1.00 0.00 C ATOM 659 C ARG A 90 -5.406 27.226 -5.207 1.00 0.00 C ATOM 660 O ARG A 90 -5.398 28.422 -4.973 1.00 0.00 O ATOM 661 CB ARG A 90 -4.913 25.408 -3.581 1.00 0.00 C ATOM 662 CG ARG A 90 -5.333 24.433 -2.479 1.00 0.00 C ATOM 663 CD ARG A 90 -5.585 25.052 -1.093 1.00 0.00 C ATOM 664 NE ARG A 90 -6.813 25.879 -1.044 1.00 0.00 N ATOM 665 CZ ARG A 90 -8.068 25.472 -1.159 1.00 0.00 C ATOM 666 NH1 ARG A 90 -8.417 24.227 -1.275 1.00 0.00 N ATOM 667 NH2 ARG A 90 -9.056 26.312 -1.177 1.00 0.00 N ATOM 0 H ARG A 90 -6.877 24.434 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.501 26.848 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.447 24.836 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.148 26.070 -3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.242 23.924 -2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.559 23.672 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.660 24.255 -0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.729 25.666 -0.814 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.676 26.880 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.705 23.496 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.403 23.979 -1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.876 27.313 -1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.013 25.972 -1.267 1.00 0.00 H new ATOM 681 N LYS A 91 -4.974 26.708 -6.358 1.00 0.00 N ATOM 682 CA LYS A 91 -4.418 27.455 -7.508 1.00 0.00 C ATOM 683 C LYS A 91 -5.336 28.596 -7.970 1.00 0.00 C ATOM 684 O LYS A 91 -4.849 29.693 -8.245 1.00 0.00 O ATOM 685 CB LYS A 91 -4.132 26.480 -8.672 1.00 0.00 C ATOM 686 CG LYS A 91 -3.312 27.079 -9.825 1.00 0.00 C ATOM 687 CD LYS A 91 -1.849 27.306 -9.415 1.00 0.00 C ATOM 688 CE LYS A 91 -0.984 27.628 -10.640 1.00 0.00 C ATOM 689 NZ LYS A 91 0.455 27.693 -10.276 1.00 0.00 N ATOM 0 H LYS A 91 -5.000 25.703 -6.531 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.487 27.919 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.601 25.613 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.082 26.120 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.351 26.411 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.755 28.025 -10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.790 28.124 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.464 26.417 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.135 26.867 -11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.297 28.579 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.032 27.692 -11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.638 28.565 -9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.703 26.868 -9.693 1.00 0.00 H new ATOM 703 N LYS A 92 -6.658 28.367 -8.016 1.00 0.00 N ATOM 704 CA LYS A 92 -7.668 29.384 -8.341 1.00 0.00 C ATOM 705 C LYS A 92 -7.767 30.464 -7.248 1.00 0.00 C ATOM 706 O LYS A 92 -7.932 31.639 -7.574 1.00 0.00 O ATOM 707 CB LYS A 92 -8.984 28.640 -8.649 1.00 0.00 C ATOM 708 CG LYS A 92 -10.245 29.510 -8.754 1.00 0.00 C ATOM 709 CD LYS A 92 -10.990 29.564 -7.409 1.00 0.00 C ATOM 710 CE LYS A 92 -12.165 30.556 -7.408 1.00 0.00 C ATOM 711 NZ LYS A 92 -13.286 30.133 -8.298 1.00 0.00 N ATOM 0 H LYS A 92 -7.062 27.450 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.390 29.956 -9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -8.861 28.100 -9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.146 27.894 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.971 30.519 -9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.905 29.109 -9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -11.363 28.569 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.288 29.841 -6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.539 30.667 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.807 31.535 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.048 30.840 -8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.941 30.053 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.651 29.211 -7.983 1.00 0.00 H new ATOM 725 N SER A 93 -7.624 30.091 -5.974 1.00 0.00 N ATOM 726 CA SER A 93 -7.626 31.041 -4.843 1.00 0.00 C ATOM 727 C SER A 93 -6.285 31.787 -4.630 1.00 0.00 C ATOM 728 O SER A 93 -6.272 32.955 -4.236 1.00 0.00 O ATOM 729 CB SER A 93 -8.022 30.289 -3.567 1.00 0.00 C ATOM 730 OG SER A 93 -8.460 31.201 -2.571 1.00 0.00 O ATOM 0 H SER A 93 -7.503 29.119 -5.690 1.00 0.00 H new ATOM 0 HA SER A 93 -8.351 31.818 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.815 29.575 -3.789 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.172 29.716 -3.196 1.00 0.00 H new ATOM 0 HG SER A 93 -8.711 30.707 -1.763 1.00 0.00 H new ATOM 736 N ASP A 94 -5.152 31.135 -4.917 1.00 0.00 N ATOM 737 CA ASP A 94 -3.774 31.523 -4.605 1.00 0.00 C ATOM 738 C ASP A 94 -2.806 30.901 -5.650 1.00 0.00 C ATOM 739 O ASP A 94 -2.622 29.681 -5.682 1.00 0.00 O ATOM 740 CB ASP A 94 -3.396 31.032 -3.195 1.00 0.00 C ATOM 741 CG ASP A 94 -4.024 31.882 -2.077 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.631 33.065 -1.928 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.861 31.356 -1.303 1.00 0.00 O ATOM 0 H ASP A 94 -5.180 30.246 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.694 32.610 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.714 29.996 -3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.311 31.046 -3.089 1.00 0.00 H new ATOM 748 N PRO A 95 -2.157 31.705 -6.514 1.00 0.00 N ATOM 749 CA PRO A 95 -1.536 31.247 -7.770 1.00 0.00 C ATOM 750 C PRO A 95 -0.189 30.515 -7.640 1.00 0.00 C ATOM 751 O PRO A 95 0.278 29.922 -8.614 1.00 0.00 O ATOM 752 CB PRO A 95 -1.389 32.521 -8.614 1.00 0.00 C ATOM 753 CG PRO A 95 -1.242 33.611 -7.554 1.00 0.00 C ATOM 754 CD PRO A 95 -2.239 33.153 -6.501 1.00 0.00 C ATOM 0 HA PRO A 95 -2.170 30.481 -8.216 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.520 32.474 -9.270 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.259 32.689 -9.249 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.227 33.665 -7.161 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.485 34.599 -7.946 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.989 33.554 -5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.247 33.494 -6.737 1.00 0.00 H new ATOM 762 N TRP A 96 0.463 30.529 -6.477 1.00 0.00 N ATOM 763 CA TRP A 96 1.825 29.987 -6.294 1.00 0.00 C ATOM 764 C TRP A 96 1.949 28.457 -6.454 1.00 0.00 C ATOM 765 O TRP A 96 3.040 27.962 -6.743 1.00 0.00 O ATOM 766 CB TRP A 96 2.335 30.384 -4.903 1.00 0.00 C ATOM 767 CG TRP A 96 1.707 29.627 -3.771 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.435 29.774 -3.345 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.276 28.554 -2.957 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.181 28.894 -2.310 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.284 28.115 -2.029 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.526 27.895 -2.922 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.525 27.094 -1.098 1.00 0.00 C ATOM 774 CZ3 TRP A 96 3.774 26.860 -1.997 1.00 0.00 C ATOM 775 CH2 TRP A 96 2.780 26.463 -1.085 1.00 0.00 C ATOM 0 H TRP A 96 0.064 30.919 -5.623 1.00 0.00 H new ATOM 0 HA TRP A 96 2.425 30.418 -7.095 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.414 30.234 -4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.156 31.449 -4.755 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.278 30.475 -3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.709 28.829 -1.817 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.302 28.188 -3.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.756 26.797 -0.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.735 26.368 -1.989 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.981 25.674 -0.375 1.00 0.00 H new ATOM 786 N LEU A 97 0.866 27.697 -6.236 1.00 0.00 N ATOM 787 CA LEU A 97 0.956 26.267 -5.923 1.00 0.00 C ATOM 788 C LEU A 97 1.373 25.388 -7.128 1.00 0.00 C ATOM 789 O LEU A 97 0.915 25.609 -8.255 1.00 0.00 O ATOM 790 CB LEU A 97 -0.389 25.820 -5.314 1.00 0.00 C ATOM 791 CG LEU A 97 -0.360 24.449 -4.607 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.474 24.457 -3.326 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.782 24.054 -4.237 1.00 0.00 C ATOM 0 H LEU A 97 -0.089 28.054 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 97 1.760 26.125 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.715 26.574 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.137 25.788 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 97 0.094 23.742 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.456 23.465 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.502 24.729 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.059 25.182 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.772 23.086 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.206 24.804 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.388 23.989 -5.140 1.00 0.00 H new ATOM 805 N ARG A 98 2.159 24.332 -6.877 1.00 0.00 N ATOM 806 CA ARG A 98 2.519 23.264 -7.840 1.00 0.00 C ATOM 807 C ARG A 98 1.723 21.964 -7.593 1.00 0.00 C ATOM 808 O ARG A 98 1.381 21.653 -6.452 1.00 0.00 O ATOM 809 CB ARG A 98 4.033 22.986 -7.765 1.00 0.00 C ATOM 810 CG ARG A 98 4.886 24.153 -8.289 1.00 0.00 C ATOM 811 CD ARG A 98 6.380 23.791 -8.297 1.00 0.00 C ATOM 812 NE ARG A 98 6.974 23.791 -6.941 1.00 0.00 N ATOM 813 CZ ARG A 98 7.556 24.806 -6.326 1.00 0.00 C ATOM 814 NH1 ARG A 98 7.540 26.017 -6.804 1.00 0.00 N ATOM 815 NH2 ARG A 98 8.204 24.627 -5.213 1.00 0.00 N ATOM 0 H ARG A 98 2.583 24.186 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 98 2.258 23.615 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.308 22.778 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.261 22.089 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.567 24.415 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.726 25.033 -7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.509 22.806 -8.746 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.918 24.501 -8.925 1.00 0.00 H new ATOM 0 HE ARG A 98 6.929 22.912 -6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.065 26.211 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.002 26.772 -6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.268 23.695 -4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.649 25.419 -4.749 1.00 0.00 H new ATOM 829 N LEU A 99 1.436 21.218 -8.663 1.00 0.00 N ATOM 830 CA LEU A 99 0.684 19.950 -8.647 1.00 0.00 C ATOM 831 C LEU A 99 1.679 18.766 -8.690 1.00 0.00 C ATOM 832 O LEU A 99 2.418 18.620 -9.666 1.00 0.00 O ATOM 833 CB LEU A 99 -0.291 19.963 -9.853 1.00 0.00 C ATOM 834 CG LEU A 99 -1.509 19.009 -9.853 1.00 0.00 C ATOM 835 CD1 LEU A 99 -2.111 18.971 -11.256 1.00 0.00 C ATOM 836 CD2 LEU A 99 -1.160 17.591 -9.467 1.00 0.00 C ATOM 0 H LEU A 99 1.730 21.486 -9.602 1.00 0.00 H new ATOM 0 HA LEU A 99 0.098 19.835 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.671 20.979 -9.956 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.293 19.749 -10.748 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.207 19.397 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.970 18.301 -11.265 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.430 19.973 -11.543 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.363 18.612 -11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.060 16.976 -9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.431 17.191 -10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.737 17.581 -8.463 1.00 0.00 H new ATOM 848 N ASP A 100 1.698 17.911 -7.658 1.00 0.00 N ATOM 849 CA ASP A 100 2.589 16.737 -7.564 1.00 0.00 C ATOM 850 C ASP A 100 1.832 15.475 -7.101 1.00 0.00 C ATOM 851 O ASP A 100 1.321 15.422 -5.981 1.00 0.00 O ATOM 852 CB ASP A 100 3.763 17.044 -6.622 1.00 0.00 C ATOM 853 CG ASP A 100 4.764 18.035 -7.244 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.582 17.605 -8.094 1.00 0.00 O ATOM 855 OD2 ASP A 100 4.764 19.229 -6.861 1.00 0.00 O ATOM 0 H ASP A 100 1.085 18.014 -6.849 1.00 0.00 H new ATOM 0 HA ASP A 100 2.976 16.529 -8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.379 17.456 -5.688 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.279 16.117 -6.373 1.00 0.00 H new ATOM 860 N MET A 101 1.748 14.458 -7.971 1.00 0.00 N ATOM 861 CA MET A 101 0.984 13.214 -7.744 1.00 0.00 C ATOM 862 C MET A 101 1.564 12.004 -8.503 1.00 0.00 C ATOM 863 O MET A 101 0.860 11.236 -9.160 1.00 0.00 O ATOM 864 CB MET A 101 -0.534 13.444 -7.957 1.00 0.00 C ATOM 865 CG MET A 101 -0.946 14.410 -9.070 1.00 0.00 C ATOM 866 SD MET A 101 -0.736 13.836 -10.774 1.00 0.00 S ATOM 867 CE MET A 101 -2.033 14.823 -11.571 1.00 0.00 C ATOM 0 H MET A 101 2.220 14.474 -8.875 1.00 0.00 H new ATOM 0 HA MET A 101 1.099 12.939 -6.696 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.997 12.478 -8.160 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.955 13.809 -7.020 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.996 14.666 -8.925 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.374 15.330 -8.949 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.226 14.432 -12.570 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.946 14.771 -10.978 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.707 15.861 -11.645 1.00 0.00 H new ATOM 877 N SER A 102 2.881 11.812 -8.362 1.00 0.00 N ATOM 878 CA SER A 102 3.546 10.534 -8.675 1.00 0.00 C ATOM 879 C SER A 102 3.054 9.419 -7.739 1.00 0.00 C ATOM 880 O SER A 102 2.627 9.684 -6.612 1.00 0.00 O ATOM 881 CB SER A 102 5.067 10.712 -8.575 1.00 0.00 C ATOM 882 OG SER A 102 5.746 9.505 -8.893 1.00 0.00 O ATOM 0 H SER A 102 3.518 12.535 -8.028 1.00 0.00 H new ATOM 0 HA SER A 102 3.293 10.239 -9.693 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.389 11.503 -9.252 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.334 11.028 -7.566 1.00 0.00 H new ATOM 0 HG SER A 102 6.713 9.646 -8.823 1.00 0.00 H new ATOM 888 N ASP A 103 3.161 8.157 -8.161 1.00 0.00 N ATOM 889 CA ASP A 103 2.774 6.979 -7.369 1.00 0.00 C ATOM 890 C ASP A 103 3.383 7.008 -5.956 1.00 0.00 C ATOM 891 O ASP A 103 2.696 6.707 -4.981 1.00 0.00 O ATOM 892 CB ASP A 103 3.208 5.704 -8.110 1.00 0.00 C ATOM 893 CG ASP A 103 2.492 5.536 -9.461 1.00 0.00 C ATOM 894 OD1 ASP A 103 3.017 6.024 -10.491 1.00 0.00 O ATOM 895 OD2 ASP A 103 1.415 4.891 -9.499 1.00 0.00 O ATOM 0 H ASP A 103 3.527 7.917 -9.082 1.00 0.00 H new ATOM 0 HA ASP A 103 1.690 6.990 -7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.285 5.732 -8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.003 4.836 -7.483 1.00 0.00 H new ATOM 900 N LYS A 104 4.626 7.498 -5.819 1.00 0.00 N ATOM 901 CA LYS A 104 5.297 7.701 -4.522 1.00 0.00 C ATOM 902 C LYS A 104 4.553 8.708 -3.634 1.00 0.00 C ATOM 903 O LYS A 104 4.358 8.439 -2.451 1.00 0.00 O ATOM 904 CB LYS A 104 6.758 8.150 -4.736 1.00 0.00 C ATOM 905 CG LYS A 104 7.738 7.024 -5.119 1.00 0.00 C ATOM 906 CD LYS A 104 7.539 6.434 -6.523 1.00 0.00 C ATOM 907 CE LYS A 104 8.710 5.497 -6.860 1.00 0.00 C ATOM 908 NZ LYS A 104 8.593 4.931 -8.235 1.00 0.00 N ATOM 0 H LYS A 104 5.202 7.768 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 104 5.289 6.743 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.778 8.909 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.114 8.625 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.755 7.408 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.647 6.220 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.598 5.887 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.478 7.235 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.649 6.043 -6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.744 4.684 -6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.402 4.305 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.709 4.388 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.586 5.705 -8.930 1.00 0.00 H new ATOM 922 N ALA A 105 4.070 9.823 -4.193 1.00 0.00 N ATOM 923 CA ALA A 105 3.251 10.799 -3.467 1.00 0.00 C ATOM 924 C ALA A 105 1.915 10.194 -3.028 1.00 0.00 C ATOM 925 O ALA A 105 1.473 10.424 -1.903 1.00 0.00 O ATOM 926 CB ALA A 105 3.075 12.055 -4.334 1.00 0.00 C ATOM 0 H ALA A 105 4.237 10.075 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 105 3.761 11.088 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.467 12.784 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.052 12.487 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.581 11.786 -5.268 1.00 0.00 H new ATOM 932 N ILE A 106 1.308 9.349 -3.869 1.00 0.00 N ATOM 933 CA ILE A 106 0.047 8.671 -3.513 1.00 0.00 C ATOM 934 C ILE A 106 0.282 7.673 -2.380 1.00 0.00 C ATOM 935 O ILE A 106 -0.457 7.692 -1.403 1.00 0.00 O ATOM 936 CB ILE A 106 -0.628 8.043 -4.756 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.411 9.118 -5.534 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.626 6.923 -4.398 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.552 10.241 -6.099 1.00 0.00 C ATOM 0 H ILE A 106 1.663 9.116 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.660 9.411 -3.139 1.00 0.00 H new ATOM 0 HB ILE A 106 0.180 7.619 -5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.945 8.638 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.163 9.550 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.066 6.522 -5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.104 6.127 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.414 7.327 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.185 10.951 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.038 10.751 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.184 9.825 -6.788 1.00 0.00 H new ATOM 951 N PHE A 107 1.335 6.860 -2.456 1.00 0.00 N ATOM 952 CA PHE A 107 1.626 5.864 -1.412 1.00 0.00 C ATOM 953 C PHE A 107 2.046 6.503 -0.074 1.00 0.00 C ATOM 954 O PHE A 107 1.737 5.960 0.987 1.00 0.00 O ATOM 955 CB PHE A 107 2.689 4.866 -1.886 1.00 0.00 C ATOM 956 CG PHE A 107 2.422 4.153 -3.199 1.00 0.00 C ATOM 957 CD1 PHE A 107 1.108 3.850 -3.606 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.507 3.734 -3.994 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.880 3.154 -4.798 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.279 3.028 -5.188 1.00 0.00 C ATOM 961 CZ PHE A 107 1.962 2.737 -5.590 1.00 0.00 C ATOM 0 H PHE A 107 2.003 6.867 -3.227 1.00 0.00 H new ATOM 0 HA PHE A 107 0.694 5.330 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.637 5.396 -1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.817 4.112 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.272 4.157 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.518 3.956 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.131 2.937 -5.110 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.113 2.709 -5.796 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.784 2.194 -6.506 1.00 0.00 H new ATOM 971 N ARG A 108 2.711 7.671 -0.104 1.00 0.00 N ATOM 972 CA ARG A 108 3.067 8.455 1.093 1.00 0.00 C ATOM 973 C ARG A 108 1.854 9.135 1.742 1.00 0.00 C ATOM 974 O ARG A 108 1.746 9.131 2.969 1.00 0.00 O ATOM 975 CB ARG A 108 4.144 9.490 0.714 1.00 0.00 C ATOM 976 CG ARG A 108 5.547 8.890 0.518 1.00 0.00 C ATOM 977 CD ARG A 108 6.209 8.477 1.839 1.00 0.00 C ATOM 978 NE ARG A 108 7.581 7.977 1.614 1.00 0.00 N ATOM 979 CZ ARG A 108 8.453 7.617 2.541 1.00 0.00 C ATOM 980 NH1 ARG A 108 8.173 7.663 3.813 1.00 0.00 N ATOM 981 NH2 ARG A 108 9.639 7.198 2.201 1.00 0.00 N ATOM 0 H ARG A 108 3.021 8.104 -0.974 1.00 0.00 H new ATOM 0 HA ARG A 108 3.460 7.767 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 108 3.843 9.992 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 108 4.191 10.252 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.477 8.020 -0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 108 6.181 9.618 0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.236 9.330 2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.612 7.704 2.322 1.00 0.00 H new ATOM 0 HE ARG A 108 7.887 7.902 0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.256 7.985 4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.871 7.377 4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 108 9.899 7.146 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 108 10.308 6.922 2.920 1.00 0.00 H new ATOM 995 N ARG A 109 0.927 9.681 0.941 1.00 0.00 N ATOM 996 CA ARG A 109 -0.327 10.298 1.434 1.00 0.00 C ATOM 997 C ARG A 109 -1.358 9.260 1.899 1.00 0.00 C ATOM 998 O ARG A 109 -2.051 9.485 2.890 1.00 0.00 O ATOM 999 CB ARG A 109 -0.929 11.194 0.338 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.124 12.489 0.149 1.00 0.00 C ATOM 1001 CD ARG A 109 -0.663 13.290 -1.041 1.00 0.00 C ATOM 1002 NE ARG A 109 0.032 14.588 -1.173 1.00 0.00 N ATOM 1003 CZ ARG A 109 -0.267 15.731 -0.576 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -1.268 15.848 0.247 1.00 0.00 N ATOM 1005 NH2 ARG A 109 0.451 16.793 -0.800 1.00 0.00 N ATOM 0 H ARG A 109 1.021 9.710 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.072 10.898 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.960 10.645 -0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.959 11.441 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.178 13.093 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.927 12.250 -0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.538 12.713 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.732 13.459 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 109 0.838 14.605 -1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.856 15.040 0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -1.465 16.747 0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.246 16.746 -1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 109 0.218 17.672 -0.339 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.435 8.130 1.194 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.467 7.100 1.334 1.00 0.00 C ATOM 1021 C TYR A 110 -1.816 5.696 1.401 1.00 0.00 C ATOM 1022 O TYR A 110 -1.620 5.045 0.370 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.459 7.248 0.168 1.00 0.00 C ATOM 1024 CG TYR A 110 -4.015 8.646 -0.028 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.903 9.189 0.917 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.636 9.407 -1.150 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.434 10.480 0.730 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.164 10.700 -1.344 1.00 0.00 C ATOM 1029 CZ TYR A 110 -5.071 11.237 -0.403 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.593 12.484 -0.576 1.00 0.00 O ATOM 0 H TYR A 110 -0.748 7.897 0.477 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.019 7.223 2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.964 6.938 -0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.291 6.562 0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.179 8.614 1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.938 8.999 -1.865 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -6.120 10.891 1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.876 11.278 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.242 12.873 -1.404 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.447 5.211 2.603 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.582 4.035 2.768 1.00 0.00 C ATOM 1042 C PRO A 111 -1.233 2.695 2.382 1.00 0.00 C ATOM 1043 O PRO A 111 -0.531 1.691 2.267 1.00 0.00 O ATOM 1044 CB PRO A 111 -0.145 4.063 4.239 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.297 4.779 4.939 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.718 5.817 3.902 1.00 0.00 C ATOM 0 HA PRO A 111 0.260 4.095 2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.002 3.057 4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.797 4.596 4.368 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -2.111 4.096 5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.979 5.243 5.872 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.774 6.067 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.158 6.744 4.026 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.550 2.665 2.146 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.281 1.474 1.692 1.00 0.00 C ATOM 1056 C HIS A 112 -3.216 1.234 0.168 1.00 0.00 C ATOM 1057 O HIS A 112 -3.682 0.188 -0.288 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.722 1.544 2.218 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.570 2.621 1.589 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.381 3.999 1.737 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.602 2.401 0.724 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.318 4.572 0.963 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.072 3.642 0.360 1.00 0.00 N ATOM 0 H HIS A 112 -3.149 3.482 2.267 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.783 0.599 2.111 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.202 0.579 2.053 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.694 1.706 3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -6.975 1.444 0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.446 5.638 0.843 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.860 3.823 -0.262 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.642 2.160 -0.622 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.528 2.006 -2.087 1.00 0.00 C ATOM 1073 C LEU A 113 -1.290 1.189 -2.519 1.00 0.00 C ATOM 1074 O LEU A 113 -1.373 0.471 -3.522 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.575 3.379 -2.802 1.00 0.00 C ATOM 1076 CG LEU A 113 -3.962 4.021 -3.010 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -4.912 3.172 -3.850 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.670 4.275 -1.698 1.00 0.00 C ATOM 0 H LEU A 113 -2.246 3.031 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.397 1.427 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.962 4.077 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.105 3.267 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.741 4.952 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.867 3.688 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.479 3.010 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.070 2.211 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.643 4.728 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.807 3.331 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.071 4.949 -1.086 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.170 1.264 -1.777 1.00 0.00 N ATOM 1091 CA ARG A 114 0.996 0.371 -1.953 1.00 0.00 C ATOM 1092 C ARG A 114 0.713 -1.082 -1.534 1.00 0.00 C ATOM 1093 O ARG A 114 -0.005 -1.316 -0.531 1.00 0.00 O ATOM 1094 CB ARG A 114 2.256 0.929 -1.265 1.00 0.00 C ATOM 1095 CG ARG A 114 2.077 1.341 0.207 1.00 0.00 C ATOM 1096 CD ARG A 114 3.424 1.725 0.833 1.00 0.00 C ATOM 1097 NE ARG A 114 3.263 2.292 2.187 1.00 0.00 N ATOM 1098 CZ ARG A 114 3.125 1.634 3.324 1.00 0.00 C ATOM 1099 NH1 ARG A 114 3.051 0.335 3.378 1.00 0.00 N ATOM 1100 NH2 ARG A 114 3.064 2.281 4.451 1.00 0.00 N ATOM 1101 OXT ARG A 114 1.227 -2.001 -2.217 1.00 0.00 O ATOM 0 H ARG A 114 -0.045 1.950 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 114 1.193 0.343 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.043 0.177 -1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.603 1.796 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.387 2.183 0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.631 0.519 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.065 0.845 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.927 2.450 0.194 1.00 0.00 H new ATOM 0 HE ARG A 114 3.258 3.310 2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.099 -0.215 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 114 2.945 -0.133 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.123 3.299 4.458 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.957 1.770 5.327 1.00 0.00 H new