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= -0.352 K(o=-0.35,f=-1.5) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.754 K(o=0.75,f=-0.0049) 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 -167:sc= -0.0547 (180deg=-0.0891) 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 30:sc= 0.547 USER MOD Single : A 112 HIS : no HD1:sc= -0.295 K(o=-0.3,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 218 N ALA A 61 -13.497 11.495 -8.618 1.00 0.00 N ATOM 219 CA ALA A 61 -12.796 10.584 -7.712 1.00 0.00 C ATOM 220 C ALA A 61 -13.705 9.986 -6.619 1.00 0.00 C ATOM 221 O ALA A 61 -14.588 10.669 -6.091 1.00 0.00 O ATOM 222 CB ALA A 61 -11.628 11.336 -7.072 1.00 0.00 C ATOM 0 HA ALA A 61 -12.442 9.739 -8.303 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.095 10.670 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.948 11.682 -7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.008 12.193 -6.516 1.00 0.00 H new ATOM 228 N ALA A 62 -13.443 8.731 -6.243 1.00 0.00 N ATOM 229 CA ALA A 62 -14.191 7.989 -5.229 1.00 0.00 C ATOM 230 C ALA A 62 -13.431 7.749 -3.914 1.00 0.00 C ATOM 231 O ALA A 62 -12.205 7.627 -3.891 1.00 0.00 O ATOM 232 CB ALA A 62 -14.692 6.674 -5.842 1.00 0.00 C ATOM 0 H ALA A 62 -12.681 8.188 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.033 8.615 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.251 6.113 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.340 6.892 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.841 6.082 -6.178 1.00 0.00 H new ATOM 238 N LEU A 63 -14.189 7.646 -2.817 1.00 0.00 N ATOM 239 CA LEU A 63 -13.693 7.432 -1.452 1.00 0.00 C ATOM 240 C LEU A 63 -14.298 6.171 -0.811 1.00 0.00 C ATOM 241 O LEU A 63 -15.457 5.827 -1.055 1.00 0.00 O ATOM 242 CB LEU A 63 -14.007 8.660 -0.572 1.00 0.00 C ATOM 243 CG LEU A 63 -13.447 10.010 -1.054 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.890 11.118 -0.098 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.922 10.013 -1.102 1.00 0.00 C ATOM 0 H LEU A 63 -15.206 7.712 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.614 7.291 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.090 8.751 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.623 8.469 0.430 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.831 10.177 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.493 12.074 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.979 11.165 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.514 10.906 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.571 10.985 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.526 9.817 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.578 9.238 -1.787 1.00 0.00 H new ATOM 257 N HIS A 64 -13.530 5.530 0.071 1.00 0.00 N ATOM 258 CA HIS A 64 -14.040 4.552 1.042 1.00 0.00 C ATOM 259 C HIS A 64 -14.901 5.251 2.106 1.00 0.00 C ATOM 260 O HIS A 64 -14.559 6.346 2.558 1.00 0.00 O ATOM 261 CB HIS A 64 -12.857 3.842 1.710 1.00 0.00 C ATOM 262 CG HIS A 64 -12.092 2.893 0.824 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.584 1.689 0.318 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.773 3.013 0.488 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.549 1.113 -0.315 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.451 1.883 -0.231 1.00 0.00 N ATOM 0 H HIS A 64 -12.522 5.675 0.135 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.661 3.822 0.523 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.167 4.597 2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.227 3.289 2.573 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.114 3.831 0.737 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.593 0.161 -0.822 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.537 1.668 -0.630 1.00 0.00 H new ATOM 274 N ALA A 65 -15.997 4.617 2.533 1.00 0.00 N ATOM 275 CA ALA A 65 -16.996 5.231 3.422 1.00 0.00 C ATOM 276 C ALA A 65 -16.958 4.735 4.884 1.00 0.00 C ATOM 277 O ALA A 65 -17.543 5.378 5.758 1.00 0.00 O ATOM 278 CB ALA A 65 -18.377 5.005 2.789 1.00 0.00 C ATOM 0 H ALA A 65 -16.220 3.657 2.272 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.762 6.292 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.145 5.448 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.406 5.471 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.561 3.935 2.690 1.00 0.00 H new ATOM 284 N GLU A 66 -16.295 3.607 5.168 1.00 0.00 N ATOM 285 CA GLU A 66 -16.331 2.916 6.472 1.00 0.00 C ATOM 286 C GLU A 66 -14.952 2.386 6.916 1.00 0.00 C ATOM 287 O GLU A 66 -14.053 2.177 6.096 1.00 0.00 O ATOM 288 CB GLU A 66 -17.341 1.750 6.423 1.00 0.00 C ATOM 289 CG GLU A 66 -18.793 2.204 6.219 1.00 0.00 C ATOM 290 CD GLU A 66 -19.762 1.011 6.316 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.045 0.362 5.279 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.256 0.711 7.432 1.00 0.00 O ATOM 0 H GLU A 66 -15.703 3.135 4.484 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.641 3.657 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.064 1.074 5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.273 1.182 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.053 2.951 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.895 2.682 5.245 1.00 0.00 H new ATOM 299 N GLY A 67 -14.792 2.144 8.224 1.00 0.00 N ATOM 300 CA GLY A 67 -13.571 1.582 8.821 1.00 0.00 C ATOM 301 C GLY A 67 -12.359 2.537 8.814 1.00 0.00 C ATOM 302 O GLY A 67 -12.523 3.741 8.589 1.00 0.00 O ATOM 0 H GLY A 67 -15.521 2.337 8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.784 1.293 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.304 0.672 8.283 1.00 0.00 H new ATOM 306 N PRO A 68 -11.126 2.027 9.020 1.00 0.00 N ATOM 307 CA PRO A 68 -9.899 2.843 9.033 1.00 0.00 C ATOM 308 C PRO A 68 -9.644 3.610 7.724 1.00 0.00 C ATOM 309 O PRO A 68 -8.971 4.643 7.722 1.00 0.00 O ATOM 310 CB PRO A 68 -8.757 1.856 9.305 1.00 0.00 C ATOM 311 CG PRO A 68 -9.321 0.491 8.912 1.00 0.00 C ATOM 312 CD PRO A 68 -10.800 0.624 9.249 1.00 0.00 C ATOM 0 HA PRO A 68 -9.985 3.620 9.792 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.872 2.103 8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.459 1.874 10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.165 0.279 7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.850 -0.317 9.472 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.406 -0.028 8.620 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.994 0.339 10.283 1.00 0.00 H new ATOM 320 N LEU A 69 -10.197 3.114 6.611 1.00 0.00 N ATOM 321 CA LEU A 69 -10.096 3.699 5.273 1.00 0.00 C ATOM 322 C LEU A 69 -11.134 4.807 5.003 1.00 0.00 C ATOM 323 O LEU A 69 -11.040 5.472 3.970 1.00 0.00 O ATOM 324 CB LEU A 69 -10.158 2.538 4.255 1.00 0.00 C ATOM 325 CG LEU A 69 -8.790 2.059 3.732 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.777 1.778 4.843 1.00 0.00 C ATOM 327 CD2 LEU A 69 -8.944 0.760 2.941 1.00 0.00 C ATOM 0 H LEU A 69 -10.750 2.257 6.621 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.146 4.224 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.669 1.694 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.766 2.851 3.406 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.421 2.876 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.837 1.445 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.606 2.688 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.165 1.001 5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.968 0.436 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.366 -0.011 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.608 0.927 2.093 1.00 0.00 H new ATOM 339 N ALA A 70 -12.096 5.048 5.903 1.00 0.00 N ATOM 340 CA ALA A 70 -13.128 6.071 5.714 1.00 0.00 C ATOM 341 C ALA A 70 -12.519 7.452 5.381 1.00 0.00 C ATOM 342 O ALA A 70 -11.676 7.972 6.118 1.00 0.00 O ATOM 343 CB ALA A 70 -14.012 6.147 6.963 1.00 0.00 C ATOM 0 H ALA A 70 -12.179 4.538 6.782 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.740 5.784 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.779 6.908 6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.487 5.181 7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.400 6.406 7.827 1.00 0.00 H new ATOM 349 N GLY A 71 -12.960 8.042 4.265 1.00 0.00 N ATOM 350 CA GLY A 71 -12.469 9.328 3.757 1.00 0.00 C ATOM 351 C GLY A 71 -11.284 9.262 2.789 1.00 0.00 C ATOM 352 O GLY A 71 -10.841 10.315 2.329 1.00 0.00 O ATOM 0 H GLY A 71 -13.684 7.630 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.293 9.836 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.183 9.946 4.608 1.00 0.00 H new ATOM 356 N LEU A 72 -10.761 8.071 2.481 1.00 0.00 N ATOM 357 CA LEU A 72 -9.552 7.891 1.665 1.00 0.00 C ATOM 358 C LEU A 72 -9.879 7.343 0.251 1.00 0.00 C ATOM 359 O LEU A 72 -10.891 6.658 0.099 1.00 0.00 O ATOM 360 CB LEU A 72 -8.590 6.973 2.438 1.00 0.00 C ATOM 361 CG LEU A 72 -8.249 7.362 3.890 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.142 6.436 4.398 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.765 8.806 4.035 1.00 0.00 C ATOM 0 H LEU A 72 -11.170 7.191 2.795 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.076 8.857 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.018 5.971 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.657 6.915 1.877 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.168 7.265 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.890 6.700 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.487 5.403 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.259 6.545 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.543 9.012 5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.864 8.950 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.542 9.487 3.688 1.00 0.00 H new ATOM 375 N PRO A 73 -9.051 7.610 -0.787 1.00 0.00 N ATOM 376 CA PRO A 73 -9.256 7.123 -2.164 1.00 0.00 C ATOM 377 C PRO A 73 -9.403 5.600 -2.258 1.00 0.00 C ATOM 378 O PRO A 73 -8.700 4.861 -1.566 1.00 0.00 O ATOM 379 CB PRO A 73 -8.031 7.590 -2.963 1.00 0.00 C ATOM 380 CG PRO A 73 -6.970 7.825 -1.891 1.00 0.00 C ATOM 381 CD PRO A 73 -7.795 8.344 -0.723 1.00 0.00 C ATOM 0 HA PRO A 73 -10.192 7.523 -2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.712 6.837 -3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.242 8.500 -3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.439 6.908 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.221 8.549 -2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.286 8.172 0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.962 9.418 -0.805 1.00 0.00 H new ATOM 389 N VAL A 74 -10.264 5.118 -3.158 1.00 0.00 N ATOM 390 CA VAL A 74 -10.434 3.670 -3.388 1.00 0.00 C ATOM 391 C VAL A 74 -9.293 3.102 -4.245 1.00 0.00 C ATOM 392 O VAL A 74 -8.802 2.005 -3.968 1.00 0.00 O ATOM 393 CB VAL A 74 -11.824 3.339 -3.975 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.037 1.828 -4.126 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.942 3.862 -3.066 1.00 0.00 C ATOM 0 H VAL A 74 -10.858 5.706 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.382 3.177 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.859 3.820 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.027 1.640 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.279 1.419 -4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.957 1.350 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.910 3.616 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.858 3.399 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.853 4.944 -2.966 1.00 0.00 H new ATOM 405 N THR A 75 -8.822 3.858 -5.241 1.00 0.00 N ATOM 406 CA THR A 75 -7.686 3.507 -6.117 1.00 0.00 C ATOM 407 C THR A 75 -6.768 4.705 -6.405 1.00 0.00 C ATOM 408 O THR A 75 -7.127 5.861 -6.155 1.00 0.00 O ATOM 409 CB THR A 75 -8.178 2.794 -7.389 1.00 0.00 C ATOM 410 OG1 THR A 75 -7.100 2.490 -8.249 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.178 3.640 -8.154 1.00 0.00 C ATOM 0 H THR A 75 -9.231 4.763 -5.473 1.00 0.00 H new ATOM 0 HA THR A 75 -7.057 2.798 -5.579 1.00 0.00 H new ATOM 0 HB THR A 75 -8.662 1.874 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.438 2.036 -9.049 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.502 3.103 -9.045 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.041 3.846 -7.520 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.711 4.580 -8.447 1.00 0.00 H new ATOM 419 N ARG A 76 -5.564 4.454 -6.944 1.00 0.00 N ATOM 420 CA ARG A 76 -4.574 5.497 -7.282 1.00 0.00 C ATOM 421 C ARG A 76 -5.118 6.539 -8.260 1.00 0.00 C ATOM 422 O ARG A 76 -4.760 7.701 -8.140 1.00 0.00 O ATOM 423 CB ARG A 76 -3.245 4.868 -7.762 1.00 0.00 C ATOM 424 CG ARG A 76 -3.344 4.066 -9.071 1.00 0.00 C ATOM 425 CD ARG A 76 -1.961 3.587 -9.528 1.00 0.00 C ATOM 426 NE ARG A 76 -2.061 2.750 -10.740 1.00 0.00 N ATOM 427 CZ ARG A 76 -1.057 2.271 -11.455 1.00 0.00 C ATOM 428 NH1 ARG A 76 0.188 2.542 -11.186 1.00 0.00 N ATOM 429 NH2 ARG A 76 -1.291 1.499 -12.477 1.00 0.00 N ATOM 0 H ARG A 76 -5.244 3.510 -7.161 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.362 6.046 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.511 5.663 -7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.867 4.212 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.001 3.208 -8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.793 4.685 -9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.323 4.448 -9.729 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.487 3.018 -8.728 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.002 2.517 -11.059 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.420 3.146 -10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.932 2.151 -11.764 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.251 1.262 -12.728 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.514 1.131 -13.027 1.00 0.00 H new ATOM 443 N SER A 77 -6.054 6.172 -9.133 1.00 0.00 N ATOM 444 CA SER A 77 -6.769 7.119 -10.008 1.00 0.00 C ATOM 445 C SER A 77 -7.587 8.136 -9.204 1.00 0.00 C ATOM 446 O SER A 77 -7.505 9.337 -9.463 1.00 0.00 O ATOM 447 CB SER A 77 -7.677 6.357 -10.983 1.00 0.00 C ATOM 448 OG SER A 77 -6.911 5.409 -11.714 1.00 0.00 O ATOM 0 H SER A 77 -6.345 5.203 -9.259 1.00 0.00 H new ATOM 0 HA SER A 77 -6.020 7.675 -10.572 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.471 5.851 -10.434 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.158 7.055 -11.668 1.00 0.00 H new ATOM 0 HG SER A 77 -7.495 4.924 -12.334 1.00 0.00 H new ATOM 454 N ASP A 78 -8.294 7.691 -8.156 1.00 0.00 N ATOM 455 CA ASP A 78 -8.986 8.601 -7.235 1.00 0.00 C ATOM 456 C ASP A 78 -7.977 9.464 -6.489 1.00 0.00 C ATOM 457 O ASP A 78 -8.169 10.668 -6.395 1.00 0.00 O ATOM 458 CB ASP A 78 -9.848 7.858 -6.204 1.00 0.00 C ATOM 459 CG ASP A 78 -10.810 6.845 -6.815 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.558 7.216 -7.752 1.00 0.00 O ATOM 461 OD2 ASP A 78 -10.824 5.700 -6.317 1.00 0.00 O ATOM 0 H ASP A 78 -8.401 6.703 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.643 9.218 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.193 7.343 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.420 8.587 -5.631 1.00 0.00 H new ATOM 466 N ALA A 79 -6.868 8.886 -6.013 1.00 0.00 N ATOM 467 CA ALA A 79 -5.835 9.639 -5.299 1.00 0.00 C ATOM 468 C ALA A 79 -5.193 10.745 -6.168 1.00 0.00 C ATOM 469 O ALA A 79 -5.119 11.897 -5.743 1.00 0.00 O ATOM 470 CB ALA A 79 -4.804 8.639 -4.766 1.00 0.00 C ATOM 0 H ALA A 79 -6.664 7.891 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.289 10.175 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.021 9.175 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.293 7.937 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.363 8.092 -5.599 1.00 0.00 H new ATOM 476 N ARG A 80 -4.811 10.431 -7.415 1.00 0.00 N ATOM 477 CA ARG A 80 -4.312 11.397 -8.419 1.00 0.00 C ATOM 478 C ARG A 80 -5.329 12.513 -8.675 1.00 0.00 C ATOM 479 O ARG A 80 -4.967 13.686 -8.635 1.00 0.00 O ATOM 480 CB ARG A 80 -3.997 10.664 -9.736 1.00 0.00 C ATOM 481 CG ARG A 80 -2.757 9.749 -9.696 1.00 0.00 C ATOM 482 CD ARG A 80 -2.695 8.951 -11.006 1.00 0.00 C ATOM 483 NE ARG A 80 -1.610 7.951 -11.022 1.00 0.00 N ATOM 484 CZ ARG A 80 -1.315 7.143 -12.027 1.00 0.00 C ATOM 485 NH1 ARG A 80 -1.969 7.158 -13.156 1.00 0.00 N ATOM 486 NH2 ARG A 80 -0.346 6.291 -11.904 1.00 0.00 N ATOM 0 H ARG A 80 -4.839 9.474 -7.767 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.403 11.853 -8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.863 10.064 -10.016 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.856 11.406 -10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.852 10.344 -9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.813 9.073 -8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.648 8.447 -11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.558 9.641 -11.839 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.036 7.876 -10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.741 7.811 -13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.708 6.517 -13.905 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.186 6.245 -11.035 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.115 5.666 -12.676 1.00 0.00 H new ATOM 500 N VAL A 81 -6.605 12.169 -8.874 1.00 0.00 N ATOM 501 CA VAL A 81 -7.665 13.161 -9.142 1.00 0.00 C ATOM 502 C VAL A 81 -8.038 13.974 -7.891 1.00 0.00 C ATOM 503 O VAL A 81 -8.308 15.165 -8.017 1.00 0.00 O ATOM 504 CB VAL A 81 -8.883 12.497 -9.818 1.00 0.00 C ATOM 505 CG1 VAL A 81 -10.078 13.449 -9.985 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.510 12.003 -11.222 1.00 0.00 C ATOM 0 H VAL A 81 -6.936 11.204 -8.855 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.267 13.889 -9.849 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.170 11.678 -9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.900 12.920 -10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.399 13.805 -9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.783 14.298 -10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.379 11.537 -11.687 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.183 12.847 -11.830 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.703 11.274 -11.149 1.00 0.00 H new ATOM 516 N LEU A 82 -7.972 13.411 -6.678 1.00 0.00 N ATOM 517 CA LEU A 82 -8.132 14.174 -5.431 1.00 0.00 C ATOM 518 C LEU A 82 -6.987 15.183 -5.243 1.00 0.00 C ATOM 519 O LEU A 82 -7.254 16.339 -4.918 1.00 0.00 O ATOM 520 CB LEU A 82 -8.225 13.209 -4.235 1.00 0.00 C ATOM 521 CG LEU A 82 -9.553 12.428 -4.165 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.383 11.237 -3.230 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.716 13.284 -3.659 1.00 0.00 C ATOM 0 H LEU A 82 -7.806 12.415 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.058 14.746 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.400 12.499 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.099 13.776 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.793 12.107 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.319 10.680 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.595 10.586 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.114 11.591 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.625 12.683 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.490 13.649 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.862 14.131 -4.329 1.00 0.00 H new ATOM 535 N ILE A 83 -5.734 14.796 -5.524 1.00 0.00 N ATOM 536 CA ILE A 83 -4.593 15.729 -5.512 1.00 0.00 C ATOM 537 C ILE A 83 -4.754 16.800 -6.601 1.00 0.00 C ATOM 538 O ILE A 83 -4.492 17.974 -6.341 1.00 0.00 O ATOM 539 CB ILE A 83 -3.241 14.991 -5.652 1.00 0.00 C ATOM 540 CG1 ILE A 83 -2.994 14.021 -4.471 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.098 16.028 -5.709 1.00 0.00 C ATOM 542 CD1 ILE A 83 -1.969 12.922 -4.779 1.00 0.00 C ATOM 0 H ILE A 83 -5.482 13.837 -5.764 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.587 16.225 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.270 14.404 -6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.652 14.593 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.939 13.556 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.143 15.512 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.245 16.685 -6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.098 16.620 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.849 12.282 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.318 12.325 -5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.011 13.378 -5.030 1.00 0.00 H new ATOM 554 N PHE A 84 -5.228 16.435 -7.799 1.00 0.00 N ATOM 555 CA PHE A 84 -5.519 17.404 -8.858 1.00 0.00 C ATOM 556 C PHE A 84 -6.589 18.418 -8.436 1.00 0.00 C ATOM 557 O PHE A 84 -6.350 19.619 -8.528 1.00 0.00 O ATOM 558 CB PHE A 84 -5.963 16.695 -10.145 1.00 0.00 C ATOM 559 CG PHE A 84 -6.390 17.637 -11.262 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.634 18.792 -11.558 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.567 17.382 -11.991 1.00 0.00 C ATOM 562 CE1 PHE A 84 -6.027 19.658 -12.587 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.964 18.253 -13.023 1.00 0.00 C ATOM 564 CZ PHE A 84 -7.190 19.388 -13.325 1.00 0.00 C ATOM 0 H PHE A 84 -5.419 15.467 -8.058 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.593 17.947 -9.046 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.144 16.072 -10.504 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.792 16.028 -9.911 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.744 19.010 -10.986 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.167 16.515 -11.758 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.435 20.533 -12.812 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.864 18.050 -13.584 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.490 20.051 -14.123 1.00 0.00 H new ATOM 574 N ASN A 85 -7.744 17.960 -7.946 1.00 0.00 N ATOM 575 CA ASN A 85 -8.815 18.843 -7.497 1.00 0.00 C ATOM 576 C ASN A 85 -8.367 19.735 -6.318 1.00 0.00 C ATOM 577 O ASN A 85 -8.689 20.925 -6.302 1.00 0.00 O ATOM 578 CB ASN A 85 -10.036 17.985 -7.126 1.00 0.00 C ATOM 579 CG ASN A 85 -11.086 18.825 -6.419 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.160 18.848 -5.198 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.887 19.570 -7.139 1.00 0.00 N ATOM 0 H ASN A 85 -7.959 16.968 -7.851 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.082 19.523 -8.306 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.463 17.542 -8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.727 17.162 -6.482 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.573 20.170 -6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.824 19.550 -8.157 1.00 0.00 H new ATOM 588 N GLU A 86 -7.594 19.186 -5.369 1.00 0.00 N ATOM 589 CA GLU A 86 -6.982 19.973 -4.294 1.00 0.00 C ATOM 590 C GLU A 86 -6.062 21.059 -4.866 1.00 0.00 C ATOM 591 O GLU A 86 -6.288 22.233 -4.570 1.00 0.00 O ATOM 592 CB GLU A 86 -6.241 19.078 -3.282 1.00 0.00 C ATOM 593 CG GLU A 86 -5.568 19.936 -2.196 1.00 0.00 C ATOM 594 CD GLU A 86 -5.022 19.134 -1.001 1.00 0.00 C ATOM 595 OE1 GLU A 86 -4.516 17.999 -1.182 1.00 0.00 O ATOM 596 OE2 GLU A 86 -5.057 19.681 0.128 1.00 0.00 O ATOM 0 H GLU A 86 -7.378 18.190 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.785 20.469 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.942 18.382 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.490 18.479 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.749 20.495 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.289 20.667 -1.829 1.00 0.00 H new ATOM 603 N TRP A 87 -5.082 20.712 -5.714 1.00 0.00 N ATOM 604 CA TRP A 87 -4.255 21.704 -6.398 1.00 0.00 C ATOM 605 C TRP A 87 -5.110 22.751 -7.106 1.00 0.00 C ATOM 606 O TRP A 87 -4.841 23.936 -6.956 1.00 0.00 O ATOM 607 CB TRP A 87 -3.328 21.043 -7.426 1.00 0.00 C ATOM 608 CG TRP A 87 -2.635 22.037 -8.312 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.522 22.723 -7.975 1.00 0.00 C ATOM 610 CD2 TRP A 87 -3.054 22.570 -9.614 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.195 23.607 -8.984 1.00 0.00 N ATOM 612 CE2 TRP A 87 -2.102 23.558 -10.015 1.00 0.00 C ATOM 613 CE3 TRP A 87 -4.159 22.370 -10.479 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.217 24.280 -11.211 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.288 23.100 -11.677 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.322 24.052 -12.045 1.00 0.00 C ATOM 0 H TRP A 87 -4.846 19.746 -5.940 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.654 22.192 -5.631 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.580 20.447 -6.903 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.908 20.357 -8.043 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -0.971 22.599 -7.055 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.381 24.221 -8.966 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.915 21.645 -10.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.464 25.003 -11.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -5.138 22.926 -12.320 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.430 24.606 -12.966 1.00 0.00 H new ATOM 627 N GLU A 88 -6.142 22.347 -7.842 1.00 0.00 N ATOM 628 CA GLU A 88 -6.920 23.251 -8.684 1.00 0.00 C ATOM 629 C GLU A 88 -7.681 24.295 -7.855 1.00 0.00 C ATOM 630 O GLU A 88 -7.621 25.486 -8.157 1.00 0.00 O ATOM 631 CB GLU A 88 -7.867 22.431 -9.575 1.00 0.00 C ATOM 632 CG GLU A 88 -8.230 23.230 -10.826 1.00 0.00 C ATOM 633 CD GLU A 88 -9.354 22.599 -11.679 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.116 21.726 -11.194 1.00 0.00 O ATOM 635 OE2 GLU A 88 -9.499 23.017 -12.854 1.00 0.00 O ATOM 0 H GLU A 88 -6.463 21.379 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.234 23.811 -9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.391 21.492 -9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.771 22.176 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.536 24.232 -10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.339 23.340 -11.444 1.00 0.00 H new ATOM 642 N GLU A 89 -8.341 23.886 -6.770 1.00 0.00 N ATOM 643 CA GLU A 89 -9.069 24.804 -5.885 1.00 0.00 C ATOM 644 C GLU A 89 -8.113 25.702 -5.075 1.00 0.00 C ATOM 645 O GLU A 89 -8.309 26.923 -5.015 1.00 0.00 O ATOM 646 CB GLU A 89 -10.029 24.001 -4.991 1.00 0.00 C ATOM 647 CG GLU A 89 -11.184 23.400 -5.816 1.00 0.00 C ATOM 648 CD GLU A 89 -12.163 22.527 -4.998 1.00 0.00 C ATOM 649 OE1 GLU A 89 -12.228 22.648 -3.749 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.914 21.731 -5.618 1.00 0.00 O ATOM 0 H GLU A 89 -8.387 22.910 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.663 25.486 -6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.482 23.202 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.433 24.648 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.742 24.212 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.764 22.797 -6.622 1.00 0.00 H new ATOM 657 N ARG A 90 -7.015 25.137 -4.541 1.00 0.00 N ATOM 658 CA ARG A 90 -5.949 25.909 -3.870 1.00 0.00 C ATOM 659 C ARG A 90 -5.354 26.947 -4.821 1.00 0.00 C ATOM 660 O ARG A 90 -5.272 28.114 -4.468 1.00 0.00 O ATOM 661 CB ARG A 90 -4.810 24.990 -3.405 1.00 0.00 C ATOM 662 CG ARG A 90 -5.177 23.910 -2.384 1.00 0.00 C ATOM 663 CD ARG A 90 -4.926 24.287 -0.921 1.00 0.00 C ATOM 664 NE ARG A 90 -5.031 23.091 -0.059 1.00 0.00 N ATOM 665 CZ ARG A 90 -4.940 23.031 1.257 1.00 0.00 C ATOM 666 NH1 ARG A 90 -4.797 24.095 1.997 1.00 0.00 N ATOM 667 NH2 ARG A 90 -4.985 21.873 1.850 1.00 0.00 N ATOM 0 H ARG A 90 -6.840 24.132 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.404 26.400 -3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.387 24.500 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.024 25.611 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.232 23.662 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.610 23.008 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.937 24.733 -0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.649 25.038 -0.603 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.193 22.205 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.752 25.016 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.731 24.006 3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.090 21.021 1.299 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.915 21.817 2.866 1.00 0.00 H new ATOM 681 N LYS A 91 -4.996 26.531 -6.040 1.00 0.00 N ATOM 682 CA LYS A 91 -4.405 27.378 -7.097 1.00 0.00 C ATOM 683 C LYS A 91 -5.358 28.482 -7.563 1.00 0.00 C ATOM 684 O LYS A 91 -4.926 29.619 -7.734 1.00 0.00 O ATOM 685 CB LYS A 91 -3.870 26.503 -8.249 1.00 0.00 C ATOM 686 CG LYS A 91 -3.012 27.266 -9.275 1.00 0.00 C ATOM 687 CD LYS A 91 -3.802 27.764 -10.498 1.00 0.00 C ATOM 688 CE LYS A 91 -2.852 28.456 -11.486 1.00 0.00 C ATOM 689 NZ LYS A 91 -3.571 28.945 -12.698 1.00 0.00 N ATOM 0 H LYS A 91 -5.111 25.561 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.552 27.908 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.277 25.691 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.714 26.047 -8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.547 28.120 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.206 26.616 -9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.301 26.926 -10.985 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.580 28.458 -10.181 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.362 29.295 -10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.068 27.760 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.895 29.406 -13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.018 28.142 -13.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.302 29.629 -12.416 1.00 0.00 H new ATOM 703 N LYS A 92 -6.660 28.196 -7.704 1.00 0.00 N ATOM 704 CA LYS A 92 -7.681 29.225 -7.998 1.00 0.00 C ATOM 705 C LYS A 92 -7.852 30.229 -6.845 1.00 0.00 C ATOM 706 O LYS A 92 -8.137 31.398 -7.106 1.00 0.00 O ATOM 707 CB LYS A 92 -9.010 28.556 -8.399 1.00 0.00 C ATOM 708 CG LYS A 92 -8.921 27.952 -9.813 1.00 0.00 C ATOM 709 CD LYS A 92 -10.105 27.052 -10.214 1.00 0.00 C ATOM 710 CE LYS A 92 -11.388 27.811 -10.605 1.00 0.00 C ATOM 711 NZ LYS A 92 -12.326 28.021 -9.461 1.00 0.00 N ATOM 0 H LYS A 92 -7.039 27.253 -7.619 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.332 29.813 -8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.259 27.774 -7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.815 29.290 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.842 28.765 -10.534 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.002 27.371 -9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.800 26.426 -11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.333 26.384 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.115 28.780 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.903 27.258 -11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.167 28.536 -9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.614 27.099 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.851 28.574 -8.719 1.00 0.00 H new ATOM 725 N SER A 93 -7.622 29.813 -5.593 1.00 0.00 N ATOM 726 CA SER A 93 -7.581 30.723 -4.430 1.00 0.00 C ATOM 727 C SER A 93 -6.249 31.501 -4.280 1.00 0.00 C ATOM 728 O SER A 93 -6.255 32.684 -3.929 1.00 0.00 O ATOM 729 CB SER A 93 -7.878 29.924 -3.157 1.00 0.00 C ATOM 730 OG SER A 93 -8.237 30.796 -2.096 1.00 0.00 O ATOM 0 H SER A 93 -7.458 28.835 -5.353 1.00 0.00 H new ATOM 0 HA SER A 93 -8.344 31.483 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.686 29.217 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.002 29.339 -2.875 1.00 0.00 H new ATOM 0 HG SER A 93 -8.425 30.271 -1.290 1.00 0.00 H new ATOM 736 N ASP A 94 -5.109 30.868 -4.579 1.00 0.00 N ATOM 737 CA ASP A 94 -3.733 31.344 -4.379 1.00 0.00 C ATOM 738 C ASP A 94 -2.802 30.759 -5.479 1.00 0.00 C ATOM 739 O ASP A 94 -2.453 29.576 -5.433 1.00 0.00 O ATOM 740 CB ASP A 94 -3.227 30.921 -2.988 1.00 0.00 C ATOM 741 CG ASP A 94 -3.797 31.796 -1.860 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.438 32.997 -1.790 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.553 31.278 -1.002 1.00 0.00 O ATOM 0 H ASP A 94 -5.124 29.939 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.723 32.432 -4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.498 29.881 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.138 30.975 -2.970 1.00 0.00 H new ATOM 748 N PRO A 95 -2.373 31.557 -6.476 1.00 0.00 N ATOM 749 CA PRO A 95 -1.907 31.079 -7.791 1.00 0.00 C ATOM 750 C PRO A 95 -0.528 30.392 -7.842 1.00 0.00 C ATOM 751 O PRO A 95 -0.182 29.798 -8.867 1.00 0.00 O ATOM 752 CB PRO A 95 -1.937 32.322 -8.693 1.00 0.00 C ATOM 753 CG PRO A 95 -1.742 33.467 -7.702 1.00 0.00 C ATOM 754 CD PRO A 95 -2.575 32.993 -6.520 1.00 0.00 C ATOM 0 HA PRO A 95 -2.564 30.270 -8.110 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.146 32.297 -9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.882 32.409 -9.230 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.694 33.605 -7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.098 34.418 -8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.252 33.466 -5.593 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.628 33.240 -6.654 1.00 0.00 H new ATOM 762 N TRP A 96 0.272 30.467 -6.776 1.00 0.00 N ATOM 763 CA TRP A 96 1.661 29.976 -6.744 1.00 0.00 C ATOM 764 C TRP A 96 1.816 28.444 -6.805 1.00 0.00 C ATOM 765 O TRP A 96 2.900 27.959 -7.146 1.00 0.00 O ATOM 766 CB TRP A 96 2.329 30.476 -5.455 1.00 0.00 C ATOM 767 CG TRP A 96 1.874 29.765 -4.213 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.675 29.924 -3.614 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.551 28.705 -3.467 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.568 29.062 -2.539 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.694 28.275 -2.410 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.791 28.044 -3.598 1.00 0.00 C ATOM 773 CZ2 TRP A 96 2.053 27.255 -1.518 1.00 0.00 C ATOM 774 CZ3 TRP A 96 4.162 27.012 -2.712 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.297 26.619 -1.673 1.00 0.00 C ATOM 0 H TRP A 96 -0.028 30.878 -5.892 1.00 0.00 H new ATOM 0 HA TRP A 96 2.133 30.365 -7.646 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.409 30.363 -5.551 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.129 31.542 -5.345 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.088 30.621 -3.928 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.241 29.014 -1.919 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.466 28.333 -4.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.383 26.962 -0.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.116 26.520 -2.831 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.589 25.830 -0.996 1.00 0.00 H new ATOM 786 N LEU A 97 0.791 27.675 -6.412 1.00 0.00 N ATOM 787 CA LEU A 97 0.957 26.265 -6.053 1.00 0.00 C ATOM 788 C LEU A 97 1.345 25.373 -7.257 1.00 0.00 C ATOM 789 O LEU A 97 0.805 25.532 -8.354 1.00 0.00 O ATOM 790 CB LEU A 97 -0.339 25.776 -5.377 1.00 0.00 C ATOM 791 CG LEU A 97 -0.225 24.399 -4.697 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.725 24.399 -3.496 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.604 23.982 -4.208 1.00 0.00 C ATOM 0 H LEU A 97 -0.169 28.012 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 97 1.793 26.183 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.645 26.511 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.130 25.733 -6.126 1.00 0.00 H new ATOM 0 HG LEU A 97 0.177 23.707 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.762 23.400 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.724 24.690 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.367 25.107 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.539 23.008 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.975 24.718 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.287 23.921 -5.055 1.00 0.00 H new ATOM 805 N ARG A 98 2.229 24.386 -7.038 1.00 0.00 N ATOM 806 CA ARG A 98 2.592 23.336 -8.018 1.00 0.00 C ATOM 807 C ARG A 98 1.824 22.023 -7.768 1.00 0.00 C ATOM 808 O ARG A 98 1.506 21.692 -6.626 1.00 0.00 O ATOM 809 CB ARG A 98 4.116 23.096 -7.992 1.00 0.00 C ATOM 810 CG ARG A 98 4.935 24.043 -8.885 1.00 0.00 C ATOM 811 CD ARG A 98 4.834 25.535 -8.539 1.00 0.00 C ATOM 812 NE ARG A 98 5.802 26.315 -9.337 1.00 0.00 N ATOM 813 CZ ARG A 98 6.003 27.622 -9.305 1.00 0.00 C ATOM 814 NH1 ARG A 98 5.292 28.420 -8.561 1.00 0.00 N ATOM 815 NH2 ARG A 98 6.941 28.161 -10.031 1.00 0.00 N ATOM 0 H ARG A 98 2.727 24.289 -6.153 1.00 0.00 H new ATOM 0 HA ARG A 98 2.304 23.688 -9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.467 23.194 -6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.313 22.069 -8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.983 23.747 -8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.616 23.906 -9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.822 25.892 -8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.027 25.682 -7.476 1.00 0.00 H new ATOM 0 HE ARG A 98 6.382 25.785 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.548 28.042 -7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.479 29.423 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.524 27.575 -10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.092 29.169 -10.003 1.00 0.00 H new ATOM 829 N LEU A 99 1.534 21.280 -8.842 1.00 0.00 N ATOM 830 CA LEU A 99 0.813 19.996 -8.829 1.00 0.00 C ATOM 831 C LEU A 99 1.835 18.835 -8.895 1.00 0.00 C ATOM 832 O LEU A 99 2.567 18.714 -9.879 1.00 0.00 O ATOM 833 CB LEU A 99 -0.173 19.999 -10.021 1.00 0.00 C ATOM 834 CG LEU A 99 -1.325 18.966 -10.051 1.00 0.00 C ATOM 835 CD1 LEU A 99 -2.006 19.041 -11.421 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.880 17.530 -9.846 1.00 0.00 C ATOM 0 H LEU A 99 1.805 21.566 -9.783 1.00 0.00 H new ATOM 0 HA LEU A 99 0.241 19.858 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.621 20.991 -10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.412 19.865 -10.931 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.988 19.223 -9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.822 18.319 -11.462 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.401 20.045 -11.576 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.280 18.812 -12.201 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.748 16.872 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.180 17.250 -10.633 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.392 17.435 -8.876 1.00 0.00 H new ATOM 848 N ASP A 100 1.870 17.968 -7.875 1.00 0.00 N ATOM 849 CA ASP A 100 2.733 16.774 -7.826 1.00 0.00 C ATOM 850 C ASP A 100 1.949 15.536 -7.344 1.00 0.00 C ATOM 851 O ASP A 100 1.474 15.499 -6.207 1.00 0.00 O ATOM 852 CB ASP A 100 3.946 17.038 -6.919 1.00 0.00 C ATOM 853 CG ASP A 100 4.950 18.015 -7.556 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.729 17.584 -8.440 1.00 0.00 O ATOM 855 OD2 ASP A 100 4.994 19.202 -7.147 1.00 0.00 O ATOM 0 H ASP A 100 1.289 18.076 -7.043 1.00 0.00 H new ATOM 0 HA ASP A 100 3.087 16.566 -8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.603 17.442 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.448 16.095 -6.703 1.00 0.00 H new ATOM 860 N MET A 101 1.804 14.523 -8.211 1.00 0.00 N ATOM 861 CA MET A 101 1.049 13.284 -7.930 1.00 0.00 C ATOM 862 C MET A 101 1.592 12.054 -8.679 1.00 0.00 C ATOM 863 O MET A 101 0.859 11.296 -9.315 1.00 0.00 O ATOM 864 CB MET A 101 -0.470 13.513 -8.070 1.00 0.00 C ATOM 865 CG MET A 101 -0.983 14.274 -9.292 1.00 0.00 C ATOM 866 SD MET A 101 -1.474 13.314 -10.743 1.00 0.00 S ATOM 867 CE MET A 101 -2.467 14.598 -11.553 1.00 0.00 C ATOM 0 H MET A 101 2.214 14.538 -9.145 1.00 0.00 H new ATOM 0 HA MET A 101 1.214 13.028 -6.883 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.955 12.537 -8.060 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.808 14.046 -7.181 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.841 14.869 -8.979 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.206 14.973 -9.601 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.056 14.151 -12.354 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.135 15.056 -10.823 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.808 15.360 -11.969 1.00 0.00 H new ATOM 877 N SER A 102 2.904 11.835 -8.550 1.00 0.00 N ATOM 878 CA SER A 102 3.518 10.524 -8.814 1.00 0.00 C ATOM 879 C SER A 102 3.000 9.472 -7.822 1.00 0.00 C ATOM 880 O SER A 102 2.603 9.801 -6.700 1.00 0.00 O ATOM 881 CB SER A 102 5.047 10.648 -8.747 1.00 0.00 C ATOM 882 OG SER A 102 5.669 9.411 -9.059 1.00 0.00 O ATOM 0 H SER A 102 3.569 12.553 -8.262 1.00 0.00 H new ATOM 0 HA SER A 102 3.240 10.194 -9.815 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.385 11.415 -9.444 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.347 10.969 -7.749 1.00 0.00 H new ATOM 0 HG SER A 102 6.643 9.513 -9.012 1.00 0.00 H new ATOM 888 N ASP A 103 3.037 8.191 -8.184 1.00 0.00 N ATOM 889 CA ASP A 103 2.538 7.104 -7.329 1.00 0.00 C ATOM 890 C ASP A 103 3.225 7.081 -5.951 1.00 0.00 C ATOM 891 O ASP A 103 2.570 6.794 -4.952 1.00 0.00 O ATOM 892 CB ASP A 103 2.674 5.757 -8.055 1.00 0.00 C ATOM 893 CG ASP A 103 1.490 5.450 -8.989 1.00 0.00 C ATOM 894 OD1 ASP A 103 0.765 6.379 -9.415 1.00 0.00 O ATOM 895 OD2 ASP A 103 1.284 4.260 -9.326 1.00 0.00 O ATOM 0 H ASP A 103 3.413 7.872 -9.077 1.00 0.00 H new ATOM 0 HA ASP A 103 1.481 7.288 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.596 5.756 -8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.762 4.960 -7.316 1.00 0.00 H new ATOM 900 N LYS A 104 4.489 7.523 -5.856 1.00 0.00 N ATOM 901 CA LYS A 104 5.180 7.750 -4.572 1.00 0.00 C ATOM 902 C LYS A 104 4.471 8.796 -3.699 1.00 0.00 C ATOM 903 O LYS A 104 4.283 8.565 -2.507 1.00 0.00 O ATOM 904 CB LYS A 104 6.649 8.143 -4.819 1.00 0.00 C ATOM 905 CG LYS A 104 7.457 6.993 -5.446 1.00 0.00 C ATOM 906 CD LYS A 104 8.934 7.389 -5.615 1.00 0.00 C ATOM 907 CE LYS A 104 9.811 6.240 -6.138 1.00 0.00 C ATOM 908 NZ LYS A 104 9.535 5.904 -7.565 1.00 0.00 N ATOM 0 H LYS A 104 5.065 7.735 -6.671 1.00 0.00 H new ATOM 0 HA LYS A 104 5.152 6.812 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.686 9.012 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.109 8.437 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.384 6.106 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.033 6.732 -6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.001 8.232 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.325 7.729 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.861 6.513 -6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.647 5.355 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.154 5.124 -7.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.541 5.616 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.717 6.738 -8.159 1.00 0.00 H new ATOM 922 N ALA A 105 3.994 9.899 -4.286 1.00 0.00 N ATOM 923 CA ALA A 105 3.163 10.893 -3.597 1.00 0.00 C ATOM 924 C ALA A 105 1.816 10.308 -3.158 1.00 0.00 C ATOM 925 O ALA A 105 1.357 10.585 -2.049 1.00 0.00 O ATOM 926 CB ALA A 105 3.010 12.137 -4.479 1.00 0.00 C ATOM 0 H ALA A 105 4.176 10.129 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 105 3.663 11.193 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.392 12.874 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.993 12.564 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.536 11.859 -5.420 1.00 0.00 H new ATOM 932 N ILE A 106 1.223 9.431 -3.977 1.00 0.00 N ATOM 933 CA ILE A 106 -0.027 8.745 -3.602 1.00 0.00 C ATOM 934 C ILE A 106 0.208 7.817 -2.411 1.00 0.00 C ATOM 935 O ILE A 106 -0.530 7.905 -1.435 1.00 0.00 O ATOM 936 CB ILE A 106 -0.672 8.028 -4.812 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.423 9.038 -5.704 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.672 6.931 -4.394 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.522 10.042 -6.413 1.00 0.00 C ATOM 0 H ILE A 106 1.582 9.179 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.751 9.495 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 106 0.150 7.562 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.994 8.489 -6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.141 9.582 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.092 6.463 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.158 6.178 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.474 7.375 -3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.131 10.714 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.031 10.621 -5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.180 9.511 -7.056 1.00 0.00 H new ATOM 951 N PHE A 107 1.249 6.986 -2.434 1.00 0.00 N ATOM 952 CA PHE A 107 1.520 6.051 -1.330 1.00 0.00 C ATOM 953 C PHE A 107 1.916 6.780 -0.030 1.00 0.00 C ATOM 954 O PHE A 107 1.555 6.332 1.059 1.00 0.00 O ATOM 955 CB PHE A 107 2.577 5.006 -1.718 1.00 0.00 C ATOM 956 CG PHE A 107 2.353 4.285 -3.036 1.00 0.00 C ATOM 957 CD1 PHE A 107 1.056 3.901 -3.422 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.443 3.982 -3.875 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.842 3.248 -4.644 1.00 0.00 C ATOM 960 CE2 PHE A 107 3.231 3.315 -5.096 1.00 0.00 C ATOM 961 CZ PHE A 107 1.929 2.951 -5.484 1.00 0.00 C ATOM 0 H PHE A 107 1.920 6.937 -3.201 1.00 0.00 H new ATOM 0 HA PHE A 107 0.585 5.526 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.548 5.499 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.630 4.261 -0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.219 4.111 -2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.444 4.262 -3.581 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.159 2.973 -4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.069 3.082 -5.736 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.765 2.445 -6.424 1.00 0.00 H new ATOM 971 N ARG A 108 2.610 7.929 -0.124 1.00 0.00 N ATOM 972 CA ARG A 108 2.962 8.783 1.025 1.00 0.00 C ATOM 973 C ARG A 108 1.746 9.481 1.648 1.00 0.00 C ATOM 974 O ARG A 108 1.658 9.545 2.875 1.00 0.00 O ATOM 975 CB ARG A 108 4.029 9.804 0.591 1.00 0.00 C ATOM 976 CG ARG A 108 5.439 9.202 0.422 1.00 0.00 C ATOM 977 CD ARG A 108 6.135 8.844 1.745 1.00 0.00 C ATOM 978 NE ARG A 108 6.446 10.042 2.553 1.00 0.00 N ATOM 979 CZ ARG A 108 6.953 10.061 3.776 1.00 0.00 C ATOM 980 NH1 ARG A 108 7.240 8.968 4.427 1.00 0.00 N ATOM 981 NH2 ARG A 108 7.185 11.194 4.375 1.00 0.00 N ATOM 0 H ARG A 108 2.947 8.296 -1.014 1.00 0.00 H new ATOM 0 HA ARG A 108 3.366 8.140 1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 108 3.722 10.256 -0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 108 4.073 10.605 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 108 5.367 8.304 -0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 108 6.062 9.912 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 108 5.495 8.175 2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 108 7.056 8.301 1.534 1.00 0.00 H new ATOM 0 HE ARG A 108 6.250 10.947 2.125 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.075 8.059 3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 108 7.630 9.022 5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 108 6.976 12.073 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 108 7.576 11.202 5.317 1.00 0.00 H new ATOM 995 N ARG A 109 0.793 9.965 0.835 1.00 0.00 N ATOM 996 CA ARG A 109 -0.476 10.552 1.329 1.00 0.00 C ATOM 997 C ARG A 109 -1.470 9.494 1.828 1.00 0.00 C ATOM 998 O ARG A 109 -2.166 9.723 2.816 1.00 0.00 O ATOM 999 CB ARG A 109 -1.124 11.420 0.238 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.410 12.774 0.075 1.00 0.00 C ATOM 1001 CD ARG A 109 -0.971 13.610 -1.083 1.00 0.00 C ATOM 1002 NE ARG A 109 -2.408 13.932 -0.912 1.00 0.00 N ATOM 1003 CZ ARG A 109 -2.985 15.124 -0.949 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -2.341 16.244 -1.040 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -4.276 15.247 -0.928 1.00 0.00 N ATOM 0 H ARG A 109 0.874 9.963 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.221 11.174 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.104 10.884 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.172 11.591 0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.500 13.340 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.653 12.601 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.403 14.536 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.833 13.067 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.028 13.139 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.322 16.244 -1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.853 17.126 -1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.867 14.417 -0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -4.701 16.174 -0.957 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.522 8.348 1.149 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.547 7.312 1.297 1.00 0.00 C ATOM 1021 C TYR A 110 -1.887 5.916 1.407 1.00 0.00 C ATOM 1022 O TYR A 110 -1.723 5.218 0.399 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.519 7.431 0.110 1.00 0.00 C ATOM 1024 CG TYR A 110 -4.084 8.821 -0.122 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.980 9.378 0.808 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.715 9.555 -1.266 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.532 10.654 0.583 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.267 10.831 -1.497 1.00 0.00 C ATOM 1029 CZ TYR A 110 -5.180 11.383 -0.572 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.696 12.625 -0.788 1.00 0.00 O ATOM 0 H TYR A 110 -0.820 8.105 0.450 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.115 7.447 2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.004 7.109 -0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.347 6.740 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.246 8.826 1.697 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -3.007 9.139 -1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -6.226 11.075 1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.992 11.387 -2.381 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.875 13.059 0.072 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.477 5.487 2.617 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.597 4.325 2.802 1.00 0.00 C ATOM 1042 C PRO A 111 -1.242 2.973 2.461 1.00 0.00 C ATOM 1043 O PRO A 111 -0.523 1.994 2.244 1.00 0.00 O ATOM 1044 CB PRO A 111 -0.139 4.394 4.266 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.272 5.147 4.962 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.707 6.148 3.896 1.00 0.00 C ATOM 0 HA PRO A 111 0.237 4.376 2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.001 3.399 4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.811 4.919 4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -2.086 4.481 5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.931 5.644 5.870 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.757 6.416 4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.133 7.072 3.968 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.574 2.901 2.354 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.295 1.687 1.946 1.00 0.00 C ATOM 1056 C HIS A 112 -3.206 1.382 0.436 1.00 0.00 C ATOM 1057 O HIS A 112 -3.550 0.271 0.030 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.744 1.772 2.442 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.592 2.789 1.724 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.420 4.175 1.783 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.601 2.499 0.853 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.347 4.684 0.954 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.079 3.707 0.399 1.00 0.00 N ATOM 0 H HIS A 112 -3.189 3.691 2.550 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.802 0.836 2.416 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.208 0.791 2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.737 2.009 3.506 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -6.954 1.517 0.575 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.484 5.738 0.761 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.856 3.837 -0.248 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.717 2.321 -0.393 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.499 2.085 -1.833 1.00 0.00 C ATOM 1073 C LEU A 113 -1.210 1.269 -2.107 1.00 0.00 C ATOM 1074 O LEU A 113 -1.186 0.526 -3.090 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.528 3.414 -2.625 1.00 0.00 C ATOM 1076 CG LEU A 113 -3.909 4.026 -2.941 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -4.795 3.136 -3.805 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.707 4.330 -1.691 1.00 0.00 C ATOM 0 H LEU A 113 -2.463 3.260 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.327 1.472 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.954 4.152 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.007 3.254 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.659 4.938 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.748 3.635 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.301 2.946 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.971 2.190 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.670 4.759 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.868 3.410 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.158 5.041 -1.073 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.209 1.351 -1.204 1.00 0.00 N ATOM 1091 CA ARG A 114 0.938 0.431 -1.019 1.00 0.00 C ATOM 1092 C ARG A 114 1.842 0.190 -2.249 1.00 0.00 C ATOM 1093 O ARG A 114 2.946 0.785 -2.265 1.00 0.00 O ATOM 1094 CB ARG A 114 0.454 -0.872 -0.354 1.00 0.00 C ATOM 1095 CG ARG A 114 1.623 -1.758 0.110 1.00 0.00 C ATOM 1096 CD ARG A 114 1.110 -3.065 0.727 1.00 0.00 C ATOM 1097 NE ARG A 114 2.222 -3.939 1.152 1.00 0.00 N ATOM 1098 CZ ARG A 114 2.897 -4.800 0.413 1.00 0.00 C ATOM 1099 NH1 ARG A 114 2.647 -4.984 -0.853 1.00 0.00 N ATOM 1100 NH2 ARG A 114 3.855 -5.503 0.942 1.00 0.00 N ATOM 1101 OXT ARG A 114 1.536 -0.658 -3.122 1.00 0.00 O ATOM 0 H ARG A 114 -0.178 2.119 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 114 1.625 0.951 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -0.177 -0.629 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -0.164 -1.429 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.273 -1.981 -0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.225 -1.218 0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.476 -2.839 1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 114 0.490 -3.591 0.002 1.00 0.00 H new ATOM 0 HE ARG A 114 2.501 -3.869 2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.906 -4.452 -1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.193 -5.660 -1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.086 -5.390 1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.376 -6.168 0.370 1.00 0.00 H new