USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 ASN : amide:sc= -0.655 K(o=-0.66,f=-5.2!) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 19 MET CE :methyl 167:sc= 0 (180deg=-0.0912) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.237 (180deg=-0.243) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 44 CYS SG : rot 42:sc= -0.0661 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -93:sc= 0.578 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.37! C(o=-2.4!,f=-3.2!) USER MOD Single : A 74 GLN : amide:sc= -0.707 K(o=-0.71,f=-2.6!) USER MOD Single : A 75 TYR OH : rot 15:sc=-0.000366 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -131:sc= -0.1 USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= -0.0137 (180deg=-0.086) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.837 USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= -0.101 (180deg=-0.721) USER MOD Single : A 92 SER OG : rot 180:sc= -0.704 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 13.144 -7.746 3.443 1.00 0.00 N ATOM 229 CA MET A 19 13.049 -6.660 2.473 1.00 0.00 C ATOM 230 C MET A 19 13.151 -5.303 3.162 1.00 0.00 C ATOM 231 O MET A 19 13.865 -4.414 2.699 1.00 0.00 O ATOM 232 CB MET A 19 11.732 -6.755 1.699 1.00 0.00 C ATOM 233 CG MET A 19 11.833 -7.579 0.425 1.00 0.00 C ATOM 234 SD MET A 19 10.836 -6.906 -0.918 1.00 0.00 S ATOM 235 CE MET A 19 9.733 -8.280 -1.241 1.00 0.00 C ATOM 0 HA MET A 19 13.881 -6.755 1.775 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.971 -7.192 2.345 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.396 -5.750 1.446 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.875 -7.627 0.110 1.00 0.00 H new ATOM 0 HG3 MET A 19 11.515 -8.601 0.632 1.00 0.00 H new ATOM 0 HE1 MET A 19 8.913 -7.947 -1.877 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.282 -9.077 -1.743 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.332 -8.654 -0.299 1.00 0.00 H new ATOM 245 N LEU A 20 12.432 -5.152 4.269 1.00 0.00 N ATOM 246 CA LEU A 20 12.442 -3.902 5.021 1.00 0.00 C ATOM 247 C LEU A 20 13.838 -3.599 5.557 1.00 0.00 C ATOM 248 O LEU A 20 14.366 -2.507 5.357 1.00 0.00 O ATOM 249 CB LEU A 20 11.442 -3.972 6.177 1.00 0.00 C ATOM 250 CG LEU A 20 9.972 -3.873 5.769 1.00 0.00 C ATOM 251 CD1 LEU A 20 9.074 -3.898 6.995 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.731 -2.610 4.954 1.00 0.00 C ATOM 0 H LEU A 20 11.836 -5.878 4.665 1.00 0.00 H new ATOM 0 HA LEU A 20 12.151 -3.098 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.592 -4.910 6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.664 -3.167 6.878 1.00 0.00 H new ATOM 0 HG LEU A 20 9.727 -4.735 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.032 -3.827 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.227 -4.830 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.318 -3.056 7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.680 -2.554 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.993 -1.736 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.348 -2.634 4.055 1.00 0.00 H new ATOM 264 N THR A 21 14.430 -4.574 6.240 1.00 0.00 N ATOM 265 CA THR A 21 15.765 -4.410 6.806 1.00 0.00 C ATOM 266 C THR A 21 16.788 -4.123 5.713 1.00 0.00 C ATOM 267 O THR A 21 17.690 -3.303 5.892 1.00 0.00 O ATOM 268 CB THR A 21 16.170 -5.658 7.584 1.00 0.00 C ATOM 269 OG1 THR A 21 17.534 -5.597 7.959 1.00 0.00 O ATOM 270 CG2 THR A 21 15.965 -6.932 6.801 1.00 0.00 C ATOM 0 H THR A 21 14.007 -5.485 6.415 1.00 0.00 H new ATOM 0 HA THR A 21 15.740 -3.560 7.487 1.00 0.00 H new ATOM 0 HB THR A 21 15.524 -5.678 8.462 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.773 -6.406 8.458 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.271 -7.785 7.407 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.912 -7.032 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.564 -6.900 5.891 1.00 0.00 H new ATOM 278 N SER A 22 16.646 -4.804 4.581 1.00 0.00 N ATOM 279 CA SER A 22 17.559 -4.624 3.458 1.00 0.00 C ATOM 280 C SER A 22 17.295 -3.300 2.747 1.00 0.00 C ATOM 281 O SER A 22 18.156 -2.421 2.710 1.00 0.00 O ATOM 282 CB SER A 22 17.421 -5.783 2.470 1.00 0.00 C ATOM 283 OG SER A 22 18.053 -6.952 2.964 1.00 0.00 O ATOM 0 H SER A 22 15.906 -5.487 4.417 1.00 0.00 H new ATOM 0 HA SER A 22 18.576 -4.608 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.366 -5.986 2.287 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.862 -5.504 1.513 1.00 0.00 H new ATOM 0 HG SER A 22 17.949 -7.679 2.315 1.00 0.00 H new ATOM 289 N LEU A 23 16.098 -3.166 2.183 1.00 0.00 N ATOM 290 CA LEU A 23 15.720 -1.951 1.471 1.00 0.00 C ATOM 291 C LEU A 23 15.807 -0.733 2.386 1.00 0.00 C ATOM 292 O LEU A 23 16.079 0.379 1.932 1.00 0.00 O ATOM 293 CB LEU A 23 14.302 -2.082 0.912 1.00 0.00 C ATOM 294 CG LEU A 23 14.129 -3.154 -0.167 1.00 0.00 C ATOM 295 CD1 LEU A 23 12.654 -3.405 -0.437 1.00 0.00 C ATOM 296 CD2 LEU A 23 14.845 -2.741 -1.445 1.00 0.00 C ATOM 0 H LEU A 23 15.374 -3.884 2.206 1.00 0.00 H new ATOM 0 HA LEU A 23 16.418 -1.813 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.622 -2.303 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.000 -1.120 0.499 1.00 0.00 H new ATOM 0 HG LEU A 23 14.574 -4.082 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.550 -4.170 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.169 -3.743 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.184 -2.482 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.712 -3.514 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.428 -1.802 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.908 -2.611 -1.241 1.00 0.00 H new ATOM 308 N GLY A 24 15.574 -0.950 3.676 1.00 0.00 N ATOM 309 CA GLY A 24 15.631 0.139 4.634 1.00 0.00 C ATOM 310 C GLY A 24 14.390 1.007 4.600 1.00 0.00 C ATOM 311 O GLY A 24 14.457 2.185 4.249 1.00 0.00 O ATOM 0 H GLY A 24 15.347 -1.861 4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.757 -0.270 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.507 0.754 4.428 1.00 0.00 H new ATOM 315 N LEU A 25 13.253 0.424 4.966 1.00 0.00 N ATOM 316 CA LEU A 25 11.989 1.153 4.974 1.00 0.00 C ATOM 317 C LEU A 25 11.244 0.934 6.286 1.00 0.00 C ATOM 318 O LEU A 25 11.455 -0.066 6.973 1.00 0.00 O ATOM 319 CB LEU A 25 11.115 0.715 3.797 1.00 0.00 C ATOM 320 CG LEU A 25 11.622 1.145 2.420 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.220 0.129 1.362 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.090 2.525 2.066 1.00 0.00 C ATOM 0 H LEU A 25 13.181 -0.550 5.261 1.00 0.00 H new ATOM 0 HA LEU A 25 12.210 2.216 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.029 -0.371 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.112 1.117 3.940 1.00 0.00 H new ATOM 0 HG LEU A 25 12.710 1.193 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.589 0.452 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.649 -0.842 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.133 0.048 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.460 2.816 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.000 2.502 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.428 3.247 2.810 1.00 0.00 H new ATOM 334 N LYS A 26 10.369 1.874 6.628 1.00 0.00 N ATOM 335 CA LYS A 26 9.590 1.784 7.857 1.00 0.00 C ATOM 336 C LYS A 26 8.222 2.434 7.682 1.00 0.00 C ATOM 337 O LYS A 26 8.065 3.375 6.903 1.00 0.00 O ATOM 338 CB LYS A 26 10.341 2.451 9.011 1.00 0.00 C ATOM 339 CG LYS A 26 11.296 1.517 9.736 1.00 0.00 C ATOM 340 CD LYS A 26 10.674 0.960 11.007 1.00 0.00 C ATOM 341 CE LYS A 26 11.703 0.232 11.858 1.00 0.00 C ATOM 342 NZ LYS A 26 11.217 0.011 13.248 1.00 0.00 N ATOM 0 H LYS A 26 10.182 2.707 6.071 1.00 0.00 H new ATOM 0 HA LYS A 26 9.444 0.729 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.902 3.302 8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.618 2.844 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.574 0.696 9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.213 2.052 9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.233 1.773 11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.865 0.277 10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.940 -0.728 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.627 0.810 11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.947 -0.488 13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.015 0.928 13.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.349 -0.562 13.225 1.00 0.00 H new ATOM 356 N LEU A 27 7.234 1.928 8.412 1.00 0.00 N ATOM 357 CA LEU A 27 5.878 2.460 8.337 1.00 0.00 C ATOM 358 C LEU A 27 5.844 3.927 8.751 1.00 0.00 C ATOM 359 O LEU A 27 6.449 4.315 9.751 1.00 0.00 O ATOM 360 CB LEU A 27 4.939 1.644 9.228 1.00 0.00 C ATOM 361 CG LEU A 27 4.671 0.216 8.750 1.00 0.00 C ATOM 362 CD1 LEU A 27 4.429 -0.706 9.935 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.485 0.188 7.797 1.00 0.00 C ATOM 0 H LEU A 27 7.347 1.150 9.062 1.00 0.00 H new ATOM 0 HA LEU A 27 5.542 2.387 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.361 1.602 10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.987 2.170 9.304 1.00 0.00 H new ATOM 0 HG LEU A 27 5.551 -0.140 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.240 -1.718 9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.308 -0.708 10.580 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.565 -0.354 10.499 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.308 -0.835 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.598 0.563 8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.698 0.817 6.932 1.00 0.00 H new ATOM 375 N GLY A 28 5.133 4.739 7.975 1.00 0.00 N ATOM 376 CA GLY A 28 5.033 6.155 8.278 1.00 0.00 C ATOM 377 C GLY A 28 5.970 6.995 7.432 1.00 0.00 C ATOM 378 O GLY A 28 5.677 8.153 7.134 1.00 0.00 O ATOM 0 H GLY A 28 4.625 4.442 7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.007 6.487 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.258 6.315 9.332 1.00 0.00 H new ATOM 382 N ASP A 29 7.100 6.411 7.047 1.00 0.00 N ATOM 383 CA ASP A 29 8.083 7.112 6.231 1.00 0.00 C ATOM 384 C ASP A 29 7.575 7.298 4.806 1.00 0.00 C ATOM 385 O ASP A 29 6.539 6.752 4.429 1.00 0.00 O ATOM 386 CB ASP A 29 9.406 6.344 6.217 1.00 0.00 C ATOM 387 CG ASP A 29 10.292 6.696 7.397 1.00 0.00 C ATOM 388 OD1 ASP A 29 9.781 6.717 8.537 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.495 6.950 7.180 1.00 0.00 O ATOM 0 H ASP A 29 7.357 5.454 7.287 1.00 0.00 H new ATOM 0 HA ASP A 29 8.246 8.096 6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.202 5.273 6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.938 6.559 5.290 1.00 0.00 H new ATOM 394 N ARG A 30 8.313 8.072 4.016 1.00 0.00 N ATOM 395 CA ARG A 30 7.938 8.330 2.631 1.00 0.00 C ATOM 396 C ARG A 30 8.481 7.243 1.710 1.00 0.00 C ATOM 397 O ARG A 30 9.660 6.894 1.772 1.00 0.00 O ATOM 398 CB ARG A 30 8.458 9.699 2.186 1.00 0.00 C ATOM 399 CG ARG A 30 7.571 10.856 2.616 1.00 0.00 C ATOM 400 CD ARG A 30 6.640 11.291 1.496 1.00 0.00 C ATOM 401 NE ARG A 30 6.479 12.742 1.450 1.00 0.00 N ATOM 402 CZ ARG A 30 5.480 13.359 0.824 1.00 0.00 C ATOM 403 NH1 ARG A 30 4.549 12.654 0.191 1.00 0.00 N ATOM 404 NH2 ARG A 30 5.409 14.683 0.832 1.00 0.00 N ATOM 0 H ARG A 30 9.174 8.531 4.312 1.00 0.00 H new ATOM 0 HA ARG A 30 6.850 8.325 2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.458 9.848 2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.551 9.708 1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.983 10.561 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.192 11.698 2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.032 10.939 0.542 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.665 10.822 1.632 1.00 0.00 H new ATOM 0 HE ARG A 30 7.174 13.317 1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.598 11.635 0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.785 13.131 -0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.120 15.229 1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.643 15.156 0.352 1.00 0.00 H new ATOM 418 N VAL A 31 7.613 6.710 0.855 1.00 0.00 N ATOM 419 CA VAL A 31 8.005 5.662 -0.079 1.00 0.00 C ATOM 420 C VAL A 31 7.670 6.051 -1.514 1.00 0.00 C ATOM 421 O VAL A 31 6.937 7.011 -1.753 1.00 0.00 O ATOM 422 CB VAL A 31 7.314 4.326 0.252 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.798 3.791 1.590 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.801 4.493 0.252 1.00 0.00 C ATOM 0 H VAL A 31 6.634 6.987 0.790 1.00 0.00 H new ATOM 0 HA VAL A 31 9.084 5.539 0.020 1.00 0.00 H new ATOM 0 HB VAL A 31 7.577 3.602 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.299 2.847 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.875 3.631 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.568 4.512 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.330 3.539 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.517 5.233 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.472 4.827 -0.732 1.00 0.00 H new ATOM 434 N VAL A 32 8.212 5.300 -2.468 1.00 0.00 N ATOM 435 CA VAL A 32 7.971 5.567 -3.880 1.00 0.00 C ATOM 436 C VAL A 32 7.555 4.296 -4.616 1.00 0.00 C ATOM 437 O VAL A 32 8.249 3.281 -4.563 1.00 0.00 O ATOM 438 CB VAL A 32 9.222 6.161 -4.559 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.386 5.184 -4.490 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.919 6.541 -6.001 1.00 0.00 C ATOM 0 H VAL A 32 8.821 4.502 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 32 7.160 6.293 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 32 9.507 7.065 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.258 5.623 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.620 4.970 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.115 4.259 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.814 6.958 -6.463 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.605 5.655 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.121 7.283 -6.022 1.00 0.00 H new ATOM 450 N ILE A 33 6.419 4.361 -5.302 1.00 0.00 N ATOM 451 CA ILE A 33 5.911 3.216 -6.048 1.00 0.00 C ATOM 452 C ILE A 33 6.597 3.097 -7.405 1.00 0.00 C ATOM 453 O ILE A 33 6.449 3.966 -8.265 1.00 0.00 O ATOM 454 CB ILE A 33 4.388 3.316 -6.264 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.684 3.643 -4.946 1.00 0.00 C ATOM 456 CG2 ILE A 33 3.850 2.019 -6.850 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.227 4.011 -5.115 1.00 0.00 C ATOM 0 H ILE A 33 5.833 5.194 -5.357 1.00 0.00 H new ATOM 0 HA ILE A 33 6.129 2.329 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 33 4.189 4.122 -6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.758 2.783 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.205 4.468 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.773 2.105 -6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.332 1.825 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.058 1.197 -6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.792 4.230 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.146 4.890 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.692 3.179 -5.572 1.00 0.00 H new ATOM 469 N ALA A 34 7.348 2.017 -7.591 1.00 0.00 N ATOM 470 CA ALA A 34 8.057 1.784 -8.843 1.00 0.00 C ATOM 471 C ALA A 34 9.055 2.902 -9.126 1.00 0.00 C ATOM 472 O ALA A 34 9.351 3.206 -10.282 1.00 0.00 O ATOM 473 CB ALA A 34 7.068 1.653 -9.993 1.00 0.00 C ATOM 0 H ALA A 34 7.481 1.289 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 34 8.614 0.852 -8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.611 1.479 -10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.397 0.815 -9.803 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.486 2.571 -10.079 1.00 0.00 H new ATOM 479 N GLY A 35 9.572 3.510 -8.064 1.00 0.00 N ATOM 480 CA GLY A 35 10.532 4.588 -8.221 1.00 0.00 C ATOM 481 C GLY A 35 9.982 5.744 -9.031 1.00 0.00 C ATOM 482 O GLY A 35 10.735 6.466 -9.684 1.00 0.00 O ATOM 0 H GLY A 35 9.344 3.276 -7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.832 4.949 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.429 4.203 -8.706 1.00 0.00 H new ATOM 486 N GLN A 36 8.666 5.921 -8.991 1.00 0.00 N ATOM 487 CA GLN A 36 8.015 6.997 -9.727 1.00 0.00 C ATOM 488 C GLN A 36 7.013 7.733 -8.844 1.00 0.00 C ATOM 489 O GLN A 36 7.254 8.865 -8.423 1.00 0.00 O ATOM 490 CB GLN A 36 7.311 6.443 -10.968 1.00 0.00 C ATOM 491 CG GLN A 36 8.130 6.573 -12.242 1.00 0.00 C ATOM 492 CD GLN A 36 7.401 6.042 -13.460 1.00 0.00 C ATOM 493 OE1 GLN A 36 6.728 6.789 -14.170 1.00 0.00 O ATOM 494 NE2 GLN A 36 7.531 4.744 -13.708 1.00 0.00 N ATOM 0 H GLN A 36 8.029 5.332 -8.455 1.00 0.00 H new ATOM 0 HA GLN A 36 8.783 7.705 -10.040 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.076 5.392 -10.803 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.363 6.964 -11.101 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.382 7.621 -12.402 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.070 6.034 -12.122 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.099 4.162 -13.093 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.063 4.329 -14.514 1.00 0.00 H new ATOM 503 N LYS A 37 5.888 7.083 -8.567 1.00 0.00 N ATOM 504 CA LYS A 37 4.849 7.675 -7.733 1.00 0.00 C ATOM 505 C LYS A 37 5.313 7.791 -6.284 1.00 0.00 C ATOM 506 O LYS A 37 5.920 6.869 -5.741 1.00 0.00 O ATOM 507 CB LYS A 37 3.569 6.839 -7.804 1.00 0.00 C ATOM 508 CG LYS A 37 2.631 7.255 -8.926 1.00 0.00 C ATOM 509 CD LYS A 37 1.187 6.913 -8.598 1.00 0.00 C ATOM 510 CE LYS A 37 0.252 7.303 -9.732 1.00 0.00 C ATOM 511 NZ LYS A 37 -1.023 7.884 -9.227 1.00 0.00 N ATOM 0 H LYS A 37 5.672 6.146 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 37 4.643 8.676 -8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.837 5.791 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.041 6.916 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.722 8.327 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.923 6.757 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.100 5.844 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.888 7.428 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.749 8.026 -10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.035 6.426 -10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.750 7.823 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.338 7.355 -8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.873 8.881 -8.970 1.00 0.00 H new ATOM 525 N VAL A 38 5.022 8.930 -5.665 1.00 0.00 N ATOM 526 CA VAL A 38 5.409 9.167 -4.279 1.00 0.00 C ATOM 527 C VAL A 38 4.197 9.113 -3.355 1.00 0.00 C ATOM 528 O VAL A 38 3.198 9.793 -3.585 1.00 0.00 O ATOM 529 CB VAL A 38 6.108 10.530 -4.113 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.642 10.690 -2.699 1.00 0.00 C ATOM 531 CG2 VAL A 38 7.226 10.687 -5.134 1.00 0.00 C ATOM 0 H VAL A 38 4.520 9.703 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 38 6.108 8.376 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 38 5.373 11.316 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.132 11.659 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.817 10.628 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.361 9.898 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.707 11.656 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.961 9.894 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.811 10.623 -6.140 1.00 0.00 H new ATOM 541 N GLY A 39 4.293 8.299 -2.309 1.00 0.00 N ATOM 542 CA GLY A 39 3.198 8.172 -1.366 1.00 0.00 C ATOM 543 C GLY A 39 3.666 7.754 0.015 1.00 0.00 C ATOM 544 O GLY A 39 4.758 7.209 0.168 1.00 0.00 O ATOM 0 H GLY A 39 5.109 7.725 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.672 9.124 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.483 7.440 -1.741 1.00 0.00 H new ATOM 548 N THR A 40 2.836 8.010 1.020 1.00 0.00 N ATOM 549 CA THR A 40 3.171 7.657 2.395 1.00 0.00 C ATOM 550 C THR A 40 2.841 6.194 2.677 1.00 0.00 C ATOM 551 O THR A 40 1.715 5.748 2.462 1.00 0.00 O ATOM 552 CB THR A 40 2.419 8.559 3.375 1.00 0.00 C ATOM 553 OG1 THR A 40 2.023 9.764 2.744 1.00 0.00 O ATOM 554 CG2 THR A 40 3.232 8.926 4.596 1.00 0.00 C ATOM 0 H THR A 40 1.927 8.460 0.909 1.00 0.00 H new ATOM 0 HA THR A 40 4.243 7.802 2.529 1.00 0.00 H new ATOM 0 HB THR A 40 1.554 7.978 3.696 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.542 10.327 3.386 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.639 9.567 5.249 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.511 8.020 5.133 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.133 9.457 4.287 1.00 0.00 H new ATOM 562 N LEU A 41 3.833 5.452 3.157 1.00 0.00 N ATOM 563 CA LEU A 41 3.650 4.038 3.468 1.00 0.00 C ATOM 564 C LEU A 41 2.808 3.863 4.728 1.00 0.00 C ATOM 565 O LEU A 41 3.187 4.318 5.807 1.00 0.00 O ATOM 566 CB LEU A 41 5.006 3.354 3.647 1.00 0.00 C ATOM 567 CG LEU A 41 4.945 1.842 3.869 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.405 1.143 2.632 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.319 1.302 4.232 1.00 0.00 C ATOM 0 H LEU A 41 4.772 5.806 3.339 1.00 0.00 H new ATOM 0 HA LEU A 41 3.124 3.573 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.615 3.552 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.516 3.810 4.495 1.00 0.00 H new ATOM 0 HG LEU A 41 4.267 1.642 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.369 0.068 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.401 1.509 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.057 1.350 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.257 0.225 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.018 1.513 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.668 1.780 5.147 1.00 0.00 H new ATOM 581 N ARG A 42 1.665 3.202 4.581 1.00 0.00 N ATOM 582 CA ARG A 42 0.768 2.967 5.708 1.00 0.00 C ATOM 583 C ARG A 42 0.760 1.492 6.097 1.00 0.00 C ATOM 584 O ARG A 42 0.593 1.150 7.268 1.00 0.00 O ATOM 585 CB ARG A 42 -0.651 3.421 5.360 1.00 0.00 C ATOM 586 CG ARG A 42 -0.720 4.844 4.829 1.00 0.00 C ATOM 587 CD ARG A 42 -0.561 5.863 5.946 1.00 0.00 C ATOM 588 NE ARG A 42 -1.440 7.016 5.763 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.758 7.867 6.735 1.00 0.00 C ATOM 590 NH1 ARG A 42 -1.274 7.698 7.960 1.00 0.00 N ATOM 591 NH2 ARG A 42 -2.564 8.888 6.484 1.00 0.00 N ATOM 0 H ARG A 42 1.337 2.820 3.694 1.00 0.00 H new ATOM 0 HA ARG A 42 1.130 3.547 6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.068 2.743 4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.277 3.343 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.062 4.994 4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.674 5.000 4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.779 5.389 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.475 6.199 5.985 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.833 7.178 4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.655 6.912 8.160 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.521 8.354 8.701 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.941 9.022 5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.808 9.540 7.229 1.00 0.00 H new ATOM 605 N PHE A 43 0.942 0.623 5.109 1.00 0.00 N ATOM 606 CA PHE A 43 0.956 -0.815 5.348 1.00 0.00 C ATOM 607 C PHE A 43 1.963 -1.509 4.437 1.00 0.00 C ATOM 608 O PHE A 43 2.107 -1.150 3.268 1.00 0.00 O ATOM 609 CB PHE A 43 -0.440 -1.402 5.126 1.00 0.00 C ATOM 610 CG PHE A 43 -0.529 -2.870 5.436 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.729 -3.305 6.736 1.00 0.00 C ATOM 612 CD2 PHE A 43 -0.414 -3.812 4.428 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.813 -4.654 7.025 1.00 0.00 C ATOM 614 CE2 PHE A 43 -0.497 -5.163 4.710 1.00 0.00 C ATOM 615 CZ PHE A 43 -0.695 -5.585 6.010 1.00 0.00 C ATOM 0 H PHE A 43 1.082 0.890 4.134 1.00 0.00 H new ATOM 0 HA PHE A 43 1.254 -0.984 6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.155 -0.863 5.748 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.733 -1.239 4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.820 -2.582 7.533 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.258 -3.488 3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.971 -4.980 8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.407 -5.888 3.914 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.757 -6.640 6.233 1.00 0.00 H new ATOM 625 N CYS A 44 2.658 -2.504 4.980 1.00 0.00 N ATOM 626 CA CYS A 44 3.651 -3.248 4.215 1.00 0.00 C ATOM 627 C CYS A 44 3.567 -4.740 4.520 1.00 0.00 C ATOM 628 O CYS A 44 3.896 -5.179 5.623 1.00 0.00 O ATOM 629 CB CYS A 44 5.057 -2.731 4.527 1.00 0.00 C ATOM 630 SG CYS A 44 5.405 -2.555 6.293 1.00 0.00 S ATOM 0 H CYS A 44 2.551 -2.813 5.946 1.00 0.00 H new ATOM 0 HA CYS A 44 3.443 -3.100 3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.788 -3.411 4.090 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.192 -1.764 4.043 1.00 0.00 H new ATOM 0 HG CYS A 44 4.920 -3.576 6.935 1.00 0.00 H new ATOM 636 N GLY A 45 3.125 -5.516 3.536 1.00 0.00 N ATOM 637 CA GLY A 45 3.006 -6.950 3.719 1.00 0.00 C ATOM 638 C GLY A 45 2.379 -7.639 2.522 1.00 0.00 C ATOM 639 O GLY A 45 2.928 -7.603 1.420 1.00 0.00 O ATOM 0 H GLY A 45 2.847 -5.177 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.994 -7.373 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.405 -7.151 4.606 1.00 0.00 H new ATOM 643 N THR A 46 1.228 -8.265 2.737 1.00 0.00 N ATOM 644 CA THR A 46 0.526 -8.964 1.667 1.00 0.00 C ATOM 645 C THR A 46 -0.954 -8.596 1.655 1.00 0.00 C ATOM 646 O THR A 46 -1.481 -8.068 2.634 1.00 0.00 O ATOM 647 CB THR A 46 0.685 -10.477 1.828 1.00 0.00 C ATOM 648 OG1 THR A 46 0.342 -10.880 3.142 1.00 0.00 O ATOM 649 CG2 THR A 46 2.091 -10.964 1.551 1.00 0.00 C ATOM 0 H THR A 46 0.761 -8.303 3.643 1.00 0.00 H new ATOM 0 HA THR A 46 0.966 -8.658 0.718 1.00 0.00 H new ATOM 0 HB THR A 46 0.013 -10.918 1.091 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.448 -11.851 3.225 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.134 -12.045 1.683 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.368 -10.712 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.785 -10.486 2.243 1.00 0.00 H new ATOM 657 N THR A 47 -1.619 -8.879 0.540 1.00 0.00 N ATOM 658 CA THR A 47 -3.039 -8.579 0.399 1.00 0.00 C ATOM 659 C THR A 47 -3.846 -9.857 0.185 1.00 0.00 C ATOM 660 O THR A 47 -3.300 -10.960 0.222 1.00 0.00 O ATOM 661 CB THR A 47 -3.266 -7.619 -0.768 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.809 -8.187 -1.982 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.567 -6.288 -0.593 1.00 0.00 C ATOM 0 H THR A 47 -1.197 -9.316 -0.279 1.00 0.00 H new ATOM 0 HA THR A 47 -3.378 -8.106 1.321 1.00 0.00 H new ATOM 0 HB THR A 47 -4.342 -7.446 -0.793 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.885 -7.906 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.770 -5.654 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.935 -5.800 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.493 -6.450 -0.506 1.00 0.00 H new ATOM 671 N GLU A 48 -5.146 -9.700 -0.039 1.00 0.00 N ATOM 672 CA GLU A 48 -6.026 -10.842 -0.261 1.00 0.00 C ATOM 673 C GLU A 48 -6.813 -10.686 -1.559 1.00 0.00 C ATOM 674 O GLU A 48 -7.893 -11.256 -1.712 1.00 0.00 O ATOM 675 CB GLU A 48 -6.990 -11.004 0.917 1.00 0.00 C ATOM 676 CG GLU A 48 -6.293 -11.159 2.258 1.00 0.00 C ATOM 677 CD GLU A 48 -5.922 -12.598 2.560 1.00 0.00 C ATOM 678 OE1 GLU A 48 -6.831 -13.455 2.565 1.00 0.00 O ATOM 679 OE2 GLU A 48 -4.725 -12.866 2.791 1.00 0.00 O ATOM 0 H GLU A 48 -5.614 -8.794 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.405 -11.734 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.649 -10.137 0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.621 -11.876 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.392 -10.546 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.944 -10.782 3.047 1.00 0.00 H new ATOM 686 N PHE A 49 -6.266 -9.912 -2.491 1.00 0.00 N ATOM 687 CA PHE A 49 -6.921 -9.685 -3.775 1.00 0.00 C ATOM 688 C PHE A 49 -5.950 -9.915 -4.931 1.00 0.00 C ATOM 689 O PHE A 49 -6.303 -10.532 -5.936 1.00 0.00 O ATOM 690 CB PHE A 49 -7.490 -8.266 -3.841 1.00 0.00 C ATOM 691 CG PHE A 49 -6.458 -7.190 -3.657 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.685 -6.761 -4.725 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.262 -6.606 -2.416 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.736 -5.771 -4.558 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.314 -5.614 -2.243 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.551 -5.196 -3.316 1.00 0.00 C ATOM 0 H PHE A 49 -5.373 -9.432 -2.382 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.740 -10.398 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.980 -8.126 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.257 -8.156 -3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.826 -7.206 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.856 -6.929 -1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.139 -5.447 -5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.170 -5.167 -1.270 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.811 -4.421 -3.184 1.00 0.00 H new ATOM 706 N ALA A 50 -4.728 -9.415 -4.781 1.00 0.00 N ATOM 707 CA ALA A 50 -3.709 -9.567 -5.812 1.00 0.00 C ATOM 708 C ALA A 50 -2.767 -10.724 -5.488 1.00 0.00 C ATOM 709 O ALA A 50 -2.140 -11.294 -6.382 1.00 0.00 O ATOM 710 CB ALA A 50 -2.923 -8.274 -5.970 1.00 0.00 C ATOM 0 H ALA A 50 -4.420 -8.901 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.210 -9.794 -6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.165 -8.401 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.600 -7.469 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.440 -8.024 -5.026 1.00 0.00 H new ATOM 716 N SER A 51 -2.672 -11.066 -4.207 1.00 0.00 N ATOM 717 CA SER A 51 -1.806 -12.155 -3.767 1.00 0.00 C ATOM 718 C SER A 51 -0.338 -11.810 -3.996 1.00 0.00 C ATOM 719 O SER A 51 0.093 -11.607 -5.130 1.00 0.00 O ATOM 720 CB SER A 51 -2.158 -13.450 -4.502 1.00 0.00 C ATOM 721 OG SER A 51 -3.551 -13.535 -4.747 1.00 0.00 O ATOM 0 H SER A 51 -3.184 -10.605 -3.455 1.00 0.00 H new ATOM 0 HA SER A 51 -1.965 -12.300 -2.698 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.616 -13.494 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.837 -14.307 -3.910 1.00 0.00 H new ATOM 0 HG SER A 51 -3.750 -14.370 -5.219 1.00 0.00 H new ATOM 727 N GLY A 52 0.424 -11.743 -2.908 1.00 0.00 N ATOM 728 CA GLY A 52 1.836 -11.421 -3.010 1.00 0.00 C ATOM 729 C GLY A 52 2.253 -10.335 -2.039 1.00 0.00 C ATOM 730 O GLY A 52 1.459 -9.899 -1.205 1.00 0.00 O ATOM 0 H GLY A 52 0.089 -11.906 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.425 -12.319 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.060 -11.100 -4.027 1.00 0.00 H new ATOM 734 N GLN A 53 3.504 -9.898 -2.145 1.00 0.00 N ATOM 735 CA GLN A 53 4.027 -8.856 -1.267 1.00 0.00 C ATOM 736 C GLN A 53 3.578 -7.475 -1.738 1.00 0.00 C ATOM 737 O GLN A 53 4.152 -6.908 -2.666 1.00 0.00 O ATOM 738 CB GLN A 53 5.555 -8.922 -1.217 1.00 0.00 C ATOM 739 CG GLN A 53 6.096 -9.493 0.084 1.00 0.00 C ATOM 740 CD GLN A 53 5.612 -10.905 0.347 1.00 0.00 C ATOM 741 OE1 GLN A 53 5.466 -11.706 -0.577 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.359 -11.219 1.613 1.00 0.00 N ATOM 0 H GLN A 53 4.174 -10.249 -2.829 1.00 0.00 H new ATOM 0 HA GLN A 53 3.632 -9.024 -0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.912 -9.531 -2.048 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.959 -7.920 -1.360 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.186 -9.486 0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.796 -8.850 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.494 -10.524 2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.030 -12.155 1.850 1.00 0.00 H new ATOM 751 N TRP A 54 2.549 -6.940 -1.089 1.00 0.00 N ATOM 752 CA TRP A 54 2.023 -5.626 -1.441 1.00 0.00 C ATOM 753 C TRP A 54 2.225 -4.634 -0.300 1.00 0.00 C ATOM 754 O TRP A 54 2.707 -4.998 0.773 1.00 0.00 O ATOM 755 CB TRP A 54 0.536 -5.724 -1.789 1.00 0.00 C ATOM 756 CG TRP A 54 0.277 -6.424 -3.088 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.171 -7.769 -3.287 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.092 -5.811 -4.369 1.00 0.00 C ATOM 759 NE1 TRP A 54 -0.069 -8.032 -4.614 1.00 0.00 N ATOM 760 CE2 TRP A 54 -0.122 -6.847 -5.300 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.084 -4.488 -4.822 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.340 -6.599 -6.653 1.00 0.00 C ATOM 763 CZ3 TRP A 54 -0.131 -4.244 -6.165 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.341 -5.295 -7.066 1.00 0.00 C ATOM 0 H TRP A 54 2.063 -7.396 -0.317 1.00 0.00 H new ATOM 0 HA TRP A 54 2.570 -5.266 -2.312 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.017 -6.252 -0.989 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.114 -4.720 -1.834 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.262 -8.518 -2.514 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.188 -8.959 -5.022 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.243 -3.671 -4.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.502 -7.407 -7.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.137 -3.226 -6.526 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.507 -5.071 -8.109 1.00 0.00 H new ATOM 775 N ALA A 55 1.853 -3.381 -0.538 1.00 0.00 N ATOM 776 CA ALA A 55 1.994 -2.336 0.469 1.00 0.00 C ATOM 777 C ALA A 55 0.886 -1.296 0.341 1.00 0.00 C ATOM 778 O ALA A 55 0.660 -0.746 -0.737 1.00 0.00 O ATOM 779 CB ALA A 55 3.358 -1.674 0.355 1.00 0.00 C ATOM 0 H ALA A 55 1.451 -3.064 -1.420 1.00 0.00 H new ATOM 0 HA ALA A 55 1.909 -2.800 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.449 -0.896 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.138 -2.420 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.466 -1.231 -0.635 1.00 0.00 H new ATOM 785 N GLY A 56 0.200 -1.030 1.447 1.00 0.00 N ATOM 786 CA GLY A 56 -0.874 -0.055 1.437 1.00 0.00 C ATOM 787 C GLY A 56 -0.366 1.368 1.565 1.00 0.00 C ATOM 788 O GLY A 56 -0.280 1.907 2.669 1.00 0.00 O ATOM 0 H GLY A 56 0.369 -1.472 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.441 -0.153 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.561 -0.267 2.256 1.00 0.00 H new ATOM 792 N ILE A 57 -0.029 1.977 0.433 1.00 0.00 N ATOM 793 CA ILE A 57 0.475 3.345 0.423 1.00 0.00 C ATOM 794 C ILE A 57 -0.634 4.336 0.081 1.00 0.00 C ATOM 795 O ILE A 57 -1.543 4.024 -0.689 1.00 0.00 O ATOM 796 CB ILE A 57 1.628 3.513 -0.586 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.696 2.441 -0.358 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.234 4.904 -0.474 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.356 1.967 -1.634 1.00 0.00 C ATOM 0 H ILE A 57 -0.096 1.545 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 57 0.848 3.552 1.426 1.00 0.00 H new ATOM 0 HB ILE A 57 1.228 3.393 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.460 2.837 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.242 1.588 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.047 5.006 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.469 5.652 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.621 5.052 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.102 1.208 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.603 1.541 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.840 2.810 -2.128 1.00 0.00 H new ATOM 811 N GLU A 58 -0.554 5.529 0.661 1.00 0.00 N ATOM 812 CA GLU A 58 -1.550 6.566 0.419 1.00 0.00 C ATOM 813 C GLU A 58 -0.947 7.727 -0.367 1.00 0.00 C ATOM 814 O GLU A 58 -0.004 8.374 0.089 1.00 0.00 O ATOM 815 CB GLU A 58 -2.121 7.073 1.746 1.00 0.00 C ATOM 816 CG GLU A 58 -3.624 7.299 1.714 1.00 0.00 C ATOM 817 CD GLU A 58 -4.033 8.593 2.390 1.00 0.00 C ATOM 818 OE1 GLU A 58 -3.856 8.701 3.622 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.529 9.499 1.687 1.00 0.00 O ATOM 0 H GLU A 58 0.191 5.802 1.302 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.356 6.131 -0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.887 6.354 2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.627 8.008 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.964 7.311 0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.124 6.463 2.204 1.00 0.00 H new ATOM 826 N LEU A 59 -1.498 7.986 -1.547 1.00 0.00 N ATOM 827 CA LEU A 59 -1.015 9.068 -2.395 1.00 0.00 C ATOM 828 C LEU A 59 -1.432 10.425 -1.835 1.00 0.00 C ATOM 829 O LEU A 59 -2.516 10.568 -1.270 1.00 0.00 O ATOM 830 CB LEU A 59 -1.548 8.906 -3.820 1.00 0.00 C ATOM 831 CG LEU A 59 -0.948 7.741 -4.608 1.00 0.00 C ATOM 832 CD1 LEU A 59 -1.925 7.252 -5.666 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.370 8.153 -5.246 1.00 0.00 C ATOM 0 H LEU A 59 -2.280 7.461 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 59 0.074 9.021 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.629 8.775 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.362 9.829 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.754 6.921 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.480 6.423 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.844 6.917 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.152 8.065 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.783 7.312 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.200 8.989 -5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.072 8.453 -4.469 1.00 0.00 H new ATOM 845 N ASP A 60 -0.563 11.418 -1.994 1.00 0.00 N ATOM 846 CA ASP A 60 -0.841 12.763 -1.504 1.00 0.00 C ATOM 847 C ASP A 60 -1.969 13.411 -2.301 1.00 0.00 C ATOM 848 O ASP A 60 -2.734 14.218 -1.770 1.00 0.00 O ATOM 849 CB ASP A 60 0.417 13.628 -1.584 1.00 0.00 C ATOM 850 CG ASP A 60 0.472 14.672 -0.487 1.00 0.00 C ATOM 851 OD1 ASP A 60 0.031 14.371 0.642 1.00 0.00 O ATOM 852 OD2 ASP A 60 0.956 15.792 -0.756 1.00 0.00 O ATOM 0 H ASP A 60 0.340 11.316 -2.458 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.154 12.685 -0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.298 12.990 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.453 14.123 -2.555 1.00 0.00 H new ATOM 857 N GLU A 61 -2.068 13.053 -3.577 1.00 0.00 N ATOM 858 CA GLU A 61 -3.103 13.600 -4.447 1.00 0.00 C ATOM 859 C GLU A 61 -4.156 12.543 -4.772 1.00 0.00 C ATOM 860 O GLU A 61 -3.919 11.347 -4.608 1.00 0.00 O ATOM 861 CB GLU A 61 -2.482 14.133 -5.740 1.00 0.00 C ATOM 862 CG GLU A 61 -2.072 15.593 -5.660 1.00 0.00 C ATOM 863 CD GLU A 61 -1.590 16.137 -6.991 1.00 0.00 C ATOM 864 OE1 GLU A 61 -0.917 15.387 -7.729 1.00 0.00 O ATOM 865 OE2 GLU A 61 -1.886 17.312 -7.295 1.00 0.00 O ATOM 0 H GLU A 61 -1.444 12.386 -4.032 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.589 14.421 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.607 13.532 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.196 14.009 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.919 16.186 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.281 15.704 -4.918 1.00 0.00 H new ATOM 872 N PRO A 62 -5.340 12.976 -5.240 1.00 0.00 N ATOM 873 CA PRO A 62 -6.432 12.061 -5.588 1.00 0.00 C ATOM 874 C PRO A 62 -6.138 11.266 -6.857 1.00 0.00 C ATOM 875 O PRO A 62 -6.592 11.621 -7.944 1.00 0.00 O ATOM 876 CB PRO A 62 -7.622 12.997 -5.808 1.00 0.00 C ATOM 877 CG PRO A 62 -7.012 14.295 -6.209 1.00 0.00 C ATOM 878 CD PRO A 62 -5.706 14.387 -5.466 1.00 0.00 C ATOM 0 HA PRO A 62 -6.599 11.312 -4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.288 12.616 -6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.216 13.102 -4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.852 14.334 -7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.666 15.129 -5.953 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.948 14.910 -6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.816 14.929 -4.527 1.00 0.00 H new ATOM 886 N GLU A 63 -5.377 10.187 -6.708 1.00 0.00 N ATOM 887 CA GLU A 63 -5.022 9.339 -7.841 1.00 0.00 C ATOM 888 C GLU A 63 -4.983 7.871 -7.430 1.00 0.00 C ATOM 889 O GLU A 63 -4.216 7.082 -7.981 1.00 0.00 O ATOM 890 CB GLU A 63 -3.666 9.757 -8.412 1.00 0.00 C ATOM 891 CG GLU A 63 -3.691 11.105 -9.114 1.00 0.00 C ATOM 892 CD GLU A 63 -4.392 11.050 -10.457 1.00 0.00 C ATOM 893 OE1 GLU A 63 -3.926 10.299 -11.339 1.00 0.00 O ATOM 894 OE2 GLU A 63 -5.406 11.758 -10.626 1.00 0.00 O ATOM 0 H GLU A 63 -4.994 9.879 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.786 9.462 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.936 9.791 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.327 8.996 -9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.192 11.833 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.669 11.456 -9.256 1.00 0.00 H new ATOM 901 N GLY A 64 -5.814 7.513 -6.456 1.00 0.00 N ATOM 902 CA GLY A 64 -5.857 6.140 -5.988 1.00 0.00 C ATOM 903 C GLY A 64 -7.078 5.394 -6.490 1.00 0.00 C ATOM 904 O GLY A 64 -8.072 6.007 -6.879 1.00 0.00 O ATOM 0 H GLY A 64 -6.457 8.148 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.957 5.619 -6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.852 6.131 -4.898 1.00 0.00 H new ATOM 908 N LYS A 65 -7.001 4.067 -6.482 1.00 0.00 N ATOM 909 CA LYS A 65 -8.107 3.235 -6.940 1.00 0.00 C ATOM 910 C LYS A 65 -8.906 2.687 -5.759 1.00 0.00 C ATOM 911 O LYS A 65 -10.080 2.343 -5.898 1.00 0.00 O ATOM 912 CB LYS A 65 -7.582 2.080 -7.797 1.00 0.00 C ATOM 913 CG LYS A 65 -7.681 2.341 -9.293 1.00 0.00 C ATOM 914 CD LYS A 65 -6.337 2.161 -9.984 1.00 0.00 C ATOM 915 CE LYS A 65 -5.735 3.496 -10.391 1.00 0.00 C ATOM 916 NZ LYS A 65 -4.280 3.384 -10.686 1.00 0.00 N ATOM 0 H LYS A 65 -6.184 3.545 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.769 3.856 -7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.541 1.890 -7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.141 1.176 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.411 1.662 -9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.045 3.354 -9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.651 1.640 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.462 1.533 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.255 3.875 -11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.888 4.222 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.908 4.316 -10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.779 3.046 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.135 2.711 -11.466 1.00 0.00 H new ATOM 930 N ASN A 66 -8.263 2.609 -4.596 1.00 0.00 N ATOM 931 CA ASN A 66 -8.917 2.103 -3.394 1.00 0.00 C ATOM 932 C ASN A 66 -9.229 3.239 -2.427 1.00 0.00 C ATOM 933 O ASN A 66 -8.734 4.356 -2.583 1.00 0.00 O ATOM 934 CB ASN A 66 -8.033 1.060 -2.708 1.00 0.00 C ATOM 935 CG ASN A 66 -7.592 -0.038 -3.656 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.252 -1.070 -3.778 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.470 0.180 -4.332 1.00 0.00 N ATOM 0 H ASN A 66 -7.292 2.889 -4.462 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.855 1.634 -3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.154 1.551 -2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.578 0.619 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.123 -0.523 -4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.955 1.051 -4.199 1.00 0.00 H new ATOM 944 N ASN A 67 -10.052 2.947 -1.424 1.00 0.00 N ATOM 945 CA ASN A 67 -10.430 3.944 -0.429 1.00 0.00 C ATOM 946 C ASN A 67 -10.045 3.485 0.973 1.00 0.00 C ATOM 947 O ASN A 67 -10.756 3.752 1.943 1.00 0.00 O ATOM 948 CB ASN A 67 -11.934 4.214 -0.494 1.00 0.00 C ATOM 949 CG ASN A 67 -12.757 2.955 -0.306 1.00 0.00 C ATOM 950 OD1 ASN A 67 -12.308 1.994 0.317 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.971 2.954 -0.846 1.00 0.00 N ATOM 0 H ASN A 67 -10.470 2.028 -1.279 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.892 4.866 -0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.204 4.939 0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.178 4.664 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.570 2.134 -0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.304 3.773 -1.355 1.00 0.00 H new ATOM 958 N GLY A 68 -8.914 2.795 1.074 1.00 0.00 N ATOM 959 CA GLY A 68 -8.453 2.310 2.362 1.00 0.00 C ATOM 960 C GLY A 68 -8.684 0.821 2.537 1.00 0.00 C ATOM 961 O GLY A 68 -7.948 0.154 3.265 1.00 0.00 O ATOM 0 H GLY A 68 -8.308 2.563 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.390 2.525 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.968 2.850 3.156 1.00 0.00 H new ATOM 965 N SER A 69 -9.709 0.301 1.870 1.00 0.00 N ATOM 966 CA SER A 69 -10.036 -1.117 1.954 1.00 0.00 C ATOM 967 C SER A 69 -10.371 -1.681 0.577 1.00 0.00 C ATOM 968 O SER A 69 -10.784 -0.948 -0.321 1.00 0.00 O ATOM 969 CB SER A 69 -11.211 -1.336 2.907 1.00 0.00 C ATOM 970 OG SER A 69 -12.378 -0.682 2.438 1.00 0.00 O ATOM 0 H SER A 69 -10.328 0.841 1.265 1.00 0.00 H new ATOM 0 HA SER A 69 -9.162 -1.643 2.339 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.405 -2.404 3.010 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.954 -0.962 3.898 1.00 0.00 H new ATOM 0 HG SER A 69 -13.115 -0.839 3.064 1.00 0.00 H new ATOM 976 N VAL A 70 -10.188 -2.987 0.417 1.00 0.00 N ATOM 977 CA VAL A 70 -10.471 -3.649 -0.851 1.00 0.00 C ATOM 978 C VAL A 70 -11.487 -4.772 -0.670 1.00 0.00 C ATOM 979 O VAL A 70 -11.147 -5.859 -0.200 1.00 0.00 O ATOM 980 CB VAL A 70 -9.191 -4.228 -1.482 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.468 -4.736 -2.888 1.00 0.00 C ATOM 982 CG2 VAL A 70 -8.083 -3.185 -1.492 1.00 0.00 C ATOM 0 H VAL A 70 -9.845 -3.608 1.150 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.884 -2.891 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.860 -5.072 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.551 -5.141 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.226 -5.518 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.826 -3.914 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.186 -3.611 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.403 -2.320 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.865 -2.876 -0.470 1.00 0.00 H new ATOM 992 N GLY A 71 -12.733 -4.503 -1.045 1.00 0.00 N ATOM 993 CA GLY A 71 -13.778 -5.501 -0.917 1.00 0.00 C ATOM 994 C GLY A 71 -14.151 -5.766 0.529 1.00 0.00 C ATOM 995 O GLY A 71 -14.716 -4.900 1.199 1.00 0.00 O ATOM 0 H GLY A 71 -13.038 -3.611 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.662 -5.170 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.447 -6.431 -1.380 1.00 0.00 H new ATOM 999 N ARG A 72 -13.836 -6.963 1.010 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.142 -7.340 2.386 1.00 0.00 C ATOM 1001 C ARG A 72 -12.869 -7.433 3.220 1.00 0.00 C ATOM 1002 O ARG A 72 -12.793 -8.215 4.169 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.886 -8.676 2.416 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.355 -8.563 2.042 1.00 0.00 C ATOM 1005 CD ARG A 72 -16.858 -9.832 1.375 1.00 0.00 C ATOM 1006 NE ARG A 72 -18.314 -9.847 1.253 1.00 0.00 N ATOM 1007 CZ ARG A 72 -18.980 -10.643 0.420 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -18.326 -11.490 -0.365 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -20.304 -10.592 0.372 1.00 0.00 N ATOM 0 H ARG A 72 -13.369 -7.690 0.468 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.780 -6.568 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.398 -9.370 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.806 -9.105 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.945 -8.362 2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.497 -7.717 1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.410 -9.923 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.534 -10.698 1.952 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.852 -9.210 1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.307 -11.533 -0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -18.842 -12.098 -1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.812 -9.943 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.815 -11.202 -0.266 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.870 -6.633 2.862 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.601 -6.626 3.580 1.00 0.00 C ATOM 1025 C VAL A 73 -10.138 -5.202 3.863 1.00 0.00 C ATOM 1026 O VAL A 73 -10.257 -4.318 3.014 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.504 -7.363 2.789 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.251 -7.525 3.634 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -10.010 -8.715 2.306 1.00 0.00 C ATOM 0 H VAL A 73 -11.915 -5.981 2.079 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.769 -7.145 4.524 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.248 -6.763 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.488 -8.048 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.878 -6.543 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.487 -8.101 4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.221 -9.221 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.297 -9.324 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.875 -8.570 1.659 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.607 -4.984 5.063 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.124 -3.666 5.458 1.00 0.00 C ATOM 1041 C GLN A 74 -7.602 -3.656 5.570 1.00 0.00 C ATOM 1042 O GLN A 74 -6.978 -4.696 5.779 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.748 -3.250 6.791 1.00 0.00 C ATOM 1044 CG GLN A 74 -10.013 -1.757 6.899 1.00 0.00 C ATOM 1045 CD GLN A 74 -8.826 -0.992 7.452 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -7.953 -1.566 8.104 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -8.789 0.310 7.194 1.00 0.00 N ATOM 0 H GLN A 74 -9.501 -5.704 5.778 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.419 -2.952 4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.686 -3.788 6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.086 -3.553 7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.266 -1.365 5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.878 -1.591 7.541 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.535 0.743 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.015 0.877 7.540 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.012 -2.473 5.430 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.564 -2.327 5.517 1.00 0.00 C ATOM 1058 C TYR A 75 -5.189 -1.023 6.213 1.00 0.00 C ATOM 1059 O TYR A 75 -4.376 -1.012 7.136 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.942 -2.370 4.120 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.403 -3.543 3.286 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.602 -3.493 2.585 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.640 -4.702 3.199 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -7.027 -4.564 1.822 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -5.059 -5.776 2.438 1.00 0.00 C ATOM 1066 CZ TYR A 75 -6.252 -5.703 1.751 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.671 -6.770 0.991 1.00 0.00 O ATOM 0 H TYR A 75 -7.514 -1.602 5.256 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.175 -3.157 6.107 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.184 -1.445 3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.857 -2.408 4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.211 -2.603 2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.704 -4.764 3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.962 -4.510 1.284 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.454 -6.669 2.381 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.391 -6.482 0.391 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.788 0.075 5.762 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.517 1.385 6.340 1.00 0.00 C ATOM 1079 C PHE A 76 -6.643 2.363 6.021 1.00 0.00 C ATOM 1080 O PHE A 76 -7.186 2.362 4.917 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.188 1.932 5.815 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.161 2.114 4.325 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.917 1.038 3.487 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.381 3.361 3.762 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.892 1.202 2.115 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.357 3.531 2.391 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.113 2.450 1.566 1.00 0.00 C ATOM 0 H PHE A 76 -6.464 0.083 4.998 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.454 1.271 7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.984 2.890 6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.385 1.254 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.744 0.060 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.573 4.209 4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.700 0.355 1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.529 4.508 1.965 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.095 2.581 0.494 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.989 3.197 6.996 1.00 0.00 N ATOM 1098 CA LYS A 77 -8.051 4.181 6.819 1.00 0.00 C ATOM 1099 C LYS A 77 -7.538 5.407 6.070 1.00 0.00 C ATOM 1100 O LYS A 77 -6.559 6.031 6.479 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.620 4.600 8.176 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.482 3.532 8.829 1.00 0.00 C ATOM 1103 CD LYS A 77 -8.732 2.808 9.937 1.00 0.00 C ATOM 1104 CE LYS A 77 -9.634 2.522 11.126 1.00 0.00 C ATOM 1105 NZ LYS A 77 -9.567 3.604 12.148 1.00 0.00 N ATOM 0 H LYS A 77 -6.550 3.211 7.916 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.842 3.721 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.796 4.850 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.213 5.506 8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.383 3.990 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.804 2.812 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.328 1.872 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.884 3.413 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.662 2.410 10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.345 1.575 11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.196 3.371 12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.591 3.694 12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.867 4.504 11.721 1.00 0.00 H new ATOM 1119 N CYS A 78 -8.206 5.745 4.973 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.817 6.897 4.166 1.00 0.00 C ATOM 1121 C CYS A 78 -9.012 7.449 3.396 1.00 0.00 C ATOM 1122 O CYS A 78 -10.142 6.994 3.575 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.701 6.512 3.194 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.183 5.268 1.973 1.00 0.00 S ATOM 0 H CYS A 78 -9.019 5.239 4.622 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.451 7.673 4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.364 7.407 2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.851 6.136 3.764 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.285 4.329 1.933 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.754 8.431 2.539 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.809 9.046 1.742 1.00 0.00 C ATOM 1132 C ALA A 79 -10.149 8.187 0.526 1.00 0.00 C ATOM 1133 O ALA A 79 -9.387 7.295 0.153 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.393 10.443 1.305 1.00 0.00 C ATOM 0 H ALA A 79 -7.824 8.818 2.379 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.703 9.122 2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.190 10.891 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.206 11.059 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.484 10.381 0.706 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.305 8.446 -0.110 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.743 7.690 -1.288 1.00 0.00 C ATOM 1142 C PRO A 80 -10.907 8.006 -2.524 1.00 0.00 C ATOM 1143 O PRO A 80 -10.595 9.166 -2.795 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.188 8.150 -1.487 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.237 9.512 -0.887 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.273 9.492 0.269 1.00 0.00 C ATOM 0 HA PRO A 80 -11.640 6.615 -1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.454 8.173 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.890 7.475 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.955 10.270 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.245 9.754 -0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.788 10.459 0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.775 9.254 1.207 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.549 6.967 -3.270 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.750 7.131 -4.480 1.00 0.00 C ATOM 1156 C LYS A 81 -8.387 7.735 -4.156 1.00 0.00 C ATOM 1157 O LYS A 81 -7.801 8.444 -4.974 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.485 8.017 -5.488 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.956 7.663 -5.651 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.846 8.887 -5.513 1.00 0.00 C ATOM 1161 CE LYS A 81 -14.248 8.509 -5.063 1.00 0.00 C ATOM 1162 NZ LYS A 81 -14.899 9.604 -4.291 1.00 0.00 N ATOM 0 H LYS A 81 -10.799 6.001 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.596 6.145 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.403 9.057 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.991 7.938 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.114 7.206 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.237 6.922 -4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.406 9.579 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.898 9.410 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.856 8.268 -5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.202 7.610 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.777 9.250 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.255 9.933 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.121 10.395 -4.929 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.888 7.452 -2.957 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.594 7.969 -2.526 1.00 0.00 C ATOM 1178 C TYR A 82 -5.640 6.831 -2.173 1.00 0.00 C ATOM 1179 O TYR A 82 -4.443 6.902 -2.453 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.768 8.897 -1.321 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.843 10.362 -1.691 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.691 11.130 -1.797 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -8.065 10.975 -1.934 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -5.754 12.469 -2.135 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.138 12.312 -2.273 1.00 0.00 C ATOM 1186 CZ TYR A 82 -6.980 13.055 -2.372 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.047 14.388 -2.709 1.00 0.00 O ATOM 0 H TYR A 82 -8.360 6.868 -2.267 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.164 8.534 -3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.676 8.619 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.935 8.747 -0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.730 10.674 -1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.974 10.397 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.849 13.053 -2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.097 12.773 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.983 14.645 -2.844 1.00 0.00 H new ATOM 1197 N GLY A 83 -6.176 5.783 -1.555 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.356 4.648 -1.174 1.00 0.00 C ATOM 1199 C GLY A 83 -5.023 3.751 -2.350 1.00 0.00 C ATOM 1200 O GLY A 83 -5.877 3.473 -3.190 1.00 0.00 O ATOM 0 H GLY A 83 -7.163 5.700 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.431 5.007 -0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.877 4.066 -0.414 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.775 3.296 -2.409 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.327 2.425 -3.487 1.00 0.00 C ATOM 1206 C ILE A 84 -2.361 1.363 -2.970 1.00 0.00 C ATOM 1207 O ILE A 84 -1.588 1.614 -2.045 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.644 3.229 -4.614 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.275 2.310 -5.779 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.411 3.945 -4.084 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.482 2.943 -7.138 1.00 0.00 C ATOM 0 H ILE A 84 -3.056 3.517 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.214 1.937 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.346 3.979 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.231 2.014 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.872 1.400 -5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.941 4.507 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.702 4.629 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.705 3.212 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.200 2.234 -7.916 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.531 3.214 -7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.864 3.837 -7.221 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.412 0.179 -3.570 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.542 -0.920 -3.168 1.00 0.00 C ATOM 1225 C PHE A 85 -0.553 -1.267 -4.276 1.00 0.00 C ATOM 1226 O PHE A 85 -0.939 -1.448 -5.432 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.375 -2.151 -2.807 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.407 -1.888 -1.748 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.605 -1.266 -2.069 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -3.181 -2.261 -0.434 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.556 -1.022 -1.097 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -4.129 -2.019 0.542 1.00 0.00 C ATOM 1233 CZ PHE A 85 -5.319 -1.399 0.210 1.00 0.00 C ATOM 0 H PHE A 85 -3.047 -0.044 -4.337 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.978 -0.601 -2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.873 -2.519 -3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.709 -2.943 -2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.796 -0.969 -3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.253 -2.747 -0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.484 -0.537 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.940 -2.314 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.062 -1.210 0.971 1.00 0.00 H new ATOM 1243 N ALA A 86 0.722 -1.360 -3.916 1.00 0.00 N ATOM 1244 CA ALA A 86 1.768 -1.687 -4.878 1.00 0.00 C ATOM 1245 C ALA A 86 2.700 -2.765 -4.331 1.00 0.00 C ATOM 1246 O ALA A 86 2.883 -2.879 -3.118 1.00 0.00 O ATOM 1247 CB ALA A 86 2.557 -0.439 -5.243 1.00 0.00 C ATOM 0 H ALA A 86 1.057 -1.213 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 86 1.292 -2.078 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.335 -0.697 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.887 0.299 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.016 -0.023 -4.346 1.00 0.00 H new ATOM 1253 N PRO A 87 3.303 -3.574 -5.219 1.00 0.00 N ATOM 1254 CA PRO A 87 4.218 -4.646 -4.815 1.00 0.00 C ATOM 1255 C PRO A 87 5.367 -4.131 -3.953 1.00 0.00 C ATOM 1256 O PRO A 87 6.121 -3.255 -4.368 1.00 0.00 O ATOM 1257 CB PRO A 87 4.750 -5.190 -6.145 1.00 0.00 C ATOM 1258 CG PRO A 87 3.720 -4.811 -7.153 1.00 0.00 C ATOM 1259 CD PRO A 87 3.141 -3.507 -6.682 1.00 0.00 C ATOM 0 HA PRO A 87 3.716 -5.398 -4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.720 -4.757 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.884 -6.271 -6.104 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.163 -4.706 -8.143 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.948 -5.576 -7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.671 -2.655 -7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.094 -3.405 -6.967 1.00 0.00 H new ATOM 1267 N LEU A 88 5.489 -4.682 -2.746 1.00 0.00 N ATOM 1268 CA LEU A 88 6.546 -4.277 -1.825 1.00 0.00 C ATOM 1269 C LEU A 88 7.885 -4.252 -2.544 1.00 0.00 C ATOM 1270 O LEU A 88 8.638 -3.283 -2.456 1.00 0.00 O ATOM 1271 CB LEU A 88 6.609 -5.230 -0.630 1.00 0.00 C ATOM 1272 CG LEU A 88 7.327 -4.678 0.602 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.518 -3.556 1.233 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.583 -5.787 1.612 1.00 0.00 C ATOM 0 H LEU A 88 4.870 -5.408 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 88 6.322 -3.275 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.592 -5.501 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.109 -6.147 -0.942 1.00 0.00 H new ATOM 0 HG LEU A 88 8.288 -4.272 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.045 -3.176 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.387 -2.751 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.542 -3.936 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.095 -5.376 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.633 -6.223 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.205 -6.558 1.156 1.00 0.00 H new ATOM 1286 N SER A 89 8.160 -5.324 -3.278 1.00 0.00 N ATOM 1287 CA SER A 89 9.392 -5.430 -4.043 1.00 0.00 C ATOM 1288 C SER A 89 9.523 -4.234 -4.978 1.00 0.00 C ATOM 1289 O SER A 89 10.628 -3.845 -5.358 1.00 0.00 O ATOM 1290 CB SER A 89 9.417 -6.732 -4.845 1.00 0.00 C ATOM 1291 OG SER A 89 10.704 -7.322 -4.820 1.00 0.00 O ATOM 0 H SER A 89 7.543 -6.133 -3.358 1.00 0.00 H new ATOM 0 HA SER A 89 10.234 -5.437 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.686 -7.429 -4.435 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.125 -6.533 -5.876 1.00 0.00 H new ATOM 0 HG SER A 89 10.693 -8.154 -5.338 1.00 0.00 H new ATOM 1297 N LYS A 90 8.382 -3.643 -5.330 1.00 0.00 N ATOM 1298 CA LYS A 90 8.368 -2.478 -6.202 1.00 0.00 C ATOM 1299 C LYS A 90 8.441 -1.194 -5.380 1.00 0.00 C ATOM 1300 O LYS A 90 8.740 -0.124 -5.909 1.00 0.00 O ATOM 1301 CB LYS A 90 7.107 -2.469 -7.068 1.00 0.00 C ATOM 1302 CG LYS A 90 7.237 -3.289 -8.343 1.00 0.00 C ATOM 1303 CD LYS A 90 6.810 -2.493 -9.568 1.00 0.00 C ATOM 1304 CE LYS A 90 5.824 -3.273 -10.424 1.00 0.00 C ATOM 1305 NZ LYS A 90 6.304 -4.654 -10.707 1.00 0.00 N ATOM 0 H LYS A 90 7.460 -3.953 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 90 9.241 -2.531 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.272 -2.853 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.865 -1.439 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.270 -3.615 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.626 -4.188 -8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.356 -1.554 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.688 -2.239 -10.162 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.861 -3.321 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.663 -2.745 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.882 -4.993 -11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.340 -4.650 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.025 -5.285 -9.929 1.00 0.00 H new ATOM 1319 N ILE A 91 8.168 -1.307 -4.080 1.00 0.00 N ATOM 1320 CA ILE A 91 8.207 -0.151 -3.192 1.00 0.00 C ATOM 1321 C ILE A 91 9.635 0.142 -2.741 1.00 0.00 C ATOM 1322 O ILE A 91 10.286 -0.696 -2.118 1.00 0.00 O ATOM 1323 CB ILE A 91 7.318 -0.366 -1.950 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.884 -0.694 -2.371 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.342 0.866 -1.057 1.00 0.00 C ATOM 1326 CD1 ILE A 91 5.266 0.346 -3.281 1.00 0.00 C ATOM 0 H ILE A 91 7.919 -2.184 -3.623 1.00 0.00 H new ATOM 0 HA ILE A 91 7.825 0.699 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 91 7.714 -1.209 -1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.875 -1.659 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.267 -0.796 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.709 0.696 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.364 1.059 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.970 1.726 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.250 0.047 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.243 1.309 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.860 0.432 -4.191 1.00 0.00 H new ATOM 1338 N SER A 92 10.116 1.340 -3.063 1.00 0.00 N ATOM 1339 CA SER A 92 11.466 1.748 -2.691 1.00 0.00 C ATOM 1340 C SER A 92 11.433 2.994 -1.813 1.00 0.00 C ATOM 1341 O SER A 92 10.366 3.530 -1.516 1.00 0.00 O ATOM 1342 CB SER A 92 12.302 2.014 -3.945 1.00 0.00 C ATOM 1343 OG SER A 92 11.483 2.419 -5.028 1.00 0.00 O ATOM 0 H SER A 92 9.590 2.044 -3.581 1.00 0.00 H new ATOM 0 HA SER A 92 11.923 0.938 -2.123 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.042 2.787 -3.736 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.851 1.113 -4.218 1.00 0.00 H new ATOM 0 HG SER A 92 12.041 2.584 -5.816 1.00 0.00 H new ATOM 1349 N LYS A 93 12.611 3.451 -1.399 1.00 0.00 N ATOM 1350 CA LYS A 93 12.718 4.635 -0.555 1.00 0.00 C ATOM 1351 C LYS A 93 12.843 5.897 -1.402 1.00 0.00 C ATOM 1352 O LYS A 93 13.284 5.844 -2.551 1.00 0.00 O ATOM 1353 CB LYS A 93 13.921 4.512 0.381 1.00 0.00 C ATOM 1354 CG LYS A 93 13.724 5.202 1.721 1.00 0.00 C ATOM 1355 CD LYS A 93 15.004 5.869 2.198 1.00 0.00 C ATOM 1356 CE LYS A 93 14.715 7.180 2.913 1.00 0.00 C ATOM 1357 NZ LYS A 93 14.622 7.000 4.388 1.00 0.00 N ATOM 0 H LYS A 93 13.504 3.019 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 93 11.809 4.709 0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.130 3.456 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.797 4.935 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.934 5.948 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.394 4.473 2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.538 5.197 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.659 6.054 1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.501 7.899 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.781 7.599 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.424 7.917 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.855 6.333 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.522 6.624 4.749 1.00 0.00 H new ATOM 1371 N LEU A 94 12.454 7.031 -0.829 1.00 0.00 N ATOM 1372 CA LEU A 94 12.523 8.306 -1.533 1.00 0.00 C ATOM 1373 C LEU A 94 13.958 8.822 -1.582 1.00 0.00 C ATOM 1374 O LEU A 94 14.768 8.520 -0.706 1.00 0.00 O ATOM 1375 CB LEU A 94 11.621 9.338 -0.853 1.00 0.00 C ATOM 1376 CG LEU A 94 11.252 10.545 -1.716 1.00 0.00 C ATOM 1377 CD1 LEU A 94 10.200 10.163 -2.746 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.758 11.690 -0.845 1.00 0.00 C ATOM 0 H LEU A 94 12.088 7.093 0.121 1.00 0.00 H new ATOM 0 HA LEU A 94 12.177 8.148 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.703 8.843 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 94 12.118 9.694 0.049 1.00 0.00 H new ATOM 0 HG LEU A 94 12.145 10.877 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.950 11.034 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.590 9.374 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.305 9.806 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.500 12.541 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.877 11.370 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.543 11.981 -0.147 1.00 0.00 H new