USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 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 16 CYS SG : rot 180:sc= -0.0238 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -122:sc= 0.259 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0707 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N CYS A 16 6.889 -4.421 -9.360 1.00 0.00 N ATOM 245 CA CYS A 16 5.700 -5.047 -8.806 1.00 0.00 C ATOM 246 C CYS A 16 6.101 -5.802 -7.537 1.00 0.00 C ATOM 247 O CYS A 16 5.808 -5.357 -6.428 1.00 0.00 O ATOM 248 CB CYS A 16 5.018 -5.964 -9.824 1.00 0.00 C ATOM 249 SG CYS A 16 3.486 -6.664 -9.107 1.00 0.00 S ATOM 0 HA CYS A 16 4.966 -4.281 -8.555 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.783 -5.405 -10.730 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.695 -6.768 -10.112 1.00 0.00 H new ATOM 0 HG CYS A 16 2.913 -7.439 -9.980 1.00 0.00 H new ATOM 255 N VAL A 17 6.764 -6.930 -7.742 1.00 0.00 N ATOM 256 CA VAL A 17 7.208 -7.750 -6.628 1.00 0.00 C ATOM 257 C VAL A 17 8.696 -7.499 -6.377 1.00 0.00 C ATOM 258 O VAL A 17 9.058 -6.715 -5.500 1.00 0.00 O ATOM 259 CB VAL A 17 6.888 -9.221 -6.902 1.00 0.00 C ATOM 260 CG1 VAL A 17 7.457 -10.120 -5.801 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.381 -9.434 -7.060 1.00 0.00 C ATOM 0 H VAL A 17 7.005 -7.296 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 17 6.674 -7.479 -5.717 1.00 0.00 H new ATOM 0 HB VAL A 17 7.366 -9.499 -7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.216 -11.160 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.539 -10.000 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.021 -9.840 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.181 -10.488 -7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.873 -9.131 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.014 -8.836 -7.894 1.00 0.00 H new ATOM 271 N SER A 18 9.520 -8.179 -7.161 1.00 0.00 N ATOM 272 CA SER A 18 10.960 -8.039 -7.034 1.00 0.00 C ATOM 273 C SER A 18 11.403 -8.438 -5.625 1.00 0.00 C ATOM 274 O SER A 18 10.571 -8.759 -4.777 1.00 0.00 O ATOM 275 CB SER A 18 11.404 -6.608 -7.345 1.00 0.00 C ATOM 276 OG SER A 18 12.656 -6.573 -8.024 1.00 0.00 O ATOM 0 H SER A 18 9.217 -8.829 -7.887 1.00 0.00 H new ATOM 0 HA SER A 18 11.433 -8.703 -7.758 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.646 -6.118 -7.956 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.479 -6.042 -6.417 1.00 0.00 H new ATOM 0 HG SER A 18 12.904 -5.642 -8.206 1.00 0.00 H new ATOM 282 N GLU A 19 12.711 -8.406 -5.419 1.00 0.00 N ATOM 283 CA GLU A 19 13.274 -8.761 -4.127 1.00 0.00 C ATOM 284 C GLU A 19 12.639 -7.915 -3.021 1.00 0.00 C ATOM 285 O GLU A 19 12.567 -8.344 -1.871 1.00 0.00 O ATOM 286 CB GLU A 19 14.796 -8.605 -4.131 1.00 0.00 C ATOM 287 CG GLU A 19 15.450 -9.632 -5.058 1.00 0.00 C ATOM 288 CD GLU A 19 16.819 -9.145 -5.536 1.00 0.00 C ATOM 289 OE1 GLU A 19 17.477 -8.360 -4.836 1.00 0.00 O ATOM 290 OE2 GLU A 19 17.196 -9.612 -6.678 1.00 0.00 O ATOM 0 H GLU A 19 13.398 -8.140 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 19 13.050 -9.809 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.061 -7.598 -4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.180 -8.727 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.560 -10.582 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.805 -9.815 -5.917 1.00 0.00 H new ATOM 297 N LYS A 20 12.194 -6.729 -3.409 1.00 0.00 N ATOM 298 CA LYS A 20 11.568 -5.819 -2.465 1.00 0.00 C ATOM 299 C LYS A 20 10.424 -6.541 -1.750 1.00 0.00 C ATOM 300 O LYS A 20 10.430 -6.662 -0.526 1.00 0.00 O ATOM 301 CB LYS A 20 11.138 -4.530 -3.168 1.00 0.00 C ATOM 302 CG LYS A 20 11.106 -3.356 -2.187 1.00 0.00 C ATOM 303 CD LYS A 20 12.442 -2.610 -2.181 1.00 0.00 C ATOM 304 CE LYS A 20 12.317 -1.256 -2.883 1.00 0.00 C ATOM 305 NZ LYS A 20 13.182 -0.251 -2.226 1.00 0.00 N ATOM 0 H LYS A 20 12.255 -6.377 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 20 12.281 -5.514 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.827 -4.309 -3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.152 -4.665 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.304 -2.671 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.885 -3.721 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.775 -2.462 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.202 -3.213 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.597 -1.356 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.280 -0.922 -2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.086 0.662 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.896 -0.144 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.173 -0.564 -2.270 1.00 0.00 H new ATOM 319 N LEU A 21 9.470 -7.002 -2.545 1.00 0.00 N ATOM 320 CA LEU A 21 8.321 -7.709 -2.004 1.00 0.00 C ATOM 321 C LEU A 21 8.786 -9.026 -1.379 1.00 0.00 C ATOM 322 O LEU A 21 8.473 -9.315 -0.225 1.00 0.00 O ATOM 323 CB LEU A 21 7.245 -7.884 -3.077 1.00 0.00 C ATOM 324 CG LEU A 21 5.935 -7.129 -2.843 1.00 0.00 C ATOM 325 CD1 LEU A 21 5.960 -5.762 -3.530 1.00 0.00 C ATOM 326 CD2 LEU A 21 4.733 -7.968 -3.279 1.00 0.00 C ATOM 0 H LEU A 21 9.469 -6.900 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 21 7.854 -7.126 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.659 -7.565 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.018 -8.946 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 21 5.831 -6.950 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.017 -5.246 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.782 -5.168 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.099 -5.896 -4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.815 -7.408 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.817 -8.200 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.709 -8.895 -2.706 1.00 0.00 H new ATOM 338 N LEU A 22 9.527 -9.790 -2.169 1.00 0.00 N ATOM 339 CA LEU A 22 10.038 -11.070 -1.708 1.00 0.00 C ATOM 340 C LEU A 22 10.504 -10.935 -0.257 1.00 0.00 C ATOM 341 O LEU A 22 10.353 -11.862 0.536 1.00 0.00 O ATOM 342 CB LEU A 22 11.121 -11.587 -2.657 1.00 0.00 C ATOM 343 CG LEU A 22 10.679 -11.857 -4.097 1.00 0.00 C ATOM 344 CD1 LEU A 22 11.861 -11.753 -5.062 1.00 0.00 C ATOM 345 CD2 LEU A 22 9.966 -13.206 -4.207 1.00 0.00 C ATOM 0 H LEU A 22 9.786 -9.547 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 22 9.250 -11.823 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.934 -10.862 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.528 -12.510 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 22 9.961 -11.089 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.519 -11.949 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.287 -10.751 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.621 -12.485 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.662 -13.374 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.642 -14.002 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.085 -13.205 -3.565 1.00 0.00 H new ATOM 357 N ARG A 23 11.062 -9.771 0.045 1.00 0.00 N ATOM 358 CA ARG A 23 11.552 -9.503 1.387 1.00 0.00 C ATOM 359 C ARG A 23 10.391 -9.125 2.310 1.00 0.00 C ATOM 360 O ARG A 23 10.175 -9.767 3.336 1.00 0.00 O ATOM 361 CB ARG A 23 12.580 -8.370 1.382 1.00 0.00 C ATOM 362 CG ARG A 23 13.949 -8.875 0.923 1.00 0.00 C ATOM 363 CD ARG A 23 14.679 -9.591 2.061 1.00 0.00 C ATOM 364 NE ARG A 23 14.597 -11.057 1.872 1.00 0.00 N ATOM 365 CZ ARG A 23 15.117 -11.714 0.814 1.00 0.00 C ATOM 366 NH1 ARG A 23 15.762 -11.040 -0.162 1.00 0.00 N ATOM 367 NH2 ARG A 23 14.984 -13.026 0.747 1.00 0.00 N ATOM 0 H ARG A 23 11.185 -9.004 -0.616 1.00 0.00 H new ATOM 0 HA ARG A 23 12.031 -10.411 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.243 -7.571 0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.662 -7.944 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.826 -9.555 0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.550 -8.037 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.723 -9.277 2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.237 -9.314 3.018 1.00 0.00 H new ATOM 0 HE ARG A 23 14.117 -11.605 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.859 -10.026 -0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.152 -11.544 -0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.494 -13.527 1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.371 -13.538 -0.046 1.00 0.00 H new ATOM 381 N LYS A 24 9.675 -8.084 1.911 1.00 0.00 N ATOM 382 CA LYS A 24 8.542 -7.613 2.689 1.00 0.00 C ATOM 383 C LYS A 24 7.692 -8.809 3.120 1.00 0.00 C ATOM 384 O LYS A 24 7.539 -9.069 4.312 1.00 0.00 O ATOM 385 CB LYS A 24 7.761 -6.552 1.910 1.00 0.00 C ATOM 386 CG LYS A 24 7.877 -5.182 2.583 1.00 0.00 C ATOM 387 CD LYS A 24 9.213 -4.518 2.247 1.00 0.00 C ATOM 388 CE LYS A 24 9.000 -3.230 1.448 1.00 0.00 C ATOM 389 NZ LYS A 24 8.562 -2.133 2.340 1.00 0.00 N ATOM 0 H LYS A 24 9.858 -7.554 1.059 1.00 0.00 H new ATOM 0 HA LYS A 24 8.884 -7.120 3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.139 -6.493 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.712 -6.842 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.057 -4.542 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.784 -5.294 3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.753 -4.294 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.832 -5.208 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.925 -2.950 0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.253 -3.396 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.422 -1.267 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.668 -2.396 2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.288 -1.964 3.065 1.00 0.00 H new ATOM 403 N THR A 25 7.161 -9.506 2.126 1.00 0.00 N ATOM 404 CA THR A 25 6.330 -10.669 2.387 1.00 0.00 C ATOM 405 C THR A 25 7.074 -11.667 3.277 1.00 0.00 C ATOM 406 O THR A 25 8.122 -11.345 3.835 1.00 0.00 O ATOM 407 CB THR A 25 5.901 -11.256 1.041 1.00 0.00 C ATOM 408 OG1 THR A 25 4.856 -12.165 1.376 1.00 0.00 O ATOM 409 CG2 THR A 25 6.982 -12.144 0.419 1.00 0.00 C ATOM 0 H THR A 25 7.290 -9.287 1.138 1.00 0.00 H new ATOM 0 HA THR A 25 5.431 -10.397 2.940 1.00 0.00 H new ATOM 0 HB THR A 25 5.655 -10.447 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.090 -13.063 1.061 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.627 -12.535 -0.534 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.886 -11.557 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.203 -12.973 1.091 1.00 0.00 H new ATOM 417 N ARG A 26 6.503 -12.858 3.381 1.00 0.00 N ATOM 418 CA ARG A 26 7.099 -13.905 4.193 1.00 0.00 C ATOM 419 C ARG A 26 6.388 -15.237 3.947 1.00 0.00 C ATOM 420 O ARG A 26 5.490 -15.320 3.110 1.00 0.00 O ATOM 421 CB ARG A 26 7.020 -13.560 5.682 1.00 0.00 C ATOM 422 CG ARG A 26 5.639 -13.008 6.044 1.00 0.00 C ATOM 423 CD ARG A 26 5.755 -11.635 6.709 1.00 0.00 C ATOM 424 NE ARG A 26 6.410 -11.767 8.030 1.00 0.00 N ATOM 425 CZ ARG A 26 6.888 -10.726 8.745 1.00 0.00 C ATOM 426 NH1 ARG A 26 6.789 -9.466 8.271 1.00 0.00 N ATOM 427 NH2 ARG A 26 7.455 -10.959 9.914 1.00 0.00 N ATOM 0 H ARG A 26 5.634 -13.121 2.916 1.00 0.00 H new ATOM 0 HA ARG A 26 8.147 -13.990 3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.227 -14.450 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.786 -12.825 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.027 -12.930 5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.131 -13.700 6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.331 -10.962 6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.765 -11.194 6.827 1.00 0.00 H new ATOM 0 HE ARG A 26 6.506 -12.703 8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.350 -9.294 7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.153 -8.685 8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.527 -11.914 10.265 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.821 -10.184 10.467 1.00 0.00 H new ATOM 441 N GLU A 27 6.816 -16.246 4.691 1.00 0.00 N ATOM 442 CA GLU A 27 6.231 -17.570 4.564 1.00 0.00 C ATOM 443 C GLU A 27 4.786 -17.563 5.066 1.00 0.00 C ATOM 444 O GLU A 27 3.882 -18.028 4.373 1.00 0.00 O ATOM 445 CB GLU A 27 7.066 -18.612 5.312 1.00 0.00 C ATOM 446 CG GLU A 27 7.091 -18.320 6.813 1.00 0.00 C ATOM 447 CD GLU A 27 8.209 -19.102 7.506 1.00 0.00 C ATOM 448 OE1 GLU A 27 8.432 -20.279 7.187 1.00 0.00 O ATOM 449 OE2 GLU A 27 8.859 -18.443 8.405 1.00 0.00 O ATOM 0 H GLU A 27 7.561 -16.173 5.384 1.00 0.00 H new ATOM 0 HA GLU A 27 6.227 -17.844 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.654 -19.606 5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.084 -18.616 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.234 -17.252 6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.130 -18.584 7.254 1.00 0.00 H new ATOM 456 N SER A 28 4.612 -17.030 6.266 1.00 0.00 N ATOM 457 CA SER A 28 3.292 -16.956 6.868 1.00 0.00 C ATOM 458 C SER A 28 2.259 -16.547 5.817 1.00 0.00 C ATOM 459 O SER A 28 2.616 -16.026 4.761 1.00 0.00 O ATOM 460 CB SER A 28 3.275 -15.971 8.039 1.00 0.00 C ATOM 461 OG SER A 28 2.926 -16.607 9.266 1.00 0.00 O ATOM 0 H SER A 28 5.364 -16.645 6.838 1.00 0.00 H new ATOM 0 HA SER A 28 3.037 -17.943 7.254 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.257 -15.507 8.137 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.564 -15.171 7.830 1.00 0.00 H new ATOM 0 HG SER A 28 2.928 -15.946 9.989 1.00 0.00 H new ATOM 467 N PRO A 29 0.966 -16.805 6.150 1.00 0.00 N ATOM 468 CA PRO A 29 -0.121 -16.470 5.246 1.00 0.00 C ATOM 469 C PRO A 29 -0.386 -14.963 5.243 1.00 0.00 C ATOM 470 O PRO A 29 0.192 -14.226 6.040 1.00 0.00 O ATOM 471 CB PRO A 29 -1.308 -17.281 5.740 1.00 0.00 C ATOM 472 CG PRO A 29 -0.975 -17.679 7.169 1.00 0.00 C ATOM 473 CD PRO A 29 0.507 -17.421 7.391 1.00 0.00 C ATOM 0 HA PRO A 29 0.105 -16.713 4.208 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.225 -16.694 5.702 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.467 -18.161 5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.573 -17.103 7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.209 -18.730 7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.671 -16.763 8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.044 -18.347 7.595 1.00 0.00 H new ATOM 481 N LEU A 30 -1.262 -14.550 4.338 1.00 0.00 N ATOM 482 CA LEU A 30 -1.611 -13.145 4.221 1.00 0.00 C ATOM 483 C LEU A 30 -2.887 -12.872 5.020 1.00 0.00 C ATOM 484 O LEU A 30 -3.174 -11.727 5.366 1.00 0.00 O ATOM 485 CB LEU A 30 -1.708 -12.738 2.749 1.00 0.00 C ATOM 486 CG LEU A 30 -2.911 -13.287 1.980 1.00 0.00 C ATOM 487 CD1 LEU A 30 -4.117 -12.354 2.110 1.00 0.00 C ATOM 488 CD2 LEU A 30 -2.550 -13.556 0.517 1.00 0.00 C ATOM 0 H LEU A 30 -1.740 -15.164 3.679 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.827 -12.521 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.733 -11.650 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.799 -13.062 2.242 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.193 -14.242 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.959 -12.768 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.389 -12.256 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.863 -11.373 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.423 -13.946 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.228 -12.628 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.742 -14.286 0.470 1.00 0.00 H new ATOM 500 N VAL A 31 -3.618 -13.944 5.289 1.00 0.00 N ATOM 501 CA VAL A 31 -4.857 -13.834 6.041 1.00 0.00 C ATOM 502 C VAL A 31 -4.656 -12.866 7.209 1.00 0.00 C ATOM 503 O VAL A 31 -5.440 -11.937 7.391 1.00 0.00 O ATOM 504 CB VAL A 31 -5.322 -15.222 6.488 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.802 -15.198 7.941 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.411 -15.761 5.559 1.00 0.00 C ATOM 0 H VAL A 31 -3.377 -14.892 5.000 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.650 -13.426 5.414 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.468 -15.897 6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.127 -16.197 8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.986 -14.878 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.636 -14.503 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.723 -16.748 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.266 -15.086 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.020 -15.834 4.544 1.00 0.00 H new ATOM 516 N PRO A 32 -3.572 -13.125 7.990 1.00 0.00 N ATOM 517 CA PRO A 32 -3.258 -12.287 9.135 1.00 0.00 C ATOM 518 C PRO A 32 -2.662 -10.950 8.689 1.00 0.00 C ATOM 519 O PRO A 32 -3.146 -9.889 9.080 1.00 0.00 O ATOM 520 CB PRO A 32 -2.300 -13.114 9.976 1.00 0.00 C ATOM 521 CG PRO A 32 -1.751 -14.186 9.049 1.00 0.00 C ATOM 522 CD PRO A 32 -2.621 -14.217 7.804 1.00 0.00 C ATOM 0 HA PRO A 32 -4.141 -12.015 9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.497 -12.495 10.376 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.813 -13.560 10.828 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.716 -13.969 8.786 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.757 -15.158 9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.026 -14.075 6.902 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.132 -15.174 7.702 1.00 0.00 H new ATOM 530 N ILE A 33 -1.620 -11.045 7.876 1.00 0.00 N ATOM 531 CA ILE A 33 -0.952 -9.857 7.373 1.00 0.00 C ATOM 532 C ILE A 33 -2.001 -8.859 6.879 1.00 0.00 C ATOM 533 O ILE A 33 -1.876 -7.657 7.106 1.00 0.00 O ATOM 534 CB ILE A 33 0.086 -10.233 6.315 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.175 -11.129 6.908 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.671 -8.984 5.652 1.00 0.00 C ATOM 537 CD1 ILE A 33 1.996 -11.799 5.805 1.00 0.00 C ATOM 0 H ILE A 33 -1.222 -11.927 7.553 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.395 -9.366 8.171 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.415 -10.807 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.831 -10.536 7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.719 -11.891 7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.406 -9.280 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.128 -8.419 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.152 -8.362 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.763 -12.430 6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.341 -12.410 5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.470 -11.035 5.189 1.00 0.00 H new ATOM 549 N GLY A 34 -3.012 -9.394 6.211 1.00 0.00 N ATOM 550 CA GLY A 34 -4.082 -8.566 5.682 1.00 0.00 C ATOM 551 C GLY A 34 -5.008 -8.085 6.801 1.00 0.00 C ATOM 552 O GLY A 34 -5.395 -6.918 6.833 1.00 0.00 O ATOM 0 H GLY A 34 -3.113 -10.392 6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.658 -7.707 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.656 -9.132 4.948 1.00 0.00 H new ATOM 556 N LEU A 35 -5.335 -9.008 7.693 1.00 0.00 N ATOM 557 CA LEU A 35 -6.208 -8.693 8.811 1.00 0.00 C ATOM 558 C LEU A 35 -5.658 -7.473 9.553 1.00 0.00 C ATOM 559 O LEU A 35 -6.358 -6.476 9.721 1.00 0.00 O ATOM 560 CB LEU A 35 -6.400 -9.921 9.703 1.00 0.00 C ATOM 561 CG LEU A 35 -7.773 -10.062 10.363 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.021 -11.505 10.808 1.00 0.00 C ATOM 563 CD2 LEU A 35 -7.933 -9.070 11.516 1.00 0.00 C ATOM 0 H LEU A 35 -5.011 -9.975 7.664 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.204 -8.428 8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.213 -10.813 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.643 -9.898 10.487 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.535 -9.818 9.622 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.004 -11.578 11.274 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.980 -12.165 9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.256 -11.801 11.526 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.918 -9.192 11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.165 -9.257 12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.831 -8.053 11.138 1.00 0.00 H new ATOM 575 N GLY A 36 -4.408 -7.593 9.978 1.00 0.00 N ATOM 576 CA GLY A 36 -3.756 -6.512 10.698 1.00 0.00 C ATOM 577 C GLY A 36 -3.595 -5.278 9.808 1.00 0.00 C ATOM 578 O GLY A 36 -4.165 -4.226 10.091 1.00 0.00 O ATOM 0 H GLY A 36 -3.830 -8.422 9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.341 -6.254 11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.778 -6.842 11.049 1.00 0.00 H new ATOM 582 N GLY A 37 -2.816 -5.449 8.750 1.00 0.00 N ATOM 583 CA GLY A 37 -2.573 -4.363 7.817 1.00 0.00 C ATOM 584 C GLY A 37 -3.879 -3.659 7.442 1.00 0.00 C ATOM 585 O GLY A 37 -3.869 -2.496 7.043 1.00 0.00 O ATOM 0 H GLY A 37 -2.345 -6.324 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.883 -3.645 8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.094 -4.751 6.918 1.00 0.00 H new ATOM 589 N CYS A 38 -4.972 -4.395 7.583 1.00 0.00 N ATOM 590 CA CYS A 38 -6.283 -3.856 7.264 1.00 0.00 C ATOM 591 C CYS A 38 -6.719 -2.942 8.411 1.00 0.00 C ATOM 592 O CYS A 38 -6.921 -1.745 8.213 1.00 0.00 O ATOM 593 CB CYS A 38 -7.302 -4.967 7.001 1.00 0.00 C ATOM 594 SG CYS A 38 -8.974 -4.249 6.806 1.00 0.00 S ATOM 0 H CYS A 38 -4.976 -5.360 7.914 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.227 -3.278 6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.027 -5.519 6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.297 -5.679 7.826 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.831 -5.200 6.581 1.00 0.00 H new ATOM 600 N LEU A 39 -6.850 -3.541 9.586 1.00 0.00 N ATOM 601 CA LEU A 39 -7.259 -2.796 10.764 1.00 0.00 C ATOM 602 C LEU A 39 -6.553 -1.438 10.773 1.00 0.00 C ATOM 603 O LEU A 39 -7.204 -0.397 10.850 1.00 0.00 O ATOM 604 CB LEU A 39 -7.019 -3.622 12.030 1.00 0.00 C ATOM 605 CG LEU A 39 -8.155 -3.623 13.055 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.401 -2.216 13.602 1.00 0.00 C ATOM 607 CD2 LEU A 39 -9.424 -4.240 12.466 1.00 0.00 C ATOM 0 H LEU A 39 -6.680 -4.534 9.747 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.331 -2.599 10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.821 -4.653 11.736 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.117 -3.251 12.517 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.855 -4.247 13.897 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.213 -2.245 14.328 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.495 -1.850 14.085 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.670 -1.549 12.783 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.216 -4.228 13.215 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.739 -3.664 11.596 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.223 -5.269 12.166 1.00 0.00 H new ATOM 619 N VAL A 40 -5.232 -1.493 10.694 1.00 0.00 N ATOM 620 CA VAL A 40 -4.432 -0.280 10.693 1.00 0.00 C ATOM 621 C VAL A 40 -4.840 0.593 9.505 1.00 0.00 C ATOM 622 O VAL A 40 -5.190 1.759 9.678 1.00 0.00 O ATOM 623 CB VAL A 40 -2.943 -0.636 10.690 1.00 0.00 C ATOM 624 CG1 VAL A 40 -2.576 -1.449 9.447 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.079 0.622 10.798 1.00 0.00 C ATOM 0 H VAL A 40 -4.695 -2.358 10.630 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.613 0.298 11.599 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.744 -1.255 11.565 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.513 -1.689 9.470 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.156 -2.372 9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.798 -0.866 8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.026 0.341 10.794 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.283 1.278 9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.312 1.145 11.726 1.00 0.00 H new ATOM 635 N VAL A 41 -4.781 -0.005 8.324 1.00 0.00 N ATOM 636 CA VAL A 41 -5.140 0.704 7.107 1.00 0.00 C ATOM 637 C VAL A 41 -6.426 1.498 7.345 1.00 0.00 C ATOM 638 O VAL A 41 -6.400 2.727 7.398 1.00 0.00 O ATOM 639 CB VAL A 41 -5.252 -0.280 5.942 1.00 0.00 C ATOM 640 CG1 VAL A 41 -6.238 0.228 4.888 1.00 0.00 C ATOM 641 CG2 VAL A 41 -3.881 -0.555 5.322 1.00 0.00 C ATOM 0 H VAL A 41 -4.490 -0.973 8.184 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.362 1.418 6.838 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.637 -1.221 6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.299 -0.490 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.223 0.349 5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.896 1.188 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.990 -1.258 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.456 0.378 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.219 -0.981 6.076 1.00 0.00 H new ATOM 651 N ALA A 42 -7.520 0.764 7.483 1.00 0.00 N ATOM 652 CA ALA A 42 -8.813 1.384 7.715 1.00 0.00 C ATOM 653 C ALA A 42 -8.669 2.471 8.782 1.00 0.00 C ATOM 654 O ALA A 42 -9.311 3.517 8.698 1.00 0.00 O ATOM 655 CB ALA A 42 -9.831 0.311 8.109 1.00 0.00 C ATOM 0 H ALA A 42 -7.538 -0.255 7.439 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.178 1.861 6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.801 0.776 8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.918 -0.420 7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.499 -0.188 9.019 1.00 0.00 H new ATOM 661 N ALA A 43 -7.823 2.187 9.760 1.00 0.00 N ATOM 662 CA ALA A 43 -7.586 3.127 10.842 1.00 0.00 C ATOM 663 C ALA A 43 -7.212 4.490 10.255 1.00 0.00 C ATOM 664 O ALA A 43 -7.870 5.491 10.534 1.00 0.00 O ATOM 665 CB ALA A 43 -6.503 2.575 11.771 1.00 0.00 C ATOM 0 H ALA A 43 -7.292 1.318 9.826 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.489 3.261 11.438 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.326 3.281 12.583 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.830 1.621 12.185 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.581 2.430 11.209 1.00 0.00 H new ATOM 671 N TYR A 44 -6.157 4.483 9.454 1.00 0.00 N ATOM 672 CA TYR A 44 -5.688 5.706 8.825 1.00 0.00 C ATOM 673 C TYR A 44 -6.735 6.263 7.859 1.00 0.00 C ATOM 674 O TYR A 44 -6.972 7.470 7.822 1.00 0.00 O ATOM 675 CB TYR A 44 -4.436 5.321 8.034 1.00 0.00 C ATOM 676 CG TYR A 44 -3.915 6.427 7.116 1.00 0.00 C ATOM 677 CD1 TYR A 44 -3.412 7.593 7.657 1.00 0.00 C ATOM 678 CD2 TYR A 44 -3.947 6.260 5.746 1.00 0.00 C ATOM 679 CE1 TYR A 44 -2.921 8.635 6.792 1.00 0.00 C ATOM 680 CE2 TYR A 44 -3.457 7.302 4.881 1.00 0.00 C ATOM 681 CZ TYR A 44 -2.968 8.438 5.447 1.00 0.00 C ATOM 682 OH TYR A 44 -2.504 9.422 4.631 1.00 0.00 O ATOM 0 H TYR A 44 -5.614 3.650 9.226 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.490 6.471 9.576 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.648 5.043 8.734 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.655 4.438 7.434 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.387 7.724 8.729 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.340 5.347 5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.524 9.552 7.202 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.477 7.184 3.808 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.599 9.143 3.696 1.00 0.00 H new ATOM 692 N ARG A 45 -7.335 5.357 7.100 1.00 0.00 N ATOM 693 CA ARG A 45 -8.352 5.743 6.136 1.00 0.00 C ATOM 694 C ARG A 45 -9.376 6.674 6.789 1.00 0.00 C ATOM 695 O ARG A 45 -9.424 7.863 6.480 1.00 0.00 O ATOM 696 CB ARG A 45 -9.073 4.516 5.576 1.00 0.00 C ATOM 697 CG ARG A 45 -8.974 4.472 4.049 1.00 0.00 C ATOM 698 CD ARG A 45 -10.074 5.318 3.404 1.00 0.00 C ATOM 699 NE ARG A 45 -11.017 4.446 2.668 1.00 0.00 N ATOM 700 CZ ARG A 45 -11.792 4.864 1.645 1.00 0.00 C ATOM 701 NH1 ARG A 45 -11.743 6.147 1.228 1.00 0.00 N ATOM 702 NH2 ARG A 45 -12.599 3.999 1.059 1.00 0.00 N ATOM 0 H ARG A 45 -7.136 4.357 7.133 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.854 6.263 5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.639 3.610 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.121 4.537 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.997 4.838 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.055 3.441 3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.608 5.880 4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.632 6.046 2.724 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.085 3.469 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.117 6.809 1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.332 6.455 0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.630 3.032 1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.191 4.298 0.284 1.00 0.00 H new ATOM 716 N ILE A 46 -10.170 6.097 7.679 1.00 0.00 N ATOM 717 CA ILE A 46 -11.190 6.860 8.378 1.00 0.00 C ATOM 718 C ILE A 46 -10.551 8.098 9.009 1.00 0.00 C ATOM 719 O ILE A 46 -11.086 9.201 8.900 1.00 0.00 O ATOM 720 CB ILE A 46 -11.931 5.972 9.379 1.00 0.00 C ATOM 721 CG1 ILE A 46 -10.952 5.101 10.169 1.00 0.00 C ATOM 722 CG2 ILE A 46 -13.006 5.137 8.681 1.00 0.00 C ATOM 723 CD1 ILE A 46 -11.063 5.374 11.670 1.00 0.00 C ATOM 0 H ILE A 46 -10.128 5.110 7.932 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.948 7.213 7.679 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.439 6.617 10.096 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.155 4.048 9.971 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.933 5.297 9.834 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.517 4.515 9.416 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -13.727 5.799 8.202 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.541 4.501 7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.357 4.742 12.208 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.836 6.422 11.867 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.076 5.153 12.006 1.00 0.00 H new ATOM 735 N TYR A 47 -9.417 7.875 9.656 1.00 0.00 N ATOM 736 CA TYR A 47 -8.700 8.960 10.305 1.00 0.00 C ATOM 737 C TYR A 47 -8.766 10.239 9.468 1.00 0.00 C ATOM 738 O TYR A 47 -9.299 11.252 9.918 1.00 0.00 O ATOM 739 CB TYR A 47 -7.243 8.503 10.402 1.00 0.00 C ATOM 740 CG TYR A 47 -6.676 8.528 11.824 1.00 0.00 C ATOM 741 CD1 TYR A 47 -6.529 9.730 12.486 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.313 7.349 12.443 1.00 0.00 C ATOM 743 CE1 TYR A 47 -5.996 9.753 13.824 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.780 7.373 13.780 1.00 0.00 C ATOM 745 CZ TYR A 47 -5.648 8.574 14.405 1.00 0.00 C ATOM 746 OH TYR A 47 -5.145 8.596 15.668 1.00 0.00 O ATOM 0 H TYR A 47 -8.977 6.959 9.745 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.136 9.179 11.280 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.164 7.490 10.008 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.630 9.141 9.766 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.813 10.652 12.001 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.429 6.409 11.924 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.875 10.686 14.354 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.491 6.458 14.276 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.942 7.681 15.955 1.00 0.00 H new ATOM 756 N ARG A 48 -8.217 10.150 8.266 1.00 0.00 N ATOM 757 CA ARG A 48 -8.207 11.288 7.362 1.00 0.00 C ATOM 758 C ARG A 48 -9.634 11.648 6.946 1.00 0.00 C ATOM 759 O ARG A 48 -10.010 12.819 6.952 1.00 0.00 O ATOM 760 CB ARG A 48 -7.378 10.990 6.111 1.00 0.00 C ATOM 761 CG ARG A 48 -6.252 12.013 5.942 1.00 0.00 C ATOM 762 CD ARG A 48 -5.782 12.076 4.488 1.00 0.00 C ATOM 763 NE ARG A 48 -5.639 13.487 4.063 1.00 0.00 N ATOM 764 CZ ARG A 48 -6.646 14.232 3.560 1.00 0.00 C ATOM 765 NH1 ARG A 48 -7.880 13.706 3.413 1.00 0.00 N ATOM 766 NH2 ARG A 48 -6.405 15.483 3.213 1.00 0.00 N ATOM 0 H ARG A 48 -7.776 9.308 7.897 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.757 12.128 7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.956 9.987 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.022 11.004 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.599 12.997 6.259 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.415 11.747 6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.829 11.557 4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.497 11.564 3.844 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.722 13.924 4.156 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.057 12.738 3.683 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.635 14.276 3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.469 15.873 3.327 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.155 16.060 2.831 1.00 0.00 H new ATOM 780 N LEU A 49 -10.391 10.619 6.594 1.00 0.00 N ATOM 781 CA LEU A 49 -11.769 10.813 6.176 1.00 0.00 C ATOM 782 C LEU A 49 -12.472 11.744 7.165 1.00 0.00 C ATOM 783 O LEU A 49 -12.682 12.921 6.874 1.00 0.00 O ATOM 784 CB LEU A 49 -12.469 9.464 5.997 1.00 0.00 C ATOM 785 CG LEU A 49 -13.144 9.232 4.643 1.00 0.00 C ATOM 786 CD1 LEU A 49 -12.523 8.036 3.919 1.00 0.00 C ATOM 787 CD2 LEU A 49 -14.658 9.082 4.804 1.00 0.00 C ATOM 0 H LEU A 49 -10.076 9.649 6.590 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.806 11.298 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.736 8.673 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.222 9.362 6.778 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.972 10.110 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.021 7.893 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.462 8.222 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.643 7.140 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.113 8.918 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.873 8.232 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.068 9.989 5.248 1.00 0.00 H new ATOM 799 N ARG A 50 -12.816 11.183 8.315 1.00 0.00 N ATOM 800 CA ARG A 50 -13.491 11.948 9.349 1.00 0.00 C ATOM 801 C ARG A 50 -12.832 13.320 9.509 1.00 0.00 C ATOM 802 O ARG A 50 -11.743 13.554 8.988 1.00 0.00 O ATOM 803 CB ARG A 50 -13.455 11.213 10.690 1.00 0.00 C ATOM 804 CG ARG A 50 -14.856 11.115 11.299 1.00 0.00 C ATOM 805 CD ARG A 50 -14.805 10.478 12.690 1.00 0.00 C ATOM 806 NE ARG A 50 -15.866 9.454 12.816 1.00 0.00 N ATOM 807 CZ ARG A 50 -15.935 8.339 12.058 1.00 0.00 C ATOM 808 NH1 ARG A 50 -15.004 8.095 11.111 1.00 0.00 N ATOM 809 NH2 ARG A 50 -16.927 7.491 12.256 1.00 0.00 N ATOM 0 H ARG A 50 -12.640 10.207 8.553 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.530 12.073 9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.045 10.213 10.550 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.791 11.736 11.378 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.298 12.109 11.366 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.499 10.524 10.647 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.828 10.024 12.856 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.934 11.244 13.455 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.590 9.600 13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.241 8.756 10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.064 7.250 10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.627 7.683 12.973 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.994 6.644 11.692 1.00 0.00 H new ATOM 1045 N ARG A 65 5.526 12.600 8.013 1.00 0.00 N ATOM 1046 CA ARG A 65 6.019 11.376 7.404 1.00 0.00 C ATOM 1047 C ARG A 65 4.954 10.280 7.478 1.00 0.00 C ATOM 1048 O ARG A 65 4.628 9.657 6.469 1.00 0.00 O ATOM 1049 CB ARG A 65 7.292 10.889 8.100 1.00 0.00 C ATOM 1050 CG ARG A 65 8.504 11.715 7.667 1.00 0.00 C ATOM 1051 CD ARG A 65 9.319 12.171 8.879 1.00 0.00 C ATOM 1052 NE ARG A 65 10.760 12.184 8.545 1.00 0.00 N ATOM 1053 CZ ARG A 65 11.750 12.163 9.462 1.00 0.00 C ATOM 1054 NH1 ARG A 65 11.462 12.129 10.781 1.00 0.00 N ATOM 1055 NH2 ARG A 65 13.004 12.177 9.051 1.00 0.00 N ATOM 0 HA ARG A 65 6.249 11.594 6.361 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.168 10.957 9.181 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.460 9.838 7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.134 11.123 7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.172 12.584 7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.000 13.166 9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.139 11.503 9.721 1.00 0.00 H new ATOM 0 HE ARG A 65 11.022 12.211 7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.490 12.119 11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.216 12.113 11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.213 12.203 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.764 12.162 9.731 1.00 0.00 H new ATOM 1069 N VAL A 66 4.441 10.078 8.683 1.00 0.00 N ATOM 1070 CA VAL A 66 3.419 9.069 8.902 1.00 0.00 C ATOM 1071 C VAL A 66 2.427 9.093 7.738 1.00 0.00 C ATOM 1072 O VAL A 66 2.123 8.054 7.154 1.00 0.00 O ATOM 1073 CB VAL A 66 2.752 9.285 10.261 1.00 0.00 C ATOM 1074 CG1 VAL A 66 3.724 8.982 11.403 1.00 0.00 C ATOM 1075 CG2 VAL A 66 2.194 10.705 10.378 1.00 0.00 C ATOM 0 H VAL A 66 4.714 10.596 9.518 1.00 0.00 H new ATOM 0 HA VAL A 66 3.864 8.074 8.929 1.00 0.00 H new ATOM 0 HB VAL A 66 1.917 8.589 10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.225 9.144 12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.052 7.945 11.336 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.589 9.642 11.330 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.725 10.832 11.354 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.005 11.425 10.269 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.454 10.871 9.595 1.00 0.00 H new ATOM 1085 N ALA A 67 1.948 10.291 7.435 1.00 0.00 N ATOM 1086 CA ALA A 67 0.996 10.465 6.351 1.00 0.00 C ATOM 1087 C ALA A 67 1.641 10.025 5.036 1.00 0.00 C ATOM 1088 O ALA A 67 1.147 9.115 4.372 1.00 0.00 O ATOM 1089 CB ALA A 67 0.527 11.920 6.312 1.00 0.00 C ATOM 0 H ALA A 67 2.202 11.151 7.922 1.00 0.00 H new ATOM 0 HA ALA A 67 0.115 9.843 6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.187 12.050 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.050 12.174 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.384 12.574 6.151 1.00 0.00 H new ATOM 1095 N ALA A 68 2.736 10.691 4.699 1.00 0.00 N ATOM 1096 CA ALA A 68 3.454 10.380 3.474 1.00 0.00 C ATOM 1097 C ALA A 68 3.535 8.861 3.307 1.00 0.00 C ATOM 1098 O ALA A 68 2.937 8.301 2.390 1.00 0.00 O ATOM 1099 CB ALA A 68 4.835 11.037 3.511 1.00 0.00 C ATOM 0 H ALA A 68 3.143 11.445 5.253 1.00 0.00 H new ATOM 0 HA ALA A 68 2.926 10.779 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.374 10.804 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.722 12.117 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.395 10.659 4.366 1.00 0.00 H new ATOM 1105 N GLN A 69 4.279 8.238 4.209 1.00 0.00 N ATOM 1106 CA GLN A 69 4.447 6.795 4.173 1.00 0.00 C ATOM 1107 C GLN A 69 3.098 6.110 3.942 1.00 0.00 C ATOM 1108 O GLN A 69 2.868 5.526 2.885 1.00 0.00 O ATOM 1109 CB GLN A 69 5.107 6.287 5.456 1.00 0.00 C ATOM 1110 CG GLN A 69 5.476 4.808 5.335 1.00 0.00 C ATOM 1111 CD GLN A 69 6.469 4.399 6.425 1.00 0.00 C ATOM 1112 OE1 GLN A 69 6.617 5.055 7.443 1.00 0.00 O ATOM 1113 NE2 GLN A 69 7.138 3.282 6.156 1.00 0.00 N ATOM 0 H GLN A 69 4.772 8.706 4.969 1.00 0.00 H new ATOM 0 HA GLN A 69 5.107 6.546 3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.002 6.873 5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.430 6.429 6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.576 4.198 5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.909 4.617 4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.965 2.781 5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.824 2.926 6.821 1.00 0.00 H new ATOM 1122 N ALA A 70 2.242 6.205 4.949 1.00 0.00 N ATOM 1123 CA ALA A 70 0.923 5.602 4.869 1.00 0.00 C ATOM 1124 C ALA A 70 0.353 5.816 3.465 1.00 0.00 C ATOM 1125 O ALA A 70 -0.425 4.998 2.976 1.00 0.00 O ATOM 1126 CB ALA A 70 0.024 6.192 5.958 1.00 0.00 C ATOM 0 H ALA A 70 2.437 6.691 5.825 1.00 0.00 H new ATOM 0 HA ALA A 70 0.982 4.527 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.966 5.739 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.457 5.988 6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.061 7.269 5.816 1.00 0.00 H new ATOM 1132 N CYS A 71 0.764 6.918 2.856 1.00 0.00 N ATOM 1133 CA CYS A 71 0.305 7.249 1.518 1.00 0.00 C ATOM 1134 C CYS A 71 0.933 6.259 0.535 1.00 0.00 C ATOM 1135 O CYS A 71 0.241 5.407 -0.021 1.00 0.00 O ATOM 1136 CB CYS A 71 0.628 8.699 1.151 1.00 0.00 C ATOM 1137 SG CYS A 71 -0.808 9.470 0.319 1.00 0.00 S ATOM 0 H CYS A 71 1.410 7.593 3.265 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.781 7.165 1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.883 9.262 2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.499 8.732 0.496 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.523 10.701 0.014 1.00 0.00 H new ATOM 1143 N ALA A 72 2.237 6.403 0.351 1.00 0.00 N ATOM 1144 CA ALA A 72 2.966 5.531 -0.554 1.00 0.00 C ATOM 1145 C ALA A 72 2.606 4.075 -0.253 1.00 0.00 C ATOM 1146 O ALA A 72 2.047 3.381 -1.101 1.00 0.00 O ATOM 1147 CB ALA A 72 4.466 5.800 -0.425 1.00 0.00 C ATOM 0 H ALA A 72 2.808 7.111 0.813 1.00 0.00 H new ATOM 0 HA ALA A 72 2.687 5.732 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.013 5.146 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.672 6.840 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.784 5.606 0.600 1.00 0.00 H new ATOM 1153 N VAL A 73 2.943 3.654 0.958 1.00 0.00 N ATOM 1154 CA VAL A 73 2.662 2.293 1.381 1.00 0.00 C ATOM 1155 C VAL A 73 1.193 1.968 1.102 1.00 0.00 C ATOM 1156 O VAL A 73 0.889 1.119 0.267 1.00 0.00 O ATOM 1157 CB VAL A 73 3.046 2.113 2.851 1.00 0.00 C ATOM 1158 CG1 VAL A 73 2.476 0.808 3.411 1.00 0.00 C ATOM 1159 CG2 VAL A 73 4.564 2.170 3.033 1.00 0.00 C ATOM 0 H VAL A 73 3.408 4.231 1.659 1.00 0.00 H new ATOM 0 HA VAL A 73 3.264 1.584 0.812 1.00 0.00 H new ATOM 0 HB VAL A 73 2.610 2.938 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.764 0.705 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.389 0.823 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.869 -0.034 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.809 2.039 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.030 1.375 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.935 3.136 2.691 1.00 0.00 H new ATOM 1169 N GLY A 74 0.321 2.663 1.818 1.00 0.00 N ATOM 1170 CA GLY A 74 -1.109 2.459 1.659 1.00 0.00 C ATOM 1171 C GLY A 74 -1.481 2.322 0.181 1.00 0.00 C ATOM 1172 O GLY A 74 -2.473 1.678 -0.156 1.00 0.00 O ATOM 0 H GLY A 74 0.577 3.368 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.415 1.563 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.651 3.297 2.098 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.666 2.939 -0.662 1.00 0.00 N ATOM 1177 CA ALA A 75 -0.897 2.894 -2.095 1.00 0.00 C ATOM 1178 C ALA A 75 -0.527 1.507 -2.624 1.00 0.00 C ATOM 1179 O ALA A 75 -1.401 0.733 -3.011 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.101 4.009 -2.777 1.00 0.00 C ATOM 0 H ALA A 75 0.156 3.473 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.951 3.062 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.275 3.975 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.422 4.975 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.962 3.872 -2.577 1.00 0.00 H new ATOM 1186 N ILE A 76 0.770 1.235 -2.623 1.00 0.00 N ATOM 1187 CA ILE A 76 1.267 -0.045 -3.098 1.00 0.00 C ATOM 1188 C ILE A 76 0.456 -1.172 -2.455 1.00 0.00 C ATOM 1189 O ILE A 76 -0.082 -2.030 -3.152 1.00 0.00 O ATOM 1190 CB ILE A 76 2.773 -0.157 -2.859 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.314 -1.489 -3.383 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.111 0.057 -1.382 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.304 -1.266 -4.528 1.00 0.00 C ATOM 0 H ILE A 76 1.492 1.880 -2.301 1.00 0.00 H new ATOM 0 HA ILE A 76 1.132 -0.130 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 76 3.268 0.635 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.804 -2.030 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.488 -2.111 -3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.188 -0.028 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.781 1.049 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.605 -0.697 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.673 -2.228 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.804 -0.746 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.141 -0.664 -4.173 1.00 0.00 H new ATOM 1205 N MET A 77 0.394 -1.133 -1.132 1.00 0.00 N ATOM 1206 CA MET A 77 -0.342 -2.140 -0.387 1.00 0.00 C ATOM 1207 C MET A 77 -1.780 -2.257 -0.896 1.00 0.00 C ATOM 1208 O MET A 77 -2.196 -3.321 -1.351 1.00 0.00 O ATOM 1209 CB MET A 77 -0.354 -1.770 1.098 1.00 0.00 C ATOM 1210 CG MET A 77 -0.467 -3.019 1.974 1.00 0.00 C ATOM 1211 SD MET A 77 0.308 -2.728 3.555 1.00 0.00 S ATOM 1212 CE MET A 77 1.816 -3.657 3.337 1.00 0.00 C ATOM 0 H MET A 77 0.842 -0.419 -0.557 1.00 0.00 H new ATOM 0 HA MET A 77 0.152 -3.101 -0.527 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.557 -1.227 1.348 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.190 -1.101 1.303 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.516 -3.280 2.116 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.007 -3.866 1.478 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.423 -3.582 4.239 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.575 -4.703 3.148 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.372 -3.254 2.491 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.499 -1.148 -0.802 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.881 -1.113 -1.247 1.00 0.00 C ATOM 1224 C LEU A 78 -4.013 -1.901 -2.552 1.00 0.00 C ATOM 1225 O LEU A 78 -4.702 -2.918 -2.600 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.375 0.332 -1.349 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.717 0.534 -2.055 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.841 0.761 -1.042 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -5.632 1.667 -3.080 1.00 0.00 C ATOM 0 H LEU A 78 -2.150 -0.267 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.528 -1.596 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.452 0.741 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.619 0.917 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.956 -0.378 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.784 0.902 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.919 -0.105 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.622 1.648 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.599 1.790 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.359 2.594 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.877 1.425 -3.828 1.00 0.00 H new ATOM 1241 N GLY A 79 -3.341 -1.400 -3.578 1.00 0.00 N ATOM 1242 CA GLY A 79 -3.374 -2.044 -4.880 1.00 0.00 C ATOM 1243 C GLY A 79 -3.082 -3.541 -4.759 1.00 0.00 C ATOM 1244 O GLY A 79 -3.946 -4.370 -5.041 1.00 0.00 O ATOM 0 H GLY A 79 -2.771 -0.556 -3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.352 -1.897 -5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.640 -1.579 -5.538 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.862 -3.841 -4.339 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.446 -5.224 -4.177 1.00 0.00 C ATOM 1250 C ALA A 80 -2.595 -6.030 -3.570 1.00 0.00 C ATOM 1251 O ALA A 80 -3.191 -6.872 -4.241 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.179 -5.279 -3.321 1.00 0.00 C ATOM 0 H ALA A 80 -1.148 -3.151 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.206 -5.668 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.133 -6.316 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.616 -4.716 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.382 -4.844 -2.342 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.873 -5.745 -2.306 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.941 -6.433 -1.601 1.00 0.00 C ATOM 1260 C VAL A 81 -5.133 -6.617 -2.542 1.00 0.00 C ATOM 1261 O VAL A 81 -5.513 -7.744 -2.855 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.300 -5.671 -0.323 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.554 -6.257 0.330 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.126 -5.659 0.657 1.00 0.00 C ATOM 0 H VAL A 81 -2.377 -5.047 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.616 -7.426 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.516 -4.639 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.788 -5.698 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.391 -6.189 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.377 -7.302 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.408 -5.111 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.864 -6.683 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.268 -5.174 0.191 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.689 -5.492 -2.968 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.830 -5.515 -3.867 1.00 0.00 C ATOM 1276 C TYR A 82 -6.705 -6.653 -4.882 1.00 0.00 C ATOM 1277 O TYR A 82 -7.556 -7.540 -4.933 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.807 -4.178 -4.612 1.00 0.00 C ATOM 1279 CG TYR A 82 -8.189 -3.680 -5.039 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -9.139 -3.380 -4.085 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.484 -3.531 -6.379 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -10.440 -2.911 -4.488 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.785 -3.061 -6.781 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.698 -2.775 -5.816 1.00 0.00 C ATOM 1285 OH TYR A 82 -11.927 -2.332 -6.196 1.00 0.00 O ATOM 0 H TYR A 82 -5.370 -4.559 -2.707 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.755 -5.667 -3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.342 -3.426 -3.974 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.179 -4.278 -5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.908 -3.497 -3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.740 -3.767 -7.126 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.194 -2.673 -3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.029 -2.939 -7.826 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.969 -2.282 -7.174 1.00 0.00 H new ATOM 1295 N THR A 83 -5.638 -6.590 -5.665 1.00 0.00 N ATOM 1296 CA THR A 83 -5.391 -7.605 -6.676 1.00 0.00 C ATOM 1297 C THR A 83 -5.478 -9.003 -6.061 1.00 0.00 C ATOM 1298 O THR A 83 -6.068 -9.908 -6.648 1.00 0.00 O ATOM 1299 CB THR A 83 -4.037 -7.308 -7.322 1.00 0.00 C ATOM 1300 OG1 THR A 83 -4.240 -6.073 -8.004 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.691 -8.297 -8.437 1.00 0.00 C ATOM 0 H THR A 83 -4.935 -5.852 -5.620 1.00 0.00 H new ATOM 0 HA THR A 83 -6.152 -7.580 -7.456 1.00 0.00 H new ATOM 0 HB THR A 83 -3.258 -7.333 -6.560 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.410 -5.805 -8.450 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.720 -8.041 -8.862 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.654 -9.307 -8.029 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.452 -8.248 -9.216 1.00 0.00 H new ATOM 1309 N MET A 84 -4.882 -9.135 -4.885 1.00 0.00 N ATOM 1310 CA MET A 84 -4.884 -10.408 -4.184 1.00 0.00 C ATOM 1311 C MET A 84 -6.306 -10.813 -3.789 1.00 0.00 C ATOM 1312 O MET A 84 -6.863 -11.759 -4.344 1.00 0.00 O ATOM 1313 CB MET A 84 -4.016 -10.301 -2.928 1.00 0.00 C ATOM 1314 CG MET A 84 -2.766 -11.175 -3.050 1.00 0.00 C ATOM 1315 SD MET A 84 -1.566 -10.380 -4.106 1.00 0.00 S ATOM 1316 CE MET A 84 -0.860 -11.812 -4.904 1.00 0.00 C ATOM 0 H MET A 84 -4.395 -8.382 -4.400 1.00 0.00 H new ATOM 0 HA MET A 84 -4.481 -11.170 -4.851 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.724 -9.263 -2.770 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.594 -10.606 -2.055 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.336 -11.349 -2.064 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.032 -12.150 -3.458 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.086 -11.495 -5.603 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.422 -12.469 -4.152 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.640 -12.348 -5.445 1.00 0.00 H new ATOM 1326 N TYR A 85 -6.852 -10.077 -2.832 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.198 -10.349 -2.356 1.00 0.00 C ATOM 1328 C TYR A 85 -9.139 -10.664 -3.521 1.00 0.00 C ATOM 1329 O TYR A 85 -9.732 -11.740 -3.570 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.669 -9.065 -1.669 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.782 -9.281 -0.641 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -11.059 -9.592 -1.062 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -9.508 -9.166 0.706 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -12.106 -9.795 -0.095 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -10.555 -9.370 1.674 1.00 0.00 C ATOM 1336 CZ TYR A 85 -11.802 -9.675 1.226 1.00 0.00 C ATOM 1337 OH TYR A 85 -12.791 -9.867 2.139 1.00 0.00 O ATOM 0 H TYR A 85 -6.387 -9.293 -2.374 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.202 -11.208 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.818 -8.596 -1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.021 -8.367 -2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.273 -9.683 -2.117 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.508 -8.923 1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.110 -10.037 -0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.354 -9.283 2.732 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.429 -9.751 3.042 1.00 0.00 H new ATOM 1347 N SER A 86 -9.245 -9.706 -4.430 1.00 0.00 N ATOM 1348 CA SER A 86 -10.103 -9.869 -5.591 1.00 0.00 C ATOM 1349 C SER A 86 -9.813 -11.208 -6.273 1.00 0.00 C ATOM 1350 O SER A 86 -10.733 -11.970 -6.566 1.00 0.00 O ATOM 1351 CB SER A 86 -9.913 -8.718 -6.581 1.00 0.00 C ATOM 1352 OG SER A 86 -11.155 -8.249 -7.099 1.00 0.00 O ATOM 0 H SER A 86 -8.751 -8.815 -4.386 1.00 0.00 H new ATOM 0 HA SER A 86 -11.140 -9.857 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.393 -7.897 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.279 -9.048 -7.404 1.00 0.00 H new ATOM 0 HG SER A 86 -10.991 -7.514 -7.726 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.532 -11.453 -6.504 1.00 0.00 N ATOM 1359 CA ASP A 87 -8.110 -12.687 -7.145 1.00 0.00 C ATOM 1360 C ASP A 87 -8.675 -13.879 -6.369 1.00 0.00 C ATOM 1361 O ASP A 87 -9.219 -14.809 -6.963 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.585 -12.809 -7.156 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.926 -12.559 -8.513 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -6.521 -12.818 -9.570 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -4.733 -12.070 -8.458 1.00 0.00 O ATOM 0 H ASP A 87 -7.772 -10.818 -6.259 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.478 -12.677 -8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.174 -12.103 -6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.313 -13.808 -6.816 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.526 -13.812 -5.054 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.014 -14.874 -4.191 1.00 0.00 C ATOM 1372 C TYR A 88 -10.345 -15.428 -4.703 1.00 0.00 C ATOM 1373 O TYR A 88 -10.615 -16.622 -4.576 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.237 -14.233 -2.819 1.00 0.00 C ATOM 1375 CG TYR A 88 -9.031 -15.192 -1.645 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -7.756 -15.572 -1.279 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -10.121 -15.676 -0.950 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -7.562 -16.474 -0.174 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -9.928 -16.578 0.155 1.00 0.00 C ATOM 1380 CZ TYR A 88 -8.658 -16.933 0.489 1.00 0.00 C ATOM 1381 OH TYR A 88 -8.475 -17.785 1.533 1.00 0.00 O ATOM 0 H TYR A 88 -8.074 -13.039 -4.565 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.302 -15.699 -4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.557 -13.388 -2.709 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.250 -13.834 -2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.903 -15.192 -1.822 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -11.119 -15.378 -1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.569 -16.779 0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.772 -16.964 0.706 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.345 -18.029 1.912 1.00 0.00 H new ATOM 1391 N VAL A 89 -11.142 -14.536 -5.272 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.438 -14.921 -5.804 1.00 0.00 C ATOM 1393 C VAL A 89 -12.289 -16.211 -6.613 1.00 0.00 C ATOM 1394 O VAL A 89 -11.546 -16.251 -7.593 1.00 0.00 O ATOM 1395 CB VAL A 89 -13.033 -13.770 -6.618 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -14.276 -14.226 -7.385 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.352 -12.572 -5.721 1.00 0.00 C ATOM 0 H VAL A 89 -10.915 -13.547 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.138 -15.124 -4.994 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.286 -13.454 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -14.679 -13.389 -7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.007 -15.033 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -15.028 -14.581 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.774 -11.768 -6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -14.072 -12.870 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.438 -12.224 -5.240 1.00 0.00 H new