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 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 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.862 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=-0.000793 X(o=-0.00079,f=-0.077) 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 -37:sc= 0.214 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 7.211 -2.850 -10.677 1.00 0.00 N ATOM 245 CA CYS A 16 5.969 -3.455 -10.227 1.00 0.00 C ATOM 246 C CYS A 16 6.214 -4.094 -8.858 1.00 0.00 C ATOM 247 O CYS A 16 5.822 -3.541 -7.832 1.00 0.00 O ATOM 248 CB CYS A 16 5.432 -4.466 -11.241 1.00 0.00 C ATOM 249 SG CYS A 16 4.407 -3.613 -12.494 1.00 0.00 S ATOM 0 HA CYS A 16 5.200 -2.688 -10.136 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.261 -4.981 -11.727 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.840 -5.226 -10.731 1.00 0.00 H new ATOM 0 HG CYS A 16 3.958 -4.481 -13.351 1.00 0.00 H new ATOM 255 N VAL A 17 6.861 -5.249 -8.888 1.00 0.00 N ATOM 256 CA VAL A 17 7.163 -5.970 -7.663 1.00 0.00 C ATOM 257 C VAL A 17 8.556 -6.592 -7.772 1.00 0.00 C ATOM 258 O VAL A 17 9.418 -6.346 -6.930 1.00 0.00 O ATOM 259 CB VAL A 17 6.068 -7.000 -7.378 1.00 0.00 C ATOM 260 CG1 VAL A 17 5.806 -7.875 -8.606 1.00 0.00 C ATOM 261 CG2 VAL A 17 6.424 -7.856 -6.161 1.00 0.00 C ATOM 0 H VAL A 17 7.185 -5.704 -9.742 1.00 0.00 H new ATOM 0 HA VAL A 17 7.178 -5.288 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 17 5.150 -6.459 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.024 -8.599 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.488 -7.248 -9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.720 -8.403 -8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.629 -8.580 -5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.359 -8.383 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.537 -7.216 -5.286 1.00 0.00 H new ATOM 271 N SER A 18 8.734 -7.387 -8.818 1.00 0.00 N ATOM 272 CA SER A 18 10.008 -8.046 -9.048 1.00 0.00 C ATOM 273 C SER A 18 10.455 -8.779 -7.781 1.00 0.00 C ATOM 274 O SER A 18 9.734 -8.798 -6.785 1.00 0.00 O ATOM 275 CB SER A 18 11.077 -7.043 -9.486 1.00 0.00 C ATOM 276 OG SER A 18 11.519 -7.282 -10.819 1.00 0.00 O ATOM 0 H SER A 18 8.017 -7.589 -9.515 1.00 0.00 H new ATOM 0 HA SER A 18 9.877 -8.770 -9.852 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.677 -6.032 -9.413 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.927 -7.100 -8.806 1.00 0.00 H new ATOM 0 HG SER A 18 12.200 -6.620 -11.062 1.00 0.00 H new ATOM 282 N GLU A 19 11.641 -9.363 -7.861 1.00 0.00 N ATOM 283 CA GLU A 19 12.193 -10.095 -6.734 1.00 0.00 C ATOM 284 C GLU A 19 12.442 -9.148 -5.558 1.00 0.00 C ATOM 285 O GLU A 19 12.531 -9.587 -4.412 1.00 0.00 O ATOM 286 CB GLU A 19 13.477 -10.826 -7.130 1.00 0.00 C ATOM 287 CG GLU A 19 13.199 -12.302 -7.422 1.00 0.00 C ATOM 288 CD GLU A 19 13.109 -13.110 -6.125 1.00 0.00 C ATOM 289 OE1 GLU A 19 12.430 -12.688 -5.178 1.00 0.00 O ATOM 290 OE2 GLU A 19 13.776 -14.214 -6.124 1.00 0.00 O ATOM 0 H GLU A 19 12.236 -9.344 -8.690 1.00 0.00 H new ATOM 0 HA GLU A 19 11.467 -10.847 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.912 -10.353 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.210 -10.742 -6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.267 -12.397 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.990 -12.707 -8.053 1.00 0.00 H new ATOM 297 N LYS A 20 12.547 -7.868 -5.881 1.00 0.00 N ATOM 298 CA LYS A 20 12.784 -6.856 -4.866 1.00 0.00 C ATOM 299 C LYS A 20 11.652 -6.898 -3.837 1.00 0.00 C ATOM 300 O LYS A 20 11.868 -7.277 -2.687 1.00 0.00 O ATOM 301 CB LYS A 20 12.976 -5.483 -5.512 1.00 0.00 C ATOM 302 CG LYS A 20 14.456 -5.207 -5.785 1.00 0.00 C ATOM 303 CD LYS A 20 14.886 -3.870 -5.177 1.00 0.00 C ATOM 304 CE LYS A 20 15.675 -3.037 -6.189 1.00 0.00 C ATOM 305 NZ LYS A 20 17.115 -3.370 -6.125 1.00 0.00 N ATOM 0 H LYS A 20 12.472 -7.508 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 20 13.711 -7.063 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.415 -5.435 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.573 -4.710 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.062 -6.012 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.635 -5.196 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.006 -3.315 -4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.497 -4.048 -4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.297 -3.223 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.532 -1.976 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.635 -2.795 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.475 -3.171 -5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.248 -4.378 -6.342 1.00 0.00 H new ATOM 319 N LEU A 21 10.470 -6.504 -4.288 1.00 0.00 N ATOM 320 CA LEU A 21 9.305 -6.492 -3.420 1.00 0.00 C ATOM 321 C LEU A 21 9.008 -7.918 -2.952 1.00 0.00 C ATOM 322 O LEU A 21 8.665 -8.135 -1.791 1.00 0.00 O ATOM 323 CB LEU A 21 8.124 -5.815 -4.119 1.00 0.00 C ATOM 324 CG LEU A 21 8.112 -4.286 -4.087 1.00 0.00 C ATOM 325 CD1 LEU A 21 7.804 -3.770 -2.680 1.00 0.00 C ATOM 326 CD2 LEU A 21 9.422 -3.715 -4.633 1.00 0.00 C ATOM 0 H LEU A 21 10.294 -6.191 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 21 9.501 -5.898 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.111 -6.137 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.202 -6.175 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 21 7.312 -3.937 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.801 -2.680 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.826 -4.134 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.565 -4.128 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.387 -2.626 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.255 -4.070 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.559 -4.041 -5.664 1.00 0.00 H new ATOM 338 N LEU A 22 9.150 -8.853 -3.880 1.00 0.00 N ATOM 339 CA LEU A 22 8.901 -10.252 -3.577 1.00 0.00 C ATOM 340 C LEU A 22 9.634 -10.628 -2.288 1.00 0.00 C ATOM 341 O LEU A 22 9.003 -10.874 -1.261 1.00 0.00 O ATOM 342 CB LEU A 22 9.270 -11.133 -4.773 1.00 0.00 C ATOM 343 CG LEU A 22 8.577 -12.495 -4.841 1.00 0.00 C ATOM 344 CD1 LEU A 22 9.244 -13.497 -3.896 1.00 0.00 C ATOM 345 CD2 LEU A 22 7.077 -12.362 -4.570 1.00 0.00 C ATOM 0 H LEU A 22 9.434 -8.669 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 22 7.839 -10.421 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.041 -10.585 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.348 -11.296 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 22 8.687 -12.884 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.732 -14.457 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.289 -13.622 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.186 -13.126 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.609 -13.345 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.923 -11.941 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.629 -11.705 -5.316 1.00 0.00 H new ATOM 357 N ARG A 23 10.955 -10.661 -2.383 1.00 0.00 N ATOM 358 CA ARG A 23 11.780 -11.003 -1.237 1.00 0.00 C ATOM 359 C ARG A 23 11.398 -10.140 -0.032 1.00 0.00 C ATOM 360 O ARG A 23 11.332 -10.634 1.093 1.00 0.00 O ATOM 361 CB ARG A 23 13.264 -10.803 -1.547 1.00 0.00 C ATOM 362 CG ARG A 23 13.953 -12.143 -1.817 1.00 0.00 C ATOM 363 CD ARG A 23 15.408 -12.116 -1.346 1.00 0.00 C ATOM 364 NE ARG A 23 15.629 -13.163 -0.324 1.00 0.00 N ATOM 365 CZ ARG A 23 15.474 -14.485 -0.549 1.00 0.00 C ATOM 366 NH1 ARG A 23 15.096 -14.934 -1.764 1.00 0.00 N ATOM 367 NH2 ARG A 23 15.698 -15.332 0.438 1.00 0.00 N ATOM 0 H ARG A 23 11.475 -10.456 -3.236 1.00 0.00 H new ATOM 0 HA ARG A 23 11.607 -12.054 -1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.374 -10.152 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.750 -10.302 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.416 -12.942 -1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.916 -12.367 -2.883 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.076 -12.276 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.647 -11.136 -0.932 1.00 0.00 H new ATOM 0 HE ARG A 23 15.916 -12.867 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.925 -14.273 -2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.981 -15.935 -1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.983 -14.984 1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.586 -16.334 0.285 1.00 0.00 H new ATOM 381 N LYS A 24 11.156 -8.867 -0.308 1.00 0.00 N ATOM 382 CA LYS A 24 10.782 -7.932 0.739 1.00 0.00 C ATOM 383 C LYS A 24 9.677 -8.550 1.598 1.00 0.00 C ATOM 384 O LYS A 24 9.865 -8.768 2.794 1.00 0.00 O ATOM 385 CB LYS A 24 10.407 -6.576 0.138 1.00 0.00 C ATOM 386 CG LYS A 24 11.269 -5.458 0.727 1.00 0.00 C ATOM 387 CD LYS A 24 10.442 -4.192 0.959 1.00 0.00 C ATOM 388 CE LYS A 24 10.798 -3.543 2.298 1.00 0.00 C ATOM 389 NZ LYS A 24 9.918 -2.382 2.560 1.00 0.00 N ATOM 0 H LYS A 24 11.212 -8.461 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 24 11.629 -7.740 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.534 -6.606 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.354 -6.368 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.706 -5.789 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.096 -5.238 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.619 -3.484 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.380 -4.438 0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.696 -4.273 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.840 -3.223 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.172 -1.953 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.035 -1.680 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.927 -2.697 2.590 1.00 0.00 H new ATOM 403 N THR A 25 8.549 -8.815 0.955 1.00 0.00 N ATOM 404 CA THR A 25 7.414 -9.404 1.646 1.00 0.00 C ATOM 405 C THR A 25 6.802 -10.526 0.805 1.00 0.00 C ATOM 406 O THR A 25 6.531 -10.341 -0.381 1.00 0.00 O ATOM 407 CB THR A 25 6.427 -8.282 1.973 1.00 0.00 C ATOM 408 OG1 THR A 25 7.042 -7.581 3.051 1.00 0.00 O ATOM 409 CG2 THR A 25 5.120 -8.808 2.569 1.00 0.00 C ATOM 0 H THR A 25 8.397 -8.633 -0.037 1.00 0.00 H new ATOM 0 HA THR A 25 7.719 -9.872 2.582 1.00 0.00 H new ATOM 0 HB THR A 25 6.211 -7.714 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.469 -6.835 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.455 -7.971 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.640 -9.480 1.858 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.332 -9.348 3.492 1.00 0.00 H new ATOM 417 N ARG A 26 6.602 -11.665 1.452 1.00 0.00 N ATOM 418 CA ARG A 26 6.027 -12.817 0.779 1.00 0.00 C ATOM 419 C ARG A 26 5.892 -13.988 1.754 1.00 0.00 C ATOM 420 O ARG A 26 6.493 -13.980 2.827 1.00 0.00 O ATOM 421 CB ARG A 26 6.889 -13.247 -0.409 1.00 0.00 C ATOM 422 CG ARG A 26 6.020 -13.759 -1.560 1.00 0.00 C ATOM 423 CD ARG A 26 5.009 -12.697 -1.998 1.00 0.00 C ATOM 424 NE ARG A 26 3.676 -13.003 -1.432 1.00 0.00 N ATOM 425 CZ ARG A 26 2.681 -12.100 -1.307 1.00 0.00 C ATOM 426 NH1 ARG A 26 2.861 -10.823 -1.706 1.00 0.00 N ATOM 427 NH2 ARG A 26 1.530 -12.483 -0.787 1.00 0.00 N ATOM 0 H ARG A 26 6.828 -11.814 2.435 1.00 0.00 H new ATOM 0 HA ARG A 26 5.041 -12.530 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.491 -12.405 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.582 -14.028 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.653 -14.034 -2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.493 -14.661 -1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.337 -11.712 -1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.952 -12.664 -3.086 1.00 0.00 H new ATOM 0 HE ARG A 26 3.498 -13.957 -1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.754 -10.535 -2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.104 -10.147 -1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.403 -13.449 -0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.768 -11.813 -0.686 1.00 0.00 H new ATOM 441 N GLU A 27 5.100 -14.969 1.345 1.00 0.00 N ATOM 442 CA GLU A 27 4.879 -16.145 2.169 1.00 0.00 C ATOM 443 C GLU A 27 4.118 -15.766 3.441 1.00 0.00 C ATOM 444 O GLU A 27 3.880 -14.587 3.698 1.00 0.00 O ATOM 445 CB GLU A 27 6.202 -16.835 2.506 1.00 0.00 C ATOM 446 CG GLU A 27 6.497 -17.967 1.520 1.00 0.00 C ATOM 447 CD GLU A 27 5.411 -19.043 1.581 1.00 0.00 C ATOM 448 OE1 GLU A 27 5.050 -19.499 2.677 1.00 0.00 O ATOM 449 OE2 GLU A 27 4.937 -19.405 0.437 1.00 0.00 O ATOM 0 H GLU A 27 4.604 -14.973 0.454 1.00 0.00 H new ATOM 0 HA GLU A 27 4.273 -16.852 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.013 -16.107 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.161 -17.233 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.560 -17.566 0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.466 -18.410 1.749 1.00 0.00 H new ATOM 456 N SER A 28 3.757 -16.789 4.203 1.00 0.00 N ATOM 457 CA SER A 28 3.028 -16.578 5.442 1.00 0.00 C ATOM 458 C SER A 28 1.556 -16.293 5.141 1.00 0.00 C ATOM 459 O SER A 28 1.197 -16.002 4.001 1.00 0.00 O ATOM 460 CB SER A 28 3.636 -15.430 6.251 1.00 0.00 C ATOM 461 OG SER A 28 3.922 -15.815 7.593 1.00 0.00 O ATOM 0 H SER A 28 3.956 -17.766 3.986 1.00 0.00 H new ATOM 0 HA SER A 28 3.101 -17.486 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.553 -15.092 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.947 -14.585 6.255 1.00 0.00 H new ATOM 0 HG SER A 28 4.310 -15.055 8.076 1.00 0.00 H new ATOM 467 N PRO A 29 0.721 -16.389 6.210 1.00 0.00 N ATOM 468 CA PRO A 29 -0.705 -16.144 6.071 1.00 0.00 C ATOM 469 C PRO A 29 -0.994 -14.648 5.936 1.00 0.00 C ATOM 470 O PRO A 29 -0.430 -13.835 6.666 1.00 0.00 O ATOM 471 CB PRO A 29 -1.332 -16.761 7.311 1.00 0.00 C ATOM 472 CG PRO A 29 -0.203 -16.914 8.317 1.00 0.00 C ATOM 473 CD PRO A 29 1.111 -16.731 7.575 1.00 0.00 C ATOM 0 HA PRO A 29 -1.122 -16.587 5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.124 -16.124 7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.784 -17.726 7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.298 -16.175 9.113 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.242 -17.896 8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.713 -15.941 8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.710 -17.641 7.600 1.00 0.00 H new ATOM 481 N LEU A 30 -1.872 -14.331 4.996 1.00 0.00 N ATOM 482 CA LEU A 30 -2.243 -12.947 4.755 1.00 0.00 C ATOM 483 C LEU A 30 -3.558 -12.642 5.476 1.00 0.00 C ATOM 484 O LEU A 30 -3.874 -11.482 5.736 1.00 0.00 O ATOM 485 CB LEU A 30 -2.284 -12.656 3.253 1.00 0.00 C ATOM 486 CG LEU A 30 -3.536 -13.129 2.513 1.00 0.00 C ATOM 487 CD1 LEU A 30 -4.262 -11.954 1.856 1.00 0.00 C ATOM 488 CD2 LEU A 30 -3.194 -14.227 1.504 1.00 0.00 C ATOM 0 H LEU A 30 -2.337 -15.009 4.392 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.490 -12.275 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.185 -11.580 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.414 -13.121 2.789 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.220 -13.563 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.148 -12.318 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.559 -11.236 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.597 -11.469 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.102 -14.546 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.482 -13.842 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.755 -15.077 2.026 1.00 0.00 H new ATOM 500 N VAL A 31 -4.289 -13.705 5.779 1.00 0.00 N ATOM 501 CA VAL A 31 -5.562 -13.566 6.465 1.00 0.00 C ATOM 502 C VAL A 31 -5.372 -12.704 7.714 1.00 0.00 C ATOM 503 O VAL A 31 -6.102 -11.735 7.921 1.00 0.00 O ATOM 504 CB VAL A 31 -6.143 -14.948 6.776 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.712 -14.997 8.195 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.203 -15.341 5.745 1.00 0.00 C ATOM 0 H VAL A 31 -4.024 -14.666 5.562 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.286 -13.059 5.827 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.332 -15.674 6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.118 -15.989 8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.920 -14.782 8.912 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.504 -14.255 8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.600 -16.327 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.012 -14.611 5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.753 -15.366 4.752 1.00 0.00 H new ATOM 516 N PRO A 32 -4.362 -13.096 8.536 1.00 0.00 N ATOM 517 CA PRO A 32 -4.067 -12.369 9.759 1.00 0.00 C ATOM 518 C PRO A 32 -3.354 -11.050 9.455 1.00 0.00 C ATOM 519 O PRO A 32 -3.829 -9.981 9.835 1.00 0.00 O ATOM 520 CB PRO A 32 -3.223 -13.323 10.589 1.00 0.00 C ATOM 521 CG PRO A 32 -2.689 -14.362 9.617 1.00 0.00 C ATOM 522 CD PRO A 32 -3.477 -14.237 8.323 1.00 0.00 C ATOM 0 HA PRO A 32 -4.966 -12.077 10.302 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.407 -12.794 11.082 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.819 -13.791 11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.626 -14.203 9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.794 -15.364 10.033 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.817 -14.072 7.472 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.044 -15.144 8.116 1.00 0.00 H new ATOM 530 N ILE A 33 -2.224 -11.169 8.772 1.00 0.00 N ATOM 531 CA ILE A 33 -1.441 -9.999 8.412 1.00 0.00 C ATOM 532 C ILE A 33 -2.364 -8.937 7.812 1.00 0.00 C ATOM 533 O ILE A 33 -2.379 -7.794 8.266 1.00 0.00 O ATOM 534 CB ILE A 33 -0.280 -10.393 7.497 1.00 0.00 C ATOM 535 CG1 ILE A 33 0.765 -11.213 8.257 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.334 -9.161 6.828 1.00 0.00 C ATOM 537 CD1 ILE A 33 1.730 -11.902 7.291 1.00 0.00 C ATOM 0 H ILE A 33 -1.833 -12.057 8.459 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.984 -9.559 9.298 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.672 -11.029 6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.322 -10.563 8.931 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.267 -11.961 8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.157 -9.469 6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.425 -8.655 6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.708 -8.480 7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.462 -12.478 7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.172 -12.570 6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.244 -11.150 6.692 1.00 0.00 H new ATOM 549 N GLY A 34 -3.112 -9.353 6.800 1.00 0.00 N ATOM 550 CA GLY A 34 -4.036 -8.451 6.133 1.00 0.00 C ATOM 551 C GLY A 34 -5.137 -7.988 7.090 1.00 0.00 C ATOM 552 O GLY A 34 -5.502 -6.814 7.101 1.00 0.00 O ATOM 0 H GLY A 34 -3.097 -10.302 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.494 -7.586 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.483 -8.952 5.274 1.00 0.00 H new ATOM 556 N LEU A 35 -5.637 -8.936 7.869 1.00 0.00 N ATOM 557 CA LEU A 35 -6.689 -8.641 8.826 1.00 0.00 C ATOM 558 C LEU A 35 -6.277 -7.435 9.674 1.00 0.00 C ATOM 559 O LEU A 35 -7.018 -6.458 9.770 1.00 0.00 O ATOM 560 CB LEU A 35 -7.028 -9.884 9.650 1.00 0.00 C ATOM 561 CG LEU A 35 -7.748 -9.634 10.977 1.00 0.00 C ATOM 562 CD1 LEU A 35 -8.963 -10.553 11.124 1.00 0.00 C ATOM 563 CD2 LEU A 35 -6.784 -9.766 12.157 1.00 0.00 C ATOM 0 H LEU A 35 -5.333 -9.909 7.857 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.609 -8.369 8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.649 -10.541 9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.103 -10.422 9.857 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.118 -8.609 10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.456 -10.355 12.076 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.661 -10.367 10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.638 -11.593 11.094 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.321 -9.584 13.088 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.363 -10.771 12.172 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.980 -9.037 12.053 1.00 0.00 H new ATOM 575 N GLY A 36 -5.098 -7.544 10.267 1.00 0.00 N ATOM 576 CA GLY A 36 -4.579 -6.475 11.103 1.00 0.00 C ATOM 577 C GLY A 36 -4.177 -5.264 10.259 1.00 0.00 C ATOM 578 O GLY A 36 -4.771 -4.194 10.380 1.00 0.00 O ATOM 0 H GLY A 36 -4.487 -8.356 10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.334 -6.180 11.832 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.716 -6.834 11.664 1.00 0.00 H new ATOM 582 N GLY A 37 -3.171 -5.474 9.422 1.00 0.00 N ATOM 583 CA GLY A 37 -2.683 -4.413 8.558 1.00 0.00 C ATOM 584 C GLY A 37 -3.843 -3.601 7.978 1.00 0.00 C ATOM 585 O GLY A 37 -3.689 -2.418 7.679 1.00 0.00 O ATOM 0 H GLY A 37 -2.681 -6.363 9.324 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.021 -3.756 9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.093 -4.841 7.748 1.00 0.00 H new ATOM 589 N CYS A 38 -4.979 -4.269 7.836 1.00 0.00 N ATOM 590 CA CYS A 38 -6.164 -3.624 7.297 1.00 0.00 C ATOM 591 C CYS A 38 -6.814 -2.804 8.413 1.00 0.00 C ATOM 592 O CYS A 38 -7.014 -1.599 8.267 1.00 0.00 O ATOM 593 CB CYS A 38 -7.137 -4.641 6.696 1.00 0.00 C ATOM 594 SG CYS A 38 -8.514 -3.771 5.862 1.00 0.00 S ATOM 0 H CYS A 38 -5.103 -5.250 8.085 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.881 -2.962 6.479 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.615 -5.280 5.984 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.527 -5.290 7.480 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.333 -4.643 5.353 1.00 0.00 H new ATOM 600 N LEU A 39 -7.125 -3.489 9.504 1.00 0.00 N ATOM 601 CA LEU A 39 -7.748 -2.839 10.644 1.00 0.00 C ATOM 602 C LEU A 39 -7.074 -1.487 10.885 1.00 0.00 C ATOM 603 O LEU A 39 -7.750 -0.472 11.049 1.00 0.00 O ATOM 604 CB LEU A 39 -7.729 -3.762 11.864 1.00 0.00 C ATOM 605 CG LEU A 39 -8.592 -3.325 13.049 1.00 0.00 C ATOM 606 CD1 LEU A 39 -10.054 -3.727 12.841 1.00 0.00 C ATOM 607 CD2 LEU A 39 -8.031 -3.867 14.365 1.00 0.00 C ATOM 0 H LEU A 39 -6.957 -4.488 9.622 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.800 -2.640 10.441 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.054 -4.754 11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.699 -3.858 12.206 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.563 -2.237 13.110 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.645 -3.404 13.698 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.437 -3.253 11.937 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.123 -4.810 12.740 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.663 -3.542 15.191 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.011 -4.956 14.331 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.019 -3.490 14.512 1.00 0.00 H new ATOM 619 N VAL A 40 -5.749 -1.516 10.900 1.00 0.00 N ATOM 620 CA VAL A 40 -4.976 -0.306 11.119 1.00 0.00 C ATOM 621 C VAL A 40 -5.134 0.621 9.911 1.00 0.00 C ATOM 622 O VAL A 40 -5.502 1.785 10.062 1.00 0.00 O ATOM 623 CB VAL A 40 -3.517 -0.662 11.412 1.00 0.00 C ATOM 624 CG1 VAL A 40 -3.409 -1.550 12.653 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.863 -1.330 10.201 1.00 0.00 C ATOM 0 H VAL A 40 -5.191 -2.359 10.764 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.347 0.231 11.992 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.979 0.264 11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.362 -1.789 12.840 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.820 -1.023 13.514 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.968 -2.472 12.491 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.827 -1.573 10.435 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.403 -2.244 9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.893 -0.650 9.350 1.00 0.00 H new ATOM 635 N VAL A 41 -4.849 0.069 8.741 1.00 0.00 N ATOM 636 CA VAL A 41 -4.955 0.831 7.509 1.00 0.00 C ATOM 637 C VAL A 41 -6.247 1.650 7.530 1.00 0.00 C ATOM 638 O VAL A 41 -6.209 2.875 7.638 1.00 0.00 O ATOM 639 CB VAL A 41 -4.861 -0.107 6.304 1.00 0.00 C ATOM 640 CG1 VAL A 41 -5.550 0.502 5.080 1.00 0.00 C ATOM 641 CG2 VAL A 41 -3.405 -0.459 5.995 1.00 0.00 C ATOM 0 H VAL A 41 -4.545 -0.897 8.620 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.126 1.534 7.422 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.382 -1.030 6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.469 -0.185 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.602 0.678 5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.070 1.447 4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.367 -1.127 5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.850 0.452 5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.959 -0.954 6.858 1.00 0.00 H new ATOM 651 N ALA A 42 -7.361 0.941 7.425 1.00 0.00 N ATOM 652 CA ALA A 42 -8.663 1.586 7.431 1.00 0.00 C ATOM 653 C ALA A 42 -8.725 2.589 8.586 1.00 0.00 C ATOM 654 O ALA A 42 -8.984 3.772 8.372 1.00 0.00 O ATOM 655 CB ALA A 42 -9.760 0.524 7.523 1.00 0.00 C ATOM 0 H ALA A 42 -7.389 -0.075 7.335 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.821 2.138 6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.736 1.009 7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.691 -0.145 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.635 -0.049 8.442 1.00 0.00 H new ATOM 661 N ALA A 43 -8.483 2.078 9.784 1.00 0.00 N ATOM 662 CA ALA A 43 -8.508 2.914 10.972 1.00 0.00 C ATOM 663 C ALA A 43 -7.850 4.259 10.659 1.00 0.00 C ATOM 664 O ALA A 43 -8.354 5.308 11.055 1.00 0.00 O ATOM 665 CB ALA A 43 -7.819 2.182 12.126 1.00 0.00 C ATOM 0 H ALA A 43 -8.269 1.096 9.958 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.535 3.114 11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.838 2.809 13.017 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.343 1.248 12.329 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.785 1.967 11.855 1.00 0.00 H new ATOM 671 N TYR A 44 -6.733 4.184 9.950 1.00 0.00 N ATOM 672 CA TYR A 44 -6.000 5.382 9.578 1.00 0.00 C ATOM 673 C TYR A 44 -6.789 6.215 8.566 1.00 0.00 C ATOM 674 O TYR A 44 -6.863 7.437 8.685 1.00 0.00 O ATOM 675 CB TYR A 44 -4.704 4.899 8.924 1.00 0.00 C ATOM 676 CG TYR A 44 -3.488 5.774 9.233 1.00 0.00 C ATOM 677 CD1 TYR A 44 -3.507 7.118 8.921 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.370 5.219 9.822 1.00 0.00 C ATOM 679 CE1 TYR A 44 -2.362 7.941 9.211 1.00 0.00 C ATOM 680 CE2 TYR A 44 -1.225 6.042 10.113 1.00 0.00 C ATOM 681 CZ TYR A 44 -1.278 7.363 9.793 1.00 0.00 C ATOM 682 OH TYR A 44 -0.196 8.140 10.067 1.00 0.00 O ATOM 0 H TYR A 44 -6.318 3.312 9.623 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.818 6.007 10.452 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.500 3.881 9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.846 4.861 7.844 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.381 7.553 8.459 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.354 4.167 10.065 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.364 8.994 8.972 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.344 5.620 10.575 1.00 0.00 H new ATOM 0 HH TYR A 44 0.503 7.593 10.483 1.00 0.00 H new ATOM 692 N ARG A 45 -7.358 5.521 7.592 1.00 0.00 N ATOM 693 CA ARG A 45 -8.139 6.181 6.559 1.00 0.00 C ATOM 694 C ARG A 45 -9.300 6.955 7.185 1.00 0.00 C ATOM 695 O ARG A 45 -9.431 8.160 6.977 1.00 0.00 O ATOM 696 CB ARG A 45 -8.692 5.168 5.555 1.00 0.00 C ATOM 697 CG ARG A 45 -8.122 5.414 4.157 1.00 0.00 C ATOM 698 CD ARG A 45 -9.128 6.159 3.278 1.00 0.00 C ATOM 699 NE ARG A 45 -8.854 5.883 1.850 1.00 0.00 N ATOM 700 CZ ARG A 45 -9.775 5.985 0.868 1.00 0.00 C ATOM 701 NH1 ARG A 45 -11.041 6.357 1.153 1.00 0.00 N ATOM 702 NH2 ARG A 45 -9.420 5.714 -0.374 1.00 0.00 N ATOM 0 H ARG A 45 -7.294 4.508 7.496 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.479 6.872 6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.445 4.157 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.779 5.237 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.201 5.992 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.863 4.462 3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.142 5.849 3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.066 7.230 3.468 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.910 5.598 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.307 6.563 2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.731 6.432 0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.462 5.432 -0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.104 5.786 -1.127 1.00 0.00 H new ATOM 716 N ILE A 46 -10.114 6.231 7.940 1.00 0.00 N ATOM 717 CA ILE A 46 -11.260 6.835 8.598 1.00 0.00 C ATOM 718 C ILE A 46 -10.795 8.038 9.421 1.00 0.00 C ATOM 719 O ILE A 46 -11.290 9.149 9.238 1.00 0.00 O ATOM 720 CB ILE A 46 -12.022 5.789 9.413 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.570 4.682 8.510 1.00 0.00 C ATOM 722 CG2 ILE A 46 -13.124 6.443 10.251 1.00 0.00 C ATOM 723 CD1 ILE A 46 -12.656 3.353 9.264 1.00 0.00 C ATOM 0 H ILE A 46 -10.002 5.232 8.110 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.970 7.209 7.860 1.00 0.00 H new ATOM 0 HB ILE A 46 -11.323 5.322 10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.558 4.962 8.144 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.927 4.568 7.637 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.651 5.677 10.821 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.680 7.165 10.937 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.827 6.953 9.593 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.048 2.583 8.600 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.663 3.064 9.607 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.318 3.464 10.122 1.00 0.00 H new ATOM 735 N TYR A 47 -9.848 7.775 10.310 1.00 0.00 N ATOM 736 CA TYR A 47 -9.311 8.823 11.162 1.00 0.00 C ATOM 737 C TYR A 47 -8.856 10.025 10.332 1.00 0.00 C ATOM 738 O TYR A 47 -9.032 11.171 10.745 1.00 0.00 O ATOM 739 CB TYR A 47 -8.095 8.213 11.863 1.00 0.00 C ATOM 740 CG TYR A 47 -7.605 9.016 13.069 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.094 10.286 12.892 1.00 0.00 C ATOM 742 CD2 TYR A 47 -7.674 8.471 14.335 1.00 0.00 C ATOM 743 CE1 TYR A 47 -6.633 11.042 14.027 1.00 0.00 C ATOM 744 CE2 TYR A 47 -7.212 9.227 15.471 1.00 0.00 C ATOM 745 CZ TYR A 47 -6.715 10.475 15.261 1.00 0.00 C ATOM 746 OH TYR A 47 -6.279 11.189 16.333 1.00 0.00 O ATOM 0 H TYR A 47 -9.439 6.852 10.459 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.068 9.173 11.864 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.345 7.203 12.189 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.281 8.123 11.144 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.040 10.713 11.901 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.074 7.478 14.474 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.231 12.037 13.902 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.259 8.812 16.467 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.399 10.660 17.149 1.00 0.00 H new ATOM 756 N ARG A 48 -8.281 9.724 9.178 1.00 0.00 N ATOM 757 CA ARG A 48 -7.800 10.766 8.286 1.00 0.00 C ATOM 758 C ARG A 48 -8.963 11.646 7.823 1.00 0.00 C ATOM 759 O ARG A 48 -8.869 12.872 7.857 1.00 0.00 O ATOM 760 CB ARG A 48 -7.105 10.166 7.063 1.00 0.00 C ATOM 761 CG ARG A 48 -6.502 11.263 6.182 1.00 0.00 C ATOM 762 CD ARG A 48 -6.576 10.881 4.703 1.00 0.00 C ATOM 763 NE ARG A 48 -6.639 12.102 3.868 1.00 0.00 N ATOM 764 CZ ARG A 48 -7.766 12.812 3.649 1.00 0.00 C ATOM 765 NH1 ARG A 48 -8.936 12.428 4.202 1.00 0.00 N ATOM 766 NH2 ARG A 48 -7.706 13.887 2.885 1.00 0.00 N ATOM 0 H ARG A 48 -8.137 8.773 8.839 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.080 11.370 8.839 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.321 9.481 7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.820 9.582 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.034 12.200 6.346 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.463 11.432 6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.704 10.287 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.454 10.261 4.522 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.777 12.427 3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.973 11.596 4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.783 12.970 4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.818 14.169 2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.548 14.435 2.709 1.00 0.00 H new ATOM 780 N LEU A 49 -10.032 10.986 7.402 1.00 0.00 N ATOM 781 CA LEU A 49 -11.211 11.694 6.933 1.00 0.00 C ATOM 782 C LEU A 49 -11.835 12.464 8.098 1.00 0.00 C ATOM 783 O LEU A 49 -11.922 13.691 8.060 1.00 0.00 O ATOM 784 CB LEU A 49 -12.178 10.727 6.247 1.00 0.00 C ATOM 785 CG LEU A 49 -13.107 11.339 5.196 1.00 0.00 C ATOM 786 CD1 LEU A 49 -13.688 10.259 4.281 1.00 0.00 C ATOM 787 CD2 LEU A 49 -14.201 12.181 5.856 1.00 0.00 C ATOM 0 H LEU A 49 -10.106 9.969 7.376 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.939 12.428 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.595 9.938 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.791 10.253 7.013 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.519 12.009 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.344 10.721 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.877 9.740 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.257 9.545 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.848 12.605 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.792 11.552 6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.743 12.987 6.430 1.00 0.00 H new ATOM 799 N ARG A 50 -12.254 11.714 9.105 1.00 0.00 N ATOM 800 CA ARG A 50 -12.868 12.311 10.279 1.00 0.00 C ATOM 801 C ARG A 50 -11.887 13.266 10.963 1.00 0.00 C ATOM 802 O ARG A 50 -10.718 13.335 10.587 1.00 0.00 O ATOM 803 CB ARG A 50 -13.305 11.238 11.279 1.00 0.00 C ATOM 804 CG ARG A 50 -14.751 10.807 11.023 1.00 0.00 C ATOM 805 CD ARG A 50 -14.910 10.230 9.615 1.00 0.00 C ATOM 806 NE ARG A 50 -16.227 9.568 9.486 1.00 0.00 N ATOM 807 CZ ARG A 50 -16.600 8.825 8.422 1.00 0.00 C ATOM 808 NH1 ARG A 50 -15.755 8.641 7.385 1.00 0.00 N ATOM 809 NH2 ARG A 50 -17.802 8.280 8.411 1.00 0.00 N ATOM 0 H ARG A 50 -12.181 10.697 9.133 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.748 12.863 9.948 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.645 10.374 11.202 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.211 11.622 12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.048 10.062 11.761 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.416 11.661 11.147 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.819 11.025 8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.113 9.514 9.414 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.895 9.680 10.249 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.827 9.065 7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.044 8.078 6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.434 8.423 9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.099 7.716 7.615 1.00 0.00 H new ATOM 1045 N ARG A 65 4.012 14.726 4.423 1.00 0.00 N ATOM 1046 CA ARG A 65 5.199 13.923 4.183 1.00 0.00 C ATOM 1047 C ARG A 65 4.984 12.494 4.684 1.00 0.00 C ATOM 1048 O ARG A 65 4.937 11.555 3.892 1.00 0.00 O ATOM 1049 CB ARG A 65 6.420 14.524 4.883 1.00 0.00 C ATOM 1050 CG ARG A 65 7.141 15.518 3.970 1.00 0.00 C ATOM 1051 CD ARG A 65 8.597 15.705 4.404 1.00 0.00 C ATOM 1052 NE ARG A 65 8.776 17.044 5.008 1.00 0.00 N ATOM 1053 CZ ARG A 65 9.808 17.379 5.812 1.00 0.00 C ATOM 1054 NH1 ARG A 65 10.763 16.474 6.116 1.00 0.00 N ATOM 1055 NH2 ARG A 65 9.869 18.606 6.297 1.00 0.00 N ATOM 0 HA ARG A 65 5.380 13.911 3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.108 15.026 5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.106 13.728 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.108 15.162 2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.625 16.478 3.992 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.873 14.933 5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.259 15.593 3.545 1.00 0.00 H new ATOM 0 HE ARG A 65 8.077 17.758 4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.709 15.528 5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.539 16.736 6.724 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.144 19.284 6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.642 18.876 6.906 1.00 0.00 H new ATOM 1069 N VAL A 66 4.859 12.374 5.998 1.00 0.00 N ATOM 1070 CA VAL A 66 4.650 11.075 6.614 1.00 0.00 C ATOM 1071 C VAL A 66 3.410 10.419 6.003 1.00 0.00 C ATOM 1072 O VAL A 66 3.471 9.281 5.540 1.00 0.00 O ATOM 1073 CB VAL A 66 4.559 11.226 8.134 1.00 0.00 C ATOM 1074 CG1 VAL A 66 3.316 12.025 8.532 1.00 0.00 C ATOM 1075 CG2 VAL A 66 4.576 9.860 8.823 1.00 0.00 C ATOM 0 H VAL A 66 4.898 13.155 6.653 1.00 0.00 H new ATOM 0 HA VAL A 66 5.496 10.417 6.416 1.00 0.00 H new ATOM 0 HB VAL A 66 5.436 11.781 8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.275 12.118 9.617 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.363 13.018 8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.423 11.509 8.178 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.510 9.996 9.902 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.727 9.269 8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.503 9.341 8.579 1.00 0.00 H new ATOM 1085 N ALA A 67 2.315 11.164 6.022 1.00 0.00 N ATOM 1086 CA ALA A 67 1.063 10.669 5.476 1.00 0.00 C ATOM 1087 C ALA A 67 1.250 10.353 3.990 1.00 0.00 C ATOM 1088 O ALA A 67 0.599 9.456 3.456 1.00 0.00 O ATOM 1089 CB ALA A 67 -0.043 11.698 5.718 1.00 0.00 C ATOM 0 H ALA A 67 2.269 12.107 6.407 1.00 0.00 H new ATOM 0 HA ALA A 67 0.765 9.747 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.982 11.326 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.156 11.866 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.220 12.636 5.229 1.00 0.00 H new ATOM 1095 N ALA A 68 2.142 11.107 3.365 1.00 0.00 N ATOM 1096 CA ALA A 68 2.423 10.918 1.952 1.00 0.00 C ATOM 1097 C ALA A 68 3.063 9.544 1.743 1.00 0.00 C ATOM 1098 O ALA A 68 2.683 8.811 0.831 1.00 0.00 O ATOM 1099 CB ALA A 68 3.312 12.058 1.451 1.00 0.00 C ATOM 0 H ALA A 68 2.680 11.850 3.811 1.00 0.00 H new ATOM 0 HA ALA A 68 1.501 10.944 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.523 11.916 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.800 13.009 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.248 12.062 2.010 1.00 0.00 H new ATOM 1105 N GLN A 69 4.023 9.237 2.602 1.00 0.00 N ATOM 1106 CA GLN A 69 4.719 7.964 2.523 1.00 0.00 C ATOM 1107 C GLN A 69 3.746 6.810 2.771 1.00 0.00 C ATOM 1108 O GLN A 69 3.802 5.788 2.088 1.00 0.00 O ATOM 1109 CB GLN A 69 5.888 7.916 3.509 1.00 0.00 C ATOM 1110 CG GLN A 69 7.227 8.041 2.778 1.00 0.00 C ATOM 1111 CD GLN A 69 8.337 8.474 3.738 1.00 0.00 C ATOM 1112 OE1 GLN A 69 8.239 9.474 4.430 1.00 0.00 O ATOM 1113 NE2 GLN A 69 9.395 7.668 3.740 1.00 0.00 N ATOM 0 H GLN A 69 4.336 9.848 3.357 1.00 0.00 H new ATOM 0 HA GLN A 69 5.129 7.859 1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.789 8.723 4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.860 6.980 4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.487 7.086 2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.138 8.766 1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.412 6.847 3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.190 7.871 4.346 1.00 0.00 H new ATOM 1122 N ALA A 70 2.875 7.012 3.749 1.00 0.00 N ATOM 1123 CA ALA A 70 1.890 6.001 4.095 1.00 0.00 C ATOM 1124 C ALA A 70 0.846 5.910 2.981 1.00 0.00 C ATOM 1125 O ALA A 70 0.223 4.866 2.793 1.00 0.00 O ATOM 1126 CB ALA A 70 1.268 6.338 5.452 1.00 0.00 C ATOM 0 H ALA A 70 2.831 7.861 4.313 1.00 0.00 H new ATOM 0 HA ALA A 70 2.360 5.022 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.529 5.580 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.047 6.361 6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.784 7.313 5.398 1.00 0.00 H new ATOM 1132 N CYS A 71 0.686 7.018 2.272 1.00 0.00 N ATOM 1133 CA CYS A 71 -0.273 7.076 1.181 1.00 0.00 C ATOM 1134 C CYS A 71 0.270 6.242 0.019 1.00 0.00 C ATOM 1135 O CYS A 71 -0.415 5.352 -0.484 1.00 0.00 O ATOM 1136 CB CYS A 71 -0.565 8.518 0.761 1.00 0.00 C ATOM 1137 SG CYS A 71 -2.323 8.918 1.074 1.00 0.00 S ATOM 0 H CYS A 71 1.204 7.882 2.431 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.227 6.662 1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.077 9.204 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -0.336 8.651 -0.296 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.559 10.145 0.716 1.00 0.00 H new ATOM 1143 N ALA A 72 1.495 6.559 -0.374 1.00 0.00 N ATOM 1144 CA ALA A 72 2.137 5.850 -1.467 1.00 0.00 C ATOM 1145 C ALA A 72 2.250 4.366 -1.110 1.00 0.00 C ATOM 1146 O ALA A 72 1.800 3.506 -1.866 1.00 0.00 O ATOM 1147 CB ALA A 72 3.499 6.485 -1.758 1.00 0.00 C ATOM 0 H ALA A 72 2.060 7.298 0.045 1.00 0.00 H new ATOM 0 HA ALA A 72 1.541 5.926 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.981 5.953 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.361 7.530 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.126 6.425 -0.868 1.00 0.00 H new ATOM 1153 N VAL A 73 2.854 4.111 0.041 1.00 0.00 N ATOM 1154 CA VAL A 73 3.032 2.747 0.507 1.00 0.00 C ATOM 1155 C VAL A 73 1.671 2.050 0.564 1.00 0.00 C ATOM 1156 O VAL A 73 1.516 0.940 0.058 1.00 0.00 O ATOM 1157 CB VAL A 73 3.762 2.744 1.852 1.00 0.00 C ATOM 1158 CG1 VAL A 73 3.745 1.350 2.482 1.00 0.00 C ATOM 1159 CG2 VAL A 73 5.194 3.259 1.700 1.00 0.00 C ATOM 0 H VAL A 73 3.227 4.827 0.665 1.00 0.00 H new ATOM 0 HA VAL A 73 3.656 2.185 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 73 3.232 3.421 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.270 1.376 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.714 1.036 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.239 0.643 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.690 3.246 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.739 2.619 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.175 4.279 1.315 1.00 0.00 H new ATOM 1169 N GLY A 74 0.719 2.731 1.186 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.624 2.192 1.315 1.00 0.00 C ATOM 1171 C GLY A 74 -1.264 1.979 -0.058 1.00 0.00 C ATOM 1172 O GLY A 74 -2.158 1.147 -0.207 1.00 0.00 O ATOM 0 H GLY A 74 0.852 3.651 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.589 1.246 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.238 2.873 1.905 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.782 2.744 -1.025 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.296 2.649 -2.381 1.00 0.00 C ATOM 1178 C ALA A 75 -0.830 1.333 -3.008 1.00 0.00 C ATOM 1179 O ALA A 75 -1.650 0.518 -3.428 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.843 3.870 -3.185 1.00 0.00 C ATOM 0 H ALA A 75 -0.041 3.433 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.386 2.645 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.228 3.799 -4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.224 4.777 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.246 3.905 -3.211 1.00 0.00 H new ATOM 1186 N ILE A 76 0.483 1.167 -3.050 1.00 0.00 N ATOM 1187 CA ILE A 76 1.067 -0.036 -3.618 1.00 0.00 C ATOM 1188 C ILE A 76 0.554 -1.257 -2.853 1.00 0.00 C ATOM 1189 O ILE A 76 0.180 -2.261 -3.457 1.00 0.00 O ATOM 1190 CB ILE A 76 2.593 0.073 -3.651 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.155 0.314 -2.248 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.045 1.148 -4.641 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.682 0.216 -2.245 1.00 0.00 C ATOM 0 H ILE A 76 1.159 1.845 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 76 0.757 -0.156 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 76 2.996 -0.877 -4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.849 1.299 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.739 -0.417 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.134 1.205 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.691 0.894 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.633 2.112 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.056 0.391 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.983 -0.778 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.096 0.965 -2.920 1.00 0.00 H new ATOM 1205 N MET A 77 0.552 -1.131 -1.534 1.00 0.00 N ATOM 1206 CA MET A 77 0.091 -2.212 -0.680 1.00 0.00 C ATOM 1207 C MET A 77 -1.408 -2.457 -0.866 1.00 0.00 C ATOM 1208 O MET A 77 -1.875 -3.588 -0.743 1.00 0.00 O ATOM 1209 CB MET A 77 0.374 -1.863 0.783 1.00 0.00 C ATOM 1210 CG MET A 77 1.681 -2.501 1.256 1.00 0.00 C ATOM 1211 SD MET A 77 2.236 -1.713 2.759 1.00 0.00 S ATOM 1212 CE MET A 77 3.643 -2.741 3.146 1.00 0.00 C ATOM 0 H MET A 77 0.862 -0.297 -1.036 1.00 0.00 H new ATOM 0 HA MET A 77 0.625 -3.121 -0.956 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.431 -0.781 0.898 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.450 -2.207 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.534 -3.567 1.428 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.443 -2.405 0.483 1.00 0.00 H new ATOM 0 HE1 MET A 77 4.112 -2.386 4.064 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.314 -3.771 3.281 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.363 -2.694 2.329 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.119 -1.378 -1.159 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.555 -1.462 -1.364 1.00 0.00 C ATOM 1224 C LEU A 78 -3.838 -2.242 -2.650 1.00 0.00 C ATOM 1225 O LEU A 78 -4.424 -3.323 -2.608 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.182 -0.066 -1.341 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.589 0.047 -1.929 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.606 0.421 -0.849 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -5.616 1.026 -3.104 1.00 0.00 C ATOM 0 H LEU A 78 -1.728 -0.441 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.025 -2.011 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.213 0.280 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.527 0.614 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.876 -0.930 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.598 0.495 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.612 -0.345 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.333 1.380 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.628 1.087 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.300 2.012 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.939 0.677 -3.884 1.00 0.00 H new ATOM 1241 N GLY A 79 -3.409 -1.663 -3.762 1.00 0.00 N ATOM 1242 CA GLY A 79 -3.609 -2.290 -5.057 1.00 0.00 C ATOM 1243 C GLY A 79 -3.149 -3.749 -5.037 1.00 0.00 C ATOM 1244 O GLY A 79 -3.808 -4.620 -5.603 1.00 0.00 O ATOM 0 H GLY A 79 -2.924 -0.766 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.663 -2.241 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.057 -1.741 -5.820 1.00 0.00 H new ATOM 1248 N ALA A 80 -2.021 -3.971 -4.378 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.465 -5.310 -4.276 1.00 0.00 C ATOM 1250 C ALA A 80 -2.490 -6.235 -3.619 1.00 0.00 C ATOM 1251 O ALA A 80 -2.958 -7.189 -4.238 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.146 -5.257 -3.503 1.00 0.00 C ATOM 0 H ALA A 80 -1.477 -3.246 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.247 -5.712 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.271 -6.261 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.558 -4.611 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.326 -4.861 -2.503 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.810 -5.920 -2.372 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.772 -6.711 -1.623 1.00 0.00 C ATOM 1260 C VAL A 81 -5.088 -6.775 -2.400 1.00 0.00 C ATOM 1261 O VAL A 81 -5.910 -7.660 -2.165 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.936 -6.139 -0.214 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -4.728 -4.830 -0.243 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -4.595 -7.158 0.718 1.00 0.00 C ATOM 0 H VAL A 81 -2.420 -5.128 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.415 -7.734 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.942 -5.921 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.830 -4.444 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.202 -4.100 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.717 -5.012 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.700 -6.726 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.579 -7.422 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.976 -8.053 0.774 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.248 -5.825 -3.310 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.451 -5.762 -4.123 1.00 0.00 C ATOM 1276 C TYR A 82 -6.480 -6.897 -5.148 1.00 0.00 C ATOM 1277 O TYR A 82 -7.386 -7.728 -5.135 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.390 -4.424 -4.863 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.739 -3.710 -4.968 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -8.292 -3.112 -3.853 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.403 -3.662 -6.177 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -9.562 -2.440 -3.952 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.672 -2.990 -6.276 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.189 -2.412 -5.158 1.00 0.00 C ATOM 1285 OH TYR A 82 -11.388 -1.777 -5.252 1.00 0.00 O ATOM 0 H TYR A 82 -4.565 -5.093 -3.502 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.341 -5.855 -3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.683 -3.770 -4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.001 -4.593 -5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.772 -3.148 -2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.970 -4.129 -7.049 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.006 -1.969 -3.088 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.202 -2.946 -7.216 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.718 -1.836 -6.173 1.00 0.00 H new ATOM 1295 N THR A 83 -5.476 -6.896 -6.014 1.00 0.00 N ATOM 1296 CA THR A 83 -5.375 -7.915 -7.044 1.00 0.00 C ATOM 1297 C THR A 83 -5.215 -9.299 -6.411 1.00 0.00 C ATOM 1298 O THR A 83 -5.611 -10.304 -6.999 1.00 0.00 O ATOM 1299 CB THR A 83 -4.221 -7.535 -7.974 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.055 -7.734 -7.180 1.00 0.00 O ATOM 1301 CG2 THR A 83 -4.200 -6.040 -8.299 1.00 0.00 C ATOM 0 H THR A 83 -4.726 -6.205 -6.023 1.00 0.00 H new ATOM 0 HA THR A 83 -6.287 -7.968 -7.639 1.00 0.00 H new ATOM 0 HB THR A 83 -4.297 -8.107 -8.899 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.238 -7.462 -6.256 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.362 -5.823 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.132 -5.761 -8.790 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.090 -5.469 -7.377 1.00 0.00 H new ATOM 1309 N MET A 84 -4.632 -9.306 -5.222 1.00 0.00 N ATOM 1310 CA MET A 84 -4.414 -10.550 -4.503 1.00 0.00 C ATOM 1311 C MET A 84 -5.739 -11.145 -4.022 1.00 0.00 C ATOM 1312 O MET A 84 -6.157 -12.201 -4.494 1.00 0.00 O ATOM 1313 CB MET A 84 -3.504 -10.293 -3.300 1.00 0.00 C ATOM 1314 CG MET A 84 -2.607 -11.500 -3.023 1.00 0.00 C ATOM 1315 SD MET A 84 -3.522 -12.751 -2.137 1.00 0.00 S ATOM 1316 CE MET A 84 -3.144 -14.179 -3.138 1.00 0.00 C ATOM 0 H MET A 84 -4.304 -8.470 -4.738 1.00 0.00 H new ATOM 0 HA MET A 84 -3.942 -11.261 -5.181 1.00 0.00 H new ATOM 0 HB2 MET A 84 -2.888 -9.413 -3.487 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.110 -10.077 -2.420 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.233 -11.908 -3.962 1.00 0.00 H new ATOM 0 HG3 MET A 84 -1.739 -11.192 -2.441 1.00 0.00 H new ATOM 0 HE1 MET A 84 -3.640 -15.056 -2.723 1.00 0.00 H new ATOM 0 HE2 MET A 84 -3.494 -14.012 -4.157 1.00 0.00 H new ATOM 0 HE3 MET A 84 -2.066 -14.342 -3.147 1.00 0.00 H new ATOM 1326 N TYR A 85 -6.364 -10.441 -3.089 1.00 0.00 N ATOM 1327 CA TYR A 85 -7.633 -10.886 -2.539 1.00 0.00 C ATOM 1328 C TYR A 85 -8.714 -10.930 -3.621 1.00 0.00 C ATOM 1329 O TYR A 85 -9.696 -11.658 -3.493 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.024 -9.847 -1.486 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.175 -10.284 -0.578 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -10.481 -10.058 -0.963 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -8.907 -10.905 0.625 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -11.565 -10.470 -0.108 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -9.991 -11.316 1.479 1.00 0.00 C ATOM 1336 CZ TYR A 85 -11.266 -11.078 1.071 1.00 0.00 C ATOM 1337 OH TYR A 85 -12.289 -11.467 1.878 1.00 0.00 O ATOM 0 H TYR A 85 -6.015 -9.565 -2.700 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.540 -11.889 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.153 -9.624 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.303 -8.922 -1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.690 -9.573 -1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -7.885 -11.083 0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.592 -10.300 -0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.796 -11.803 2.423 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.927 -11.888 2.685 1.00 0.00 H new ATOM 1347 N SER A 86 -8.496 -10.140 -4.663 1.00 0.00 N ATOM 1348 CA SER A 86 -9.439 -10.079 -5.766 1.00 0.00 C ATOM 1349 C SER A 86 -9.344 -11.354 -6.607 1.00 0.00 C ATOM 1350 O SER A 86 -10.264 -12.171 -6.608 1.00 0.00 O ATOM 1351 CB SER A 86 -9.187 -8.848 -6.639 1.00 0.00 C ATOM 1352 OG SER A 86 -9.976 -8.865 -7.826 1.00 0.00 O ATOM 0 H SER A 86 -7.680 -9.537 -4.766 1.00 0.00 H new ATOM 0 HA SER A 86 -10.444 -9.998 -5.352 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.410 -7.947 -6.068 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.131 -8.803 -6.906 1.00 0.00 H new ATOM 0 HG SER A 86 -9.788 -8.062 -8.355 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.223 -11.485 -7.301 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.996 -12.647 -8.144 1.00 0.00 C ATOM 1360 C ASP A 87 -8.202 -13.918 -7.318 1.00 0.00 C ATOM 1361 O ASP A 87 -8.680 -14.927 -7.835 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.566 -12.662 -8.687 1.00 0.00 C ATOM 1363 CG ASP A 87 -6.346 -11.832 -9.953 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -7.050 -10.841 -10.198 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -5.393 -12.246 -10.717 1.00 0.00 O ATOM 0 H ASP A 87 -7.462 -10.806 -7.297 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.697 -12.602 -8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.895 -12.297 -7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.283 -13.694 -8.894 1.00 0.00 H new ATOM 1370 N TYR A 88 -7.832 -13.828 -6.049 1.00 0.00 N ATOM 1371 CA TYR A 88 -7.970 -14.959 -5.147 1.00 0.00 C ATOM 1372 C TYR A 88 -9.343 -15.616 -5.298 1.00 0.00 C ATOM 1373 O TYR A 88 -9.499 -16.807 -5.032 1.00 0.00 O ATOM 1374 CB TYR A 88 -7.842 -14.389 -3.734 1.00 0.00 C ATOM 1375 CG TYR A 88 -8.436 -15.285 -2.645 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -7.752 -16.408 -2.226 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -9.657 -14.971 -2.082 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -8.311 -17.252 -1.202 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -10.216 -15.815 -1.058 1.00 0.00 C ATOM 1380 CZ TYR A 88 -9.515 -16.914 -0.668 1.00 0.00 C ATOM 1381 OH TYR A 88 -10.043 -17.710 0.299 1.00 0.00 O ATOM 0 H TYR A 88 -7.437 -12.989 -5.624 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.216 -15.716 -5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.788 -14.220 -3.516 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.335 -13.417 -3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.797 -16.654 -2.666 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.193 -14.092 -2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.786 -18.134 -0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.170 -15.581 -0.610 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.906 -17.345 0.588 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.305 -14.811 -5.724 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.661 -15.299 -5.913 1.00 0.00 C ATOM 1393 C VAL A 89 -11.629 -16.556 -6.785 1.00 0.00 C ATOM 1394 O VAL A 89 -10.791 -16.675 -7.678 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.540 -14.190 -6.496 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -12.656 -13.015 -5.523 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.010 -13.727 -7.854 1.00 0.00 C ATOM 0 H VAL A 89 -10.173 -13.824 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.103 -15.577 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.539 -14.599 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.286 -12.241 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.100 -13.359 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.665 -12.607 -5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.653 -12.939 -8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.996 -13.344 -7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.003 -14.568 -8.548 1.00 0.00 H new