USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 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 26 SER OG : rot 180:sc= 0.0876 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -29:sc= 0.235 USER MOD Single : A 35 LYS NZ :NH3+ -98:sc= -0.0419 (180deg=-1.29!) USER MOD Single : A 38 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.34) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0626 F(o=-1,f=-0.063) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 63:sc= 0.667 USER MOD Single : A 58 MET CE :methyl 180:sc= -1.86! (180deg=-1.86!) USER MOD Single : A 60 ASN : amide:sc= -0.0775 X(o=-0.077,f=-0.052) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= -0.123 (180deg=-0.123) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.264 1.587 6.292 1.00 0.00 N ATOM 320 CA VAL A 25 4.867 0.245 5.882 1.00 0.00 C ATOM 321 C VAL A 25 6.042 -0.724 5.965 1.00 0.00 C ATOM 322 O VAL A 25 6.783 -0.901 4.999 1.00 0.00 O ATOM 323 CB VAL A 25 4.311 0.237 4.446 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.722 -1.123 4.109 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.273 1.335 4.269 1.00 0.00 C ATOM 0 HA VAL A 25 4.084 -0.077 6.568 1.00 0.00 H new ATOM 0 HB VAL A 25 5.133 0.432 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.334 -1.109 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.496 -1.886 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.912 -1.351 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.891 1.314 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.451 1.175 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.732 2.304 4.465 1.00 0.00 H new ATOM 335 N SER A 26 6.205 -1.350 7.126 1.00 0.00 N ATOM 336 CA SER A 26 7.289 -2.302 7.335 1.00 0.00 C ATOM 337 C SER A 26 6.989 -3.628 6.644 1.00 0.00 C ATOM 338 O SER A 26 5.920 -3.808 6.062 1.00 0.00 O ATOM 339 CB SER A 26 7.514 -2.531 8.830 1.00 0.00 C ATOM 340 OG SER A 26 6.320 -2.323 9.564 1.00 0.00 O ATOM 0 H SER A 26 5.600 -1.215 7.936 1.00 0.00 H new ATOM 0 HA SER A 26 8.196 -1.883 6.899 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.874 -3.547 8.995 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.289 -1.855 9.192 1.00 0.00 H new ATOM 0 HG SER A 26 6.491 -2.477 10.517 1.00 0.00 H new ATOM 346 N ALA A 27 7.939 -4.555 6.715 1.00 0.00 N ATOM 347 CA ALA A 27 7.776 -5.865 6.097 1.00 0.00 C ATOM 348 C ALA A 27 6.555 -6.588 6.655 1.00 0.00 C ATOM 349 O ALA A 27 5.921 -7.384 5.961 1.00 0.00 O ATOM 350 CB ALA A 27 9.028 -6.704 6.302 1.00 0.00 C ATOM 0 H ALA A 27 8.830 -4.423 7.194 1.00 0.00 H new ATOM 0 HA ALA A 27 7.621 -5.718 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.893 -7.680 5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.882 -6.200 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.208 -6.834 7.369 1.00 0.00 H new ATOM 356 N MET A 28 6.230 -6.308 7.913 1.00 0.00 N ATOM 357 CA MET A 28 5.084 -6.932 8.563 1.00 0.00 C ATOM 358 C MET A 28 3.776 -6.331 8.058 1.00 0.00 C ATOM 359 O MET A 28 2.751 -7.009 8.007 1.00 0.00 O ATOM 360 CB MET A 28 5.182 -6.766 10.082 1.00 0.00 C ATOM 361 CG MET A 28 4.049 -7.438 10.841 1.00 0.00 C ATOM 362 SD MET A 28 4.594 -8.179 12.391 1.00 0.00 S ATOM 363 CE MET A 28 3.489 -9.584 12.502 1.00 0.00 C ATOM 0 H MET A 28 6.744 -5.653 8.502 1.00 0.00 H new ATOM 0 HA MET A 28 5.092 -7.994 8.317 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.132 -7.178 10.424 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.190 -5.703 10.323 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.270 -6.704 11.048 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.602 -8.208 10.212 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.703 -10.144 13.412 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.457 -9.234 12.526 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.634 -10.230 11.636 1.00 0.00 H new ATOM 373 N PHE A 29 3.820 -5.055 7.688 1.00 0.00 N ATOM 374 CA PHE A 29 2.637 -4.364 7.189 1.00 0.00 C ATOM 375 C PHE A 29 2.338 -4.764 5.747 1.00 0.00 C ATOM 376 O PHE A 29 1.179 -4.905 5.359 1.00 0.00 O ATOM 377 CB PHE A 29 2.829 -2.849 7.278 1.00 0.00 C ATOM 378 CG PHE A 29 1.555 -2.072 7.109 1.00 0.00 C ATOM 379 CD1 PHE A 29 0.942 -1.983 5.869 1.00 0.00 C ATOM 380 CD2 PHE A 29 0.970 -1.431 8.190 1.00 0.00 C ATOM 381 CE1 PHE A 29 -0.231 -1.269 5.710 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.204 -0.715 8.037 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.804 -0.635 6.796 1.00 0.00 C ATOM 0 H PHE A 29 4.661 -4.479 7.724 1.00 0.00 H new ATOM 0 HA PHE A 29 1.790 -4.655 7.811 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.270 -2.603 8.244 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.540 -2.536 6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.386 -2.477 5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.436 -1.491 9.163 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.699 -1.207 4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.650 -0.220 8.887 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.721 -0.077 6.674 1.00 0.00 H new ATOM 393 N ILE A 30 3.392 -4.949 4.958 1.00 0.00 N ATOM 394 CA ILE A 30 3.241 -5.335 3.561 1.00 0.00 C ATOM 395 C ILE A 30 2.635 -6.730 3.441 1.00 0.00 C ATOM 396 O ILE A 30 1.741 -6.962 2.627 1.00 0.00 O ATOM 397 CB ILE A 30 4.591 -5.304 2.818 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.268 -3.944 3.001 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.393 -5.606 1.339 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.768 -3.984 2.809 1.00 0.00 C ATOM 0 H ILE A 30 4.359 -4.838 5.263 1.00 0.00 H new ATOM 0 HA ILE A 30 2.570 -4.609 3.102 1.00 0.00 H new ATOM 0 HB ILE A 30 5.237 -6.073 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.838 -3.235 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.048 -3.569 4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.357 -5.580 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.950 -6.595 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.731 -4.859 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.180 -2.985 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.210 -4.667 3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.997 -4.328 1.800 1.00 0.00 H new ATOM 412 N PHE A 31 3.126 -7.655 4.259 1.00 0.00 N ATOM 413 CA PHE A 31 2.630 -9.026 4.246 1.00 0.00 C ATOM 414 C PHE A 31 1.208 -9.092 4.791 1.00 0.00 C ATOM 415 O PHE A 31 0.396 -9.898 4.337 1.00 0.00 O ATOM 416 CB PHE A 31 3.549 -9.931 5.070 1.00 0.00 C ATOM 417 CG PHE A 31 3.115 -11.369 5.091 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.317 -12.183 3.989 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.506 -11.905 6.214 1.00 0.00 C ATOM 420 CE1 PHE A 31 2.919 -13.506 4.006 1.00 0.00 C ATOM 421 CE2 PHE A 31 2.107 -13.228 6.238 1.00 0.00 C ATOM 422 CZ PHE A 31 2.314 -14.030 5.132 1.00 0.00 C ATOM 0 H PHE A 31 3.866 -7.480 4.939 1.00 0.00 H new ATOM 0 HA PHE A 31 2.621 -9.375 3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.560 -9.871 4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.591 -9.558 6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.791 -11.779 3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.341 -11.282 7.081 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.081 -14.130 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.634 -13.634 7.120 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.003 -15.064 5.148 1.00 0.00 H new ATOM 432 N SER A 32 0.914 -8.239 5.766 1.00 0.00 N ATOM 433 CA SER A 32 -0.412 -8.197 6.373 1.00 0.00 C ATOM 434 C SER A 32 -1.393 -7.405 5.511 1.00 0.00 C ATOM 435 O SER A 32 -2.603 -7.454 5.730 1.00 0.00 O ATOM 436 CB SER A 32 -0.334 -7.581 7.771 1.00 0.00 C ATOM 437 OG SER A 32 -1.624 -7.447 8.343 1.00 0.00 O ATOM 0 H SER A 32 1.576 -7.567 6.153 1.00 0.00 H new ATOM 0 HA SER A 32 -0.777 -9.221 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.288 -8.205 8.412 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.145 -6.604 7.715 1.00 0.00 H new ATOM 0 HG SER A 32 -2.287 -7.332 7.631 1.00 0.00 H new ATOM 443 N GLU A 33 -0.868 -6.672 4.530 1.00 0.00 N ATOM 444 CA GLU A 33 -1.706 -5.873 3.643 1.00 0.00 C ATOM 445 C GLU A 33 -1.852 -6.542 2.280 1.00 0.00 C ATOM 446 O GLU A 33 -2.874 -6.390 1.610 1.00 0.00 O ATOM 447 CB GLU A 33 -1.112 -4.473 3.475 1.00 0.00 C ATOM 448 CG GLU A 33 -2.078 -3.471 2.863 1.00 0.00 C ATOM 449 CD GLU A 33 -1.481 -2.726 1.686 1.00 0.00 C ATOM 450 OE1 GLU A 33 -1.343 -3.336 0.605 1.00 0.00 O ATOM 451 OE2 GLU A 33 -1.150 -1.532 1.845 1.00 0.00 O ATOM 0 H GLU A 33 0.131 -6.616 4.331 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.695 -5.792 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.789 -4.105 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.223 -4.538 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.979 -3.992 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.382 -2.754 3.625 1.00 0.00 H new ATOM 458 N GLU A 34 -0.825 -7.282 1.874 1.00 0.00 N ATOM 459 CA GLU A 34 -0.842 -7.972 0.589 1.00 0.00 C ATOM 460 C GLU A 34 -1.532 -9.328 0.705 1.00 0.00 C ATOM 461 O GLU A 34 -2.149 -9.804 -0.248 1.00 0.00 O ATOM 462 CB GLU A 34 0.585 -8.156 0.068 1.00 0.00 C ATOM 463 CG GLU A 34 0.660 -8.371 -1.435 1.00 0.00 C ATOM 464 CD GLU A 34 1.718 -7.509 -2.096 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.654 -7.074 -1.392 1.00 0.00 O ATOM 466 OE2 GLU A 34 1.611 -7.270 -3.317 1.00 0.00 O ATOM 0 H GLU A 34 0.028 -7.419 2.416 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.404 -7.359 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.175 -7.278 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.040 -9.009 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.873 -9.421 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.311 -8.151 -1.878 1.00 0.00 H new ATOM 473 N LYS A 35 -1.423 -9.944 1.877 1.00 0.00 N ATOM 474 CA LYS A 35 -2.036 -11.246 2.116 1.00 0.00 C ATOM 475 C LYS A 35 -3.502 -11.099 2.517 1.00 0.00 C ATOM 476 O LYS A 35 -4.301 -12.017 2.330 1.00 0.00 O ATOM 477 CB LYS A 35 -1.272 -12.002 3.204 1.00 0.00 C ATOM 478 CG LYS A 35 0.155 -12.350 2.814 1.00 0.00 C ATOM 479 CD LYS A 35 0.261 -13.777 2.294 1.00 0.00 C ATOM 480 CE LYS A 35 1.004 -13.838 0.968 1.00 0.00 C ATOM 481 NZ LYS A 35 2.062 -14.884 0.972 1.00 0.00 N ATOM 0 H LYS A 35 -0.916 -9.563 2.676 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.990 -11.813 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.255 -11.398 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.809 -12.920 3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.503 -11.656 2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.809 -12.227 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.777 -14.395 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.738 -14.195 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.296 -14.041 0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.454 -12.867 0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.983 -14.445 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.848 -15.592 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.096 -15.347 0.041 1.00 0.00 H new ATOM 495 N ARG A 36 -3.850 -9.940 3.072 1.00 0.00 N ATOM 496 CA ARG A 36 -5.220 -9.677 3.500 1.00 0.00 C ATOM 497 C ARG A 36 -6.202 -9.874 2.348 1.00 0.00 C ATOM 498 O ARG A 36 -7.168 -10.628 2.466 1.00 0.00 O ATOM 499 CB ARG A 36 -5.340 -8.255 4.049 1.00 0.00 C ATOM 500 CG ARG A 36 -6.439 -8.095 5.087 1.00 0.00 C ATOM 501 CD ARG A 36 -6.524 -6.664 5.591 1.00 0.00 C ATOM 502 NE ARG A 36 -5.330 -6.274 6.337 1.00 0.00 N ATOM 503 CZ ARG A 36 -5.280 -5.231 7.163 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.353 -4.474 7.353 1.00 0.00 N ATOM 505 NH2 ARG A 36 -4.154 -4.947 7.803 1.00 0.00 N ATOM 0 H ARG A 36 -3.202 -9.169 3.235 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.468 -10.387 4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.388 -7.964 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.530 -7.570 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.396 -8.387 4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.250 -8.766 5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.660 -5.989 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.401 -6.556 6.229 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.485 -6.833 6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.222 -4.690 6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.309 -3.676 7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.327 -5.527 7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.115 -4.148 8.436 1.00 0.00 H new ATOM 519 N ARG A 37 -5.948 -9.192 1.237 1.00 0.00 N ATOM 520 CA ARG A 37 -6.811 -9.294 0.064 1.00 0.00 C ATOM 521 C ARG A 37 -6.878 -10.732 -0.441 1.00 0.00 C ATOM 522 O ARG A 37 -7.867 -11.142 -1.048 1.00 0.00 O ATOM 523 CB ARG A 37 -6.309 -8.368 -1.047 1.00 0.00 C ATOM 524 CG ARG A 37 -7.361 -7.388 -1.540 1.00 0.00 C ATOM 525 CD ARG A 37 -6.810 -6.479 -2.628 1.00 0.00 C ATOM 526 NE ARG A 37 -5.812 -5.546 -2.108 1.00 0.00 N ATOM 527 CZ ARG A 37 -5.441 -4.433 -2.737 1.00 0.00 C ATOM 528 NH1 ARG A 37 -5.980 -4.111 -3.906 1.00 0.00 N ATOM 529 NH2 ARG A 37 -4.527 -3.640 -2.196 1.00 0.00 N ATOM 0 H ARG A 37 -5.153 -8.563 1.123 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.816 -8.987 0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.447 -7.810 -0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.966 -8.973 -1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.220 -7.938 -1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.717 -6.784 -0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.363 -7.086 -3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.628 -5.919 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.375 -5.760 -1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.683 -4.718 -4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.691 -3.257 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.108 -3.883 -1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.242 -2.787 -2.678 1.00 0.00 H new ATOM 543 N GLN A 38 -5.820 -11.496 -0.185 1.00 0.00 N ATOM 544 CA GLN A 38 -5.761 -12.888 -0.613 1.00 0.00 C ATOM 545 C GLN A 38 -6.659 -13.761 0.257 1.00 0.00 C ATOM 546 O GLN A 38 -7.212 -14.758 -0.206 1.00 0.00 O ATOM 547 CB GLN A 38 -4.322 -13.402 -0.557 1.00 0.00 C ATOM 548 CG GLN A 38 -3.484 -12.997 -1.759 1.00 0.00 C ATOM 549 CD GLN A 38 -2.638 -14.136 -2.293 1.00 0.00 C ATOM 550 OE1 GLN A 38 -3.118 -15.259 -2.454 1.00 0.00 O ATOM 551 NE2 GLN A 38 -1.370 -13.854 -2.568 1.00 0.00 N ATOM 0 H GLN A 38 -4.992 -11.174 0.317 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.117 -12.941 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.846 -13.028 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.336 -14.489 -0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.141 -12.636 -2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.835 -12.167 -1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.014 -12.910 -2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.752 -14.582 -2.928 1.00 0.00 H new ATOM 560 N LEU A 39 -6.798 -13.379 1.523 1.00 0.00 N ATOM 561 CA LEU A 39 -7.629 -14.125 2.460 1.00 0.00 C ATOM 562 C LEU A 39 -9.068 -13.618 2.435 1.00 0.00 C ATOM 563 O LEU A 39 -10.009 -14.381 2.649 1.00 0.00 O ATOM 564 CB LEU A 39 -7.062 -14.015 3.877 1.00 0.00 C ATOM 565 CG LEU A 39 -5.838 -14.890 4.154 1.00 0.00 C ATOM 566 CD1 LEU A 39 -5.204 -14.514 5.483 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.223 -16.361 4.141 1.00 0.00 C ATOM 0 H LEU A 39 -6.346 -12.557 1.923 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.626 -15.171 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.796 -12.975 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.846 -14.278 4.587 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.105 -14.720 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.335 -15.147 5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.893 -13.470 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.929 -14.656 6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.341 -16.970 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.973 -16.548 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.631 -16.622 3.165 1.00 0.00 H new ATOM 579 N GLN A 40 -9.229 -12.326 2.169 1.00 0.00 N ATOM 580 CA GLN A 40 -10.553 -11.715 2.114 1.00 0.00 C ATOM 581 C GLN A 40 -11.384 -12.324 0.990 1.00 0.00 C ATOM 582 O GLN A 40 -12.526 -12.733 1.201 1.00 0.00 O ATOM 583 CB GLN A 40 -10.431 -10.202 1.918 1.00 0.00 C ATOM 584 CG GLN A 40 -11.283 -9.394 2.884 1.00 0.00 C ATOM 585 CD GLN A 40 -10.857 -7.941 2.961 1.00 0.00 C ATOM 586 OE1 GLN A 40 -9.830 -7.668 3.758 1.00 0.00 O flip ATOM 587 NE2 GLN A 40 -11.442 -7.075 2.312 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.459 -11.681 1.988 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.058 -11.910 3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.387 -9.911 2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.718 -9.952 0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.327 -9.447 2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.222 -9.840 3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.226 -7.330 1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.143 -6.102 2.374 1.00 0.00 H new ATOM 596 N GLU A 41 -10.803 -12.382 -0.204 1.00 0.00 N ATOM 597 CA GLU A 41 -11.491 -12.942 -1.362 1.00 0.00 C ATOM 598 C GLU A 41 -11.785 -14.423 -1.155 1.00 0.00 C ATOM 599 O GLU A 41 -12.909 -14.879 -1.367 1.00 0.00 O ATOM 600 CB GLU A 41 -10.647 -12.751 -2.623 1.00 0.00 C ATOM 601 CG GLU A 41 -10.437 -11.294 -3.001 1.00 0.00 C ATOM 602 CD GLU A 41 -9.980 -11.123 -4.436 1.00 0.00 C ATOM 603 OE1 GLU A 41 -8.897 -11.642 -4.780 1.00 0.00 O ATOM 604 OE2 GLU A 41 -10.705 -10.471 -5.216 1.00 0.00 O ATOM 0 H GLU A 41 -9.858 -12.048 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.437 -12.415 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.676 -13.223 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.128 -13.267 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.368 -10.746 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.697 -10.852 -2.333 1.00 0.00 H new ATOM 611 N GLU A 42 -10.768 -15.170 -0.736 1.00 0.00 N ATOM 612 CA GLU A 42 -10.917 -16.601 -0.499 1.00 0.00 C ATOM 613 C GLU A 42 -11.844 -16.862 0.683 1.00 0.00 C ATOM 614 O GLU A 42 -12.554 -17.867 0.718 1.00 0.00 O ATOM 615 CB GLU A 42 -9.551 -17.240 -0.244 1.00 0.00 C ATOM 616 CG GLU A 42 -8.695 -17.367 -1.493 1.00 0.00 C ATOM 617 CD GLU A 42 -7.887 -18.650 -1.519 1.00 0.00 C ATOM 618 OE1 GLU A 42 -8.473 -19.724 -1.269 1.00 0.00 O ATOM 619 OE2 GLU A 42 -6.670 -18.580 -1.788 1.00 0.00 O ATOM 0 H GLU A 42 -9.832 -14.808 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.359 -17.049 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.014 -16.646 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.697 -18.230 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.336 -17.328 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.018 -16.515 -1.553 1.00 0.00 H new ATOM 626 N ARG A 43 -11.831 -15.951 1.651 1.00 0.00 N ATOM 627 CA ARG A 43 -12.671 -16.082 2.836 1.00 0.00 C ATOM 628 C ARG A 43 -13.477 -14.809 3.075 1.00 0.00 C ATOM 629 O ARG A 43 -13.107 -13.976 3.902 1.00 0.00 O ATOM 630 CB ARG A 43 -11.812 -16.396 4.062 1.00 0.00 C ATOM 631 CG ARG A 43 -10.809 -17.516 3.831 1.00 0.00 C ATOM 632 CD ARG A 43 -10.740 -18.462 5.021 1.00 0.00 C ATOM 633 NE ARG A 43 -11.323 -19.767 4.717 1.00 0.00 N ATOM 634 CZ ARG A 43 -10.706 -20.706 4.003 1.00 0.00 C ATOM 635 NH1 ARG A 43 -9.489 -20.489 3.519 1.00 0.00 N ATOM 636 NH2 ARG A 43 -11.307 -21.865 3.774 1.00 0.00 N ATOM 0 H ARG A 43 -11.248 -15.114 1.638 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.367 -16.904 2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.276 -15.495 4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.464 -16.669 4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.086 -18.075 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.823 -17.090 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.700 -18.591 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.265 -18.019 5.867 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.257 -19.970 5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.022 -19.599 3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.021 -21.212 2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.242 -22.037 4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.835 -22.585 3.227 1.00 0.00 H new ATOM 650 N PRO A 44 -14.598 -14.642 2.351 1.00 0.00 N ATOM 651 CA PRO A 44 -15.460 -13.462 2.486 1.00 0.00 C ATOM 652 C PRO A 44 -16.154 -13.398 3.845 1.00 0.00 C ATOM 653 O PRO A 44 -16.674 -12.353 4.236 1.00 0.00 O ATOM 654 CB PRO A 44 -16.492 -13.641 1.369 1.00 0.00 C ATOM 655 CG PRO A 44 -16.513 -15.106 1.102 1.00 0.00 C ATOM 656 CD PRO A 44 -15.110 -15.588 1.343 1.00 0.00 C ATOM 0 HA PRO A 44 -14.890 -12.536 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.474 -13.281 1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.211 -13.080 0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.219 -15.613 1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.827 -15.312 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.094 -16.614 1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.514 -15.566 0.431 1.00 0.00 H new ATOM 664 N GLU A 45 -16.159 -14.519 4.561 1.00 0.00 N ATOM 665 CA GLU A 45 -16.790 -14.582 5.874 1.00 0.00 C ATOM 666 C GLU A 45 -15.933 -13.881 6.922 1.00 0.00 C ATOM 667 O GLU A 45 -16.450 -13.291 7.870 1.00 0.00 O ATOM 668 CB GLU A 45 -17.024 -16.038 6.281 1.00 0.00 C ATOM 669 CG GLU A 45 -15.798 -16.921 6.112 1.00 0.00 C ATOM 670 CD GLU A 45 -15.908 -18.223 6.880 1.00 0.00 C ATOM 671 OE1 GLU A 45 -15.838 -18.185 8.127 1.00 0.00 O ATOM 672 OE2 GLU A 45 -16.062 -19.282 6.235 1.00 0.00 O ATOM 0 H GLU A 45 -15.734 -15.394 4.254 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.750 -14.070 5.814 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.343 -16.069 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.841 -16.446 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.654 -17.139 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.915 -16.378 6.448 1.00 0.00 H new ATOM 679 N LEU A 46 -14.618 -13.953 6.744 1.00 0.00 N ATOM 680 CA LEU A 46 -13.685 -13.327 7.672 1.00 0.00 C ATOM 681 C LEU A 46 -13.546 -11.836 7.384 1.00 0.00 C ATOM 682 O LEU A 46 -13.627 -11.406 6.234 1.00 0.00 O ATOM 683 CB LEU A 46 -12.316 -14.004 7.582 1.00 0.00 C ATOM 684 CG LEU A 46 -12.259 -15.428 8.137 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.940 -16.091 7.775 1.00 0.00 C ATOM 686 CD2 LEU A 46 -12.458 -15.419 9.646 1.00 0.00 C ATOM 0 H LEU A 46 -14.175 -14.439 5.965 1.00 0.00 H new ATOM 0 HA LEU A 46 -14.079 -13.448 8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.006 -14.025 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.590 -13.393 8.117 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.066 -16.006 7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.919 -17.103 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.838 -16.131 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.116 -15.515 8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.415 -16.440 10.025 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.672 -14.825 10.113 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.430 -14.985 9.882 1.00 0.00 H new ATOM 698 N SER A 47 -13.337 -11.053 8.437 1.00 0.00 N ATOM 699 CA SER A 47 -13.188 -9.608 8.296 1.00 0.00 C ATOM 700 C SER A 47 -11.725 -9.198 8.444 1.00 0.00 C ATOM 701 O SER A 47 -10.876 -10.011 8.809 1.00 0.00 O ATOM 702 CB SER A 47 -14.042 -8.882 9.336 1.00 0.00 C ATOM 703 OG SER A 47 -14.694 -7.759 8.768 1.00 0.00 O ATOM 0 H SER A 47 -13.267 -11.393 9.396 1.00 0.00 H new ATOM 0 HA SER A 47 -13.528 -9.327 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.783 -9.568 9.745 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.413 -8.560 10.166 1.00 0.00 H new ATOM 0 HG SER A 47 -15.235 -7.314 9.453 1.00 0.00 H new ATOM 709 N GLU A 48 -11.439 -7.933 8.158 1.00 0.00 N ATOM 710 CA GLU A 48 -10.079 -7.415 8.259 1.00 0.00 C ATOM 711 C GLU A 48 -9.555 -7.536 9.686 1.00 0.00 C ATOM 712 O GLU A 48 -8.357 -7.719 9.905 1.00 0.00 O ATOM 713 CB GLU A 48 -10.032 -5.955 7.807 1.00 0.00 C ATOM 714 CG GLU A 48 -10.520 -5.743 6.383 1.00 0.00 C ATOM 715 CD GLU A 48 -10.832 -4.290 6.085 1.00 0.00 C ATOM 716 OE1 GLU A 48 -10.030 -3.417 6.479 1.00 0.00 O ATOM 717 OE2 GLU A 48 -11.879 -4.025 5.457 1.00 0.00 O ATOM 0 H GLU A 48 -12.130 -7.247 7.854 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.441 -8.010 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.640 -5.354 8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.008 -5.591 7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.761 -6.098 5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.413 -6.345 6.215 1.00 0.00 H new ATOM 724 N SER A 49 -10.460 -7.433 10.654 1.00 0.00 N ATOM 725 CA SER A 49 -10.087 -7.530 12.061 1.00 0.00 C ATOM 726 C SER A 49 -9.650 -8.950 12.413 1.00 0.00 C ATOM 727 O SER A 49 -8.742 -9.148 13.220 1.00 0.00 O ATOM 728 CB SER A 49 -11.259 -7.110 12.950 1.00 0.00 C ATOM 729 OG SER A 49 -11.194 -5.729 13.263 1.00 0.00 O ATOM 0 H SER A 49 -11.456 -7.283 10.490 1.00 0.00 H new ATOM 0 HA SER A 49 -9.247 -6.858 12.235 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.199 -7.327 12.444 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.250 -7.695 13.870 1.00 0.00 H new ATOM 0 HG SER A 49 -11.955 -5.486 13.831 1.00 0.00 H new ATOM 735 N GLU A 50 -10.303 -9.933 11.802 1.00 0.00 N ATOM 736 CA GLU A 50 -9.982 -11.334 12.050 1.00 0.00 C ATOM 737 C GLU A 50 -8.746 -11.756 11.263 1.00 0.00 C ATOM 738 O GLU A 50 -7.970 -12.600 11.712 1.00 0.00 O ATOM 739 CB GLU A 50 -11.169 -12.224 11.677 1.00 0.00 C ATOM 740 CG GLU A 50 -12.471 -11.812 12.343 1.00 0.00 C ATOM 741 CD GLU A 50 -12.680 -12.487 13.684 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.795 -12.361 14.556 1.00 0.00 O ATOM 743 OE2 GLU A 50 -13.729 -13.143 13.862 1.00 0.00 O ATOM 0 H GLU A 50 -11.058 -9.785 11.132 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.770 -11.451 13.113 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.302 -12.204 10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.940 -13.254 11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.478 -10.731 12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.305 -12.056 11.684 1.00 0.00 H new ATOM 750 N LEU A 51 -8.570 -11.167 10.086 1.00 0.00 N ATOM 751 CA LEU A 51 -7.429 -11.482 9.234 1.00 0.00 C ATOM 752 C LEU A 51 -6.122 -11.035 9.884 1.00 0.00 C ATOM 753 O LEU A 51 -5.066 -11.619 9.641 1.00 0.00 O ATOM 754 CB LEU A 51 -7.587 -10.815 7.867 1.00 0.00 C ATOM 755 CG LEU A 51 -8.703 -11.385 6.992 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.911 -10.519 5.759 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.386 -12.818 6.591 1.00 0.00 C ATOM 0 H LEU A 51 -9.204 -10.468 9.699 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.395 -12.563 9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.772 -9.752 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.644 -10.900 7.327 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.627 -11.385 7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.709 -10.941 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.184 -9.509 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.989 -10.486 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.191 -13.208 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.451 -12.841 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.289 -13.433 7.486 1.00 0.00 H new ATOM 769 N THR A 52 -6.200 -9.995 10.708 1.00 0.00 N ATOM 770 CA THR A 52 -5.022 -9.470 11.389 1.00 0.00 C ATOM 771 C THR A 52 -4.405 -10.522 12.305 1.00 0.00 C ATOM 772 O THR A 52 -3.186 -10.694 12.336 1.00 0.00 O ATOM 773 CB THR A 52 -5.389 -8.225 12.199 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.103 -7.300 11.400 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.186 -7.508 12.771 1.00 0.00 C ATOM 0 H THR A 52 -7.066 -9.499 10.920 1.00 0.00 H new ATOM 0 HA THR A 52 -4.287 -9.200 10.631 1.00 0.00 H new ATOM 0 HB THR A 52 -6.001 -8.587 13.025 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.951 -7.700 11.114 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.516 -6.635 13.334 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.642 -8.182 13.433 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.532 -7.190 11.959 1.00 0.00 H new ATOM 783 N ARG A 53 -5.252 -11.221 13.053 1.00 0.00 N ATOM 784 CA ARG A 53 -4.787 -12.255 13.970 1.00 0.00 C ATOM 785 C ARG A 53 -4.229 -13.452 13.207 1.00 0.00 C ATOM 786 O ARG A 53 -3.325 -14.138 13.682 1.00 0.00 O ATOM 787 CB ARG A 53 -5.927 -12.708 14.886 1.00 0.00 C ATOM 788 CG ARG A 53 -6.750 -11.561 15.454 1.00 0.00 C ATOM 789 CD ARG A 53 -5.878 -10.553 16.186 1.00 0.00 C ATOM 790 NE ARG A 53 -6.495 -9.231 16.234 1.00 0.00 N ATOM 791 CZ ARG A 53 -7.408 -8.868 17.133 1.00 0.00 C ATOM 792 NH1 ARG A 53 -7.817 -9.727 18.060 1.00 0.00 N ATOM 793 NH2 ARG A 53 -7.915 -7.643 17.105 1.00 0.00 N ATOM 0 H ARG A 53 -6.264 -11.090 13.042 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.988 -11.830 14.578 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.585 -13.374 14.329 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.510 -13.287 15.710 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.284 -11.061 14.646 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.502 -11.956 16.137 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.692 -10.904 17.201 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.910 -10.484 15.690 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.210 -8.544 15.537 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.431 -10.671 18.086 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.517 -9.443 18.746 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.606 -6.979 16.395 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.614 -7.365 17.793 1.00 0.00 H new ATOM 807 N LEU A 54 -4.774 -13.697 12.020 1.00 0.00 N ATOM 808 CA LEU A 54 -4.330 -14.811 11.191 1.00 0.00 C ATOM 809 C LEU A 54 -3.100 -14.427 10.374 1.00 0.00 C ATOM 810 O LEU A 54 -2.249 -15.267 10.082 1.00 0.00 O ATOM 811 CB LEU A 54 -5.457 -15.260 10.257 1.00 0.00 C ATOM 812 CG LEU A 54 -5.256 -16.632 9.610 1.00 0.00 C ATOM 813 CD1 LEU A 54 -5.327 -17.733 10.658 1.00 0.00 C ATOM 814 CD2 LEU A 54 -6.292 -16.863 8.521 1.00 0.00 C ATOM 0 H LEU A 54 -5.524 -13.139 11.611 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.062 -15.637 11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.390 -15.274 10.820 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.572 -14.517 9.468 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.266 -16.656 9.154 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.182 -18.701 10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.547 -17.576 11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.303 -17.711 11.143 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.135 -17.843 8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.291 -16.819 8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.194 -16.093 7.756 1.00 0.00 H new ATOM 826 N LEU A 55 -3.014 -13.153 10.009 1.00 0.00 N ATOM 827 CA LEU A 55 -1.887 -12.657 9.227 1.00 0.00 C ATOM 828 C LEU A 55 -0.632 -12.554 10.087 1.00 0.00 C ATOM 829 O LEU A 55 0.477 -12.804 9.616 1.00 0.00 O ATOM 830 CB LEU A 55 -2.219 -11.292 8.624 1.00 0.00 C ATOM 831 CG LEU A 55 -3.214 -11.322 7.462 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.827 -9.948 7.246 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.532 -11.810 6.193 1.00 0.00 C ATOM 0 H LEU A 55 -3.710 -12.445 10.242 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.696 -13.366 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.621 -10.653 9.410 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.294 -10.830 8.279 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.016 -12.017 7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.532 -9.990 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.350 -9.637 8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.039 -9.230 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.253 -11.826 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.711 -11.139 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.143 -12.815 6.353 1.00 0.00 H new ATOM 845 N ALA A 56 -0.816 -12.187 11.350 1.00 0.00 N ATOM 846 CA ALA A 56 0.301 -12.052 12.277 1.00 0.00 C ATOM 847 C ALA A 56 1.006 -13.389 12.483 1.00 0.00 C ATOM 848 O ALA A 56 2.214 -13.436 12.716 1.00 0.00 O ATOM 849 CB ALA A 56 -0.182 -11.498 13.608 1.00 0.00 C ATOM 0 H ALA A 56 -1.728 -11.978 11.755 1.00 0.00 H new ATOM 0 HA ALA A 56 1.018 -11.354 11.845 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.663 -11.403 14.290 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.635 -10.519 13.452 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.921 -12.175 14.037 1.00 0.00 H new ATOM 855 N ARG A 57 0.244 -14.474 12.391 1.00 0.00 N ATOM 856 CA ARG A 57 0.795 -15.813 12.566 1.00 0.00 C ATOM 857 C ARG A 57 1.515 -16.273 11.303 1.00 0.00 C ATOM 858 O ARG A 57 2.552 -16.931 11.373 1.00 0.00 O ATOM 859 CB ARG A 57 -0.315 -16.803 12.926 1.00 0.00 C ATOM 860 CG ARG A 57 0.110 -17.852 13.940 1.00 0.00 C ATOM 861 CD ARG A 57 -1.090 -18.475 14.634 1.00 0.00 C ATOM 862 NE ARG A 57 -1.469 -17.738 15.838 1.00 0.00 N ATOM 863 CZ ARG A 57 -2.549 -18.013 16.566 1.00 0.00 C ATOM 864 NH1 ARG A 57 -3.360 -19.005 16.216 1.00 0.00 N ATOM 865 NH2 ARG A 57 -2.821 -17.294 17.646 1.00 0.00 N ATOM 0 H ARG A 57 -0.757 -14.452 12.196 1.00 0.00 H new ATOM 0 HA ARG A 57 1.517 -15.778 13.382 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.168 -16.251 13.322 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.653 -17.303 12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.687 -18.630 13.440 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.765 -17.397 14.683 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.934 -18.502 13.945 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.861 -19.507 14.898 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.871 -16.968 16.138 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.157 -19.561 15.385 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.186 -19.211 16.778 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.203 -16.530 17.919 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.649 -17.505 18.204 1.00 0.00 H new ATOM 879 N MET A 58 0.955 -15.923 10.150 1.00 0.00 N ATOM 880 CA MET A 58 1.543 -16.301 8.870 1.00 0.00 C ATOM 881 C MET A 58 2.922 -15.673 8.700 1.00 0.00 C ATOM 882 O MET A 58 3.827 -16.282 8.127 1.00 0.00 O ATOM 883 CB MET A 58 0.629 -15.876 7.720 1.00 0.00 C ATOM 884 CG MET A 58 -0.582 -16.777 7.540 1.00 0.00 C ATOM 885 SD MET A 58 -1.125 -16.877 5.824 1.00 0.00 S ATOM 886 CE MET A 58 -1.340 -15.142 5.435 1.00 0.00 C ATOM 0 H MET A 58 0.096 -15.379 10.075 1.00 0.00 H new ATOM 0 HA MET A 58 1.653 -17.385 8.854 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.289 -14.855 7.895 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.205 -15.866 6.794 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.342 -17.778 7.900 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.401 -16.405 8.155 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.675 -15.039 4.403 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.084 -14.709 6.103 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.391 -14.620 5.562 1.00 0.00 H new ATOM 896 N TRP A 59 3.078 -14.452 9.201 1.00 0.00 N ATOM 897 CA TRP A 59 4.347 -13.741 9.106 1.00 0.00 C ATOM 898 C TRP A 59 5.464 -14.525 9.789 1.00 0.00 C ATOM 899 O TRP A 59 6.611 -14.506 9.342 1.00 0.00 O ATOM 900 CB TRP A 59 4.225 -12.351 9.734 1.00 0.00 C ATOM 901 CG TRP A 59 5.482 -11.541 9.637 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.238 -11.074 10.674 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.131 -11.103 8.437 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.316 -10.372 10.193 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.272 -10.376 8.823 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.857 -11.255 7.075 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.140 -9.803 7.896 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.718 -10.686 6.155 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.847 -9.968 6.569 1.00 0.00 C ATOM 0 H TRP A 59 2.340 -13.934 9.678 1.00 0.00 H new ATOM 0 HA TRP A 59 4.597 -13.635 8.050 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.414 -11.810 9.246 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.950 -12.458 10.783 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.020 -11.233 11.720 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.032 -9.921 10.762 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.988 -11.807 6.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.012 -9.249 8.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.517 -10.797 5.100 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.500 -9.535 5.826 1.00 0.00 H new ATOM 920 N ASN A 60 5.119 -15.213 10.872 1.00 0.00 N ATOM 921 CA ASN A 60 6.093 -16.004 11.616 1.00 0.00 C ATOM 922 C ASN A 60 6.444 -17.284 10.863 1.00 0.00 C ATOM 923 O ASN A 60 7.561 -17.789 10.964 1.00 0.00 O ATOM 924 CB ASN A 60 5.548 -16.349 13.004 1.00 0.00 C ATOM 925 CG ASN A 60 5.265 -15.112 13.836 1.00 0.00 C ATOM 926 OD1 ASN A 60 6.115 -14.233 13.970 1.00 0.00 O ATOM 927 ND2 ASN A 60 4.066 -15.041 14.400 1.00 0.00 N ATOM 0 H ASN A 60 4.174 -15.239 11.254 1.00 0.00 H new ATOM 0 HA ASN A 60 6.999 -15.408 11.726 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.632 -16.930 12.898 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.267 -16.980 13.528 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.818 -14.233 14.972 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.392 -15.794 14.262 1.00 0.00 H new ATOM 934 N ASP A 61 5.481 -17.802 10.107 1.00 0.00 N ATOM 935 CA ASP A 61 5.688 -19.024 9.336 1.00 0.00 C ATOM 936 C ASP A 61 6.629 -18.774 8.161 1.00 0.00 C ATOM 937 O ASP A 61 7.355 -19.670 7.733 1.00 0.00 O ATOM 938 CB ASP A 61 4.350 -19.562 8.827 1.00 0.00 C ATOM 939 CG ASP A 61 3.609 -20.358 9.884 1.00 0.00 C ATOM 940 OD1 ASP A 61 4.227 -21.255 10.494 1.00 0.00 O ATOM 941 OD2 ASP A 61 2.410 -20.083 10.102 1.00 0.00 O ATOM 0 H ASP A 61 4.550 -17.395 10.012 1.00 0.00 H new ATOM 0 HA ASP A 61 6.145 -19.765 9.992 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.727 -18.729 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.523 -20.193 7.955 1.00 0.00 H new ATOM 946 N LEU A 62 6.610 -17.549 7.643 1.00 0.00 N ATOM 947 CA LEU A 62 7.461 -17.182 6.517 1.00 0.00 C ATOM 948 C LEU A 62 8.933 -17.393 6.855 1.00 0.00 C ATOM 949 O LEU A 62 9.295 -17.569 8.018 1.00 0.00 O ATOM 950 CB LEU A 62 7.222 -15.723 6.123 1.00 0.00 C ATOM 951 CG LEU A 62 5.810 -15.409 5.625 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.649 -13.916 5.383 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.505 -16.194 4.358 1.00 0.00 C ATOM 0 H LEU A 62 6.015 -16.795 7.985 1.00 0.00 H new ATOM 0 HA LEU A 62 7.203 -17.826 5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.436 -15.090 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.934 -15.452 5.344 1.00 0.00 H new ATOM 0 HG LEU A 62 5.098 -15.709 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.638 -13.712 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.824 -13.376 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.369 -13.589 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.497 -15.958 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.222 -15.925 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.578 -17.262 4.565 1.00 0.00 H new ATOM 965 N SER A 63 9.779 -17.371 5.829 1.00 0.00 N ATOM 966 CA SER A 63 11.213 -17.558 6.016 1.00 0.00 C ATOM 967 C SER A 63 11.980 -16.307 5.598 1.00 0.00 C ATOM 968 O SER A 63 11.413 -15.388 5.006 1.00 0.00 O ATOM 969 CB SER A 63 11.699 -18.764 5.209 1.00 0.00 C ATOM 970 OG SER A 63 12.127 -19.810 6.065 1.00 0.00 O ATOM 0 H SER A 63 9.496 -17.226 4.860 1.00 0.00 H new ATOM 0 HA SER A 63 11.399 -17.740 7.074 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.896 -19.122 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.520 -18.463 4.558 1.00 0.00 H new ATOM 0 HG SER A 63 12.431 -20.570 5.526 1.00 0.00 H new ATOM 976 N GLU A 64 13.271 -16.278 5.910 1.00 0.00 N ATOM 977 CA GLU A 64 14.117 -15.140 5.565 1.00 0.00 C ATOM 978 C GLU A 64 14.093 -14.876 4.063 1.00 0.00 C ATOM 979 O GLU A 64 14.257 -13.739 3.620 1.00 0.00 O ATOM 980 CB GLU A 64 15.554 -15.386 6.030 1.00 0.00 C ATOM 981 CG GLU A 64 16.352 -14.110 6.241 1.00 0.00 C ATOM 982 CD GLU A 64 17.272 -14.191 7.443 1.00 0.00 C ATOM 983 OE1 GLU A 64 17.790 -15.293 7.722 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.474 -13.152 8.107 1.00 0.00 O ATOM 0 H GLU A 64 13.755 -17.029 6.401 1.00 0.00 H new ATOM 0 HA GLU A 64 13.723 -14.260 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.534 -15.950 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.064 -16.006 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.943 -13.904 5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.665 -13.273 6.369 1.00 0.00 H new ATOM 991 N LYS A 65 13.887 -15.933 3.284 1.00 0.00 N ATOM 992 CA LYS A 65 13.841 -15.815 1.831 1.00 0.00 C ATOM 993 C LYS A 65 12.653 -14.966 1.391 1.00 0.00 C ATOM 994 O LYS A 65 12.818 -13.956 0.707 1.00 0.00 O ATOM 995 CB LYS A 65 13.754 -17.201 1.190 1.00 0.00 C ATOM 996 CG LYS A 65 15.072 -17.958 1.194 1.00 0.00 C ATOM 997 CD LYS A 65 15.094 -19.041 0.126 1.00 0.00 C ATOM 998 CE LYS A 65 16.366 -19.870 0.200 1.00 0.00 C ATOM 999 NZ LYS A 65 16.274 -20.939 1.232 1.00 0.00 N ATOM 0 H LYS A 65 13.749 -16.881 3.635 1.00 0.00 H new ATOM 0 HA LYS A 65 14.757 -15.325 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.005 -17.790 1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.409 -17.095 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.894 -17.262 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.232 -18.408 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.227 -19.691 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.014 -18.583 -0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.562 -20.321 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.211 -19.219 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.161 -21.481 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.112 -20.508 2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.484 -21.576 1.003 1.00 0.00 H new ATOM 1013 N LYS A 66 11.455 -15.384 1.787 1.00 0.00 N ATOM 1014 CA LYS A 66 10.238 -14.665 1.433 1.00 0.00 C ATOM 1015 C LYS A 66 10.132 -13.355 2.206 1.00 0.00 C ATOM 1016 O LYS A 66 9.612 -12.363 1.697 1.00 0.00 O ATOM 1017 CB LYS A 66 9.009 -15.534 1.708 1.00 0.00 C ATOM 1018 CG LYS A 66 9.001 -16.838 0.927 1.00 0.00 C ATOM 1019 CD LYS A 66 7.583 -17.303 0.638 1.00 0.00 C ATOM 1020 CE LYS A 66 7.570 -18.672 -0.025 1.00 0.00 C ATOM 1021 NZ LYS A 66 6.320 -19.423 0.277 1.00 0.00 N ATOM 0 H LYS A 66 11.302 -16.218 2.354 1.00 0.00 H new ATOM 0 HA LYS A 66 10.281 -14.434 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.963 -15.758 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.111 -14.967 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.540 -16.705 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.529 -17.606 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.015 -17.342 1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.086 -16.580 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.671 -18.554 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.431 -19.248 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.350 -20.350 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.236 -19.558 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.500 -18.886 -0.070 1.00 0.00 H new ATOM 1035 N LYS A 67 10.629 -13.357 3.439 1.00 0.00 N ATOM 1036 CA LYS A 67 10.589 -12.168 4.281 1.00 0.00 C ATOM 1037 C LYS A 67 11.461 -11.060 3.698 1.00 0.00 C ATOM 1038 O LYS A 67 11.150 -9.877 3.831 1.00 0.00 O ATOM 1039 CB LYS A 67 11.051 -12.504 5.700 1.00 0.00 C ATOM 1040 CG LYS A 67 9.926 -12.967 6.611 1.00 0.00 C ATOM 1041 CD LYS A 67 10.335 -14.179 7.434 1.00 0.00 C ATOM 1042 CE LYS A 67 9.522 -14.284 8.714 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.338 -14.792 9.850 1.00 0.00 N ATOM 0 H LYS A 67 11.064 -14.169 3.877 1.00 0.00 H new ATOM 0 HA LYS A 67 9.559 -11.814 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.812 -13.283 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.523 -11.624 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.639 -12.154 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.049 -13.212 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.201 -15.084 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.395 -14.112 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.117 -13.305 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.673 -14.948 8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.747 -14.849 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.704 -15.738 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.134 -14.145 10.022 1.00 0.00 H new ATOM 1057 N ALA A 68 12.555 -11.452 3.052 1.00 0.00 N ATOM 1058 CA ALA A 68 13.472 -10.493 2.448 1.00 0.00 C ATOM 1059 C ALA A 68 12.759 -9.627 1.414 1.00 0.00 C ATOM 1060 O ALA A 68 13.099 -8.459 1.228 1.00 0.00 O ATOM 1061 CB ALA A 68 14.649 -11.217 1.812 1.00 0.00 C ATOM 0 H ALA A 68 12.828 -12.428 2.934 1.00 0.00 H new ATOM 0 HA ALA A 68 13.845 -9.839 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.326 -10.489 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.181 -11.786 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.285 -11.896 1.040 1.00 0.00 H new ATOM 1067 N LYS A 69 11.770 -10.208 0.743 1.00 0.00 N ATOM 1068 CA LYS A 69 11.010 -9.489 -0.273 1.00 0.00 C ATOM 1069 C LYS A 69 10.302 -8.282 0.331 1.00 0.00 C ATOM 1070 O LYS A 69 10.442 -7.159 -0.156 1.00 0.00 O ATOM 1071 CB LYS A 69 9.988 -10.419 -0.929 1.00 0.00 C ATOM 1072 CG LYS A 69 10.548 -11.207 -2.102 1.00 0.00 C ATOM 1073 CD LYS A 69 10.620 -10.358 -3.361 1.00 0.00 C ATOM 1074 CE LYS A 69 11.881 -10.652 -4.159 1.00 0.00 C ATOM 1075 NZ LYS A 69 12.473 -9.413 -4.736 1.00 0.00 N ATOM 0 H LYS A 69 11.476 -11.174 0.884 1.00 0.00 H new ATOM 0 HA LYS A 69 11.709 -9.136 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.611 -11.116 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.139 -9.828 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.543 -11.575 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.923 -12.081 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.743 -10.548 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.597 -9.302 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.613 -11.139 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.648 -11.351 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.330 -9.655 -5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.784 -8.962 -5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.719 -8.756 -3.968 1.00 0.00 H new ATOM 1089 N TYR A 70 9.539 -8.519 1.394 1.00 0.00 N ATOM 1090 CA TYR A 70 8.809 -7.451 2.065 1.00 0.00 C ATOM 1091 C TYR A 70 9.761 -6.532 2.823 1.00 0.00 C ATOM 1092 O TYR A 70 9.595 -5.312 2.822 1.00 0.00 O ATOM 1093 CB TYR A 70 7.773 -8.038 3.026 1.00 0.00 C ATOM 1094 CG TYR A 70 6.922 -9.124 2.409 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.877 -8.812 1.549 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.165 -10.464 2.687 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.098 -9.803 0.983 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.390 -11.461 2.125 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.359 -11.125 1.274 1.00 0.00 C ATOM 1100 OH TYR A 70 4.585 -12.115 0.713 1.00 0.00 O ATOM 0 H TYR A 70 9.411 -9.442 1.809 1.00 0.00 H new ATOM 0 HA TYR A 70 8.296 -6.863 1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.287 -8.442 3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.124 -7.237 3.381 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.670 -7.777 1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.972 -10.730 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.289 -9.543 0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.591 -12.498 2.351 1.00 0.00 H new ATOM 0 HH TYR A 70 4.901 -12.991 1.020 1.00 0.00 H new ATOM 1110 N LYS A 71 10.761 -7.125 3.469 1.00 0.00 N ATOM 1111 CA LYS A 71 11.740 -6.359 4.230 1.00 0.00 C ATOM 1112 C LYS A 71 12.488 -5.384 3.324 1.00 0.00 C ATOM 1113 O LYS A 71 12.858 -4.288 3.745 1.00 0.00 O ATOM 1114 CB LYS A 71 12.729 -7.299 4.923 1.00 0.00 C ATOM 1115 CG LYS A 71 12.619 -7.287 6.440 1.00 0.00 C ATOM 1116 CD LYS A 71 13.139 -8.580 7.048 1.00 0.00 C ATOM 1117 CE LYS A 71 12.010 -9.429 7.611 1.00 0.00 C ATOM 1118 NZ LYS A 71 12.521 -10.631 8.326 1.00 0.00 N ATOM 0 H LYS A 71 10.914 -8.133 3.480 1.00 0.00 H new ATOM 0 HA LYS A 71 11.208 -5.785 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.565 -8.315 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.743 -7.020 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.182 -6.444 6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.578 -7.141 6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.678 -9.148 6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.851 -8.349 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.410 -8.828 8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.352 -9.742 6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.720 -11.183 8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.072 -11.218 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.128 -10.333 9.116 1.00 0.00 H new ATOM 1132 N ALA A 72 12.706 -5.792 2.079 1.00 0.00 N ATOM 1133 CA ALA A 72 13.410 -4.957 1.113 1.00 0.00 C ATOM 1134 C ALA A 72 12.557 -3.763 0.698 1.00 0.00 C ATOM 1135 O ALA A 72 13.045 -2.635 0.618 1.00 0.00 O ATOM 1136 CB ALA A 72 13.804 -5.775 -0.107 1.00 0.00 C ATOM 0 H ALA A 72 12.405 -6.696 1.715 1.00 0.00 H new ATOM 0 HA ALA A 72 14.315 -4.579 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.329 -5.137 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.458 -6.592 0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.909 -6.183 -0.576 1.00 0.00 H new ATOM 1142 N ARG A 73 11.279 -4.018 0.436 1.00 0.00 N ATOM 1143 CA ARG A 73 10.356 -2.965 0.030 1.00 0.00 C ATOM 1144 C ARG A 73 10.259 -1.880 1.100 1.00 0.00 C ATOM 1145 O ARG A 73 9.963 -0.724 0.799 1.00 0.00 O ATOM 1146 CB ARG A 73 8.970 -3.551 -0.245 1.00 0.00 C ATOM 1147 CG ARG A 73 8.935 -4.499 -1.433 1.00 0.00 C ATOM 1148 CD ARG A 73 7.948 -5.635 -1.212 1.00 0.00 C ATOM 1149 NE ARG A 73 7.009 -5.769 -2.325 1.00 0.00 N ATOM 1150 CZ ARG A 73 7.306 -6.366 -3.477 1.00 0.00 C ATOM 1151 NH1 ARG A 73 8.512 -6.884 -3.674 1.00 0.00 N ATOM 1152 NH2 ARG A 73 6.393 -6.446 -4.435 1.00 0.00 N ATOM 0 H ARG A 73 10.859 -4.946 0.498 1.00 0.00 H new ATOM 0 HA ARG A 73 10.741 -2.513 -0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.626 -4.082 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.268 -2.736 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.661 -3.947 -2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.931 -4.909 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.494 -6.570 -1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.394 -5.460 -0.290 1.00 0.00 H new ATOM 0 HE ARG A 73 6.072 -5.382 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.218 -6.826 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.733 -7.340 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.464 -6.050 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.619 -6.903 -5.318 1.00 0.00 H new ATOM 1166 N GLU A 74 10.511 -2.261 2.349 1.00 0.00 N ATOM 1167 CA GLU A 74 10.451 -1.322 3.464 1.00 0.00 C ATOM 1168 C GLU A 74 11.372 -0.129 3.222 1.00 0.00 C ATOM 1169 O GLU A 74 11.056 0.999 3.603 1.00 0.00 O ATOM 1170 CB GLU A 74 10.836 -2.022 4.767 1.00 0.00 C ATOM 1171 CG GLU A 74 10.777 -1.114 5.986 1.00 0.00 C ATOM 1172 CD GLU A 74 11.359 -1.765 7.226 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.444 -2.377 7.122 1.00 0.00 O ATOM 1174 OE2 GLU A 74 10.732 -1.662 8.300 1.00 0.00 O ATOM 0 H GLU A 74 10.759 -3.214 2.614 1.00 0.00 H new ATOM 0 HA GLU A 74 9.427 -0.956 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.171 -2.871 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.845 -2.422 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.320 -0.193 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.741 -0.836 6.178 1.00 0.00 H new ATOM 1181 N ALA A 75 12.511 -0.385 2.588 1.00 0.00 N ATOM 1182 CA ALA A 75 13.477 0.668 2.297 1.00 0.00 C ATOM 1183 C ALA A 75 12.919 1.657 1.279 1.00 0.00 C ATOM 1184 O ALA A 75 13.247 2.842 1.307 1.00 0.00 O ATOM 1185 CB ALA A 75 14.778 0.064 1.791 1.00 0.00 C ATOM 0 H ALA A 75 12.788 -1.312 2.266 1.00 0.00 H new ATOM 0 HA ALA A 75 13.677 1.211 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.490 0.861 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.192 -0.598 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.586 -0.504 0.881 1.00 0.00 H new ATOM 1191 N ALA A 76 12.073 1.160 0.382 1.00 0.00 N ATOM 1192 CA ALA A 76 11.468 2.000 -0.645 1.00 0.00 C ATOM 1193 C ALA A 76 10.178 2.637 -0.141 1.00 0.00 C ATOM 1194 O ALA A 76 9.821 3.743 -0.546 1.00 0.00 O ATOM 1195 CB ALA A 76 11.201 1.186 -1.901 1.00 0.00 C ATOM 0 H ALA A 76 11.791 0.180 0.346 1.00 0.00 H new ATOM 0 HA ALA A 76 12.168 2.800 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.749 1.825 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.140 0.782 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.522 0.366 -1.666 1.00 0.00 H new ATOM 1201 N LEU A 77 9.483 1.932 0.746 1.00 0.00 N ATOM 1202 CA LEU A 77 8.232 2.429 1.306 1.00 0.00 C ATOM 1203 C LEU A 77 8.493 3.525 2.334 1.00 0.00 C ATOM 1204 O LEU A 77 7.879 4.591 2.291 1.00 0.00 O ATOM 1205 CB LEU A 77 7.448 1.285 1.951 1.00 0.00 C ATOM 1206 CG LEU A 77 6.693 0.384 0.972 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.491 -1.000 1.566 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.356 1.008 0.600 1.00 0.00 C ATOM 0 H LEU A 77 9.765 1.015 1.092 1.00 0.00 H new ATOM 0 HA LEU A 77 7.642 2.852 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.140 0.670 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.733 1.708 2.657 1.00 0.00 H new ATOM 0 HG LEU A 77 7.290 0.282 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.952 -1.626 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.461 -1.448 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.915 -0.920 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.831 0.355 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.753 1.139 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.525 1.978 0.132 1.00 0.00 H new ATOM 1220 N LYS A 78 9.409 3.255 3.258 1.00 0.00 N ATOM 1221 CA LYS A 78 9.754 4.219 4.297 1.00 0.00 C ATOM 1222 C LYS A 78 10.320 5.497 3.689 1.00 0.00 C ATOM 1223 O LYS A 78 10.025 6.599 4.149 1.00 0.00 O ATOM 1224 CB LYS A 78 10.765 3.611 5.272 1.00 0.00 C ATOM 1225 CG LYS A 78 10.176 2.529 6.164 1.00 0.00 C ATOM 1226 CD LYS A 78 9.991 3.020 7.591 1.00 0.00 C ATOM 1227 CE LYS A 78 11.109 2.532 8.497 1.00 0.00 C ATOM 1228 NZ LYS A 78 11.016 3.119 9.862 1.00 0.00 N ATOM 0 H LYS A 78 9.926 2.377 3.309 1.00 0.00 H new ATOM 0 HA LYS A 78 8.843 4.471 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.596 3.191 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.175 4.403 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.215 2.208 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.830 1.657 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.962 4.110 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.032 2.672 7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.071 1.445 8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.072 2.790 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.797 2.760 10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.078 4.155 9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.108 2.852 10.294 1.00 0.00 H new