USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 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 Set 1.1: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -131:sc= -0.277 (180deg=-0.36) USER MOD Single : A 32 SER OG : rot 180:sc= -0.36 USER MOD Single : A 40 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.28) 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 180:sc= -0.786 USER MOD Single : A 58 MET CE :methyl -160:sc= -0.854 (180deg=-2.17!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0918 F(o=-0.75,f=-0.092) 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 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.139 1.999 6.039 1.00 0.00 N ATOM 320 CA VAL A 25 4.843 0.648 5.580 1.00 0.00 C ATOM 321 C VAL A 25 6.046 -0.270 5.761 1.00 0.00 C ATOM 322 O VAL A 25 6.971 -0.266 4.948 1.00 0.00 O ATOM 323 CB VAL A 25 4.421 0.636 4.098 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.960 -0.754 3.682 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.329 1.665 3.843 1.00 0.00 C ATOM 0 HA VAL A 25 4.015 0.283 6.188 1.00 0.00 H new ATOM 0 HB VAL A 25 5.288 0.902 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.666 -0.741 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.775 -1.465 3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.108 -1.053 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.045 1.641 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.460 1.434 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.699 2.659 4.096 1.00 0.00 H new ATOM 335 N SER A 26 6.029 -1.056 6.832 1.00 0.00 N ATOM 336 CA SER A 26 7.120 -1.980 7.121 1.00 0.00 C ATOM 337 C SER A 26 6.894 -3.321 6.430 1.00 0.00 C ATOM 338 O SER A 26 5.875 -3.526 5.771 1.00 0.00 O ATOM 339 CB SER A 26 7.255 -2.187 8.631 1.00 0.00 C ATOM 340 OG SER A 26 6.754 -1.070 9.346 1.00 0.00 O ATOM 0 H SER A 26 5.271 -1.072 7.515 1.00 0.00 H new ATOM 0 HA SER A 26 8.043 -1.545 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.714 -3.085 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.302 -2.347 8.887 1.00 0.00 H new ATOM 0 HG SER A 26 6.850 -1.228 10.308 1.00 0.00 H new ATOM 346 N ALA A 27 7.851 -4.230 6.585 1.00 0.00 N ATOM 347 CA ALA A 27 7.756 -5.551 5.977 1.00 0.00 C ATOM 348 C ALA A 27 6.510 -6.287 6.456 1.00 0.00 C ATOM 349 O ALA A 27 5.889 -7.035 5.700 1.00 0.00 O ATOM 350 CB ALA A 27 9.003 -6.365 6.285 1.00 0.00 C ATOM 0 H ALA A 27 8.701 -4.075 7.127 1.00 0.00 H new ATOM 0 HA ALA A 27 7.678 -5.422 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.918 -7.349 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.879 -5.853 5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.107 -6.477 7.364 1.00 0.00 H new ATOM 356 N MET A 28 6.148 -6.070 7.716 1.00 0.00 N ATOM 357 CA MET A 28 4.975 -6.712 8.297 1.00 0.00 C ATOM 358 C MET A 28 3.692 -6.081 7.769 1.00 0.00 C ATOM 359 O MET A 28 2.662 -6.745 7.653 1.00 0.00 O ATOM 360 CB MET A 28 5.016 -6.614 9.823 1.00 0.00 C ATOM 361 CG MET A 28 3.853 -7.312 10.510 1.00 0.00 C ATOM 362 SD MET A 28 4.368 -8.276 11.944 1.00 0.00 S ATOM 363 CE MET A 28 2.990 -9.408 12.104 1.00 0.00 C ATOM 0 H MET A 28 6.651 -5.454 8.355 1.00 0.00 H new ATOM 0 HA MET A 28 4.987 -7.763 8.008 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.951 -7.046 10.181 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.019 -5.563 10.111 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.121 -6.567 10.822 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.356 -7.968 9.796 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.647 -9.419 13.138 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.176 -9.085 11.455 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.307 -10.410 11.816 1.00 0.00 H new ATOM 373 N PHE A 29 3.759 -4.792 7.451 1.00 0.00 N ATOM 374 CA PHE A 29 2.602 -4.068 6.937 1.00 0.00 C ATOM 375 C PHE A 29 2.257 -4.530 5.524 1.00 0.00 C ATOM 376 O PHE A 29 1.085 -4.691 5.183 1.00 0.00 O ATOM 377 CB PHE A 29 2.871 -2.563 6.943 1.00 0.00 C ATOM 378 CG PHE A 29 1.646 -1.733 6.682 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.148 -1.596 5.397 1.00 0.00 C ATOM 380 CD2 PHE A 29 0.994 -1.091 7.723 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.021 -0.834 5.153 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.134 -0.328 7.485 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.621 -0.198 6.199 1.00 0.00 C ATOM 0 H PHE A 29 4.603 -4.227 7.540 1.00 0.00 H new ATOM 0 HA PHE A 29 1.753 -4.280 7.587 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.292 -2.281 7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.623 -2.334 6.188 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.646 -2.090 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.371 -1.188 8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.358 -0.736 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.634 0.166 8.305 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.501 0.399 6.011 1.00 0.00 H new ATOM 393 N ILE A 30 3.284 -4.739 4.706 1.00 0.00 N ATOM 394 CA ILE A 30 3.089 -5.180 3.332 1.00 0.00 C ATOM 395 C ILE A 30 2.437 -6.559 3.287 1.00 0.00 C ATOM 396 O ILE A 30 1.458 -6.771 2.571 1.00 0.00 O ATOM 397 CB ILE A 30 4.422 -5.228 2.559 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.166 -3.898 2.697 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.175 -5.551 1.092 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.665 -4.056 2.831 1.00 0.00 C ATOM 0 H ILE A 30 4.260 -4.609 4.973 1.00 0.00 H new ATOM 0 HA ILE A 30 2.431 -4.452 2.857 1.00 0.00 H new ATOM 0 HB ILE A 30 5.042 -6.017 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.950 -3.278 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.785 -3.367 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.126 -5.581 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.683 -6.520 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.538 -4.783 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.127 -3.073 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.891 -4.649 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.058 -4.559 1.948 1.00 0.00 H new ATOM 412 N PHE A 31 2.987 -7.493 4.057 1.00 0.00 N ATOM 413 CA PHE A 31 2.457 -8.851 4.106 1.00 0.00 C ATOM 414 C PHE A 31 1.064 -8.869 4.725 1.00 0.00 C ATOM 415 O PHE A 31 0.216 -9.678 4.348 1.00 0.00 O ATOM 416 CB PHE A 31 3.394 -9.758 4.906 1.00 0.00 C ATOM 417 CG PHE A 31 2.983 -11.202 4.898 1.00 0.00 C ATOM 418 CD1 PHE A 31 2.093 -11.689 5.842 1.00 0.00 C ATOM 419 CD2 PHE A 31 3.488 -12.074 3.947 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.713 -13.018 5.837 1.00 0.00 C ATOM 421 CE2 PHE A 31 3.112 -13.404 3.936 1.00 0.00 C ATOM 422 CZ PHE A 31 2.223 -13.876 4.883 1.00 0.00 C ATOM 0 H PHE A 31 3.798 -7.334 4.655 1.00 0.00 H new ATOM 0 HA PHE A 31 2.386 -9.224 3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.402 -9.673 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.435 -9.406 5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.691 -11.022 6.591 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.184 -11.710 3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.018 -13.385 6.578 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.512 -14.073 3.189 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.928 -14.915 4.877 1.00 0.00 H new ATOM 432 N SER A 32 0.834 -7.971 5.677 1.00 0.00 N ATOM 433 CA SER A 32 -0.456 -7.880 6.350 1.00 0.00 C ATOM 434 C SER A 32 -1.479 -7.134 5.493 1.00 0.00 C ATOM 435 O SER A 32 -2.674 -7.154 5.786 1.00 0.00 O ATOM 436 CB SER A 32 -0.300 -7.180 7.701 1.00 0.00 C ATOM 437 OG SER A 32 -1.557 -6.778 8.215 1.00 0.00 O ATOM 0 H SER A 32 1.526 -7.295 6.000 1.00 0.00 H new ATOM 0 HA SER A 32 -0.821 -8.895 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.188 -7.851 8.408 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.347 -6.309 7.591 1.00 0.00 H new ATOM 0 HG SER A 32 -1.430 -6.334 9.080 1.00 0.00 H new ATOM 443 N GLU A 33 -1.005 -6.474 4.439 1.00 0.00 N ATOM 444 CA GLU A 33 -1.887 -5.725 3.551 1.00 0.00 C ATOM 445 C GLU A 33 -2.066 -6.448 2.219 1.00 0.00 C ATOM 446 O GLU A 33 -3.124 -6.364 1.594 1.00 0.00 O ATOM 447 CB GLU A 33 -1.328 -4.321 3.310 1.00 0.00 C ATOM 448 CG GLU A 33 -2.362 -3.335 2.788 1.00 0.00 C ATOM 449 CD GLU A 33 -1.907 -2.622 1.531 1.00 0.00 C ATOM 450 OE1 GLU A 33 -1.828 -3.279 0.471 1.00 0.00 O ATOM 451 OE2 GLU A 33 -1.630 -1.406 1.604 1.00 0.00 O ATOM 0 H GLU A 33 -0.019 -6.443 4.181 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.862 -5.645 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.913 -3.939 4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.506 -4.384 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.293 -3.865 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.578 -2.598 3.561 1.00 0.00 H new ATOM 458 N GLU A 34 -1.026 -7.155 1.789 1.00 0.00 N ATOM 459 CA GLU A 34 -1.070 -7.890 0.530 1.00 0.00 C ATOM 460 C GLU A 34 -1.774 -9.233 0.706 1.00 0.00 C ATOM 461 O GLU A 34 -2.460 -9.707 -0.198 1.00 0.00 O ATOM 462 CB GLU A 34 0.345 -8.110 -0.007 1.00 0.00 C ATOM 463 CG GLU A 34 0.402 -8.294 -1.513 1.00 0.00 C ATOM 464 CD GLU A 34 0.911 -7.060 -2.233 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.144 -6.919 -2.370 1.00 0.00 O ATOM 466 OE2 GLU A 34 0.076 -6.234 -2.660 1.00 0.00 O ATOM 0 H GLU A 34 -0.143 -7.235 2.293 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.635 -7.296 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.966 -7.258 0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.775 -8.988 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.049 -9.140 -1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.593 -8.541 -1.883 1.00 0.00 H new ATOM 473 N LYS A 35 -1.595 -9.841 1.874 1.00 0.00 N ATOM 474 CA LYS A 35 -2.212 -11.129 2.167 1.00 0.00 C ATOM 475 C LYS A 35 -3.652 -10.952 2.639 1.00 0.00 C ATOM 476 O LYS A 35 -4.498 -11.819 2.422 1.00 0.00 O ATOM 477 CB LYS A 35 -1.402 -11.875 3.228 1.00 0.00 C ATOM 478 CG LYS A 35 0.033 -12.157 2.813 1.00 0.00 C ATOM 479 CD LYS A 35 0.130 -13.401 1.944 1.00 0.00 C ATOM 480 CE LYS A 35 0.322 -13.047 0.479 1.00 0.00 C ATOM 481 NZ LYS A 35 -0.549 -13.866 -0.410 1.00 0.00 N ATOM 0 H LYS A 35 -1.028 -9.462 2.633 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.222 -11.715 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.397 -11.289 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.898 -12.819 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.430 -11.300 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.651 -12.284 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.963 -14.017 2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.775 -13.997 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.102 -11.990 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.366 -13.197 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.388 -13.594 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.322 -14.873 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.546 -13.703 -0.164 1.00 0.00 H new ATOM 495 N ARG A 36 -3.924 -9.823 3.286 1.00 0.00 N ATOM 496 CA ARG A 36 -5.262 -9.533 3.789 1.00 0.00 C ATOM 497 C ARG A 36 -6.281 -9.522 2.654 1.00 0.00 C ATOM 498 O ARG A 36 -7.357 -10.108 2.767 1.00 0.00 O ATOM 499 CB ARG A 36 -5.275 -8.186 4.515 1.00 0.00 C ATOM 500 CG ARG A 36 -6.636 -7.809 5.077 1.00 0.00 C ATOM 501 CD ARG A 36 -6.570 -6.516 5.874 1.00 0.00 C ATOM 502 NE ARG A 36 -6.221 -5.373 5.034 1.00 0.00 N ATOM 503 CZ ARG A 36 -5.750 -4.220 5.508 1.00 0.00 C ATOM 504 NH1 ARG A 36 -5.572 -4.055 6.813 1.00 0.00 N ATOM 505 NH2 ARG A 36 -5.457 -3.232 4.674 1.00 0.00 N ATOM 0 H ARG A 36 -3.236 -9.094 3.474 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.537 -10.320 4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.551 -8.215 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.948 -7.408 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.350 -7.699 4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.003 -8.613 5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.533 -6.335 6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.834 -6.619 6.671 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.345 -5.463 4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.796 -4.813 7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.211 -3.171 7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.592 -3.355 3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.096 -2.349 5.036 1.00 0.00 H new ATOM 519 N ARG A 37 -5.933 -8.854 1.559 1.00 0.00 N ATOM 520 CA ARG A 37 -6.818 -8.767 0.403 1.00 0.00 C ATOM 521 C ARG A 37 -7.025 -10.140 -0.229 1.00 0.00 C ATOM 522 O ARG A 37 -8.075 -10.415 -0.810 1.00 0.00 O ATOM 523 CB ARG A 37 -6.246 -7.798 -0.633 1.00 0.00 C ATOM 524 CG ARG A 37 -7.134 -7.617 -1.852 1.00 0.00 C ATOM 525 CD ARG A 37 -6.313 -7.442 -3.120 1.00 0.00 C ATOM 526 NE ARG A 37 -6.183 -6.037 -3.499 1.00 0.00 N ATOM 527 CZ ARG A 37 -5.257 -5.578 -4.338 1.00 0.00 C ATOM 528 NH1 ARG A 37 -4.379 -6.409 -4.887 1.00 0.00 N ATOM 529 NH2 ARG A 37 -5.209 -4.286 -4.630 1.00 0.00 N ATOM 0 H ARG A 37 -5.045 -8.365 1.448 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.784 -8.394 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.087 -6.828 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.269 -8.159 -0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.789 -8.482 -1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.775 -6.747 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.322 -7.871 -2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.781 -7.995 -3.934 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.840 -5.369 -3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.412 -7.404 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.672 -6.052 -5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.882 -3.643 -4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.499 -3.934 -5.273 1.00 0.00 H new ATOM 543 N GLN A 38 -6.018 -10.999 -0.111 1.00 0.00 N ATOM 544 CA GLN A 38 -6.091 -12.343 -0.671 1.00 0.00 C ATOM 545 C GLN A 38 -6.983 -13.240 0.181 1.00 0.00 C ATOM 546 O GLN A 38 -7.727 -14.070 -0.342 1.00 0.00 O ATOM 547 CB GLN A 38 -4.690 -12.951 -0.777 1.00 0.00 C ATOM 548 CG GLN A 38 -3.924 -12.503 -2.011 1.00 0.00 C ATOM 549 CD GLN A 38 -3.857 -13.578 -3.077 1.00 0.00 C ATOM 550 OE1 GLN A 38 -4.870 -13.947 -3.669 1.00 0.00 O ATOM 551 NE2 GLN A 38 -2.656 -14.088 -3.326 1.00 0.00 N ATOM 0 H GLN A 38 -5.142 -10.788 0.367 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.525 -12.271 -1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.119 -12.684 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.774 -14.038 -0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.399 -11.614 -2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.912 -12.219 -1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.842 -13.752 -2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.547 -14.816 -4.033 1.00 0.00 H new ATOM 560 N LEU A 39 -6.904 -13.065 1.496 1.00 0.00 N ATOM 561 CA LEU A 39 -7.704 -13.858 2.422 1.00 0.00 C ATOM 562 C LEU A 39 -9.164 -13.417 2.396 1.00 0.00 C ATOM 563 O LEU A 39 -10.070 -14.223 2.602 1.00 0.00 O ATOM 564 CB LEU A 39 -7.148 -13.738 3.843 1.00 0.00 C ATOM 565 CG LEU A 39 -5.847 -14.503 4.095 1.00 0.00 C ATOM 566 CD1 LEU A 39 -5.130 -13.947 5.316 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.130 -15.987 4.272 1.00 0.00 C ATOM 0 H LEU A 39 -6.294 -12.381 1.944 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.652 -14.900 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.981 -12.684 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.903 -14.094 4.544 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.198 -14.376 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.207 -14.503 5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.896 -12.895 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.773 -14.044 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.194 -16.517 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.797 -16.131 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.602 -16.377 3.370 1.00 0.00 H new ATOM 579 N GLN A 40 -9.382 -12.131 2.141 1.00 0.00 N ATOM 580 CA GLN A 40 -10.732 -11.582 2.088 1.00 0.00 C ATOM 581 C GLN A 40 -11.521 -12.188 0.932 1.00 0.00 C ATOM 582 O GLN A 40 -12.647 -12.653 1.111 1.00 0.00 O ATOM 583 CB GLN A 40 -10.679 -10.057 1.947 1.00 0.00 C ATOM 584 CG GLN A 40 -11.335 -9.317 3.102 1.00 0.00 C ATOM 585 CD GLN A 40 -10.930 -7.858 3.163 1.00 0.00 C ATOM 586 OE1 GLN A 40 -10.666 -7.231 2.137 1.00 0.00 O ATOM 587 NE2 GLN A 40 -10.877 -7.308 4.371 1.00 0.00 N ATOM 0 H GLN A 40 -8.642 -11.450 1.968 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.239 -11.835 3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.638 -9.743 1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.169 -9.769 1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.418 -9.386 3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.068 -9.804 4.040 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.104 -7.864 5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.609 -6.329 4.474 1.00 0.00 H new ATOM 596 N GLU A 41 -10.923 -12.180 -0.256 1.00 0.00 N ATOM 597 CA GLU A 41 -11.569 -12.730 -1.442 1.00 0.00 C ATOM 598 C GLU A 41 -11.680 -14.248 -1.346 1.00 0.00 C ATOM 599 O GLU A 41 -12.647 -14.841 -1.823 1.00 0.00 O ATOM 600 CB GLU A 41 -10.789 -12.341 -2.699 1.00 0.00 C ATOM 601 CG GLU A 41 -10.521 -10.850 -2.813 1.00 0.00 C ATOM 602 CD GLU A 41 -11.495 -10.152 -3.742 1.00 0.00 C ATOM 603 OE1 GLU A 41 -11.261 -10.169 -4.968 1.00 0.00 O ATOM 604 OE2 GLU A 41 -12.493 -9.590 -3.243 1.00 0.00 O ATOM 0 H GLU A 41 -9.992 -11.798 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.575 -12.314 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.838 -12.874 -2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.345 -12.670 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.581 -10.397 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.505 -10.694 -3.174 1.00 0.00 H new ATOM 611 N GLU A 42 -10.682 -14.870 -0.727 1.00 0.00 N ATOM 612 CA GLU A 42 -10.667 -16.320 -0.569 1.00 0.00 C ATOM 613 C GLU A 42 -11.627 -16.757 0.533 1.00 0.00 C ATOM 614 O GLU A 42 -12.235 -17.824 0.454 1.00 0.00 O ATOM 615 CB GLU A 42 -9.252 -16.803 -0.249 1.00 0.00 C ATOM 616 CG GLU A 42 -8.443 -17.176 -1.481 1.00 0.00 C ATOM 617 CD GLU A 42 -8.249 -18.673 -1.622 1.00 0.00 C ATOM 618 OE1 GLU A 42 -9.248 -19.380 -1.870 1.00 0.00 O ATOM 619 OE2 GLU A 42 -7.098 -19.138 -1.483 1.00 0.00 O ATOM 0 H GLU A 42 -9.874 -14.393 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.993 -16.767 -1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.725 -16.021 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.313 -17.668 0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.945 -16.793 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.468 -16.690 -1.431 1.00 0.00 H new ATOM 626 N ARG A 43 -11.760 -15.922 1.559 1.00 0.00 N ATOM 627 CA ARG A 43 -12.646 -16.221 2.677 1.00 0.00 C ATOM 628 C ARG A 43 -13.460 -14.990 3.070 1.00 0.00 C ATOM 629 O ARG A 43 -13.073 -14.241 3.966 1.00 0.00 O ATOM 630 CB ARG A 43 -11.838 -16.717 3.877 1.00 0.00 C ATOM 631 CG ARG A 43 -11.237 -18.099 3.676 1.00 0.00 C ATOM 632 CD ARG A 43 -12.159 -19.189 4.197 1.00 0.00 C ATOM 633 NE ARG A 43 -13.213 -19.518 3.240 1.00 0.00 N ATOM 634 CZ ARG A 43 -13.028 -20.289 2.171 1.00 0.00 C ATOM 635 NH1 ARG A 43 -11.835 -20.811 1.918 1.00 0.00 N ATOM 636 NH2 ARG A 43 -14.041 -20.538 1.351 1.00 0.00 N ATOM 0 H ARG A 43 -11.265 -15.034 1.639 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.335 -17.005 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.036 -16.008 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.482 -16.734 4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.043 -18.262 2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.277 -18.157 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.576 -20.083 4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.609 -18.865 5.135 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.144 -19.135 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.053 -20.622 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.700 -21.401 1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.960 -20.139 1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.900 -21.129 0.531 1.00 0.00 H new ATOM 650 N PRO A 44 -14.605 -14.767 2.401 1.00 0.00 N ATOM 651 CA PRO A 44 -15.474 -13.619 2.686 1.00 0.00 C ATOM 652 C PRO A 44 -16.107 -13.694 4.073 1.00 0.00 C ATOM 653 O PRO A 44 -16.656 -12.710 4.567 1.00 0.00 O ATOM 654 CB PRO A 44 -16.553 -13.706 1.601 1.00 0.00 C ATOM 655 CG PRO A 44 -16.560 -15.135 1.183 1.00 0.00 C ATOM 656 CD PRO A 44 -15.141 -15.612 1.319 1.00 0.00 C ATOM 0 HA PRO A 44 -14.918 -12.681 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.526 -13.402 1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.323 -13.050 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.231 -15.722 1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.910 -15.240 0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.095 -16.671 1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.582 -15.483 0.392 1.00 0.00 H new ATOM 664 N GLU A 45 -16.026 -14.865 4.699 1.00 0.00 N ATOM 665 CA GLU A 45 -16.591 -15.060 6.029 1.00 0.00 C ATOM 666 C GLU A 45 -15.698 -14.434 7.094 1.00 0.00 C ATOM 667 O GLU A 45 -16.176 -13.986 8.137 1.00 0.00 O ATOM 668 CB GLU A 45 -16.777 -16.551 6.314 1.00 0.00 C ATOM 669 CG GLU A 45 -17.547 -16.834 7.594 1.00 0.00 C ATOM 670 CD GLU A 45 -18.452 -18.044 7.475 1.00 0.00 C ATOM 671 OE1 GLU A 45 -18.117 -18.962 6.699 1.00 0.00 O ATOM 672 OE2 GLU A 45 -19.497 -18.073 8.159 1.00 0.00 O ATOM 0 H GLU A 45 -15.575 -15.691 4.307 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.563 -14.568 6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.301 -17.010 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.798 -17.025 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.842 -16.991 8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.146 -15.961 7.854 1.00 0.00 H new ATOM 679 N LEU A 46 -14.396 -14.406 6.825 1.00 0.00 N ATOM 680 CA LEU A 46 -13.434 -13.836 7.759 1.00 0.00 C ATOM 681 C LEU A 46 -13.359 -12.320 7.606 1.00 0.00 C ATOM 682 O LEU A 46 -13.217 -11.805 6.496 1.00 0.00 O ATOM 683 CB LEU A 46 -12.052 -14.452 7.537 1.00 0.00 C ATOM 684 CG LEU A 46 -11.966 -15.958 7.788 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.674 -16.522 7.218 1.00 0.00 C ATOM 686 CD2 LEU A 46 -12.070 -16.257 9.276 1.00 0.00 C ATOM 0 H LEU A 46 -13.984 -14.772 5.967 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.768 -14.064 8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.743 -14.252 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.338 -13.949 8.189 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.802 -16.440 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.631 -17.595 7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.641 -16.341 6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.823 -16.035 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.007 -17.333 9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.254 -15.763 9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.023 -15.889 9.655 1.00 0.00 H new ATOM 698 N SER A 47 -13.456 -11.611 8.726 1.00 0.00 N ATOM 699 CA SER A 47 -13.399 -10.154 8.715 1.00 0.00 C ATOM 700 C SER A 47 -11.965 -9.663 8.887 1.00 0.00 C ATOM 701 O SER A 47 -11.057 -10.451 9.148 1.00 0.00 O ATOM 702 CB SER A 47 -14.284 -9.580 9.823 1.00 0.00 C ATOM 703 OG SER A 47 -15.650 -9.594 9.444 1.00 0.00 O ATOM 0 H SER A 47 -13.574 -12.022 9.652 1.00 0.00 H new ATOM 0 HA SER A 47 -13.768 -9.809 7.749 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.151 -10.160 10.736 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.976 -8.559 10.046 1.00 0.00 H new ATOM 0 HG SER A 47 -16.195 -9.224 10.170 1.00 0.00 H new ATOM 709 N GLU A 48 -11.771 -8.356 8.742 1.00 0.00 N ATOM 710 CA GLU A 48 -10.448 -7.760 8.883 1.00 0.00 C ATOM 711 C GLU A 48 -9.868 -8.041 10.266 1.00 0.00 C ATOM 712 O GLU A 48 -8.689 -8.367 10.402 1.00 0.00 O ATOM 713 CB GLU A 48 -10.519 -6.250 8.640 1.00 0.00 C ATOM 714 CG GLU A 48 -9.905 -5.817 7.318 1.00 0.00 C ATOM 715 CD GLU A 48 -10.684 -4.700 6.652 1.00 0.00 C ATOM 716 OE1 GLU A 48 -11.905 -4.867 6.449 1.00 0.00 O ATOM 717 OE2 GLU A 48 -10.073 -3.659 6.332 1.00 0.00 O ATOM 0 H GLU A 48 -12.513 -7.690 8.527 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.792 -8.210 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.562 -5.935 8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.009 -5.735 9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.880 -5.489 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.858 -6.674 6.645 1.00 0.00 H new ATOM 724 N SER A 49 -10.706 -7.910 11.291 1.00 0.00 N ATOM 725 CA SER A 49 -10.277 -8.151 12.663 1.00 0.00 C ATOM 726 C SER A 49 -9.777 -9.581 12.835 1.00 0.00 C ATOM 727 O SER A 49 -8.823 -9.832 13.571 1.00 0.00 O ATOM 728 CB SER A 49 -11.428 -7.880 13.634 1.00 0.00 C ATOM 729 OG SER A 49 -11.873 -6.538 13.537 1.00 0.00 O ATOM 0 H SER A 49 -11.685 -7.639 11.196 1.00 0.00 H new ATOM 0 HA SER A 49 -9.455 -7.470 12.885 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.255 -8.557 13.420 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.103 -8.086 14.654 1.00 0.00 H new ATOM 0 HG SER A 49 -12.610 -6.391 14.166 1.00 0.00 H new ATOM 735 N GLU A 50 -10.428 -10.515 12.149 1.00 0.00 N ATOM 736 CA GLU A 50 -10.049 -11.921 12.224 1.00 0.00 C ATOM 737 C GLU A 50 -8.833 -12.204 11.349 1.00 0.00 C ATOM 738 O GLU A 50 -8.022 -13.076 11.660 1.00 0.00 O ATOM 739 CB GLU A 50 -11.219 -12.810 11.797 1.00 0.00 C ATOM 740 CG GLU A 50 -12.493 -12.562 12.588 1.00 0.00 C ATOM 741 CD GLU A 50 -12.753 -13.637 13.625 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.911 -13.803 14.533 1.00 0.00 O ATOM 743 OE2 GLU A 50 -13.799 -14.313 13.531 1.00 0.00 O ATOM 0 H GLU A 50 -11.220 -10.324 11.535 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.789 -12.147 13.258 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.421 -12.646 10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.930 -13.855 11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.426 -11.593 13.083 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.339 -12.512 11.902 1.00 0.00 H new ATOM 750 N LEU A 51 -8.714 -11.462 10.254 1.00 0.00 N ATOM 751 CA LEU A 51 -7.597 -11.633 9.333 1.00 0.00 C ATOM 752 C LEU A 51 -6.295 -11.140 9.958 1.00 0.00 C ATOM 753 O LEU A 51 -5.219 -11.661 9.667 1.00 0.00 O ATOM 754 CB LEU A 51 -7.864 -10.882 8.026 1.00 0.00 C ATOM 755 CG LEU A 51 -8.930 -11.509 7.126 1.00 0.00 C ATOM 756 CD1 LEU A 51 -9.251 -10.590 5.958 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.469 -12.870 6.625 1.00 0.00 C ATOM 0 H LEU A 51 -9.377 -10.736 9.982 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.497 -12.697 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.166 -9.863 8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.931 -10.815 7.466 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.838 -11.647 7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.011 -11.053 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.623 -9.638 6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.349 -10.419 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.239 -13.302 5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.547 -12.755 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.290 -13.529 7.475 1.00 0.00 H new ATOM 769 N THR A 52 -6.403 -10.134 10.820 1.00 0.00 N ATOM 770 CA THR A 52 -5.234 -9.572 11.487 1.00 0.00 C ATOM 771 C THR A 52 -4.503 -10.638 12.297 1.00 0.00 C ATOM 772 O THR A 52 -3.274 -10.656 12.352 1.00 0.00 O ATOM 773 CB THR A 52 -5.649 -8.417 12.400 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.742 -7.707 11.846 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.536 -7.423 12.651 1.00 0.00 C ATOM 0 H THR A 52 -7.287 -9.692 11.073 1.00 0.00 H new ATOM 0 HA THR A 52 -4.556 -9.196 10.721 1.00 0.00 H new ATOM 0 HB THR A 52 -5.920 -8.882 13.348 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.993 -6.974 12.446 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.897 -6.630 13.306 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.695 -7.930 13.125 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.212 -6.992 11.703 1.00 0.00 H new ATOM 783 N ARG A 53 -5.269 -11.526 12.923 1.00 0.00 N ATOM 784 CA ARG A 53 -4.695 -12.597 13.729 1.00 0.00 C ATOM 785 C ARG A 53 -4.051 -13.658 12.843 1.00 0.00 C ATOM 786 O ARG A 53 -3.068 -14.291 13.229 1.00 0.00 O ATOM 787 CB ARG A 53 -5.771 -13.234 14.609 1.00 0.00 C ATOM 788 CG ARG A 53 -6.563 -12.228 15.427 1.00 0.00 C ATOM 789 CD ARG A 53 -5.671 -11.473 16.399 1.00 0.00 C ATOM 790 NE ARG A 53 -5.323 -10.144 15.902 1.00 0.00 N ATOM 791 CZ ARG A 53 -4.849 -9.166 16.672 1.00 0.00 C ATOM 792 NH1 ARG A 53 -4.666 -9.364 17.971 1.00 0.00 N ATOM 793 NH2 ARG A 53 -4.557 -7.986 16.140 1.00 0.00 N ATOM 0 H ARG A 53 -6.288 -11.525 12.887 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.924 -12.165 14.367 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.458 -13.797 13.978 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.300 -13.948 15.284 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.055 -11.521 14.759 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.349 -12.744 15.979 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.178 -11.380 17.359 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.760 -12.045 16.574 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.450 -9.954 14.908 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.889 -10.269 18.385 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.303 -8.611 18.555 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.696 -7.828 15.142 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.194 -7.237 16.729 1.00 0.00 H new ATOM 807 N LEU A 54 -4.610 -13.846 11.652 1.00 0.00 N ATOM 808 CA LEU A 54 -4.091 -14.829 10.710 1.00 0.00 C ATOM 809 C LEU A 54 -2.869 -14.287 9.976 1.00 0.00 C ATOM 810 O LEU A 54 -1.953 -15.035 9.637 1.00 0.00 O ATOM 811 CB LEU A 54 -5.173 -15.224 9.703 1.00 0.00 C ATOM 812 CG LEU A 54 -4.855 -16.463 8.864 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.934 -17.719 9.717 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.806 -16.561 7.680 1.00 0.00 C ATOM 0 H LEU A 54 -5.423 -13.330 11.317 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.791 -15.712 11.274 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.104 -15.398 10.243 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.347 -14.384 9.031 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.838 -16.370 8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.705 -18.590 9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.215 -17.650 10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.939 -17.818 10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.566 -17.448 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.832 -16.632 8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.702 -15.674 7.055 1.00 0.00 H new ATOM 826 N LEU A 55 -2.864 -12.980 9.733 1.00 0.00 N ATOM 827 CA LEU A 55 -1.756 -12.336 9.039 1.00 0.00 C ATOM 828 C LEU A 55 -0.482 -12.396 9.875 1.00 0.00 C ATOM 829 O LEU A 55 0.592 -12.718 9.366 1.00 0.00 O ATOM 830 CB LEU A 55 -2.103 -10.880 8.720 1.00 0.00 C ATOM 831 CG LEU A 55 -3.186 -10.692 7.658 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.801 -9.305 7.762 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.614 -10.919 6.268 1.00 0.00 C ATOM 0 H LEU A 55 -3.615 -12.347 10.007 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.583 -12.873 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.427 -10.390 9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.198 -10.371 8.389 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.970 -11.429 7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.570 -9.190 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.247 -9.178 8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.027 -8.552 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.399 -10.781 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.811 -10.206 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.222 -11.933 6.197 1.00 0.00 H new ATOM 845 N ALA A 56 -0.609 -12.085 11.161 1.00 0.00 N ATOM 846 CA ALA A 56 0.532 -12.103 12.068 1.00 0.00 C ATOM 847 C ALA A 56 1.080 -13.516 12.229 1.00 0.00 C ATOM 848 O ALA A 56 2.282 -13.708 12.416 1.00 0.00 O ATOM 849 CB ALA A 56 0.139 -11.530 13.421 1.00 0.00 C ATOM 0 H ALA A 56 -1.491 -11.818 11.598 1.00 0.00 H new ATOM 0 HA ALA A 56 1.318 -11.482 11.638 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.000 -11.550 14.089 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.200 -10.502 13.296 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.666 -12.128 13.849 1.00 0.00 H new ATOM 855 N ARG A 57 0.193 -14.502 12.156 1.00 0.00 N ATOM 856 CA ARG A 57 0.588 -15.900 12.293 1.00 0.00 C ATOM 857 C ARG A 57 1.326 -16.380 11.048 1.00 0.00 C ATOM 858 O ARG A 57 2.247 -17.194 11.135 1.00 0.00 O ATOM 859 CB ARG A 57 -0.640 -16.777 12.544 1.00 0.00 C ATOM 860 CG ARG A 57 -0.387 -17.914 13.520 1.00 0.00 C ATOM 861 CD ARG A 57 -1.565 -18.872 13.582 1.00 0.00 C ATOM 862 NE ARG A 57 -1.202 -20.216 13.138 1.00 0.00 N ATOM 863 CZ ARG A 57 -2.087 -21.142 12.776 1.00 0.00 C ATOM 864 NH1 ARG A 57 -3.387 -20.874 12.804 1.00 0.00 N ATOM 865 NH2 ARG A 57 -1.671 -22.339 12.385 1.00 0.00 N ATOM 0 H ARG A 57 -0.805 -14.359 12.003 1.00 0.00 H new ATOM 0 HA ARG A 57 1.262 -15.980 13.146 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.449 -16.154 12.927 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.979 -17.193 11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.509 -18.458 13.221 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.197 -17.506 14.513 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.942 -18.917 14.604 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.375 -18.491 12.960 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.212 -20.459 13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.712 -19.955 13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.061 -21.587 12.526 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.673 -22.550 12.362 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.349 -23.049 12.108 1.00 0.00 H new ATOM 879 N MET A 58 0.917 -15.872 9.890 1.00 0.00 N ATOM 880 CA MET A 58 1.539 -16.251 8.627 1.00 0.00 C ATOM 881 C MET A 58 2.920 -15.619 8.491 1.00 0.00 C ATOM 882 O MET A 58 3.820 -16.195 7.879 1.00 0.00 O ATOM 883 CB MET A 58 0.655 -15.831 7.452 1.00 0.00 C ATOM 884 CG MET A 58 -0.480 -16.800 7.168 1.00 0.00 C ATOM 885 SD MET A 58 -0.967 -16.809 5.432 1.00 0.00 S ATOM 886 CE MET A 58 -1.698 -15.182 5.277 1.00 0.00 C ATOM 0 H MET A 58 0.158 -15.197 9.800 1.00 0.00 H new ATOM 0 HA MET A 58 1.652 -17.335 8.617 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.237 -14.845 7.657 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.273 -15.736 6.559 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.177 -17.805 7.462 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.341 -16.535 7.782 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.350 -15.158 4.404 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.281 -14.958 6.171 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.909 -14.438 5.162 1.00 0.00 H new ATOM 896 N TRP A 59 3.081 -14.430 9.065 1.00 0.00 N ATOM 897 CA TRP A 59 4.353 -13.720 9.008 1.00 0.00 C ATOM 898 C TRP A 59 5.444 -14.499 9.734 1.00 0.00 C ATOM 899 O TRP A 59 6.597 -14.520 9.304 1.00 0.00 O ATOM 900 CB TRP A 59 4.210 -12.326 9.621 1.00 0.00 C ATOM 901 CG TRP A 59 5.439 -11.483 9.472 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.231 -11.003 10.476 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.016 -11.017 8.248 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.266 -10.268 9.950 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.156 -10.262 8.584 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.681 -11.165 6.899 1.00 0.00 C ATOM 907 CZ2 TRP A 59 7.960 -9.658 7.620 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.481 -10.566 5.944 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.609 -9.821 6.308 1.00 0.00 C ATOM 0 H TRP A 59 2.346 -13.939 9.574 1.00 0.00 H new ATOM 0 HA TRP A 59 4.639 -13.621 7.961 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.369 -11.815 9.152 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.972 -12.425 10.680 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.068 -11.176 11.529 1.00 0.00 H new ATOM 0 HE1 TRP A 59 7.997 -9.803 10.488 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.813 -11.737 6.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.830 -9.081 7.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.231 -10.675 4.899 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.214 -9.366 5.538 1.00 0.00 H new ATOM 920 N ASN A 60 5.072 -15.138 10.839 1.00 0.00 N ATOM 921 CA ASN A 60 6.019 -15.920 11.625 1.00 0.00 C ATOM 922 C ASN A 60 6.476 -17.155 10.856 1.00 0.00 C ATOM 923 O ASN A 60 7.652 -17.516 10.884 1.00 0.00 O ATOM 924 CB ASN A 60 5.388 -16.337 12.955 1.00 0.00 C ATOM 925 CG ASN A 60 5.088 -15.151 13.850 1.00 0.00 C ATOM 926 OD1 ASN A 60 3.824 -14.998 14.227 1.00 0.00 O flip ATOM 927 ND2 ASN A 60 5.982 -14.380 14.198 1.00 0.00 N flip ATOM 0 H ASN A 60 4.122 -15.129 11.210 1.00 0.00 H new ATOM 0 HA ASN A 60 6.890 -15.296 11.824 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.466 -16.884 12.761 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.060 -17.020 13.475 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.940 -14.535 13.885 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.765 -13.586 14.800 1.00 0.00 H new ATOM 934 N ASP A 61 5.537 -17.800 10.170 1.00 0.00 N ATOM 935 CA ASP A 61 5.843 -18.995 9.393 1.00 0.00 C ATOM 936 C ASP A 61 6.874 -18.691 8.309 1.00 0.00 C ATOM 937 O ASP A 61 7.654 -19.560 7.919 1.00 0.00 O ATOM 938 CB ASP A 61 4.566 -19.558 8.762 1.00 0.00 C ATOM 939 CG ASP A 61 4.204 -20.924 9.310 1.00 0.00 C ATOM 940 OD1 ASP A 61 4.204 -21.085 10.549 1.00 0.00 O ATOM 941 OD2 ASP A 61 3.920 -21.832 8.502 1.00 0.00 O ATOM 0 H ASP A 61 4.558 -17.515 10.137 1.00 0.00 H new ATOM 0 HA ASP A 61 6.265 -19.740 10.067 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.741 -18.868 8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.697 -19.626 7.682 1.00 0.00 H new ATOM 946 N LEU A 62 6.871 -17.453 7.825 1.00 0.00 N ATOM 947 CA LEU A 62 7.806 -17.036 6.786 1.00 0.00 C ATOM 948 C LEU A 62 9.249 -17.222 7.244 1.00 0.00 C ATOM 949 O LEU A 62 9.534 -17.241 8.441 1.00 0.00 O ATOM 950 CB LEU A 62 7.563 -15.572 6.410 1.00 0.00 C ATOM 951 CG LEU A 62 6.259 -15.305 5.657 1.00 0.00 C ATOM 952 CD1 LEU A 62 6.118 -13.824 5.342 1.00 0.00 C ATOM 953 CD2 LEU A 62 6.203 -16.132 4.382 1.00 0.00 C ATOM 0 H LEU A 62 6.232 -16.721 8.136 1.00 0.00 H new ATOM 0 HA LEU A 62 7.639 -17.663 5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.568 -14.973 7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.396 -15.227 5.797 1.00 0.00 H new ATOM 0 HG LEU A 62 5.425 -15.600 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.184 -13.653 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.113 -13.253 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.956 -13.502 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.269 -15.930 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.043 -15.868 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.257 -17.191 4.633 1.00 0.00 H new ATOM 965 N SER A 63 10.156 -17.359 6.282 1.00 0.00 N ATOM 966 CA SER A 63 11.571 -17.545 6.586 1.00 0.00 C ATOM 967 C SER A 63 12.355 -16.263 6.325 1.00 0.00 C ATOM 968 O SER A 63 11.790 -15.250 5.911 1.00 0.00 O ATOM 969 CB SER A 63 12.147 -18.689 5.749 1.00 0.00 C ATOM 970 OG SER A 63 11.286 -19.814 5.761 1.00 0.00 O ATOM 0 H SER A 63 9.937 -17.345 5.286 1.00 0.00 H new ATOM 0 HA SER A 63 11.661 -17.796 7.643 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.297 -18.353 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.125 -18.972 6.138 1.00 0.00 H new ATOM 0 HG SER A 63 11.676 -20.530 5.218 1.00 0.00 H new ATOM 976 N GLU A 64 13.660 -16.315 6.571 1.00 0.00 N ATOM 977 CA GLU A 64 14.523 -15.158 6.362 1.00 0.00 C ATOM 978 C GLU A 64 14.623 -14.812 4.881 1.00 0.00 C ATOM 979 O GLU A 64 14.788 -13.649 4.513 1.00 0.00 O ATOM 980 CB GLU A 64 15.918 -15.427 6.931 1.00 0.00 C ATOM 981 CG GLU A 64 16.054 -15.071 8.402 1.00 0.00 C ATOM 982 CD GLU A 64 17.496 -14.858 8.820 1.00 0.00 C ATOM 983 OE1 GLU A 64 18.314 -14.479 7.956 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.807 -15.070 10.011 1.00 0.00 O ATOM 0 H GLU A 64 14.143 -17.145 6.915 1.00 0.00 H new ATOM 0 HA GLU A 64 14.082 -14.309 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.159 -16.482 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.651 -14.858 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.483 -14.166 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.618 -15.867 9.006 1.00 0.00 H new ATOM 991 N LYS A 65 14.523 -15.831 4.033 1.00 0.00 N ATOM 992 CA LYS A 65 14.602 -15.636 2.589 1.00 0.00 C ATOM 993 C LYS A 65 13.303 -15.046 2.048 1.00 0.00 C ATOM 994 O LYS A 65 13.321 -14.173 1.180 1.00 0.00 O ATOM 995 CB LYS A 65 14.909 -16.963 1.891 1.00 0.00 C ATOM 996 CG LYS A 65 16.266 -16.992 1.208 1.00 0.00 C ATOM 997 CD LYS A 65 16.547 -18.348 0.583 1.00 0.00 C ATOM 998 CE LYS A 65 17.871 -18.354 -0.164 1.00 0.00 C ATOM 999 NZ LYS A 65 17.962 -19.488 -1.126 1.00 0.00 N ATOM 0 H LYS A 65 14.387 -16.800 4.321 1.00 0.00 H new ATOM 0 HA LYS A 65 15.409 -14.933 2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.863 -17.768 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.135 -17.162 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.304 -16.221 0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.045 -16.756 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.563 -19.112 1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.740 -18.608 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.989 -17.413 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.691 -18.418 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.880 -19.456 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.875 -20.388 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.195 -19.413 -1.824 1.00 0.00 H new ATOM 1013 N LYS A 66 12.179 -15.529 2.565 1.00 0.00 N ATOM 1014 CA LYS A 66 10.871 -15.051 2.132 1.00 0.00 C ATOM 1015 C LYS A 66 10.623 -13.627 2.620 1.00 0.00 C ATOM 1016 O LYS A 66 10.144 -12.778 1.869 1.00 0.00 O ATOM 1017 CB LYS A 66 9.768 -15.977 2.650 1.00 0.00 C ATOM 1018 CG LYS A 66 9.524 -17.186 1.761 1.00 0.00 C ATOM 1019 CD LYS A 66 8.097 -17.694 1.894 1.00 0.00 C ATOM 1020 CE LYS A 66 7.842 -18.884 0.983 1.00 0.00 C ATOM 1021 NZ LYS A 66 6.480 -18.842 0.383 1.00 0.00 N ATOM 0 H LYS A 66 12.147 -16.251 3.285 1.00 0.00 H new ATOM 0 HA LYS A 66 10.855 -15.052 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.032 -16.319 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.842 -15.410 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.722 -16.922 0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.221 -17.981 2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.906 -17.979 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.400 -16.892 1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.588 -18.900 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.961 -19.807 1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.346 -19.670 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.767 -18.853 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.375 -17.973 -0.179 1.00 0.00 H new ATOM 1035 N LYS A 67 10.952 -13.373 3.882 1.00 0.00 N ATOM 1036 CA LYS A 67 10.765 -12.052 4.470 1.00 0.00 C ATOM 1037 C LYS A 67 11.566 -10.997 3.713 1.00 0.00 C ATOM 1038 O LYS A 67 11.193 -9.824 3.681 1.00 0.00 O ATOM 1039 CB LYS A 67 11.178 -12.063 5.944 1.00 0.00 C ATOM 1040 CG LYS A 67 10.015 -12.287 6.899 1.00 0.00 C ATOM 1041 CD LYS A 67 10.312 -13.396 7.895 1.00 0.00 C ATOM 1042 CE LYS A 67 9.432 -13.289 9.129 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.172 -12.730 10.294 1.00 0.00 N ATOM 0 H LYS A 67 11.350 -14.065 4.517 1.00 0.00 H new ATOM 0 HA LYS A 67 9.708 -11.798 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.921 -12.845 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.659 -11.115 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.802 -11.363 7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.120 -12.539 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.157 -14.364 7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.360 -13.350 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.572 -12.656 8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.044 -14.275 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.536 -12.674 11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.978 -13.347 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.520 -11.778 10.060 1.00 0.00 H new ATOM 1057 N ALA A 68 12.671 -11.419 3.106 1.00 0.00 N ATOM 1058 CA ALA A 68 13.524 -10.510 2.349 1.00 0.00 C ATOM 1059 C ALA A 68 12.748 -9.832 1.225 1.00 0.00 C ATOM 1060 O ALA A 68 13.047 -8.698 0.848 1.00 0.00 O ATOM 1061 CB ALA A 68 14.723 -11.258 1.788 1.00 0.00 C ATOM 0 H ALA A 68 12.997 -12.385 3.124 1.00 0.00 H new ATOM 0 HA ALA A 68 13.877 -9.734 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.352 -10.568 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.299 -11.688 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.379 -12.055 1.129 1.00 0.00 H new ATOM 1067 N LYS A 69 11.752 -10.531 0.693 1.00 0.00 N ATOM 1068 CA LYS A 69 10.934 -9.995 -0.389 1.00 0.00 C ATOM 1069 C LYS A 69 10.183 -8.747 0.063 1.00 0.00 C ATOM 1070 O LYS A 69 10.105 -7.759 -0.666 1.00 0.00 O ATOM 1071 CB LYS A 69 9.942 -11.053 -0.879 1.00 0.00 C ATOM 1072 CG LYS A 69 10.456 -11.868 -2.056 1.00 0.00 C ATOM 1073 CD LYS A 69 9.745 -11.495 -3.348 1.00 0.00 C ATOM 1074 CE LYS A 69 8.619 -12.465 -3.664 1.00 0.00 C ATOM 1075 NZ LYS A 69 7.294 -11.938 -3.237 1.00 0.00 N ATOM 0 H LYS A 69 11.491 -11.470 0.993 1.00 0.00 H new ATOM 0 HA LYS A 69 11.596 -9.720 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.706 -11.727 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.012 -10.562 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.528 -11.707 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.313 -12.930 -1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.344 -10.485 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.461 -11.487 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.602 -12.664 -4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.809 -13.416 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.554 -12.630 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.301 -11.772 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.100 -11.044 -3.731 1.00 0.00 H new ATOM 1089 N TYR A 70 9.629 -8.801 1.270 1.00 0.00 N ATOM 1090 CA TYR A 70 8.882 -7.674 1.819 1.00 0.00 C ATOM 1091 C TYR A 70 9.807 -6.720 2.569 1.00 0.00 C ATOM 1092 O TYR A 70 9.583 -5.510 2.588 1.00 0.00 O ATOM 1093 CB TYR A 70 7.780 -8.173 2.754 1.00 0.00 C ATOM 1094 CG TYR A 70 6.925 -9.267 2.155 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.837 -8.959 1.346 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.205 -10.605 2.396 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.053 -9.956 0.796 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.427 -11.608 1.849 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.353 -11.277 1.050 1.00 0.00 C ATOM 1100 OH TYR A 70 4.574 -12.272 0.504 1.00 0.00 O ATOM 0 H TYR A 70 9.683 -9.612 1.886 1.00 0.00 H new ATOM 0 HA TYR A 70 8.428 -7.133 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.235 -8.542 3.673 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.141 -7.334 3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.601 -7.925 1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.045 -10.867 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.210 -9.701 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.659 -12.644 2.046 1.00 0.00 H new ATOM 0 HH TYR A 70 4.920 -13.147 0.779 1.00 0.00 H new ATOM 1110 N LYS A 71 10.847 -7.273 3.184 1.00 0.00 N ATOM 1111 CA LYS A 71 11.806 -6.471 3.934 1.00 0.00 C ATOM 1112 C LYS A 71 12.522 -5.482 3.020 1.00 0.00 C ATOM 1113 O LYS A 71 12.901 -4.391 3.445 1.00 0.00 O ATOM 1114 CB LYS A 71 12.826 -7.377 4.629 1.00 0.00 C ATOM 1115 CG LYS A 71 12.492 -7.662 6.084 1.00 0.00 C ATOM 1116 CD LYS A 71 13.557 -8.525 6.741 1.00 0.00 C ATOM 1117 CE LYS A 71 13.105 -9.027 8.103 1.00 0.00 C ATOM 1118 NZ LYS A 71 14.226 -9.060 9.082 1.00 0.00 N ATOM 0 H LYS A 71 11.047 -8.273 3.178 1.00 0.00 H new ATOM 0 HA LYS A 71 11.259 -5.906 4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.890 -8.321 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.810 -6.911 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.397 -6.722 6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.526 -8.164 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.787 -9.374 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.476 -7.950 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.311 -8.384 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.683 -10.027 8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.877 -9.408 9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.973 -9.694 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.612 -8.102 9.200 1.00 0.00 H new ATOM 1132 N ALA A 72 12.704 -5.871 1.762 1.00 0.00 N ATOM 1133 CA ALA A 72 13.374 -5.018 0.788 1.00 0.00 C ATOM 1134 C ALA A 72 12.496 -3.833 0.400 1.00 0.00 C ATOM 1135 O ALA A 72 12.966 -2.698 0.325 1.00 0.00 O ATOM 1136 CB ALA A 72 13.753 -5.823 -0.447 1.00 0.00 C ATOM 0 H ALA A 72 12.397 -6.771 1.394 1.00 0.00 H new ATOM 0 HA ALA A 72 14.283 -4.629 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.252 -5.173 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.425 -6.632 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.853 -6.241 -0.899 1.00 0.00 H new ATOM 1142 N ARG A 73 11.219 -4.106 0.154 1.00 0.00 N ATOM 1143 CA ARG A 73 10.273 -3.063 -0.226 1.00 0.00 C ATOM 1144 C ARG A 73 10.102 -2.044 0.897 1.00 0.00 C ATOM 1145 O ARG A 73 9.787 -0.881 0.649 1.00 0.00 O ATOM 1146 CB ARG A 73 8.919 -3.679 -0.581 1.00 0.00 C ATOM 1147 CG ARG A 73 8.928 -4.461 -1.884 1.00 0.00 C ATOM 1148 CD ARG A 73 7.861 -5.544 -1.891 1.00 0.00 C ATOM 1149 NE ARG A 73 7.561 -6.007 -3.244 1.00 0.00 N ATOM 1150 CZ ARG A 73 8.387 -6.755 -3.972 1.00 0.00 C ATOM 1151 NH1 ARG A 73 9.564 -7.126 -3.483 1.00 0.00 N ATOM 1152 NH2 ARG A 73 8.035 -7.134 -5.192 1.00 0.00 N ATOM 0 H ARG A 73 10.815 -5.041 0.211 1.00 0.00 H new ATOM 0 HA ARG A 73 10.672 -2.548 -1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.607 -4.340 0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.175 -2.885 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.763 -3.780 -2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.909 -4.914 -2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.195 -6.386 -1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.951 -5.160 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 73 6.666 -5.741 -3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.840 -6.838 -2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.192 -7.699 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.132 -6.853 -5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.668 -7.707 -5.750 1.00 0.00 H new ATOM 1166 N GLU A 74 10.313 -2.490 2.132 1.00 0.00 N ATOM 1167 CA GLU A 74 10.181 -1.618 3.294 1.00 0.00 C ATOM 1168 C GLU A 74 11.091 -0.400 3.170 1.00 0.00 C ATOM 1169 O GLU A 74 10.685 0.724 3.461 1.00 0.00 O ATOM 1170 CB GLU A 74 10.511 -2.388 4.574 1.00 0.00 C ATOM 1171 CG GLU A 74 10.371 -1.555 5.839 1.00 0.00 C ATOM 1172 CD GLU A 74 11.702 -1.037 6.347 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.499 -0.541 5.523 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.948 -1.127 7.567 1.00 0.00 O ATOM 0 H GLU A 74 10.576 -3.450 2.353 1.00 0.00 H new ATOM 0 HA GLU A 74 9.148 -1.272 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.855 -3.255 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.532 -2.765 4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.708 -0.712 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.899 -2.157 6.616 1.00 0.00 H new ATOM 1181 N ALA A 75 12.326 -0.632 2.736 1.00 0.00 N ATOM 1182 CA ALA A 75 13.294 0.446 2.574 1.00 0.00 C ATOM 1183 C ALA A 75 12.799 1.484 1.574 1.00 0.00 C ATOM 1184 O ALA A 75 12.870 2.687 1.826 1.00 0.00 O ATOM 1185 CB ALA A 75 14.638 -0.115 2.134 1.00 0.00 C ATOM 0 H ALA A 75 12.679 -1.557 2.490 1.00 0.00 H new ATOM 0 HA ALA A 75 13.416 0.940 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.352 0.700 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.005 -0.813 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.522 -0.635 1.183 1.00 0.00 H new ATOM 1191 N ALA A 76 12.298 1.013 0.437 1.00 0.00 N ATOM 1192 CA ALA A 76 11.791 1.902 -0.602 1.00 0.00 C ATOM 1193 C ALA A 76 10.470 2.539 -0.186 1.00 0.00 C ATOM 1194 O ALA A 76 10.157 3.660 -0.587 1.00 0.00 O ATOM 1195 CB ALA A 76 11.624 1.142 -1.909 1.00 0.00 C ATOM 0 H ALA A 76 12.232 0.020 0.212 1.00 0.00 H new ATOM 0 HA ALA A 76 12.518 2.701 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.245 1.817 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.588 0.741 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.919 0.323 -1.766 1.00 0.00 H new ATOM 1201 N LEU A 77 9.698 1.817 0.621 1.00 0.00 N ATOM 1202 CA LEU A 77 8.410 2.314 1.092 1.00 0.00 C ATOM 1203 C LEU A 77 8.589 3.292 2.248 1.00 0.00 C ATOM 1204 O LEU A 77 7.775 4.194 2.442 1.00 0.00 O ATOM 1205 CB LEU A 77 7.519 1.148 1.526 1.00 0.00 C ATOM 1206 CG LEU A 77 6.947 0.308 0.382 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.090 -0.822 0.927 1.00 0.00 C ATOM 1208 CD2 LEU A 77 6.141 1.182 -0.567 1.00 0.00 C ATOM 0 H LEU A 77 9.942 0.887 0.962 1.00 0.00 H new ATOM 0 HA LEU A 77 7.931 2.843 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.095 0.496 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.691 1.543 2.115 1.00 0.00 H new ATOM 0 HG LEU A 77 7.776 -0.129 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.692 -1.409 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.697 -1.463 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.266 -0.406 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.741 0.569 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.319 1.647 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.785 1.957 -0.984 1.00 0.00 H new ATOM 1220 N LYS A 78 9.659 3.106 3.016 1.00 0.00 N ATOM 1221 CA LYS A 78 9.942 3.972 4.155 1.00 0.00 C ATOM 1222 C LYS A 78 10.085 5.426 3.712 1.00 0.00 C ATOM 1223 O LYS A 78 9.705 6.346 4.437 1.00 0.00 O ATOM 1224 CB LYS A 78 11.218 3.514 4.867 1.00 0.00 C ATOM 1225 CG LYS A 78 11.071 3.421 6.376 1.00 0.00 C ATOM 1226 CD LYS A 78 12.342 3.857 7.088 1.00 0.00 C ATOM 1227 CE LYS A 78 13.472 2.864 6.867 1.00 0.00 C ATOM 1228 NZ LYS A 78 14.798 3.446 7.211 1.00 0.00 N ATOM 0 H LYS A 78 10.343 2.364 2.870 1.00 0.00 H new ATOM 0 HA LYS A 78 9.104 3.904 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.511 2.539 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.025 4.208 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.239 4.045 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.829 2.396 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.644 4.840 6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.147 3.956 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.298 1.975 7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.475 2.544 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.541 2.737 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.976 4.280 6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.804 3.728 8.212 1.00 0.00 H new