USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 34 MET CE :methyl 148:sc= -2.27 (180deg=-1.56) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.248 X(o=-1.9,f=-1.9) USER MOD Set 1.3: A 37 TYR OH : rot -167:sc= 0.72 USER MOD Set 1.4: A 70 HIS : no HD1:sc= -0.0751 K(o=-1.9,f=-11!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.174 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.135 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 53 THR OG1 : rot -49:sc= 0.211 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 MET CE :methyl 143:sc= -0.299 (180deg=-1.68) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.734 K(o=-0.73,f=-2.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.777 K(o=-0.78,f=-2.9!) USER MOD Single : A 77 SER OG : rot 123:sc= 0.684 USER MOD Single : A 79 HIS : no HD1:sc= -0.097 X(o=-0.097,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -164:sc= -0.599 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 29.139 -25.002 27.232 1.00 0.00 N ATOM 331 CA VAL A 25 27.885 -24.318 26.939 1.00 0.00 C ATOM 332 C VAL A 25 28.130 -23.036 26.151 1.00 0.00 C ATOM 333 O VAL A 25 27.463 -22.773 25.150 1.00 0.00 O ATOM 334 CB VAL A 25 27.117 -23.976 28.230 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.824 -23.244 27.904 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.838 -25.237 29.033 1.00 0.00 C ATOM 0 HA VAL A 25 27.284 -25.001 26.338 1.00 0.00 H new ATOM 0 HB VAL A 25 27.737 -23.316 28.837 1.00 0.00 H new ATOM 0 HG11 VAL A 25 25.295 -23.011 28.828 1.00 0.00 H new ATOM 0 HG12 VAL A 25 26.053 -22.320 27.374 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.196 -23.876 27.276 1.00 0.00 H new ATOM 0 HG21 VAL A 25 26.295 -24.977 29.942 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.238 -25.924 28.436 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.781 -25.716 29.298 1.00 0.00 H new ATOM 346 N ASP A 26 29.090 -22.241 26.609 1.00 0.00 N ATOM 347 CA ASP A 26 29.425 -20.985 25.947 1.00 0.00 C ATOM 348 C ASP A 26 29.761 -21.219 24.477 1.00 0.00 C ATOM 349 O ASP A 26 29.466 -20.384 23.622 1.00 0.00 O ATOM 350 CB ASP A 26 30.603 -20.311 26.651 1.00 0.00 C ATOM 351 CG ASP A 26 31.942 -20.819 26.155 1.00 0.00 C ATOM 352 OD1 ASP A 26 32.440 -21.820 26.712 1.00 0.00 O ATOM 353 OD2 ASP A 26 32.494 -20.216 25.210 1.00 0.00 O ATOM 0 H ASP A 26 29.651 -22.444 27.437 1.00 0.00 H new ATOM 0 HA ASP A 26 28.556 -20.330 26.003 1.00 0.00 H new ATOM 0 HB2 ASP A 26 30.547 -19.234 26.496 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.528 -20.483 27.725 1.00 0.00 H new ATOM 358 N ASP A 27 30.379 -22.360 24.191 1.00 0.00 N ATOM 359 CA ASP A 27 30.755 -22.704 22.825 1.00 0.00 C ATOM 360 C ASP A 27 29.536 -23.146 22.021 1.00 0.00 C ATOM 361 O ASP A 27 29.333 -22.704 20.890 1.00 0.00 O ATOM 362 CB ASP A 27 31.809 -23.813 22.827 1.00 0.00 C ATOM 363 CG ASP A 27 32.805 -23.666 21.694 1.00 0.00 C ATOM 364 OD1 ASP A 27 32.534 -22.880 20.763 1.00 0.00 O ATOM 365 OD2 ASP A 27 33.857 -24.337 21.740 1.00 0.00 O ATOM 0 H ASP A 27 30.630 -23.062 24.887 1.00 0.00 H new ATOM 0 HA ASP A 27 31.175 -21.815 22.355 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.341 -23.803 23.778 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.314 -24.781 22.749 1.00 0.00 H new ATOM 370 N TRP A 28 28.729 -24.020 22.612 1.00 0.00 N ATOM 371 CA TRP A 28 27.531 -24.522 21.950 1.00 0.00 C ATOM 372 C TRP A 28 26.601 -23.376 21.564 1.00 0.00 C ATOM 373 O TRP A 28 26.243 -23.221 20.395 1.00 0.00 O ATOM 374 CB TRP A 28 26.795 -25.507 22.860 1.00 0.00 C ATOM 375 CG TRP A 28 25.387 -25.779 22.425 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.962 -26.080 21.162 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.218 -25.774 23.253 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.600 -26.261 21.155 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.120 -26.080 22.425 1.00 0.00 C ATOM 380 CE3 TRP A 28 23.993 -25.542 24.612 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.819 -26.158 22.915 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.701 -25.620 25.096 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.628 -25.927 24.250 1.00 0.00 C ATOM 0 H TRP A 28 28.883 -24.395 23.548 1.00 0.00 H new ATOM 0 HA TRP A 28 27.838 -25.038 21.040 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.347 -26.447 22.888 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.784 -25.113 23.876 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.602 -26.163 20.296 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.037 -26.493 20.336 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.814 -25.306 25.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.990 -26.393 22.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.516 -25.441 26.145 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.630 -25.983 24.659 1.00 0.00 H new ATOM 394 N LEU A 29 26.214 -22.576 22.551 1.00 0.00 N ATOM 395 CA LEU A 29 25.326 -21.444 22.314 1.00 0.00 C ATOM 396 C LEU A 29 25.905 -20.509 21.257 1.00 0.00 C ATOM 397 O LEU A 29 25.170 -19.921 20.464 1.00 0.00 O ATOM 398 CB LEU A 29 25.089 -20.675 23.616 1.00 0.00 C ATOM 399 CG LEU A 29 24.269 -21.401 24.684 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.244 -20.597 25.974 1.00 0.00 C ATOM 401 CD2 LEU A 29 22.855 -21.659 24.186 1.00 0.00 C ATOM 0 H LEU A 29 26.501 -22.690 23.523 1.00 0.00 H new ATOM 0 HA LEU A 29 24.375 -21.831 21.949 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.058 -20.416 24.043 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.587 -19.738 23.375 1.00 0.00 H new ATOM 0 HG LEU A 29 24.741 -22.362 24.888 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.656 -21.128 26.723 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.262 -20.464 26.340 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.796 -19.621 25.786 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.286 -22.176 24.958 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.372 -20.710 23.954 1.00 0.00 H new ATOM 0 HD23 LEU A 29 22.892 -22.276 23.288 1.00 0.00 H new ATOM 413 N SER A 30 27.228 -20.378 21.251 1.00 0.00 N ATOM 414 CA SER A 30 27.906 -19.514 20.292 1.00 0.00 C ATOM 415 C SER A 30 27.829 -20.099 18.885 1.00 0.00 C ATOM 416 O SER A 30 28.041 -19.396 17.897 1.00 0.00 O ATOM 417 CB SER A 30 29.369 -19.318 20.696 1.00 0.00 C ATOM 418 OG SER A 30 29.970 -18.278 19.944 1.00 0.00 O ATOM 0 H SER A 30 27.851 -20.859 21.899 1.00 0.00 H new ATOM 0 HA SER A 30 27.404 -18.547 20.293 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.428 -19.084 21.759 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.919 -20.246 20.543 1.00 0.00 H new ATOM 0 HG SER A 30 30.904 -18.171 20.222 1.00 0.00 H new ATOM 424 N ALA A 31 27.526 -21.390 18.803 1.00 0.00 N ATOM 425 CA ALA A 31 27.419 -22.070 17.518 1.00 0.00 C ATOM 426 C ALA A 31 25.998 -21.986 16.969 1.00 0.00 C ATOM 427 O ALA A 31 25.739 -22.376 15.830 1.00 0.00 O ATOM 428 CB ALA A 31 27.850 -23.523 17.652 1.00 0.00 C ATOM 0 H ALA A 31 27.350 -21.986 19.612 1.00 0.00 H new ATOM 0 HA ALA A 31 28.083 -21.569 16.814 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.765 -24.018 16.685 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.885 -23.566 17.992 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.209 -24.027 18.376 1.00 0.00 H new ATOM 434 N ILE A 32 25.083 -21.475 17.786 1.00 0.00 N ATOM 435 CA ILE A 32 23.689 -21.340 17.381 1.00 0.00 C ATOM 436 C ILE A 32 23.228 -19.890 17.474 1.00 0.00 C ATOM 437 O ILE A 32 22.036 -19.598 17.372 1.00 0.00 O ATOM 438 CB ILE A 32 22.764 -22.218 18.244 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.084 -22.026 19.729 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.904 -23.681 17.851 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.207 -22.850 20.646 1.00 0.00 C ATOM 0 H ILE A 32 25.282 -21.148 18.732 1.00 0.00 H new ATOM 0 HA ILE A 32 23.628 -21.672 16.345 1.00 0.00 H new ATOM 0 HB ILE A 32 21.732 -21.913 18.071 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.127 -22.288 19.905 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.973 -20.972 19.983 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.244 -24.289 18.470 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.633 -23.804 16.802 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.936 -24.000 17.999 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.489 -22.665 21.682 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.164 -22.572 20.498 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.336 -23.908 20.419 1.00 0.00 H new ATOM 453 N LYS A 33 24.180 -18.983 17.666 1.00 0.00 N ATOM 454 CA LYS A 33 23.873 -17.561 17.770 1.00 0.00 C ATOM 455 C LYS A 33 23.078 -17.267 19.038 1.00 0.00 C ATOM 456 O LYS A 33 22.526 -16.179 19.197 1.00 0.00 O ATOM 457 CB LYS A 33 23.085 -17.097 16.543 1.00 0.00 C ATOM 458 CG LYS A 33 23.632 -17.633 15.231 1.00 0.00 C ATOM 459 CD LYS A 33 23.802 -16.525 14.204 1.00 0.00 C ATOM 460 CE LYS A 33 22.550 -16.351 13.359 1.00 0.00 C ATOM 461 NZ LYS A 33 22.874 -15.939 11.966 1.00 0.00 N ATOM 0 H LYS A 33 25.171 -19.207 17.753 1.00 0.00 H new ATOM 0 HA LYS A 33 24.815 -17.015 17.818 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.046 -17.410 16.649 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.088 -16.007 16.510 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.592 -18.118 15.407 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.958 -18.394 14.838 1.00 0.00 H new ATOM 0 HD2 LYS A 33 24.032 -15.589 14.712 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.649 -16.753 13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.992 -17.287 13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.903 -15.603 13.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.994 -15.831 11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.385 -15.033 11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.470 -16.665 11.519 1.00 0.00 H new ATOM 475 N MET A 34 23.026 -18.244 19.938 1.00 0.00 N ATOM 476 CA MET A 34 22.301 -18.087 21.194 1.00 0.00 C ATOM 477 C MET A 34 23.267 -17.889 22.358 1.00 0.00 C ATOM 478 O MET A 34 22.929 -18.159 23.511 1.00 0.00 O ATOM 479 CB MET A 34 21.416 -19.308 21.452 1.00 0.00 C ATOM 480 CG MET A 34 20.486 -19.640 20.297 1.00 0.00 C ATOM 481 SD MET A 34 19.403 -18.265 19.862 1.00 0.00 S ATOM 482 CE MET A 34 18.286 -18.257 21.262 1.00 0.00 C ATOM 0 H MET A 34 23.477 -19.152 19.821 1.00 0.00 H new ATOM 0 HA MET A 34 21.671 -17.201 21.113 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.051 -20.170 21.656 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.821 -19.132 22.348 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.079 -19.920 19.427 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.879 -20.506 20.561 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.962 -17.236 21.463 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.417 -18.876 21.038 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.798 -18.654 22.138 1.00 0.00 H new ATOM 492 N VAL A 35 24.470 -17.416 22.049 1.00 0.00 N ATOM 493 CA VAL A 35 25.484 -17.181 23.070 1.00 0.00 C ATOM 494 C VAL A 35 24.988 -16.193 24.120 1.00 0.00 C ATOM 495 O VAL A 35 25.501 -16.152 25.238 1.00 0.00 O ATOM 496 CB VAL A 35 26.789 -16.644 22.452 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.768 -15.125 22.395 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.993 -17.140 23.239 1.00 0.00 C ATOM 0 H VAL A 35 24.766 -17.188 21.100 1.00 0.00 H new ATOM 0 HA VAL A 35 25.684 -18.142 23.545 1.00 0.00 H new ATOM 0 HB VAL A 35 26.870 -17.020 21.432 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.698 -14.764 21.956 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.927 -14.795 21.785 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.664 -14.724 23.403 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.907 -16.752 22.789 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.921 -16.795 24.270 1.00 0.00 H new ATOM 0 HG23 VAL A 35 28.015 -18.230 23.222 1.00 0.00 H new ATOM 508 N GLN A 36 23.987 -15.400 23.752 1.00 0.00 N ATOM 509 CA GLN A 36 23.422 -14.412 24.663 1.00 0.00 C ATOM 510 C GLN A 36 22.958 -15.068 25.959 1.00 0.00 C ATOM 511 O GLN A 36 22.891 -14.422 27.005 1.00 0.00 O ATOM 512 CB GLN A 36 22.251 -13.685 23.999 1.00 0.00 C ATOM 513 CG GLN A 36 21.031 -14.566 23.785 1.00 0.00 C ATOM 514 CD GLN A 36 19.973 -13.900 22.927 1.00 0.00 C ATOM 515 OE1 GLN A 36 19.732 -12.697 23.040 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.335 -14.679 22.063 1.00 0.00 N ATOM 0 H GLN A 36 23.551 -15.422 22.830 1.00 0.00 H new ATOM 0 HA GLN A 36 24.202 -13.689 24.902 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.969 -12.831 24.614 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.577 -13.291 23.037 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.340 -15.500 23.315 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.600 -14.824 24.752 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.567 -15.671 22.003 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.613 -14.286 21.459 1.00 0.00 H new ATOM 525 N TYR A 37 22.639 -16.355 25.883 1.00 0.00 N ATOM 526 CA TYR A 37 22.179 -17.099 27.050 1.00 0.00 C ATOM 527 C TYR A 37 23.308 -17.935 27.644 1.00 0.00 C ATOM 528 O TYR A 37 23.069 -18.968 28.268 1.00 0.00 O ATOM 529 CB TYR A 37 21.004 -18.003 26.673 1.00 0.00 C ATOM 530 CG TYR A 37 19.797 -17.248 26.163 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.020 -16.480 27.022 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.434 -17.303 24.824 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.917 -15.789 26.561 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.333 -16.614 24.353 1.00 0.00 C ATOM 535 CZ TYR A 37 17.577 -15.858 25.226 1.00 0.00 C ATOM 536 OH TYR A 37 16.479 -15.171 24.762 1.00 0.00 O ATOM 0 H TYR A 37 22.690 -16.905 25.026 1.00 0.00 H new ATOM 0 HA TYR A 37 21.851 -16.380 27.801 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.330 -18.708 25.909 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.713 -18.589 27.545 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.283 -16.423 28.068 1.00 0.00 H new ATOM 0 HD2 TYR A 37 20.023 -17.895 24.139 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.323 -15.197 27.242 1.00 0.00 H new ATOM 0 HE2 TYR A 37 18.065 -16.667 23.308 1.00 0.00 H new ATOM 0 HH TYR A 37 16.255 -15.483 23.860 1.00 0.00 H new ATOM 546 N ARG A 38 24.541 -17.479 27.444 1.00 0.00 N ATOM 547 CA ARG A 38 25.709 -18.183 27.959 1.00 0.00 C ATOM 548 C ARG A 38 25.807 -18.038 29.475 1.00 0.00 C ATOM 549 O ARG A 38 26.392 -18.883 30.153 1.00 0.00 O ATOM 550 CB ARG A 38 26.983 -17.651 27.301 1.00 0.00 C ATOM 551 CG ARG A 38 27.304 -16.212 27.671 1.00 0.00 C ATOM 552 CD ARG A 38 28.728 -15.842 27.284 1.00 0.00 C ATOM 553 NE ARG A 38 28.811 -15.349 25.912 1.00 0.00 N ATOM 554 CZ ARG A 38 29.919 -14.848 25.377 1.00 0.00 C ATOM 555 NH1 ARG A 38 31.031 -14.775 26.095 1.00 0.00 N ATOM 556 NH2 ARG A 38 29.916 -14.419 24.122 1.00 0.00 N ATOM 0 H ARG A 38 24.756 -16.625 26.929 1.00 0.00 H new ATOM 0 HA ARG A 38 25.599 -19.241 27.719 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.822 -18.286 27.586 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.881 -17.725 26.218 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.604 -15.542 27.172 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.169 -16.072 28.744 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.103 -15.079 27.967 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.372 -16.714 27.396 1.00 0.00 H new ATOM 0 HE ARG A 38 27.972 -15.392 25.333 1.00 0.00 H new ATOM 0 HH11 ARG A 38 31.037 -15.104 27.060 1.00 0.00 H new ATOM 0 HH12 ARG A 38 31.880 -14.390 25.682 1.00 0.00 H new ATOM 0 HH21 ARG A 38 29.062 -14.474 23.566 1.00 0.00 H new ATOM 0 HH22 ARG A 38 30.767 -14.035 23.712 1.00 0.00 H new ATOM 570 N ASP A 39 25.232 -16.961 29.999 1.00 0.00 N ATOM 571 CA ASP A 39 25.255 -16.705 31.434 1.00 0.00 C ATOM 572 C ASP A 39 24.057 -17.354 32.121 1.00 0.00 C ATOM 573 O ASP A 39 24.126 -17.725 33.293 1.00 0.00 O ATOM 574 CB ASP A 39 25.260 -15.200 31.705 1.00 0.00 C ATOM 575 CG ASP A 39 26.657 -14.658 31.935 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.507 -14.808 31.033 1.00 0.00 O ATOM 577 OD2 ASP A 39 26.900 -14.083 33.017 1.00 0.00 O ATOM 0 H ASP A 39 24.745 -16.252 29.452 1.00 0.00 H new ATOM 0 HA ASP A 39 26.166 -17.143 31.842 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.806 -14.680 30.861 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.643 -14.989 32.579 1.00 0.00 H new ATOM 582 N SER A 40 22.959 -17.487 31.384 1.00 0.00 N ATOM 583 CA SER A 40 21.744 -18.086 31.923 1.00 0.00 C ATOM 584 C SER A 40 21.990 -19.533 32.338 1.00 0.00 C ATOM 585 O SER A 40 21.557 -19.967 33.406 1.00 0.00 O ATOM 586 CB SER A 40 20.618 -18.025 30.889 1.00 0.00 C ATOM 587 OG SER A 40 19.631 -17.080 31.265 1.00 0.00 O ATOM 0 H SER A 40 22.886 -17.188 30.412 1.00 0.00 H new ATOM 0 HA SER A 40 21.449 -17.518 32.805 1.00 0.00 H new ATOM 0 HB2 SER A 40 21.028 -17.759 29.915 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.162 -19.010 30.785 1.00 0.00 H new ATOM 0 HG SER A 40 18.923 -17.059 30.587 1.00 0.00 H new ATOM 593 N PHE A 41 22.690 -20.276 31.487 1.00 0.00 N ATOM 594 CA PHE A 41 22.994 -21.675 31.764 1.00 0.00 C ATOM 595 C PHE A 41 24.079 -21.795 32.830 1.00 0.00 C ATOM 596 O PHE A 41 23.990 -22.630 33.731 1.00 0.00 O ATOM 597 CB PHE A 41 23.440 -22.385 30.484 1.00 0.00 C ATOM 598 CG PHE A 41 22.308 -22.704 29.549 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.384 -23.685 29.869 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.168 -22.021 28.352 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.342 -23.981 29.010 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.128 -22.312 27.489 1.00 0.00 C ATOM 603 CZ PHE A 41 20.213 -23.293 27.820 1.00 0.00 C ATOM 0 H PHE A 41 23.057 -19.932 30.600 1.00 0.00 H new ATOM 0 HA PHE A 41 22.087 -22.151 32.138 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.164 -21.758 29.964 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.952 -23.310 30.751 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.479 -24.225 30.800 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.880 -21.252 28.090 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.629 -24.750 29.270 1.00 0.00 H new ATOM 0 HE2 PHE A 41 21.031 -21.774 26.558 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.398 -23.521 27.149 1.00 0.00 H new ATOM 613 N LEU A 42 25.103 -20.956 32.720 1.00 0.00 N ATOM 614 CA LEU A 42 26.207 -20.967 33.674 1.00 0.00 C ATOM 615 C LEU A 42 25.699 -20.757 35.097 1.00 0.00 C ATOM 616 O LEU A 42 25.855 -21.623 35.958 1.00 0.00 O ATOM 617 CB LEU A 42 27.225 -19.883 33.318 1.00 0.00 C ATOM 618 CG LEU A 42 28.161 -20.198 32.150 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.876 -18.940 31.684 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.166 -21.270 32.547 1.00 0.00 C ATOM 0 H LEU A 42 25.192 -20.260 31.980 1.00 0.00 H new ATOM 0 HA LEU A 42 26.691 -21.942 33.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.683 -18.966 33.086 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.833 -19.680 34.200 1.00 0.00 H new ATOM 0 HG LEU A 42 27.563 -20.578 31.322 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.537 -19.184 30.853 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.141 -18.203 31.359 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.463 -18.529 32.506 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.824 -21.482 31.704 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.759 -20.918 33.391 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.635 -22.179 32.831 1.00 0.00 H new ATOM 632 N THR A 43 25.089 -19.600 35.336 1.00 0.00 N ATOM 633 CA THR A 43 24.557 -19.276 36.654 1.00 0.00 C ATOM 634 C THR A 43 23.531 -20.310 37.103 1.00 0.00 C ATOM 635 O THR A 43 23.392 -20.584 38.294 1.00 0.00 O ATOM 636 CB THR A 43 23.903 -17.881 36.668 1.00 0.00 C ATOM 637 OG1 THR A 43 23.555 -17.516 38.008 1.00 0.00 O ATOM 638 CG2 THR A 43 22.660 -17.857 35.792 1.00 0.00 C ATOM 0 H THR A 43 24.951 -18.872 34.635 1.00 0.00 H new ATOM 0 HA THR A 43 25.400 -19.282 37.345 1.00 0.00 H new ATOM 0 HB THR A 43 24.622 -17.164 36.272 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.141 -16.628 38.008 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.216 -16.862 35.818 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.933 -18.106 34.766 1.00 0.00 H new ATOM 0 HG23 THR A 43 21.939 -18.586 36.163 1.00 0.00 H new ATOM 646 N ALA A 44 22.814 -20.881 36.141 1.00 0.00 N ATOM 647 CA ALA A 44 21.802 -21.888 36.437 1.00 0.00 C ATOM 648 C ALA A 44 22.441 -23.172 36.956 1.00 0.00 C ATOM 649 O ALA A 44 21.781 -23.991 37.594 1.00 0.00 O ATOM 650 CB ALA A 44 20.965 -22.175 35.200 1.00 0.00 C ATOM 0 H ALA A 44 22.915 -20.663 35.150 1.00 0.00 H new ATOM 0 HA ALA A 44 21.152 -21.495 37.218 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.214 -22.929 35.436 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.471 -21.260 34.875 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.610 -22.543 34.402 1.00 0.00 H new ATOM 656 N GLY A 45 23.730 -23.341 36.676 1.00 0.00 N ATOM 657 CA GLY A 45 24.436 -24.529 37.121 1.00 0.00 C ATOM 658 C GLY A 45 24.854 -25.421 35.969 1.00 0.00 C ATOM 659 O GLY A 45 25.719 -26.283 36.124 1.00 0.00 O ATOM 0 H GLY A 45 24.298 -22.677 36.149 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.320 -24.232 37.686 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.798 -25.094 37.801 1.00 0.00 H new ATOM 663 N PHE A 46 24.237 -25.215 34.809 1.00 0.00 N ATOM 664 CA PHE A 46 24.549 -26.009 33.627 1.00 0.00 C ATOM 665 C PHE A 46 25.783 -25.464 32.915 1.00 0.00 C ATOM 666 O PHE A 46 25.679 -24.631 32.014 1.00 0.00 O ATOM 667 CB PHE A 46 23.357 -26.022 32.667 1.00 0.00 C ATOM 668 CG PHE A 46 22.045 -26.294 33.345 1.00 0.00 C ATOM 669 CD1 PHE A 46 21.792 -27.527 33.925 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.064 -25.317 33.402 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.585 -27.780 34.548 1.00 0.00 C ATOM 672 CE2 PHE A 46 19.855 -25.565 34.024 1.00 0.00 C ATOM 673 CZ PHE A 46 19.615 -26.797 34.599 1.00 0.00 C ATOM 0 H PHE A 46 23.519 -24.505 34.663 1.00 0.00 H new ATOM 0 HA PHE A 46 24.759 -27.029 33.950 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.301 -25.060 32.157 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.525 -26.779 31.902 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.547 -28.299 33.890 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.246 -24.351 32.955 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.400 -28.746 34.995 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.098 -24.795 34.060 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.672 -26.992 35.087 1.00 0.00 H new ATOM 683 N THR A 47 26.955 -25.939 33.327 1.00 0.00 N ATOM 684 CA THR A 47 28.210 -25.499 32.731 1.00 0.00 C ATOM 685 C THR A 47 28.672 -26.464 31.645 1.00 0.00 C ATOM 686 O THR A 47 29.405 -26.083 30.733 1.00 0.00 O ATOM 687 CB THR A 47 29.320 -25.369 33.792 1.00 0.00 C ATOM 688 OG1 THR A 47 29.559 -26.638 34.410 1.00 0.00 O ATOM 689 CG2 THR A 47 28.937 -24.347 34.852 1.00 0.00 C ATOM 0 H THR A 47 27.061 -26.629 34.071 1.00 0.00 H new ATOM 0 HA THR A 47 28.023 -24.521 32.288 1.00 0.00 H new ATOM 0 HB THR A 47 30.229 -25.031 33.295 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.267 -26.547 35.082 1.00 0.00 H new ATOM 0 HG21 THR A 47 29.735 -24.272 35.590 1.00 0.00 H new ATOM 0 HG22 THR A 47 28.785 -23.375 34.382 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.016 -24.661 35.344 1.00 0.00 H new ATOM 697 N SER A 48 28.237 -27.716 31.749 1.00 0.00 N ATOM 698 CA SER A 48 28.608 -28.737 30.777 1.00 0.00 C ATOM 699 C SER A 48 27.404 -29.150 29.935 1.00 0.00 C ATOM 700 O SER A 48 26.291 -29.278 30.445 1.00 0.00 O ATOM 701 CB SER A 48 29.191 -29.960 31.487 1.00 0.00 C ATOM 702 OG SER A 48 30.566 -29.774 31.778 1.00 0.00 O ATOM 0 H SER A 48 27.627 -28.047 32.497 1.00 0.00 H new ATOM 0 HA SER A 48 29.364 -28.315 30.115 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.642 -30.144 32.411 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.065 -30.843 30.860 1.00 0.00 H new ATOM 0 HG SER A 48 30.914 -30.569 32.233 1.00 0.00 H new ATOM 708 N LEU A 49 27.636 -29.356 28.643 1.00 0.00 N ATOM 709 CA LEU A 49 26.572 -29.754 27.729 1.00 0.00 C ATOM 710 C LEU A 49 25.897 -31.037 28.205 1.00 0.00 C ATOM 711 O LEU A 49 24.700 -31.232 27.998 1.00 0.00 O ATOM 712 CB LEU A 49 27.131 -29.951 26.319 1.00 0.00 C ATOM 713 CG LEU A 49 27.949 -28.790 25.753 1.00 0.00 C ATOM 714 CD1 LEU A 49 28.949 -29.294 24.724 1.00 0.00 C ATOM 715 CD2 LEU A 49 27.033 -27.741 25.140 1.00 0.00 C ATOM 0 H LEU A 49 28.552 -29.254 28.205 1.00 0.00 H new ATOM 0 HA LEU A 49 25.827 -28.959 27.710 1.00 0.00 H new ATOM 0 HB2 LEU A 49 27.756 -30.844 26.319 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.298 -30.146 25.643 1.00 0.00 H new ATOM 0 HG LEU A 49 28.502 -28.327 26.571 1.00 0.00 H new ATOM 0 HD11 LEU A 49 29.522 -28.454 24.332 1.00 0.00 H new ATOM 0 HD12 LEU A 49 29.626 -30.008 25.194 1.00 0.00 H new ATOM 0 HD13 LEU A 49 28.416 -29.782 23.908 1.00 0.00 H new ATOM 0 HD21 LEU A 49 27.633 -26.922 24.742 1.00 0.00 H new ATOM 0 HD22 LEU A 49 26.453 -28.191 24.334 1.00 0.00 H new ATOM 0 HD23 LEU A 49 26.357 -27.358 25.904 1.00 0.00 H new ATOM 727 N GLN A 50 26.673 -31.905 28.844 1.00 0.00 N ATOM 728 CA GLN A 50 26.149 -33.168 29.351 1.00 0.00 C ATOM 729 C GLN A 50 24.958 -32.932 30.275 1.00 0.00 C ATOM 730 O GLN A 50 24.094 -33.797 30.424 1.00 0.00 O ATOM 731 CB GLN A 50 27.242 -33.937 30.095 1.00 0.00 C ATOM 732 CG GLN A 50 26.791 -35.296 30.605 1.00 0.00 C ATOM 733 CD GLN A 50 27.852 -35.988 31.438 1.00 0.00 C ATOM 734 OE1 GLN A 50 28.230 -37.127 31.161 1.00 0.00 O ATOM 735 NE2 GLN A 50 28.339 -35.303 32.466 1.00 0.00 N ATOM 0 H GLN A 50 27.666 -31.758 29.023 1.00 0.00 H new ATOM 0 HA GLN A 50 25.814 -33.760 28.500 1.00 0.00 H new ATOM 0 HB2 GLN A 50 28.095 -34.073 29.431 1.00 0.00 H new ATOM 0 HB3 GLN A 50 27.586 -33.338 30.938 1.00 0.00 H new ATOM 0 HG2 GLN A 50 25.888 -35.174 31.203 1.00 0.00 H new ATOM 0 HG3 GLN A 50 26.529 -35.929 29.757 1.00 0.00 H new ATOM 0 HE21 GLN A 50 27.997 -34.362 32.659 1.00 0.00 H new ATOM 0 HE22 GLN A 50 29.055 -35.718 33.062 1.00 0.00 H new ATOM 744 N LEU A 51 24.919 -31.757 30.893 1.00 0.00 N ATOM 745 CA LEU A 51 23.835 -31.407 31.803 1.00 0.00 C ATOM 746 C LEU A 51 22.665 -30.788 31.044 1.00 0.00 C ATOM 747 O LEU A 51 21.519 -30.854 31.487 1.00 0.00 O ATOM 748 CB LEU A 51 24.334 -30.435 32.873 1.00 0.00 C ATOM 749 CG LEU A 51 25.532 -30.905 33.700 1.00 0.00 C ATOM 750 CD1 LEU A 51 26.127 -29.745 34.484 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.124 -32.032 34.637 1.00 0.00 C ATOM 0 H LEU A 51 25.626 -31.030 30.780 1.00 0.00 H new ATOM 0 HA LEU A 51 23.489 -32.322 32.285 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.599 -29.496 32.387 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.510 -30.220 33.553 1.00 0.00 H new ATOM 0 HG LEU A 51 26.294 -31.284 33.019 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.978 -30.098 35.066 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.457 -28.970 33.792 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.373 -29.335 35.156 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.989 -32.354 35.217 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.345 -31.679 35.312 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.746 -32.871 34.053 1.00 0.00 H new ATOM 763 N VAL A 52 22.963 -30.187 29.896 1.00 0.00 N ATOM 764 CA VAL A 52 21.936 -29.559 29.073 1.00 0.00 C ATOM 765 C VAL A 52 21.263 -30.579 28.162 1.00 0.00 C ATOM 766 O VAL A 52 20.119 -30.396 27.744 1.00 0.00 O ATOM 767 CB VAL A 52 22.524 -28.426 28.211 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.444 -27.805 27.338 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.179 -27.373 29.092 1.00 0.00 C ATOM 0 H VAL A 52 23.907 -30.122 29.515 1.00 0.00 H new ATOM 0 HA VAL A 52 21.195 -29.140 29.754 1.00 0.00 H new ATOM 0 HB VAL A 52 23.288 -28.848 27.558 1.00 0.00 H new ATOM 0 HG11 VAL A 52 21.877 -27.006 26.736 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.024 -28.567 26.682 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.656 -27.396 27.970 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.589 -26.580 28.467 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.436 -26.953 29.770 1.00 0.00 H new ATOM 0 HG23 VAL A 52 23.981 -27.831 29.671 1.00 0.00 H new ATOM 779 N THR A 53 21.980 -31.656 27.856 1.00 0.00 N ATOM 780 CA THR A 53 21.452 -32.706 26.993 1.00 0.00 C ATOM 781 C THR A 53 20.233 -33.372 27.620 1.00 0.00 C ATOM 782 O THR A 53 19.392 -33.933 26.918 1.00 0.00 O ATOM 783 CB THR A 53 22.516 -33.780 26.701 1.00 0.00 C ATOM 784 OG1 THR A 53 22.954 -34.382 27.924 1.00 0.00 O ATOM 785 CG2 THR A 53 23.708 -33.177 25.972 1.00 0.00 C ATOM 0 H THR A 53 22.928 -31.824 28.193 1.00 0.00 H new ATOM 0 HA THR A 53 21.161 -32.229 26.057 1.00 0.00 H new ATOM 0 HB THR A 53 22.066 -34.541 26.063 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.183 -33.681 28.570 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.446 -33.955 25.777 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.377 -32.746 25.027 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.156 -32.398 26.589 1.00 0.00 H new ATOM 793 N GLN A 54 20.143 -33.305 28.944 1.00 0.00 N ATOM 794 CA GLN A 54 19.025 -33.902 29.665 1.00 0.00 C ATOM 795 C GLN A 54 18.059 -32.829 30.157 1.00 0.00 C ATOM 796 O GLN A 54 17.396 -33.000 31.180 1.00 0.00 O ATOM 797 CB GLN A 54 19.536 -34.727 30.848 1.00 0.00 C ATOM 798 CG GLN A 54 20.388 -33.930 31.823 1.00 0.00 C ATOM 799 CD GLN A 54 20.896 -34.772 32.976 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.214 -34.935 33.989 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.100 -35.312 32.830 1.00 0.00 N ATOM 0 H GLN A 54 20.831 -32.843 29.539 1.00 0.00 H new ATOM 0 HA GLN A 54 18.491 -34.558 28.978 1.00 0.00 H new ATOM 0 HB2 GLN A 54 18.684 -35.147 31.382 1.00 0.00 H new ATOM 0 HB3 GLN A 54 20.120 -35.566 30.470 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.236 -33.500 31.291 1.00 0.00 H new ATOM 0 HG3 GLN A 54 19.803 -33.098 32.215 1.00 0.00 H new ATOM 0 HE21 GLN A 54 22.631 -35.151 31.974 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.494 -35.888 33.574 1.00 0.00 H new ATOM 810 N MET A 55 17.986 -31.724 29.422 1.00 0.00 N ATOM 811 CA MET A 55 17.100 -30.624 29.784 1.00 0.00 C ATOM 812 C MET A 55 15.875 -30.591 28.876 1.00 0.00 C ATOM 813 O MET A 55 15.740 -31.412 27.968 1.00 0.00 O ATOM 814 CB MET A 55 17.847 -29.291 29.702 1.00 0.00 C ATOM 815 CG MET A 55 18.840 -29.080 30.833 1.00 0.00 C ATOM 816 SD MET A 55 18.036 -28.891 32.436 1.00 0.00 S ATOM 817 CE MET A 55 18.301 -30.516 33.142 1.00 0.00 C ATOM 0 H MET A 55 18.529 -31.567 28.573 1.00 0.00 H new ATOM 0 HA MET A 55 16.766 -30.782 30.809 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.376 -29.238 28.750 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.122 -28.477 29.709 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.526 -29.927 30.872 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.439 -28.194 30.625 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.493 -30.421 34.211 1.00 0.00 H new ATOM 0 HE2 MET A 55 17.414 -31.130 32.985 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.158 -30.987 32.660 1.00 0.00 H new ATOM 827 N THR A 56 14.983 -29.637 29.126 1.00 0.00 N ATOM 828 CA THR A 56 13.769 -29.498 28.332 1.00 0.00 C ATOM 829 C THR A 56 13.363 -28.035 28.201 1.00 0.00 C ATOM 830 O THR A 56 13.962 -27.156 28.820 1.00 0.00 O ATOM 831 CB THR A 56 12.601 -30.290 28.949 1.00 0.00 C ATOM 832 OG1 THR A 56 11.493 -30.313 28.042 1.00 0.00 O ATOM 833 CG2 THR A 56 12.169 -29.676 30.271 1.00 0.00 C ATOM 0 H THR A 56 15.079 -28.949 29.873 1.00 0.00 H new ATOM 0 HA THR A 56 13.989 -29.901 27.344 1.00 0.00 H new ATOM 0 HB THR A 56 12.939 -31.309 29.135 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.755 -30.820 28.440 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.343 -30.253 30.687 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.007 -29.687 30.968 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.847 -28.648 30.107 1.00 0.00 H new ATOM 841 N SER A 57 12.340 -27.780 27.391 1.00 0.00 N ATOM 842 CA SER A 57 11.855 -26.421 27.177 1.00 0.00 C ATOM 843 C SER A 57 11.573 -25.729 28.507 1.00 0.00 C ATOM 844 O SER A 57 11.961 -24.579 28.714 1.00 0.00 O ATOM 845 CB SER A 57 10.587 -26.439 26.320 1.00 0.00 C ATOM 846 OG SER A 57 10.426 -27.690 25.673 1.00 0.00 O ATOM 0 H SER A 57 11.831 -28.496 26.872 1.00 0.00 H new ATOM 0 HA SER A 57 12.631 -25.863 26.654 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.718 -26.235 26.946 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.636 -25.645 25.575 1.00 0.00 H new ATOM 0 HG SER A 57 9.608 -27.676 25.133 1.00 0.00 H new ATOM 852 N GLU A 58 10.895 -26.437 29.404 1.00 0.00 N ATOM 853 CA GLU A 58 10.561 -25.890 30.714 1.00 0.00 C ATOM 854 C GLU A 58 11.814 -25.405 31.437 1.00 0.00 C ATOM 855 O GLU A 58 11.815 -24.338 32.052 1.00 0.00 O ATOM 856 CB GLU A 58 9.845 -26.942 31.563 1.00 0.00 C ATOM 857 CG GLU A 58 8.654 -27.579 30.866 1.00 0.00 C ATOM 858 CD GLU A 58 7.720 -28.282 31.832 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.204 -28.785 32.867 1.00 0.00 O ATOM 860 OE2 GLU A 58 6.503 -28.327 31.553 1.00 0.00 O ATOM 0 H GLU A 58 10.566 -27.390 29.248 1.00 0.00 H new ATOM 0 HA GLU A 58 9.896 -25.039 30.565 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.556 -27.722 31.835 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.508 -26.480 32.491 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.101 -26.811 30.325 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.011 -28.295 30.126 1.00 0.00 H new ATOM 867 N ASP A 59 12.879 -26.195 31.358 1.00 0.00 N ATOM 868 CA ASP A 59 14.139 -25.847 32.004 1.00 0.00 C ATOM 869 C ASP A 59 14.669 -24.516 31.479 1.00 0.00 C ATOM 870 O ASP A 59 15.400 -23.809 32.174 1.00 0.00 O ATOM 871 CB ASP A 59 15.175 -26.948 31.776 1.00 0.00 C ATOM 872 CG ASP A 59 14.799 -28.248 32.459 1.00 0.00 C ATOM 873 OD1 ASP A 59 14.283 -28.193 33.596 1.00 0.00 O ATOM 874 OD2 ASP A 59 15.019 -29.320 31.858 1.00 0.00 O ATOM 0 H ASP A 59 12.895 -27.081 30.853 1.00 0.00 H new ATOM 0 HA ASP A 59 13.955 -25.748 33.074 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.286 -27.122 30.706 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.144 -26.613 32.147 1.00 0.00 H new ATOM 879 N LEU A 60 14.297 -24.181 30.249 1.00 0.00 N ATOM 880 CA LEU A 60 14.736 -22.935 29.629 1.00 0.00 C ATOM 881 C LEU A 60 14.054 -21.735 30.279 1.00 0.00 C ATOM 882 O LEU A 60 14.663 -20.677 30.445 1.00 0.00 O ATOM 883 CB LEU A 60 14.437 -22.956 28.129 1.00 0.00 C ATOM 884 CG LEU A 60 14.696 -24.281 27.411 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.421 -24.143 25.922 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.125 -24.747 27.651 1.00 0.00 C ATOM 0 H LEU A 60 13.692 -24.754 29.661 1.00 0.00 H new ATOM 0 HA LEU A 60 15.812 -22.843 29.777 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.391 -22.685 27.984 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.036 -22.182 27.649 1.00 0.00 H new ATOM 0 HG LEU A 60 14.018 -25.031 27.817 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.611 -25.096 25.427 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.381 -23.855 25.769 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.074 -23.379 25.501 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.292 -25.691 27.133 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.820 -23.998 27.273 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.288 -24.886 28.720 1.00 0.00 H new ATOM 898 N LEU A 61 12.789 -21.907 30.646 1.00 0.00 N ATOM 899 CA LEU A 61 12.025 -20.838 31.280 1.00 0.00 C ATOM 900 C LEU A 61 12.437 -20.666 32.739 1.00 0.00 C ATOM 901 O LEU A 61 12.183 -19.626 33.347 1.00 0.00 O ATOM 902 CB LEU A 61 10.527 -21.134 31.192 1.00 0.00 C ATOM 903 CG LEU A 61 9.783 -20.491 30.022 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.463 -21.530 28.958 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.511 -19.812 30.507 1.00 0.00 C ATOM 0 H LEU A 61 12.271 -22.776 30.516 1.00 0.00 H new ATOM 0 HA LEU A 61 12.237 -19.909 30.750 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.394 -22.214 31.132 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.057 -20.806 32.119 1.00 0.00 H new ATOM 0 HG LEU A 61 10.428 -19.733 29.578 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.933 -21.054 28.133 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.389 -21.970 28.589 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.837 -22.311 29.389 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.994 -19.360 29.660 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.861 -20.550 30.977 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.765 -19.039 31.232 1.00 0.00 H new ATOM 917 N ARG A 62 13.074 -21.692 33.293 1.00 0.00 N ATOM 918 CA ARG A 62 13.521 -21.654 34.681 1.00 0.00 C ATOM 919 C ARG A 62 14.773 -20.793 34.825 1.00 0.00 C ATOM 920 O ARG A 62 14.933 -20.073 35.811 1.00 0.00 O ATOM 921 CB ARG A 62 13.802 -23.070 35.187 1.00 0.00 C ATOM 922 CG ARG A 62 12.598 -23.995 35.108 1.00 0.00 C ATOM 923 CD ARG A 62 12.511 -24.901 36.327 1.00 0.00 C ATOM 924 NE ARG A 62 13.698 -25.739 36.471 1.00 0.00 N ATOM 925 CZ ARG A 62 13.848 -26.641 37.435 1.00 0.00 C ATOM 926 NH1 ARG A 62 12.890 -26.821 38.334 1.00 0.00 N ATOM 927 NH2 ARG A 62 14.957 -27.367 37.500 1.00 0.00 N ATOM 0 H ARG A 62 13.292 -22.559 32.803 1.00 0.00 H new ATOM 0 HA ARG A 62 12.726 -21.212 35.281 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.618 -23.499 34.606 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.141 -23.016 36.221 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.687 -23.402 35.028 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.663 -24.603 34.205 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.386 -24.293 37.223 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.628 -25.534 36.246 1.00 0.00 H new ATOM 0 HE ARG A 62 14.453 -25.626 35.795 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.035 -26.266 38.287 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.008 -27.514 39.073 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.696 -27.233 36.809 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.071 -28.059 38.241 1.00 0.00 H new ATOM 941 N ILE A 63 15.657 -20.874 33.836 1.00 0.00 N ATOM 942 CA ILE A 63 16.894 -20.102 33.853 1.00 0.00 C ATOM 943 C ILE A 63 16.654 -18.670 33.387 1.00 0.00 C ATOM 944 O ILE A 63 17.381 -17.753 33.767 1.00 0.00 O ATOM 945 CB ILE A 63 17.972 -20.747 32.962 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.532 -20.728 31.496 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.254 -22.171 33.417 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.581 -21.255 30.543 1.00 0.00 C ATOM 0 H ILE A 63 15.540 -21.466 33.014 1.00 0.00 H new ATOM 0 HA ILE A 63 17.246 -20.091 34.885 1.00 0.00 H new ATOM 0 HB ILE A 63 18.891 -20.168 33.054 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.625 -21.323 31.390 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.278 -19.706 31.215 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.018 -22.613 32.777 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.606 -22.160 34.448 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.340 -22.762 33.352 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.200 -21.212 29.523 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.482 -20.646 30.620 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.818 -22.288 30.798 1.00 0.00 H new ATOM 960 N GLY A 64 15.628 -18.486 32.561 1.00 0.00 N ATOM 961 CA GLY A 64 15.309 -17.163 32.058 1.00 0.00 C ATOM 962 C GLY A 64 14.777 -17.195 30.639 1.00 0.00 C ATOM 963 O GLY A 64 13.886 -16.421 30.286 1.00 0.00 O ATOM 0 H GLY A 64 15.012 -19.230 32.232 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.569 -16.699 32.710 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.202 -16.539 32.094 1.00 0.00 H new ATOM 967 N ILE A 65 15.324 -18.090 29.824 1.00 0.00 N ATOM 968 CA ILE A 65 14.899 -18.218 28.436 1.00 0.00 C ATOM 969 C ILE A 65 13.387 -18.391 28.338 1.00 0.00 C ATOM 970 O ILE A 65 12.857 -19.476 28.583 1.00 0.00 O ATOM 971 CB ILE A 65 15.586 -19.410 27.744 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.107 -19.250 27.795 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.109 -19.535 26.305 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.860 -20.531 27.512 1.00 0.00 C ATOM 0 H ILE A 65 16.062 -18.737 30.101 1.00 0.00 H new ATOM 0 HA ILE A 65 15.191 -17.297 27.931 1.00 0.00 H new ATOM 0 HB ILE A 65 15.317 -20.323 28.275 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.409 -18.493 27.071 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.392 -18.881 28.780 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.604 -20.382 25.830 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.030 -19.691 26.291 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.351 -18.622 25.761 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.932 -20.342 27.565 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.587 -21.284 28.251 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.604 -20.891 26.516 1.00 0.00 H new ATOM 986 N THR A 66 12.695 -17.315 27.976 1.00 0.00 N ATOM 987 CA THR A 66 11.244 -17.347 27.845 1.00 0.00 C ATOM 988 C THR A 66 10.809 -16.921 26.447 1.00 0.00 C ATOM 989 O THR A 66 9.764 -16.293 26.275 1.00 0.00 O ATOM 990 CB THR A 66 10.566 -16.431 28.882 1.00 0.00 C ATOM 991 OG1 THR A 66 11.082 -15.100 28.772 1.00 0.00 O ATOM 992 CG2 THR A 66 10.791 -16.953 30.293 1.00 0.00 C ATOM 0 H THR A 66 13.117 -16.410 27.768 1.00 0.00 H new ATOM 0 HA THR A 66 10.933 -18.377 28.022 1.00 0.00 H new ATOM 0 HB THR A 66 9.495 -16.422 28.681 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.645 -14.524 29.433 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.303 -16.290 31.008 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.371 -17.955 30.382 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.860 -16.988 30.502 1.00 0.00 H new ATOM 1000 N LEU A 67 11.616 -17.268 25.450 1.00 0.00 N ATOM 1001 CA LEU A 67 11.314 -16.922 24.066 1.00 0.00 C ATOM 1002 C LEU A 67 10.989 -18.171 23.252 1.00 0.00 C ATOM 1003 O LEU A 67 11.881 -18.938 22.890 1.00 0.00 O ATOM 1004 CB LEU A 67 12.494 -16.181 23.435 1.00 0.00 C ATOM 1005 CG LEU A 67 12.449 -14.655 23.516 1.00 0.00 C ATOM 1006 CD1 LEU A 67 13.700 -14.119 24.195 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.295 -14.052 22.127 1.00 0.00 C ATOM 0 H LEU A 67 12.484 -17.789 25.575 1.00 0.00 H new ATOM 0 HA LEU A 67 10.440 -16.270 24.062 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.411 -16.523 23.915 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.558 -16.467 22.385 1.00 0.00 H new ATOM 0 HG LEU A 67 11.584 -14.368 24.114 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.650 -13.031 24.243 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.768 -14.524 25.204 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.580 -14.417 23.624 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.265 -12.965 22.204 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.140 -14.349 21.506 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.370 -14.410 21.676 1.00 0.00 H new ATOM 1019 N ALA A 68 9.706 -18.366 22.965 1.00 0.00 N ATOM 1020 CA ALA A 68 9.263 -19.519 22.190 1.00 0.00 C ATOM 1021 C ALA A 68 10.022 -19.617 20.871 1.00 0.00 C ATOM 1022 O ALA A 68 10.343 -20.711 20.408 1.00 0.00 O ATOM 1023 CB ALA A 68 7.765 -19.440 21.936 1.00 0.00 C ATOM 0 H ALA A 68 8.955 -17.741 23.257 1.00 0.00 H new ATOM 0 HA ALA A 68 9.475 -20.418 22.768 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.448 -20.307 21.356 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.235 -19.426 22.888 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.538 -18.530 21.381 1.00 0.00 H new ATOM 1029 N GLY A 69 10.304 -18.466 20.269 1.00 0.00 N ATOM 1030 CA GLY A 69 11.022 -18.445 19.007 1.00 0.00 C ATOM 1031 C GLY A 69 12.488 -18.794 19.169 1.00 0.00 C ATOM 1032 O GLY A 69 13.152 -19.176 18.205 1.00 0.00 O ATOM 0 H GLY A 69 10.048 -17.548 20.632 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.558 -19.149 18.317 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.935 -17.455 18.559 1.00 0.00 H new ATOM 1036 N HIS A 70 12.996 -18.661 20.390 1.00 0.00 N ATOM 1037 CA HIS A 70 14.394 -18.964 20.674 1.00 0.00 C ATOM 1038 C HIS A 70 14.556 -20.417 21.113 1.00 0.00 C ATOM 1039 O HIS A 70 15.448 -21.121 20.639 1.00 0.00 O ATOM 1040 CB HIS A 70 14.931 -18.029 21.757 1.00 0.00 C ATOM 1041 CG HIS A 70 15.234 -16.649 21.261 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.852 -15.689 22.034 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.002 -16.069 20.059 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.986 -14.579 21.331 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.479 -14.783 20.129 1.00 0.00 N ATOM 0 H HIS A 70 12.460 -18.345 21.199 1.00 0.00 H new ATOM 0 HA HIS A 70 14.966 -18.813 19.759 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.201 -17.964 22.564 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.837 -18.461 22.181 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.530 -16.532 19.205 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.434 -13.660 21.680 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.447 -14.097 19.375 1.00 0.00 H new ATOM 1053 N GLN A 71 13.690 -20.856 22.020 1.00 0.00 N ATOM 1054 CA GLN A 71 13.739 -22.224 22.523 1.00 0.00 C ATOM 1055 C GLN A 71 13.700 -23.228 21.375 1.00 0.00 C ATOM 1056 O GLN A 71 14.305 -24.298 21.451 1.00 0.00 O ATOM 1057 CB GLN A 71 12.574 -22.480 23.480 1.00 0.00 C ATOM 1058 CG GLN A 71 12.533 -21.521 24.659 1.00 0.00 C ATOM 1059 CD GLN A 71 11.136 -21.345 25.220 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.163 -21.857 24.666 1.00 0.00 O ATOM 1061 NE2 GLN A 71 11.029 -20.617 26.325 1.00 0.00 N ATOM 0 H GLN A 71 12.946 -20.285 22.422 1.00 0.00 H new ATOM 0 HA GLN A 71 14.678 -22.353 23.062 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.637 -22.404 22.928 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.641 -23.501 23.855 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.192 -21.889 25.445 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.920 -20.551 24.347 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.862 -20.211 26.751 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.114 -20.464 26.748 1.00 0.00 H new ATOM 1070 N LYS A 72 12.985 -22.876 20.312 1.00 0.00 N ATOM 1071 CA LYS A 72 12.866 -23.745 19.147 1.00 0.00 C ATOM 1072 C LYS A 72 14.242 -24.093 18.587 1.00 0.00 C ATOM 1073 O LYS A 72 14.431 -25.155 17.992 1.00 0.00 O ATOM 1074 CB LYS A 72 12.019 -23.071 18.066 1.00 0.00 C ATOM 1075 CG LYS A 72 11.105 -24.029 17.324 1.00 0.00 C ATOM 1076 CD LYS A 72 9.797 -23.362 16.932 1.00 0.00 C ATOM 1077 CE LYS A 72 8.708 -23.622 17.962 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.826 -24.754 17.564 1.00 0.00 N ATOM 0 H LYS A 72 12.479 -21.994 20.233 1.00 0.00 H new ATOM 0 HA LYS A 72 12.376 -24.667 19.460 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.415 -22.288 18.525 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.680 -22.584 17.349 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.610 -24.396 16.430 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.898 -24.896 17.952 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.952 -22.288 16.828 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.475 -23.733 15.959 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.166 -23.840 18.927 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.107 -22.722 18.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.097 -24.899 18.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.369 -24.535 16.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.395 -25.619 17.466 1.00 0.00 H new ATOM 1092 N LYS A 73 15.200 -23.194 18.781 1.00 0.00 N ATOM 1093 CA LYS A 73 16.559 -23.406 18.298 1.00 0.00 C ATOM 1094 C LYS A 73 17.369 -24.230 19.295 1.00 0.00 C ATOM 1095 O LYS A 73 18.122 -25.123 18.908 1.00 0.00 O ATOM 1096 CB LYS A 73 17.250 -22.064 18.049 1.00 0.00 C ATOM 1097 CG LYS A 73 18.605 -22.192 17.376 1.00 0.00 C ATOM 1098 CD LYS A 73 18.827 -21.089 16.355 1.00 0.00 C ATOM 1099 CE LYS A 73 19.936 -21.448 15.378 1.00 0.00 C ATOM 1100 NZ LYS A 73 20.354 -20.277 14.558 1.00 0.00 N ATOM 0 H LYS A 73 15.060 -22.310 19.270 1.00 0.00 H new ATOM 0 HA LYS A 73 16.502 -23.957 17.359 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.604 -21.442 17.430 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.374 -21.547 19.000 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.392 -22.155 18.130 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.679 -23.163 16.886 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.902 -20.908 15.807 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.080 -20.162 16.869 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.795 -21.831 15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.596 -22.249 14.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 21.111 -20.563 13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.541 -19.927 14.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.703 -19.522 15.183 1.00 0.00 H new ATOM 1114 N ILE A 74 17.206 -23.924 20.577 1.00 0.00 N ATOM 1115 CA ILE A 74 17.920 -24.638 21.629 1.00 0.00 C ATOM 1116 C ILE A 74 17.521 -26.109 21.663 1.00 0.00 C ATOM 1117 O ILE A 74 18.355 -26.995 21.466 1.00 0.00 O ATOM 1118 CB ILE A 74 17.657 -24.014 23.012 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.081 -22.543 23.021 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.395 -24.790 24.092 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.466 -21.745 24.149 1.00 0.00 C ATOM 0 H ILE A 74 16.586 -23.187 20.913 1.00 0.00 H new ATOM 0 HA ILE A 74 18.983 -24.557 21.400 1.00 0.00 H new ATOM 0 HB ILE A 74 16.588 -24.066 23.221 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.167 -22.487 23.097 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.803 -22.087 22.071 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.199 -24.337 25.064 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.050 -25.824 24.098 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.466 -24.766 23.890 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.810 -20.712 24.094 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.380 -21.771 24.063 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.764 -22.176 25.105 1.00 0.00 H new ATOM 1133 N LEU A 75 16.242 -26.363 21.912 1.00 0.00 N ATOM 1134 CA LEU A 75 15.730 -27.728 21.970 1.00 0.00 C ATOM 1135 C LEU A 75 16.107 -28.505 20.713 1.00 0.00 C ATOM 1136 O LEU A 75 16.519 -29.662 20.787 1.00 0.00 O ATOM 1137 CB LEU A 75 14.210 -27.717 22.139 1.00 0.00 C ATOM 1138 CG LEU A 75 13.673 -26.926 23.332 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.256 -26.445 23.060 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.718 -27.771 24.597 1.00 0.00 C ATOM 0 H LEU A 75 15.540 -25.642 22.077 1.00 0.00 H new ATOM 0 HA LEU A 75 16.182 -28.223 22.830 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.766 -27.311 21.230 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.867 -28.748 22.228 1.00 0.00 H new ATOM 0 HG LEU A 75 14.309 -26.053 23.480 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.891 -25.884 23.920 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.253 -25.802 22.180 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.608 -27.304 22.885 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.332 -27.191 25.436 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.107 -28.663 24.461 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.748 -28.064 24.802 1.00 0.00 H new ATOM 1152 N ASN A 76 15.966 -27.860 19.560 1.00 0.00 N ATOM 1153 CA ASN A 76 16.294 -28.490 18.286 1.00 0.00 C ATOM 1154 C ASN A 76 17.730 -29.007 18.289 1.00 0.00 C ATOM 1155 O ASN A 76 18.062 -29.950 17.570 1.00 0.00 O ATOM 1156 CB ASN A 76 16.100 -27.498 17.138 1.00 0.00 C ATOM 1157 CG ASN A 76 14.719 -27.592 16.519 1.00 0.00 C ATOM 1158 OD1 ASN A 76 13.891 -28.398 16.943 1.00 0.00 O ATOM 1159 ND2 ASN A 76 14.464 -26.766 15.511 1.00 0.00 N ATOM 0 H ASN A 76 15.627 -26.901 19.481 1.00 0.00 H new ATOM 0 HA ASN A 76 15.622 -29.336 18.144 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.262 -26.485 17.506 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.852 -27.683 16.371 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.552 -26.784 15.056 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.181 -26.114 15.192 1.00 0.00 H new ATOM 1166 N SER A 77 18.576 -28.385 19.103 1.00 0.00 N ATOM 1167 CA SER A 77 19.976 -28.780 19.197 1.00 0.00 C ATOM 1168 C SER A 77 20.177 -29.808 20.306 1.00 0.00 C ATOM 1169 O SER A 77 20.949 -30.756 20.156 1.00 0.00 O ATOM 1170 CB SER A 77 20.857 -27.556 19.456 1.00 0.00 C ATOM 1171 OG SER A 77 22.229 -27.871 19.291 1.00 0.00 O ATOM 0 H SER A 77 18.316 -27.605 19.707 1.00 0.00 H new ATOM 0 HA SER A 77 20.264 -29.233 18.248 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.580 -26.754 18.772 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.684 -27.187 20.467 1.00 0.00 H new ATOM 0 HG SER A 77 22.622 -27.278 18.617 1.00 0.00 H new ATOM 1177 N ILE A 78 19.477 -29.614 21.419 1.00 0.00 N ATOM 1178 CA ILE A 78 19.577 -30.524 22.553 1.00 0.00 C ATOM 1179 C ILE A 78 19.158 -31.937 22.162 1.00 0.00 C ATOM 1180 O ILE A 78 19.845 -32.910 22.477 1.00 0.00 O ATOM 1181 CB ILE A 78 18.708 -30.051 23.733 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.127 -28.646 24.172 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.814 -31.028 24.894 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.102 -27.954 25.043 1.00 0.00 C ATOM 0 H ILE A 78 18.834 -28.834 21.559 1.00 0.00 H new ATOM 0 HA ILE A 78 20.622 -30.530 22.862 1.00 0.00 H new ATOM 0 HB ILE A 78 17.668 -30.015 23.408 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.070 -28.710 24.715 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.310 -28.037 23.287 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.194 -30.680 25.720 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.472 -32.012 24.574 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.852 -31.093 25.221 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.466 -26.963 25.316 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.165 -27.858 24.495 1.00 0.00 H new ATOM 0 HD13 ILE A 78 17.936 -28.541 25.946 1.00 0.00 H new ATOM 1196 N HIS A 79 18.026 -32.044 21.472 1.00 0.00 N ATOM 1197 CA HIS A 79 17.516 -33.338 21.036 1.00 0.00 C ATOM 1198 C HIS A 79 18.546 -34.066 20.177 1.00 0.00 C ATOM 1199 O HIS A 79 18.678 -35.288 20.251 1.00 0.00 O ATOM 1200 CB HIS A 79 16.215 -33.160 20.252 1.00 0.00 C ATOM 1201 CG HIS A 79 15.242 -34.282 20.444 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.890 -34.155 20.201 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.431 -35.557 20.855 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.290 -35.304 20.457 1.00 0.00 C ATOM 1205 NE2 HIS A 79 14.203 -36.172 20.855 1.00 0.00 N ATOM 0 H HIS A 79 17.445 -31.250 21.203 1.00 0.00 H new ATOM 0 HA HIS A 79 17.317 -33.940 21.923 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.743 -32.225 20.554 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.449 -33.070 19.191 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.373 -36.008 21.132 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.233 -35.500 20.358 1.00 0.00 H new ATOM 0 HE2 HIS A 79 14.025 -37.141 21.119 1.00 0.00 H new ATOM 1213 N SER A 80 19.271 -33.308 19.361 1.00 0.00 N ATOM 1214 CA SER A 80 20.286 -33.881 18.485 1.00 0.00 C ATOM 1215 C SER A 80 21.579 -34.144 19.250 1.00 0.00 C ATOM 1216 O SER A 80 22.354 -35.031 18.893 1.00 0.00 O ATOM 1217 CB SER A 80 20.559 -32.946 17.305 1.00 0.00 C ATOM 1218 OG SER A 80 19.641 -33.175 16.249 1.00 0.00 O ATOM 0 H SER A 80 19.174 -32.295 19.288 1.00 0.00 H new ATOM 0 HA SER A 80 19.909 -34.831 18.107 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.488 -31.909 17.634 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.577 -33.097 16.945 1.00 0.00 H new ATOM 0 HG SER A 80 19.836 -32.564 15.508 1.00 0.00 H new ATOM 1224 N MET A 81 21.805 -33.366 20.303 1.00 0.00 N ATOM 1225 CA MET A 81 23.004 -33.515 21.119 1.00 0.00 C ATOM 1226 C MET A 81 22.976 -34.830 21.891 1.00 0.00 C ATOM 1227 O MET A 81 23.894 -35.643 21.783 1.00 0.00 O ATOM 1228 CB MET A 81 23.133 -32.341 22.093 1.00 0.00 C ATOM 1229 CG MET A 81 24.277 -31.398 21.759 1.00 0.00 C ATOM 1230 SD MET A 81 24.884 -30.504 23.203 1.00 0.00 S ATOM 1231 CE MET A 81 23.634 -29.232 23.364 1.00 0.00 C ATOM 0 H MET A 81 21.174 -32.626 20.611 1.00 0.00 H new ATOM 0 HA MET A 81 23.867 -33.523 20.454 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.199 -31.779 22.098 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.276 -32.730 23.101 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.095 -31.967 21.319 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.945 -30.683 21.007 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.003 -28.440 24.016 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.408 -28.817 22.382 1.00 0.00 H new ATOM 0 HE3 MET A 81 22.729 -29.663 23.793 1.00 0.00 H new ATOM 1241 N ARG A 82 21.918 -35.032 22.670 1.00 0.00 N ATOM 1242 CA ARG A 82 21.773 -36.248 23.460 1.00 0.00 C ATOM 1243 C ARG A 82 21.943 -37.488 22.587 1.00 0.00 C ATOM 1244 O ARG A 82 22.596 -38.454 22.983 1.00 0.00 O ATOM 1245 CB ARG A 82 20.404 -36.277 24.144 1.00 0.00 C ATOM 1246 CG ARG A 82 19.239 -36.130 23.179 1.00 0.00 C ATOM 1247 CD ARG A 82 18.002 -35.589 23.878 1.00 0.00 C ATOM 1248 NE ARG A 82 17.561 -36.461 24.964 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.636 -36.117 25.853 1.00 0.00 C ATOM 1250 NH1 ARG A 82 16.057 -34.926 25.786 1.00 0.00 N ATOM 1251 NH2 ARG A 82 16.288 -36.966 26.812 1.00 0.00 N ATOM 0 H ARG A 82 21.149 -34.369 22.771 1.00 0.00 H new ATOM 0 HA ARG A 82 22.553 -36.251 24.221 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.298 -37.216 24.688 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.358 -35.475 24.881 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.521 -35.461 22.366 1.00 0.00 H new ATOM 0 HG3 ARG A 82 19.012 -37.097 22.731 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.215 -34.596 24.274 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.196 -35.477 23.153 1.00 0.00 H new ATOM 0 HE ARG A 82 17.987 -37.384 25.044 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.322 -34.271 25.050 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.347 -34.665 26.470 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.731 -37.883 26.867 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.578 -36.701 27.494 1.00 0.00 H new