USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 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 -177:sc= -2.52 (180deg=-1.78) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.113 X(o=-2.9,f=-2.7) USER MOD Set 1.3: A 37 TYR OH : rot -174:sc= 1.23 USER MOD Set 1.4: A 70 HIS : no HD1:sc= -1.46 K(o=-2.9,f=-11!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.127 USER MOD Set 2.2: A 57 SER OG : rot 74:sc= 0.162 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -42:sc= 0.00375 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 50 GLN :FLIP amide:sc= -0.413 F(o=-1,f=-0.41) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.00721 K(o=-0.0072,f=-1.4!) USER MOD Single : A 55 MET CE :methyl -131:sc= -0.358 (180deg=-2.33!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.6) 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= -1.05 K(o=-1.1,f=-2.3) USER MOD Single : A 77 SER OG : rot 130:sc= 0.552 USER MOD Single : A 79 HIS : no HD1:sc= -0.085 X(o=-0.085,f=-0.01) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -118:sc= -2.94! (180deg=-6.65!) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 29.021 -24.782 27.372 1.00 0.00 N ATOM 331 CA VAL A 25 27.775 -24.157 26.946 1.00 0.00 C ATOM 332 C VAL A 25 28.038 -22.830 26.243 1.00 0.00 C ATOM 333 O VAL A 25 27.280 -22.421 25.363 1.00 0.00 O ATOM 334 CB VAL A 25 26.832 -23.915 28.139 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.555 -23.228 27.679 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.518 -25.226 28.843 1.00 0.00 C ATOM 0 HA VAL A 25 27.298 -24.846 26.249 1.00 0.00 H new ATOM 0 HB VAL A 25 27.334 -23.258 28.850 1.00 0.00 H new ATOM 0 HG11 VAL A 25 24.901 -23.065 28.535 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.802 -22.269 27.223 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.046 -23.857 26.948 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.850 -25.037 29.684 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.036 -25.908 28.143 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.443 -25.674 29.208 1.00 0.00 H new ATOM 346 N ASP A 26 29.117 -22.162 26.636 1.00 0.00 N ATOM 347 CA ASP A 26 29.482 -20.881 26.043 1.00 0.00 C ATOM 348 C ASP A 26 29.785 -21.038 24.556 1.00 0.00 C ATOM 349 O ASP A 26 29.477 -20.157 23.753 1.00 0.00 O ATOM 350 CB ASP A 26 30.694 -20.288 26.763 1.00 0.00 C ATOM 351 CG ASP A 26 30.555 -20.344 28.272 1.00 0.00 C ATOM 352 OD1 ASP A 26 29.408 -20.400 28.760 1.00 0.00 O ATOM 353 OD2 ASP A 26 31.595 -20.332 28.964 1.00 0.00 O ATOM 0 H ASP A 26 29.754 -22.487 27.363 1.00 0.00 H new ATOM 0 HA ASP A 26 28.636 -20.203 26.154 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.592 -20.829 26.463 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.827 -19.252 26.451 1.00 0.00 H new ATOM 358 N ASP A 27 30.392 -22.164 24.196 1.00 0.00 N ATOM 359 CA ASP A 27 30.737 -22.436 22.806 1.00 0.00 C ATOM 360 C ASP A 27 29.507 -22.873 22.016 1.00 0.00 C ATOM 361 O ASP A 27 29.230 -22.346 20.939 1.00 0.00 O ATOM 362 CB ASP A 27 31.818 -23.515 22.728 1.00 0.00 C ATOM 363 CG ASP A 27 32.731 -23.335 21.531 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.565 -22.407 21.556 1.00 0.00 O ATOM 365 OD2 ASP A 27 32.611 -24.123 20.569 1.00 0.00 O ATOM 0 H ASP A 27 30.655 -22.903 24.848 1.00 0.00 H new ATOM 0 HA ASP A 27 31.121 -21.516 22.366 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.413 -23.496 23.641 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.345 -24.496 22.676 1.00 0.00 H new ATOM 370 N TRP A 28 28.774 -23.838 22.559 1.00 0.00 N ATOM 371 CA TRP A 28 27.574 -24.347 21.904 1.00 0.00 C ATOM 372 C TRP A 28 26.623 -23.209 21.553 1.00 0.00 C ATOM 373 O TRP A 28 26.246 -23.037 20.393 1.00 0.00 O ATOM 374 CB TRP A 28 26.867 -25.359 22.806 1.00 0.00 C ATOM 375 CG TRP A 28 25.455 -25.642 22.389 1.00 0.00 C ATOM 376 CD1 TRP A 28 25.024 -25.996 21.142 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.290 -25.591 23.219 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.661 -26.169 21.148 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.187 -25.928 22.410 1.00 0.00 C ATOM 380 CE3 TRP A 28 24.071 -25.297 24.568 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.887 -25.976 22.906 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.780 -25.345 25.059 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.702 -25.683 24.230 1.00 0.00 C ATOM 0 H TRP A 28 28.989 -24.284 23.451 1.00 0.00 H new ATOM 0 HA TRP A 28 27.875 -24.842 20.981 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.432 -26.291 22.807 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.868 -24.985 23.830 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.661 -26.121 20.279 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.094 -26.434 20.343 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.896 -25.037 25.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.054 -26.235 22.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.599 -25.118 26.099 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.705 -25.713 24.644 1.00 0.00 H new ATOM 394 N LEU A 29 26.237 -22.433 22.560 1.00 0.00 N ATOM 395 CA LEU A 29 25.329 -21.310 22.356 1.00 0.00 C ATOM 396 C LEU A 29 25.875 -20.351 21.303 1.00 0.00 C ATOM 397 O LEU A 29 25.119 -19.780 20.517 1.00 0.00 O ATOM 398 CB LEU A 29 25.105 -20.564 23.673 1.00 0.00 C ATOM 399 CG LEU A 29 24.357 -21.334 24.762 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.121 -20.449 25.976 1.00 0.00 C ATOM 401 CD2 LEU A 29 23.037 -21.869 24.225 1.00 0.00 C ATOM 0 H LEU A 29 26.539 -22.561 23.526 1.00 0.00 H new ATOM 0 HA LEU A 29 24.377 -21.705 22.002 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.076 -20.266 24.068 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.554 -19.648 23.459 1.00 0.00 H new ATOM 0 HG LEU A 29 24.972 -22.180 25.069 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.588 -21.014 26.740 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.079 -20.115 26.374 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.527 -19.583 25.685 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.518 -22.414 25.013 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.417 -21.038 23.890 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.230 -22.539 23.387 1.00 0.00 H new ATOM 413 N SER A 30 27.194 -20.182 21.291 1.00 0.00 N ATOM 414 CA SER A 30 27.841 -19.292 20.335 1.00 0.00 C ATOM 415 C SER A 30 27.773 -19.868 18.924 1.00 0.00 C ATOM 416 O SER A 30 27.952 -19.151 17.940 1.00 0.00 O ATOM 417 CB SER A 30 29.300 -19.057 20.732 1.00 0.00 C ATOM 418 OG SER A 30 29.821 -17.900 20.101 1.00 0.00 O ATOM 0 H SER A 30 27.834 -20.650 21.932 1.00 0.00 H new ATOM 0 HA SER A 30 27.310 -18.340 20.346 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.373 -18.949 21.814 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.899 -19.925 20.458 1.00 0.00 H new ATOM 0 HG SER A 30 29.520 -17.872 19.169 1.00 0.00 H new ATOM 424 N ALA A 31 27.512 -21.168 18.834 1.00 0.00 N ATOM 425 CA ALA A 31 27.417 -21.841 17.545 1.00 0.00 C ATOM 426 C ALA A 31 25.991 -21.797 17.006 1.00 0.00 C ATOM 427 O ALA A 31 25.733 -22.204 15.873 1.00 0.00 O ATOM 428 CB ALA A 31 27.894 -23.281 17.665 1.00 0.00 C ATOM 0 H ALA A 31 27.363 -21.776 19.639 1.00 0.00 H new ATOM 0 HA ALA A 31 28.060 -21.314 16.840 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.817 -23.772 16.695 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.932 -23.294 17.997 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.275 -23.810 18.389 1.00 0.00 H new ATOM 434 N ILE A 32 25.069 -21.302 17.825 1.00 0.00 N ATOM 435 CA ILE A 32 23.669 -21.206 17.430 1.00 0.00 C ATOM 436 C ILE A 32 23.163 -19.772 17.547 1.00 0.00 C ATOM 437 O ILE A 32 21.962 -19.516 17.453 1.00 0.00 O ATOM 438 CB ILE A 32 22.778 -22.124 18.286 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.108 -21.953 19.771 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.952 -23.575 17.864 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.267 -22.820 20.681 1.00 0.00 C ATOM 0 H ILE A 32 25.266 -20.961 18.766 1.00 0.00 H new ATOM 0 HA ILE A 32 23.612 -21.526 16.390 1.00 0.00 H new ATOM 0 HB ILE A 32 21.737 -21.842 18.130 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.161 -22.187 19.930 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.969 -20.908 20.048 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.315 -24.212 18.479 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.672 -23.685 16.816 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.993 -23.869 17.994 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.556 -22.646 21.718 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.214 -22.570 20.551 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.424 -23.869 20.431 1.00 0.00 H new ATOM 453 N LYS A 33 24.087 -18.839 17.750 1.00 0.00 N ATOM 454 CA LYS A 33 23.736 -17.429 17.876 1.00 0.00 C ATOM 455 C LYS A 33 22.944 -17.178 19.155 1.00 0.00 C ATOM 456 O LYS A 33 22.361 -16.109 19.335 1.00 0.00 O ATOM 457 CB LYS A 33 22.923 -16.974 16.662 1.00 0.00 C ATOM 458 CG LYS A 33 23.471 -17.480 15.339 1.00 0.00 C ATOM 459 CD LYS A 33 23.608 -16.356 14.326 1.00 0.00 C ATOM 460 CE LYS A 33 22.361 -16.226 13.465 1.00 0.00 C ATOM 461 NZ LYS A 33 22.597 -15.368 12.271 1.00 0.00 N ATOM 0 H LYS A 33 25.085 -19.034 17.831 1.00 0.00 H new ATOM 0 HA LYS A 33 24.660 -16.853 17.923 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.895 -17.317 16.775 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.895 -15.885 16.641 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.443 -17.946 15.501 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.811 -18.251 14.942 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.791 -15.416 14.847 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.473 -16.542 13.689 1.00 0.00 H new ATOM 0 HE2 LYS A 33 22.038 -17.216 13.143 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.551 -15.805 14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.723 -15.305 11.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.881 -14.416 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.352 -15.783 11.689 1.00 0.00 H new ATOM 475 N MET A 34 22.927 -18.169 20.040 1.00 0.00 N ATOM 476 CA MET A 34 22.208 -18.054 21.303 1.00 0.00 C ATOM 477 C MET A 34 23.176 -17.833 22.462 1.00 0.00 C ATOM 478 O MET A 34 22.854 -18.116 23.615 1.00 0.00 O ATOM 479 CB MET A 34 21.371 -19.309 21.555 1.00 0.00 C ATOM 480 CG MET A 34 20.547 -19.742 20.353 1.00 0.00 C ATOM 481 SD MET A 34 19.451 -18.440 19.758 1.00 0.00 S ATOM 482 CE MET A 34 18.513 -18.083 21.242 1.00 0.00 C ATOM 0 H MET A 34 23.403 -19.061 19.906 1.00 0.00 H new ATOM 0 HA MET A 34 21.545 -17.191 21.237 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.033 -20.125 21.844 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.703 -19.127 22.397 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.217 -20.044 19.548 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.954 -20.617 20.620 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.754 -17.332 21.021 1.00 0.00 H new ATOM 0 HE2 MET A 34 18.030 -18.994 21.595 1.00 0.00 H new ATOM 0 HE3 MET A 34 19.183 -17.705 22.014 1.00 0.00 H new ATOM 492 N VAL A 35 24.364 -17.326 22.146 1.00 0.00 N ATOM 493 CA VAL A 35 25.378 -17.066 23.161 1.00 0.00 C ATOM 494 C VAL A 35 24.859 -16.104 24.223 1.00 0.00 C ATOM 495 O VAL A 35 25.375 -16.061 25.340 1.00 0.00 O ATOM 496 CB VAL A 35 26.659 -16.482 22.537 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.586 -14.963 22.489 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.886 -16.940 23.311 1.00 0.00 C ATOM 0 H VAL A 35 24.647 -17.087 21.196 1.00 0.00 H new ATOM 0 HA VAL A 35 25.613 -18.023 23.626 1.00 0.00 H new ATOM 0 HB VAL A 35 26.744 -16.850 21.515 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.500 -14.569 22.045 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.730 -14.659 21.887 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.476 -14.572 23.500 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.782 -16.518 22.856 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.811 -16.603 24.345 1.00 0.00 H new ATOM 0 HG23 VAL A 35 27.946 -18.028 23.288 1.00 0.00 H new ATOM 508 N GLN A 36 23.835 -15.335 23.868 1.00 0.00 N ATOM 509 CA GLN A 36 23.246 -14.373 24.792 1.00 0.00 C ATOM 510 C GLN A 36 22.808 -15.056 26.083 1.00 0.00 C ATOM 511 O GLN A 36 22.732 -14.424 27.137 1.00 0.00 O ATOM 512 CB GLN A 36 22.053 -13.673 24.140 1.00 0.00 C ATOM 513 CG GLN A 36 20.850 -14.581 23.941 1.00 0.00 C ATOM 514 CD GLN A 36 19.742 -13.916 23.147 1.00 0.00 C ATOM 515 OE1 GLN A 36 19.366 -12.776 23.419 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.213 -14.628 22.159 1.00 0.00 N ATOM 0 H GLN A 36 23.396 -15.359 22.948 1.00 0.00 H new ATOM 0 HA GLN A 36 24.005 -13.630 25.036 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.759 -12.824 24.757 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.360 -13.274 23.173 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.166 -15.489 23.427 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.463 -14.884 24.914 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.556 -15.570 21.969 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.464 -14.233 21.590 1.00 0.00 H new ATOM 525 N TYR A 37 22.520 -16.350 25.993 1.00 0.00 N ATOM 526 CA TYR A 37 22.087 -17.119 27.154 1.00 0.00 C ATOM 527 C TYR A 37 23.237 -17.945 27.721 1.00 0.00 C ATOM 528 O TYR A 37 23.022 -18.993 28.330 1.00 0.00 O ATOM 529 CB TYR A 37 20.922 -18.036 26.778 1.00 0.00 C ATOM 530 CG TYR A 37 19.707 -17.295 26.269 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.040 -16.379 27.075 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.224 -17.509 24.984 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.928 -15.700 26.615 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.114 -16.833 24.516 1.00 0.00 C ATOM 535 CZ TYR A 37 17.470 -15.930 25.335 1.00 0.00 C ATOM 536 OH TYR A 37 16.363 -15.255 24.872 1.00 0.00 O ATOM 0 H TYR A 37 22.579 -16.888 25.128 1.00 0.00 H new ATOM 0 HA TYR A 37 21.756 -16.417 27.920 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.255 -18.738 26.014 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.639 -18.625 27.650 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.397 -16.195 28.078 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.725 -18.216 24.340 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.420 -14.993 27.255 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.753 -17.011 23.514 1.00 0.00 H new ATOM 0 HH TYR A 37 16.111 -15.605 23.992 1.00 0.00 H new ATOM 546 N ARG A 38 24.459 -17.464 27.517 1.00 0.00 N ATOM 547 CA ARG A 38 25.644 -18.157 28.007 1.00 0.00 C ATOM 548 C ARG A 38 25.762 -18.028 29.523 1.00 0.00 C ATOM 549 O ARG A 38 26.330 -18.894 30.188 1.00 0.00 O ATOM 550 CB ARG A 38 26.901 -17.597 27.339 1.00 0.00 C ATOM 551 CG ARG A 38 27.215 -16.164 27.735 1.00 0.00 C ATOM 552 CD ARG A 38 28.618 -15.762 27.306 1.00 0.00 C ATOM 553 NE ARG A 38 28.643 -15.229 25.947 1.00 0.00 N ATOM 554 CZ ARG A 38 29.724 -14.699 25.385 1.00 0.00 C ATOM 555 NH1 ARG A 38 30.862 -14.632 26.062 1.00 0.00 N ATOM 556 NH2 ARG A 38 29.668 -14.236 24.143 1.00 0.00 N ATOM 0 H ARG A 38 24.654 -16.597 27.016 1.00 0.00 H new ATOM 0 HA ARG A 38 25.546 -19.213 27.755 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.751 -18.230 27.595 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.780 -17.648 26.257 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.488 -15.492 27.280 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.118 -16.054 28.815 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.008 -15.014 27.996 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.278 -16.627 27.368 1.00 0.00 H new ATOM 0 HE ARG A 38 27.783 -15.266 25.399 1.00 0.00 H new ATOM 0 HH11 ARG A 38 30.909 -14.988 27.017 1.00 0.00 H new ATOM 0 HH12 ARG A 38 31.690 -14.225 25.628 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.795 -14.287 23.619 1.00 0.00 H new ATOM 0 HH22 ARG A 38 30.498 -13.829 23.712 1.00 0.00 H new ATOM 570 N ASP A 39 25.221 -16.941 30.063 1.00 0.00 N ATOM 571 CA ASP A 39 25.264 -16.699 31.500 1.00 0.00 C ATOM 572 C ASP A 39 24.074 -17.352 32.198 1.00 0.00 C ATOM 573 O ASP A 39 24.150 -17.709 33.373 1.00 0.00 O ATOM 574 CB ASP A 39 25.276 -15.196 31.786 1.00 0.00 C ATOM 575 CG ASP A 39 26.679 -14.657 31.984 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.632 -15.277 31.468 1.00 0.00 O ATOM 577 OD2 ASP A 39 26.824 -13.614 32.657 1.00 0.00 O ATOM 0 H ASP A 39 24.748 -16.214 29.527 1.00 0.00 H new ATOM 0 HA ASP A 39 26.180 -17.143 31.890 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.800 -14.668 30.960 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.683 -14.994 32.678 1.00 0.00 H new ATOM 582 N SER A 40 22.976 -17.504 31.465 1.00 0.00 N ATOM 583 CA SER A 40 21.768 -18.109 32.014 1.00 0.00 C ATOM 584 C SER A 40 22.024 -19.556 32.424 1.00 0.00 C ATOM 585 O SER A 40 21.586 -19.999 33.486 1.00 0.00 O ATOM 586 CB SER A 40 20.632 -18.050 30.991 1.00 0.00 C ATOM 587 OG SER A 40 19.649 -17.104 31.374 1.00 0.00 O ATOM 0 H SER A 40 22.898 -17.217 30.489 1.00 0.00 H new ATOM 0 HA SER A 40 21.479 -17.544 32.900 1.00 0.00 H new ATOM 0 HB2 SER A 40 21.033 -17.786 30.012 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.175 -19.035 30.893 1.00 0.00 H new ATOM 0 HG SER A 40 18.935 -17.084 30.703 1.00 0.00 H new ATOM 593 N PHE A 41 22.737 -20.288 31.574 1.00 0.00 N ATOM 594 CA PHE A 41 23.051 -21.686 31.846 1.00 0.00 C ATOM 595 C PHE A 41 24.195 -21.801 32.849 1.00 0.00 C ATOM 596 O PHE A 41 24.167 -22.643 33.747 1.00 0.00 O ATOM 597 CB PHE A 41 23.419 -22.409 30.549 1.00 0.00 C ATOM 598 CG PHE A 41 22.242 -22.672 29.654 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.271 -23.591 30.017 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.107 -22.000 28.450 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.187 -23.835 29.195 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.025 -22.240 27.624 1.00 0.00 C ATOM 603 CZ PHE A 41 20.063 -23.158 27.997 1.00 0.00 C ATOM 0 H PHE A 41 23.108 -19.936 30.691 1.00 0.00 H new ATOM 0 HA PHE A 41 22.166 -22.155 32.276 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.152 -21.813 30.006 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.898 -23.357 30.794 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.362 -24.123 30.953 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.856 -21.280 28.153 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.437 -24.555 29.489 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.932 -21.710 26.688 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.216 -23.346 27.354 1.00 0.00 H new ATOM 613 N LEU A 42 25.202 -20.949 32.688 1.00 0.00 N ATOM 614 CA LEU A 42 26.358 -20.954 33.578 1.00 0.00 C ATOM 615 C LEU A 42 25.927 -20.777 35.031 1.00 0.00 C ATOM 616 O LEU A 42 26.159 -21.648 35.870 1.00 0.00 O ATOM 617 CB LEU A 42 27.335 -19.845 33.185 1.00 0.00 C ATOM 618 CG LEU A 42 28.295 -20.171 32.041 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.937 -18.901 31.505 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.360 -21.155 32.503 1.00 0.00 C ATOM 0 H LEU A 42 25.241 -20.246 31.950 1.00 0.00 H new ATOM 0 HA LEU A 42 26.856 -21.919 33.481 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.759 -18.962 32.909 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.924 -19.580 34.063 1.00 0.00 H new ATOM 0 HG LEU A 42 27.726 -20.634 31.235 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.617 -19.153 30.691 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.162 -18.229 31.136 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.493 -18.409 32.303 1.00 0.00 H new ATOM 0 HD21 LEU A 42 30.035 -21.376 31.676 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.926 -20.719 33.326 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.883 -22.076 32.838 1.00 0.00 H new ATOM 632 N THR A 43 25.297 -19.643 35.322 1.00 0.00 N ATOM 633 CA THR A 43 24.832 -19.351 36.672 1.00 0.00 C ATOM 634 C THR A 43 23.831 -20.398 37.147 1.00 0.00 C ATOM 635 O THR A 43 23.745 -20.692 38.339 1.00 0.00 O ATOM 636 CB THR A 43 24.179 -17.959 36.753 1.00 0.00 C ATOM 637 OG1 THR A 43 23.927 -17.614 38.119 1.00 0.00 O ATOM 638 CG2 THR A 43 22.875 -17.927 35.968 1.00 0.00 C ATOM 0 H THR A 43 25.097 -18.911 34.640 1.00 0.00 H new ATOM 0 HA THR A 43 25.709 -19.370 37.319 1.00 0.00 H new ATOM 0 HB THR A 43 24.866 -17.234 36.317 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.513 -16.727 38.161 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.432 -16.934 36.040 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.074 -18.161 34.922 1.00 0.00 H new ATOM 0 HG23 THR A 43 22.184 -18.663 36.379 1.00 0.00 H new ATOM 646 N ALA A 44 23.077 -20.959 36.208 1.00 0.00 N ATOM 647 CA ALA A 44 22.084 -21.975 36.531 1.00 0.00 C ATOM 648 C ALA A 44 22.749 -23.258 37.018 1.00 0.00 C ATOM 649 O ALA A 44 22.120 -24.084 37.676 1.00 0.00 O ATOM 650 CB ALA A 44 21.207 -22.260 35.321 1.00 0.00 C ATOM 0 H ALA A 44 23.135 -20.727 35.217 1.00 0.00 H new ATOM 0 HA ALA A 44 21.459 -21.592 37.337 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.470 -23.021 35.577 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.695 -21.346 35.019 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.827 -22.617 34.499 1.00 0.00 H new ATOM 656 N GLY A 45 24.027 -23.418 36.688 1.00 0.00 N ATOM 657 CA GLY A 45 24.757 -24.603 37.100 1.00 0.00 C ATOM 658 C GLY A 45 25.161 -25.472 35.925 1.00 0.00 C ATOM 659 O GLY A 45 26.037 -26.328 36.049 1.00 0.00 O ATOM 0 H GLY A 45 24.570 -22.748 36.143 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.649 -24.304 37.650 1.00 0.00 H new ATOM 0 HA3 GLY A 45 24.141 -25.186 37.784 1.00 0.00 H new ATOM 663 N PHE A 46 24.519 -25.254 34.782 1.00 0.00 N ATOM 664 CA PHE A 46 24.815 -26.026 33.580 1.00 0.00 C ATOM 665 C PHE A 46 26.051 -25.479 32.872 1.00 0.00 C ATOM 666 O PHE A 46 25.947 -24.643 31.974 1.00 0.00 O ATOM 667 CB PHE A 46 23.617 -26.007 32.628 1.00 0.00 C ATOM 668 CG PHE A 46 22.306 -26.279 33.309 1.00 0.00 C ATOM 669 CD1 PHE A 46 22.048 -27.518 33.874 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.331 -25.297 33.383 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.843 -27.771 34.500 1.00 0.00 C ATOM 672 CE2 PHE A 46 20.124 -25.545 34.009 1.00 0.00 C ATOM 673 CZ PHE A 46 19.880 -26.783 34.569 1.00 0.00 C ATOM 0 H PHE A 46 23.791 -24.550 34.663 1.00 0.00 H new ATOM 0 HA PHE A 46 25.016 -27.055 33.880 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.568 -25.035 32.138 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.772 -26.751 31.846 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.797 -28.294 33.824 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.516 -24.327 32.946 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.654 -28.741 34.935 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.372 -24.771 34.060 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.938 -26.979 35.060 1.00 0.00 H new ATOM 683 N THR A 47 27.221 -25.956 33.283 1.00 0.00 N ATOM 684 CA THR A 47 28.477 -25.515 32.691 1.00 0.00 C ATOM 685 C THR A 47 28.907 -26.441 31.559 1.00 0.00 C ATOM 686 O THR A 47 29.520 -26.004 30.585 1.00 0.00 O ATOM 687 CB THR A 47 29.602 -25.451 33.742 1.00 0.00 C ATOM 688 OG1 THR A 47 29.743 -26.721 34.387 1.00 0.00 O ATOM 689 CG2 THR A 47 29.312 -24.378 34.781 1.00 0.00 C ATOM 0 H THR A 47 27.325 -26.649 34.024 1.00 0.00 H new ATOM 0 HA THR A 47 28.304 -24.515 32.293 1.00 0.00 H new ATOM 0 HB THR A 47 30.531 -25.198 33.232 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.461 -26.672 35.052 1.00 0.00 H new ATOM 0 HG21 THR A 47 30.120 -24.352 35.512 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.235 -23.408 34.290 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.373 -24.605 35.286 1.00 0.00 H new ATOM 697 N SER A 48 28.581 -27.723 31.693 1.00 0.00 N ATOM 698 CA SER A 48 28.937 -28.711 30.682 1.00 0.00 C ATOM 699 C SER A 48 27.703 -29.163 29.907 1.00 0.00 C ATOM 700 O SER A 48 26.657 -29.447 30.492 1.00 0.00 O ATOM 701 CB SER A 48 29.613 -29.919 31.335 1.00 0.00 C ATOM 702 OG SER A 48 30.785 -29.532 32.031 1.00 0.00 O ATOM 0 H SER A 48 28.071 -28.101 32.491 1.00 0.00 H new ATOM 0 HA SER A 48 29.634 -28.246 29.984 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.919 -30.400 32.024 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.866 -30.655 30.572 1.00 0.00 H new ATOM 0 HG SER A 48 31.198 -30.321 32.441 1.00 0.00 H new ATOM 708 N LEU A 49 27.832 -29.228 28.587 1.00 0.00 N ATOM 709 CA LEU A 49 26.729 -29.645 27.729 1.00 0.00 C ATOM 710 C LEU A 49 26.157 -30.982 28.189 1.00 0.00 C ATOM 711 O LEU A 49 24.972 -31.257 28.003 1.00 0.00 O ATOM 712 CB LEU A 49 27.197 -29.750 26.276 1.00 0.00 C ATOM 713 CG LEU A 49 27.273 -28.435 25.499 1.00 0.00 C ATOM 714 CD1 LEU A 49 25.913 -27.757 25.463 1.00 0.00 C ATOM 715 CD2 LEU A 49 28.316 -27.513 26.113 1.00 0.00 C ATOM 0 H LEU A 49 28.690 -28.997 28.087 1.00 0.00 H new ATOM 0 HA LEU A 49 25.944 -28.892 27.797 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.184 -30.213 26.266 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.524 -30.424 25.746 1.00 0.00 H new ATOM 0 HG LEU A 49 27.572 -28.657 24.474 1.00 0.00 H new ATOM 0 HD11 LEU A 49 25.987 -26.823 24.906 1.00 0.00 H new ATOM 0 HD12 LEU A 49 25.192 -28.414 24.976 1.00 0.00 H new ATOM 0 HD13 LEU A 49 25.584 -27.547 26.481 1.00 0.00 H new ATOM 0 HD21 LEU A 49 28.357 -26.582 25.548 1.00 0.00 H new ATOM 0 HD22 LEU A 49 28.048 -27.298 27.147 1.00 0.00 H new ATOM 0 HD23 LEU A 49 29.292 -27.998 26.085 1.00 0.00 H new ATOM 727 N GLN A 50 27.007 -31.808 28.790 1.00 0.00 N ATOM 728 CA GLN A 50 26.585 -33.116 29.278 1.00 0.00 C ATOM 729 C GLN A 50 25.368 -32.991 30.187 1.00 0.00 C ATOM 730 O GLN A 50 24.551 -33.909 30.279 1.00 0.00 O ATOM 731 CB GLN A 50 27.730 -33.796 30.030 1.00 0.00 C ATOM 732 CG GLN A 50 28.442 -32.881 31.013 1.00 0.00 C ATOM 733 CD GLN A 50 28.711 -33.551 32.345 1.00 0.00 C ATOM 734 OE1 GLN A 50 28.692 -32.768 33.417 1.00 0.00 O flip ATOM 735 NE2 GLN A 50 28.934 -34.761 32.411 1.00 0.00 N flip ATOM 0 H GLN A 50 27.991 -31.595 28.951 1.00 0.00 H new ATOM 0 HA GLN A 50 26.311 -33.726 28.417 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.338 -34.659 30.569 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.454 -34.173 29.308 1.00 0.00 H new ATOM 0 HG2 GLN A 50 29.386 -32.552 30.579 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.838 -31.988 31.175 1.00 0.00 H new ATOM 0 HE21 GLN A 50 28.939 -35.326 31.562 1.00 0.00 H new ATOM 0 HE22 GLN A 50 29.113 -35.198 33.315 1.00 0.00 H new ATOM 744 N LEU A 51 25.251 -31.850 30.858 1.00 0.00 N ATOM 745 CA LEU A 51 24.132 -31.604 31.762 1.00 0.00 C ATOM 746 C LEU A 51 22.963 -30.965 31.019 1.00 0.00 C ATOM 747 O LEU A 51 21.808 -31.102 31.424 1.00 0.00 O ATOM 748 CB LEU A 51 24.572 -30.703 32.916 1.00 0.00 C ATOM 749 CG LEU A 51 25.682 -31.253 33.812 1.00 0.00 C ATOM 750 CD1 LEU A 51 26.089 -30.221 34.853 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.236 -32.544 34.483 1.00 0.00 C ATOM 0 H LEU A 51 25.917 -31.080 30.793 1.00 0.00 H new ATOM 0 HA LEU A 51 23.803 -32.563 32.163 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.906 -29.752 32.501 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.702 -30.492 33.538 1.00 0.00 H new ATOM 0 HG LEU A 51 26.550 -31.472 33.190 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.880 -30.630 35.481 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.451 -29.323 34.353 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.228 -29.969 35.472 1.00 0.00 H new ATOM 0 HD21 LEU A 51 26.039 -32.921 35.117 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.353 -32.351 35.092 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.996 -33.286 33.721 1.00 0.00 H new ATOM 763 N VAL A 52 23.270 -30.269 29.930 1.00 0.00 N ATOM 764 CA VAL A 52 22.245 -29.611 29.128 1.00 0.00 C ATOM 765 C VAL A 52 21.491 -30.618 28.267 1.00 0.00 C ATOM 766 O VAL A 52 20.295 -30.465 28.015 1.00 0.00 O ATOM 767 CB VAL A 52 22.853 -28.527 28.218 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.773 -27.877 27.367 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.588 -27.486 29.049 1.00 0.00 C ATOM 0 H VAL A 52 24.221 -30.146 29.582 1.00 0.00 H new ATOM 0 HA VAL A 52 21.551 -29.141 29.825 1.00 0.00 H new ATOM 0 HB VAL A 52 23.573 -28.999 27.549 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.221 -27.114 26.731 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.296 -28.634 26.745 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.027 -27.417 28.015 1.00 0.00 H new ATOM 0 HG21 VAL A 52 24.011 -26.728 28.391 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.891 -27.016 29.743 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.389 -27.968 29.610 1.00 0.00 H new ATOM 779 N THR A 53 22.198 -31.650 27.816 1.00 0.00 N ATOM 780 CA THR A 53 21.597 -32.683 26.982 1.00 0.00 C ATOM 781 C THR A 53 20.415 -33.339 27.686 1.00 0.00 C ATOM 782 O THR A 53 19.527 -33.895 27.040 1.00 0.00 O ATOM 783 CB THR A 53 22.622 -33.768 26.605 1.00 0.00 C ATOM 784 OG1 THR A 53 23.215 -34.315 27.788 1.00 0.00 O ATOM 785 CG2 THR A 53 23.708 -33.197 25.705 1.00 0.00 C ATOM 0 H THR A 53 23.188 -31.792 28.015 1.00 0.00 H new ATOM 0 HA THR A 53 21.249 -32.192 26.073 1.00 0.00 H new ATOM 0 HB THR A 53 22.100 -34.557 26.063 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.865 -35.005 27.539 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.421 -33.982 25.452 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.257 -32.808 24.792 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.226 -32.391 26.226 1.00 0.00 H new ATOM 793 N GLN A 54 20.410 -33.271 29.013 1.00 0.00 N ATOM 794 CA GLN A 54 19.336 -33.859 29.804 1.00 0.00 C ATOM 795 C GLN A 54 18.335 -32.795 30.240 1.00 0.00 C ATOM 796 O GLN A 54 17.642 -32.955 31.245 1.00 0.00 O ATOM 797 CB GLN A 54 19.908 -34.571 31.032 1.00 0.00 C ATOM 798 CG GLN A 54 21.118 -35.439 30.722 1.00 0.00 C ATOM 799 CD GLN A 54 21.518 -36.319 31.890 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.725 -36.561 32.800 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.754 -36.803 31.870 1.00 0.00 N ATOM 0 H GLN A 54 21.138 -32.815 29.563 1.00 0.00 H new ATOM 0 HA GLN A 54 18.817 -34.586 29.180 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.187 -33.826 31.777 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.130 -35.191 31.477 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.899 -36.066 29.858 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.958 -34.801 30.448 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.378 -36.577 31.095 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.080 -37.401 32.629 1.00 0.00 H new ATOM 810 N MET A 55 18.265 -31.708 29.479 1.00 0.00 N ATOM 811 CA MET A 55 17.348 -30.617 29.787 1.00 0.00 C ATOM 812 C MET A 55 16.175 -30.601 28.812 1.00 0.00 C ATOM 813 O MET A 55 16.148 -31.362 27.844 1.00 0.00 O ATOM 814 CB MET A 55 18.083 -29.275 29.740 1.00 0.00 C ATOM 815 CG MET A 55 19.152 -29.131 30.811 1.00 0.00 C ATOM 816 SD MET A 55 18.468 -29.124 32.479 1.00 0.00 S ATOM 817 CE MET A 55 19.050 -30.704 33.090 1.00 0.00 C ATOM 0 H MET A 55 18.832 -31.559 28.645 1.00 0.00 H new ATOM 0 HA MET A 55 16.960 -30.776 30.793 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.544 -29.157 28.759 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.358 -28.469 29.851 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.866 -29.950 30.719 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.705 -28.206 30.645 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.220 -31.248 33.542 1.00 0.00 H new ATOM 0 HE2 MET A 55 19.458 -31.286 32.263 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.827 -30.541 33.837 1.00 0.00 H new ATOM 827 N THR A 56 15.205 -29.730 29.073 1.00 0.00 N ATOM 828 CA THR A 56 14.029 -29.617 28.220 1.00 0.00 C ATOM 829 C THR A 56 13.564 -28.169 28.115 1.00 0.00 C ATOM 830 O THR A 56 14.096 -27.285 28.786 1.00 0.00 O ATOM 831 CB THR A 56 12.868 -30.480 28.747 1.00 0.00 C ATOM 832 OG1 THR A 56 11.812 -30.525 27.780 1.00 0.00 O ATOM 833 CG2 THR A 56 12.336 -29.928 30.061 1.00 0.00 C ATOM 0 H THR A 56 15.211 -29.092 29.869 1.00 0.00 H new ATOM 0 HA THR A 56 14.319 -29.976 27.232 1.00 0.00 H new ATOM 0 HB THR A 56 13.244 -31.488 28.921 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.078 -31.077 28.122 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.516 -30.554 30.414 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.134 -29.923 30.803 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.976 -28.911 29.909 1.00 0.00 H new ATOM 841 N SER A 57 12.567 -27.933 27.268 1.00 0.00 N ATOM 842 CA SER A 57 12.031 -26.591 27.072 1.00 0.00 C ATOM 843 C SER A 57 11.664 -25.952 28.408 1.00 0.00 C ATOM 844 O SER A 57 11.773 -24.739 28.579 1.00 0.00 O ATOM 845 CB SER A 57 10.803 -26.636 26.161 1.00 0.00 C ATOM 846 OG SER A 57 10.590 -27.944 25.658 1.00 0.00 O ATOM 0 H SER A 57 12.114 -28.654 26.706 1.00 0.00 H new ATOM 0 HA SER A 57 12.803 -25.985 26.598 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.923 -26.308 26.715 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.935 -25.941 25.332 1.00 0.00 H new ATOM 0 HG SER A 57 10.234 -28.515 26.371 1.00 0.00 H new ATOM 852 N GLU A 58 11.228 -26.780 29.353 1.00 0.00 N ATOM 853 CA GLU A 58 10.843 -26.297 30.674 1.00 0.00 C ATOM 854 C GLU A 58 12.045 -25.713 31.411 1.00 0.00 C ATOM 855 O GLU A 58 11.935 -24.692 32.089 1.00 0.00 O ATOM 856 CB GLU A 58 10.227 -27.430 31.497 1.00 0.00 C ATOM 857 CG GLU A 58 9.022 -28.077 30.835 1.00 0.00 C ATOM 858 CD GLU A 58 8.087 -28.728 31.836 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.398 -29.844 32.301 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.043 -28.120 32.153 1.00 0.00 O ATOM 0 H GLU A 58 11.133 -27.788 29.228 1.00 0.00 H new ATOM 0 HA GLU A 58 10.101 -25.509 30.543 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.986 -28.192 31.676 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.931 -27.041 32.471 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.475 -27.323 30.269 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.363 -28.827 30.121 1.00 0.00 H new ATOM 867 N ASP A 59 13.192 -26.370 31.273 1.00 0.00 N ATOM 868 CA ASP A 59 14.415 -25.917 31.924 1.00 0.00 C ATOM 869 C ASP A 59 14.836 -24.547 31.400 1.00 0.00 C ATOM 870 O ASP A 59 15.393 -23.733 32.137 1.00 0.00 O ATOM 871 CB ASP A 59 15.541 -26.929 31.703 1.00 0.00 C ATOM 872 CG ASP A 59 15.287 -28.242 32.417 1.00 0.00 C ATOM 873 OD1 ASP A 59 14.929 -28.208 33.613 1.00 0.00 O ATOM 874 OD2 ASP A 59 15.447 -29.304 31.780 1.00 0.00 O ATOM 0 H ASP A 59 13.300 -27.218 30.716 1.00 0.00 H new ATOM 0 HA ASP A 59 14.217 -25.832 32.993 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.654 -27.115 30.635 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.482 -26.504 32.053 1.00 0.00 H new ATOM 879 N LEU A 60 14.566 -24.301 30.123 1.00 0.00 N ATOM 880 CA LEU A 60 14.917 -23.030 29.499 1.00 0.00 C ATOM 881 C LEU A 60 14.098 -21.888 30.091 1.00 0.00 C ATOM 882 O LEU A 60 14.603 -20.781 30.282 1.00 0.00 O ATOM 883 CB LEU A 60 14.695 -23.102 27.987 1.00 0.00 C ATOM 884 CG LEU A 60 15.163 -24.386 27.301 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.864 -24.334 25.811 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.650 -24.607 27.541 1.00 0.00 C ATOM 0 H LEU A 60 14.106 -24.964 29.500 1.00 0.00 H new ATOM 0 HA LEU A 60 15.971 -22.836 29.696 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.631 -22.975 27.790 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.207 -22.259 27.524 1.00 0.00 H new ATOM 0 HG LEU A 60 14.617 -25.225 27.731 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.204 -25.256 25.339 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.790 -24.223 25.659 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.383 -23.486 25.365 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.966 -25.525 27.046 1.00 0.00 H new ATOM 0 HD22 LEU A 60 17.213 -23.765 27.138 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.837 -24.689 28.612 1.00 0.00 H new ATOM 898 N LEU A 61 12.831 -22.164 30.380 1.00 0.00 N ATOM 899 CA LEU A 61 11.941 -21.160 30.953 1.00 0.00 C ATOM 900 C LEU A 61 12.242 -20.946 32.433 1.00 0.00 C ATOM 901 O LEU A 61 11.864 -19.928 33.013 1.00 0.00 O ATOM 902 CB LEU A 61 10.481 -21.582 30.773 1.00 0.00 C ATOM 903 CG LEU A 61 9.847 -21.248 29.423 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.489 -22.521 28.672 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.616 -20.374 29.613 1.00 0.00 C ATOM 0 H LEU A 61 12.397 -23.074 30.227 1.00 0.00 H new ATOM 0 HA LEU A 61 12.108 -20.220 30.428 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.414 -22.659 30.927 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.888 -21.110 31.557 1.00 0.00 H new ATOM 0 HG LEU A 61 10.573 -20.693 28.830 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.039 -22.263 27.713 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.391 -23.110 28.503 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.780 -23.104 29.261 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.178 -20.146 28.641 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.886 -20.903 30.225 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.902 -19.446 30.109 1.00 0.00 H new ATOM 917 N ARG A 62 12.926 -21.912 33.038 1.00 0.00 N ATOM 918 CA ARG A 62 13.279 -21.829 34.450 1.00 0.00 C ATOM 919 C ARG A 62 14.435 -20.858 34.665 1.00 0.00 C ATOM 920 O ARG A 62 14.453 -20.105 35.640 1.00 0.00 O ATOM 921 CB ARG A 62 13.653 -23.212 34.986 1.00 0.00 C ATOM 922 CG ARG A 62 12.528 -24.229 34.889 1.00 0.00 C ATOM 923 CD ARG A 62 12.143 -24.766 36.259 1.00 0.00 C ATOM 924 NE ARG A 62 10.699 -24.944 36.391 1.00 0.00 N ATOM 925 CZ ARG A 62 9.860 -23.954 36.675 1.00 0.00 C ATOM 926 NH1 ARG A 62 10.318 -22.723 36.856 1.00 0.00 N ATOM 927 NH2 ARG A 62 8.559 -24.195 36.779 1.00 0.00 N ATOM 0 H ARG A 62 13.247 -22.761 32.572 1.00 0.00 H new ATOM 0 HA ARG A 62 12.411 -21.459 34.995 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.516 -23.584 34.434 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.957 -23.118 36.028 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.659 -23.768 34.420 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.836 -25.054 34.247 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.643 -25.720 36.428 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.496 -24.080 37.029 1.00 0.00 H new ATOM 0 HE ARG A 62 10.314 -25.879 36.258 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.317 -22.534 36.777 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.671 -21.965 37.074 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.203 -25.141 36.641 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.915 -23.434 36.997 1.00 0.00 H new ATOM 941 N ILE A 63 15.398 -20.880 33.750 1.00 0.00 N ATOM 942 CA ILE A 63 16.558 -20.001 33.840 1.00 0.00 C ATOM 943 C ILE A 63 16.221 -18.596 33.352 1.00 0.00 C ATOM 944 O ILE A 63 16.831 -17.617 33.779 1.00 0.00 O ATOM 945 CB ILE A 63 17.743 -20.547 33.022 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.388 -20.587 31.534 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.134 -21.932 33.515 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.524 -21.059 30.654 1.00 0.00 C ATOM 0 H ILE A 63 15.398 -21.497 32.938 1.00 0.00 H new ATOM 0 HA ILE A 63 16.842 -19.959 34.891 1.00 0.00 H new ATOM 0 HB ILE A 63 18.595 -19.881 33.156 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.531 -21.245 31.391 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.082 -19.591 31.215 1.00 0.00 H new ATOM 0 HG21 ILE A 63 18.973 -22.304 32.927 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.423 -21.876 34.565 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.287 -22.609 33.407 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.201 -21.062 29.613 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.375 -20.388 30.768 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.816 -22.068 30.946 1.00 0.00 H new ATOM 960 N GLY A 64 15.245 -18.505 32.454 1.00 0.00 N ATOM 961 CA GLY A 64 14.842 -17.216 31.924 1.00 0.00 C ATOM 962 C GLY A 64 14.411 -17.295 30.473 1.00 0.00 C ATOM 963 O GLY A 64 13.486 -16.597 30.055 1.00 0.00 O ATOM 0 H GLY A 64 14.726 -19.301 32.084 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.021 -16.821 32.523 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.670 -16.514 32.016 1.00 0.00 H new ATOM 967 N ILE A 65 15.082 -18.145 29.703 1.00 0.00 N ATOM 968 CA ILE A 65 14.762 -18.311 28.291 1.00 0.00 C ATOM 969 C ILE A 65 13.282 -18.625 28.095 1.00 0.00 C ATOM 970 O ILE A 65 12.843 -19.756 28.303 1.00 0.00 O ATOM 971 CB ILE A 65 15.602 -19.433 27.652 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.094 -19.136 27.810 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.241 -19.593 26.182 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.978 -20.343 27.585 1.00 0.00 C ATOM 0 H ILE A 65 15.850 -18.729 30.033 1.00 0.00 H new ATOM 0 HA ILE A 65 14.998 -17.366 27.801 1.00 0.00 H new ATOM 0 HB ILE A 65 15.381 -20.369 28.165 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.377 -18.353 27.107 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.274 -18.745 28.812 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.843 -20.389 25.744 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.184 -19.845 26.092 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.437 -18.659 25.655 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.022 -20.058 27.713 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.723 -21.120 28.305 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.827 -20.721 26.574 1.00 0.00 H new ATOM 986 N THR A 66 12.517 -17.615 27.692 1.00 0.00 N ATOM 987 CA THR A 66 11.087 -17.782 27.468 1.00 0.00 C ATOM 988 C THR A 66 10.702 -17.377 26.049 1.00 0.00 C ATOM 989 O THR A 66 9.523 -17.203 25.741 1.00 0.00 O ATOM 990 CB THR A 66 10.260 -16.952 28.468 1.00 0.00 C ATOM 991 OG1 THR A 66 10.679 -15.583 28.432 1.00 0.00 O ATOM 992 CG2 THR A 66 10.413 -17.497 29.880 1.00 0.00 C ATOM 0 H THR A 66 12.865 -16.673 27.514 1.00 0.00 H new ATOM 0 HA THR A 66 10.866 -18.839 27.615 1.00 0.00 H new ATOM 0 HB THR A 66 9.210 -17.018 28.181 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.148 -15.061 29.069 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.820 -16.895 30.569 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.067 -18.530 29.911 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.462 -17.457 30.174 1.00 0.00 H new ATOM 1000 N LEU A 67 11.704 -17.231 25.189 1.00 0.00 N ATOM 1001 CA LEU A 67 11.470 -16.847 23.801 1.00 0.00 C ATOM 1002 C LEU A 67 11.064 -18.056 22.963 1.00 0.00 C ATOM 1003 O LEU A 67 11.890 -18.914 22.654 1.00 0.00 O ATOM 1004 CB LEU A 67 12.725 -16.202 23.211 1.00 0.00 C ATOM 1005 CG LEU A 67 12.883 -14.700 23.450 1.00 0.00 C ATOM 1006 CD1 LEU A 67 11.878 -13.919 22.617 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.721 -14.375 24.928 1.00 0.00 C ATOM 0 H LEU A 67 12.685 -17.373 25.428 1.00 0.00 H new ATOM 0 HA LEU A 67 10.654 -16.124 23.782 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.598 -16.709 23.623 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.730 -16.381 22.136 1.00 0.00 H new ATOM 0 HG LEU A 67 13.886 -14.406 23.142 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.005 -12.852 22.800 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.041 -14.128 21.560 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.867 -14.217 22.894 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.837 -13.302 25.079 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.731 -14.684 25.262 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.480 -14.906 25.503 1.00 0.00 H new ATOM 1019 N ALA A 68 9.788 -18.114 22.598 1.00 0.00 N ATOM 1020 CA ALA A 68 9.273 -19.214 21.792 1.00 0.00 C ATOM 1021 C ALA A 68 10.086 -19.385 20.513 1.00 0.00 C ATOM 1022 O ALA A 68 10.261 -20.499 20.021 1.00 0.00 O ATOM 1023 CB ALA A 68 7.806 -18.986 21.461 1.00 0.00 C ATOM 0 H ALA A 68 9.091 -17.412 22.848 1.00 0.00 H new ATOM 0 HA ALA A 68 9.363 -20.131 22.374 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.436 -19.816 20.859 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.230 -18.922 22.384 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.699 -18.056 20.902 1.00 0.00 H new ATOM 1029 N GLY A 69 10.579 -18.272 19.977 1.00 0.00 N ATOM 1030 CA GLY A 69 11.366 -18.320 18.759 1.00 0.00 C ATOM 1031 C GLY A 69 12.793 -18.766 19.008 1.00 0.00 C ATOM 1032 O GLY A 69 13.487 -19.197 18.086 1.00 0.00 O ATOM 0 H GLY A 69 10.447 -17.338 20.365 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.894 -19.002 18.052 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.373 -17.334 18.295 1.00 0.00 H new ATOM 1036 N HIS A 70 13.234 -18.663 20.258 1.00 0.00 N ATOM 1037 CA HIS A 70 14.589 -19.058 20.625 1.00 0.00 C ATOM 1038 C HIS A 70 14.629 -20.518 21.066 1.00 0.00 C ATOM 1039 O HIS A 70 15.500 -21.279 20.645 1.00 0.00 O ATOM 1040 CB HIS A 70 15.119 -18.161 21.745 1.00 0.00 C ATOM 1041 CG HIS A 70 15.308 -16.735 21.331 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.860 -15.778 22.156 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.018 -16.104 20.169 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.899 -14.621 21.521 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.394 -14.791 20.313 1.00 0.00 N ATOM 0 H HIS A 70 12.673 -18.310 21.033 1.00 0.00 H new ATOM 0 HA HIS A 70 15.224 -18.944 19.747 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.427 -18.198 22.587 1.00 0.00 H new ATOM 0 HB3 HIS A 70 16.071 -18.558 22.097 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.574 -16.550 19.292 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.279 -13.693 21.922 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.299 -14.065 19.602 1.00 0.00 H new ATOM 1053 N GLN A 71 13.680 -20.901 21.914 1.00 0.00 N ATOM 1054 CA GLN A 71 13.608 -22.270 22.412 1.00 0.00 C ATOM 1055 C GLN A 71 13.606 -23.269 21.259 1.00 0.00 C ATOM 1056 O GLN A 71 14.225 -24.330 21.342 1.00 0.00 O ATOM 1057 CB GLN A 71 12.355 -22.459 23.268 1.00 0.00 C ATOM 1058 CG GLN A 71 12.422 -21.747 24.610 1.00 0.00 C ATOM 1059 CD GLN A 71 11.058 -21.583 25.252 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.043 -22.003 24.696 1.00 0.00 O ATOM 1061 NE2 GLN A 71 11.028 -20.969 26.429 1.00 0.00 N ATOM 0 H GLN A 71 12.951 -20.283 22.270 1.00 0.00 H new ATOM 0 HA GLN A 71 14.490 -22.453 23.026 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.489 -22.094 22.715 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.199 -23.524 23.439 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.071 -22.308 25.283 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.876 -20.765 24.474 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.894 -20.637 26.853 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.139 -20.829 26.909 1.00 0.00 H new ATOM 1070 N LYS A 72 12.906 -22.923 20.185 1.00 0.00 N ATOM 1071 CA LYS A 72 12.823 -23.788 19.014 1.00 0.00 C ATOM 1072 C LYS A 72 14.215 -24.155 18.508 1.00 0.00 C ATOM 1073 O LYS A 72 14.408 -25.207 17.900 1.00 0.00 O ATOM 1074 CB LYS A 72 12.029 -23.100 17.901 1.00 0.00 C ATOM 1075 CG LYS A 72 10.998 -24.001 17.243 1.00 0.00 C ATOM 1076 CD LYS A 72 9.732 -23.236 16.893 1.00 0.00 C ATOM 1077 CE LYS A 72 8.812 -23.102 18.097 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.422 -23.537 17.784 1.00 0.00 N ATOM 0 H LYS A 72 12.387 -22.049 20.101 1.00 0.00 H new ATOM 0 HA LYS A 72 12.309 -24.704 19.306 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.525 -22.226 18.313 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.722 -22.740 17.141 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.421 -24.440 16.339 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.753 -24.825 17.913 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.995 -22.245 16.522 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.207 -23.749 16.087 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.203 -23.699 18.921 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.801 -22.065 18.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.826 -23.430 18.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.040 -22.951 17.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.429 -24.534 17.488 1.00 0.00 H new ATOM 1092 N LYS A 73 15.181 -23.280 18.765 1.00 0.00 N ATOM 1093 CA LYS A 73 16.556 -23.512 18.339 1.00 0.00 C ATOM 1094 C LYS A 73 17.307 -24.359 19.362 1.00 0.00 C ATOM 1095 O LYS A 73 17.927 -25.364 19.013 1.00 0.00 O ATOM 1096 CB LYS A 73 17.280 -22.179 18.134 1.00 0.00 C ATOM 1097 CG LYS A 73 18.564 -22.302 17.331 1.00 0.00 C ATOM 1098 CD LYS A 73 18.706 -21.167 16.331 1.00 0.00 C ATOM 1099 CE LYS A 73 19.627 -21.548 15.182 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.070 -21.137 13.864 1.00 0.00 N ATOM 0 H LYS A 73 15.037 -22.403 19.266 1.00 0.00 H new ATOM 0 HA LYS A 73 16.531 -24.054 17.393 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.609 -21.485 17.627 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.510 -21.746 19.108 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.419 -22.302 18.007 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.575 -23.256 16.804 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.724 -20.901 15.939 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.098 -20.284 16.835 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.601 -21.080 15.327 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.788 -22.626 15.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.727 -21.415 13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.153 -21.604 13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.940 -20.105 13.848 1.00 0.00 H new ATOM 1114 N ILE A 74 17.246 -23.946 20.623 1.00 0.00 N ATOM 1115 CA ILE A 74 17.919 -24.669 21.696 1.00 0.00 C ATOM 1116 C ILE A 74 17.511 -26.138 21.709 1.00 0.00 C ATOM 1117 O ILE A 74 18.346 -27.027 21.535 1.00 0.00 O ATOM 1118 CB ILE A 74 17.610 -24.050 23.072 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.041 -22.582 23.103 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.304 -24.836 24.174 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.592 -21.847 24.347 1.00 0.00 C ATOM 0 H ILE A 74 16.738 -23.115 20.927 1.00 0.00 H new ATOM 0 HA ILE A 74 18.989 -24.593 21.505 1.00 0.00 H new ATOM 0 HB ILE A 74 16.534 -24.097 23.242 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.127 -22.529 23.032 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.639 -22.075 22.226 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.076 -24.386 25.140 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.952 -25.868 24.162 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.382 -24.818 24.011 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.932 -20.813 24.301 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.504 -21.869 24.410 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.016 -22.330 25.228 1.00 0.00 H new ATOM 1133 N LEU A 75 16.222 -26.387 21.913 1.00 0.00 N ATOM 1134 CA LEU A 75 15.702 -27.749 21.947 1.00 0.00 C ATOM 1135 C LEU A 75 16.097 -28.514 20.688 1.00 0.00 C ATOM 1136 O LEU A 75 16.453 -29.690 20.751 1.00 0.00 O ATOM 1137 CB LEU A 75 14.179 -27.731 22.089 1.00 0.00 C ATOM 1138 CG LEU A 75 13.623 -26.909 23.252 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.119 -26.735 23.112 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.965 -27.566 24.581 1.00 0.00 C ATOM 0 H LEU A 75 15.518 -25.663 22.057 1.00 0.00 H new ATOM 0 HA LEU A 75 16.136 -28.256 22.809 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.752 -27.347 21.162 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.832 -28.759 22.198 1.00 0.00 H new ATOM 0 HG LEU A 75 14.085 -25.922 23.228 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.741 -26.147 23.949 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.898 -26.219 22.177 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.638 -27.713 23.109 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.561 -26.967 25.397 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.531 -28.565 24.615 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.048 -27.637 24.684 1.00 0.00 H new ATOM 1152 N ASN A 76 16.034 -27.838 19.546 1.00 0.00 N ATOM 1153 CA ASN A 76 16.387 -28.453 18.272 1.00 0.00 C ATOM 1154 C ASN A 76 17.822 -28.971 18.297 1.00 0.00 C ATOM 1155 O ASN A 76 18.170 -29.901 17.570 1.00 0.00 O ATOM 1156 CB ASN A 76 16.215 -27.448 17.131 1.00 0.00 C ATOM 1157 CG ASN A 76 14.862 -27.565 16.457 1.00 0.00 C ATOM 1158 OD1 ASN A 76 13.940 -28.179 16.993 1.00 0.00 O ATOM 1159 ND2 ASN A 76 14.737 -26.973 15.275 1.00 0.00 N ATOM 0 H ASN A 76 15.742 -26.863 19.477 1.00 0.00 H new ATOM 0 HA ASN A 76 15.718 -29.297 18.107 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.338 -26.437 17.519 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.001 -27.604 16.392 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.850 -27.017 14.774 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.528 -26.475 14.868 1.00 0.00 H new ATOM 1166 N SER A 77 18.650 -28.361 19.139 1.00 0.00 N ATOM 1167 CA SER A 77 20.048 -28.758 19.257 1.00 0.00 C ATOM 1168 C SER A 77 20.231 -29.781 20.374 1.00 0.00 C ATOM 1169 O SER A 77 21.002 -30.731 20.241 1.00 0.00 O ATOM 1170 CB SER A 77 20.927 -27.534 19.523 1.00 0.00 C ATOM 1171 OG SER A 77 22.276 -27.789 19.174 1.00 0.00 O ATOM 0 H SER A 77 18.377 -27.590 19.749 1.00 0.00 H new ATOM 0 HA SER A 77 20.350 -29.216 18.315 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.555 -26.684 18.951 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.866 -27.261 20.576 1.00 0.00 H new ATOM 0 HG SER A 77 22.609 -27.065 18.603 1.00 0.00 H new ATOM 1177 N ILE A 78 19.515 -29.579 21.475 1.00 0.00 N ATOM 1178 CA ILE A 78 19.596 -30.484 22.615 1.00 0.00 C ATOM 1179 C ILE A 78 19.055 -31.865 22.261 1.00 0.00 C ATOM 1180 O ILE A 78 19.656 -32.885 22.600 1.00 0.00 O ATOM 1181 CB ILE A 78 18.817 -29.936 23.826 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.362 -28.565 24.232 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.896 -30.910 24.992 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.497 -27.847 25.244 1.00 0.00 C ATOM 0 H ILE A 78 18.873 -28.797 21.602 1.00 0.00 H new ATOM 0 HA ILE A 78 20.651 -30.566 22.878 1.00 0.00 H new ATOM 0 HB ILE A 78 17.770 -29.821 23.544 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.363 -28.689 24.644 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.458 -27.943 23.342 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.341 -30.508 25.840 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.465 -31.867 24.697 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.938 -31.054 25.276 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.944 -26.883 25.486 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.502 -27.692 24.827 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.421 -28.449 26.150 1.00 0.00 H new ATOM 1196 N HIS A 79 17.918 -31.891 21.574 1.00 0.00 N ATOM 1197 CA HIS A 79 17.297 -33.147 21.170 1.00 0.00 C ATOM 1198 C HIS A 79 18.251 -33.974 20.314 1.00 0.00 C ATOM 1199 O HIS A 79 18.268 -35.202 20.396 1.00 0.00 O ATOM 1200 CB HIS A 79 16.004 -32.877 20.399 1.00 0.00 C ATOM 1201 CG HIS A 79 14.943 -33.908 20.630 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.616 -33.706 20.313 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.018 -35.156 21.148 1.00 0.00 C ATOM 1204 CE1 HIS A 79 12.921 -34.785 20.628 1.00 0.00 C ATOM 1205 NE2 HIS A 79 13.749 -35.680 21.136 1.00 0.00 N ATOM 0 H HIS A 79 17.408 -31.056 21.285 1.00 0.00 H new ATOM 0 HA HIS A 79 17.062 -33.714 22.071 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.617 -31.899 20.685 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.229 -32.831 19.333 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.911 -35.648 21.505 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.857 -34.913 20.493 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.488 -36.609 21.466 1.00 0.00 H new ATOM 1213 N SER A 80 19.043 -33.293 19.492 1.00 0.00 N ATOM 1214 CA SER A 80 19.996 -33.965 18.617 1.00 0.00 C ATOM 1215 C SER A 80 21.308 -34.235 19.349 1.00 0.00 C ATOM 1216 O SER A 80 22.037 -35.167 19.013 1.00 0.00 O ATOM 1217 CB SER A 80 20.260 -33.119 17.370 1.00 0.00 C ATOM 1218 OG SER A 80 20.998 -33.849 16.405 1.00 0.00 O ATOM 0 H SER A 80 19.043 -32.276 19.414 1.00 0.00 H new ATOM 0 HA SER A 80 19.565 -34.919 18.315 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.313 -32.795 16.939 1.00 0.00 H new ATOM 0 HB3 SER A 80 20.808 -32.219 17.647 1.00 0.00 H new ATOM 0 HG SER A 80 21.152 -33.287 15.617 1.00 0.00 H new ATOM 1224 N MET A 81 21.599 -33.412 20.351 1.00 0.00 N ATOM 1225 CA MET A 81 22.822 -33.563 21.131 1.00 0.00 C ATOM 1226 C MET A 81 22.756 -34.807 22.011 1.00 0.00 C ATOM 1227 O MET A 81 23.717 -35.571 22.095 1.00 0.00 O ATOM 1228 CB MET A 81 23.055 -32.323 21.997 1.00 0.00 C ATOM 1229 CG MET A 81 24.240 -31.483 21.549 1.00 0.00 C ATOM 1230 SD MET A 81 25.063 -30.654 22.922 1.00 0.00 S ATOM 1231 CE MET A 81 23.880 -29.363 23.298 1.00 0.00 C ATOM 0 H MET A 81 21.006 -32.635 20.642 1.00 0.00 H new ATOM 0 HA MET A 81 23.655 -33.675 20.437 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.157 -31.706 21.983 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.211 -32.635 23.030 1.00 0.00 H new ATOM 0 HG2 MET A 81 24.957 -32.120 21.032 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.901 -30.737 20.830 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.344 -28.389 23.144 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.014 -29.461 22.643 1.00 0.00 H new ATOM 0 HE3 MET A 81 23.561 -29.453 24.336 1.00 0.00 H new ATOM 1241 N ARG A 82 21.615 -35.004 22.665 1.00 0.00 N ATOM 1242 CA ARG A 82 21.425 -36.155 23.539 1.00 0.00 C ATOM 1243 C ARG A 82 21.474 -37.456 22.744 1.00 0.00 C ATOM 1244 O ARG A 82 22.055 -38.447 23.188 1.00 0.00 O ATOM 1245 CB ARG A 82 20.090 -36.046 24.277 1.00 0.00 C ATOM 1246 CG ARG A 82 18.892 -35.904 23.352 1.00 0.00 C ATOM 1247 CD ARG A 82 17.713 -35.258 24.063 1.00 0.00 C ATOM 1248 NE ARG A 82 17.304 -36.015 25.243 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.683 -37.188 25.185 1.00 0.00 C ATOM 1250 NH1 ARG A 82 16.402 -37.736 24.011 1.00 0.00 N ATOM 1251 NH2 ARG A 82 16.343 -37.816 26.304 1.00 0.00 N ATOM 0 H ARG A 82 20.809 -34.382 22.606 1.00 0.00 H new ATOM 0 HA ARG A 82 22.236 -36.164 24.267 1.00 0.00 H new ATOM 0 HB2 ARG A 82 19.955 -36.931 24.899 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.124 -35.187 24.948 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.169 -35.304 22.485 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.600 -36.886 22.979 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.979 -34.243 24.358 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.873 -35.179 23.373 1.00 0.00 H new ATOM 0 HE ARG A 82 17.506 -35.622 26.162 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.663 -37.257 23.149 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.925 -38.637 23.970 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.559 -37.398 27.209 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.866 -38.717 26.259 1.00 0.00 H new