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 -174:sc= -2.52 (180deg=-2.03) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.119 K(o=-2.8,f=-3.7) USER MOD Set 1.3: A 37 TYR OH : rot 179:sc= 1.31 USER MOD Set 1.4: A 70 HIS : no HD1:sc= -1.48 K(o=-2.8,f=-11!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.182 USER MOD Set 2.2: A 57 SER OG : rot 77:sc= 0.192 USER MOD Single : A 30 SER OG : rot -44:sc= 0.00185 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 160:sc= -0.693 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= -0.118 X(o=-0.12,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc=-0.00553 K(o=-0.0055,f=-1.2) USER MOD Single : A 55 MET CE :methyl -147:sc= -0.0564 (180deg=-0.399) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.2) 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= -0.8 K(o=-0.8,f=-2.3) USER MOD Single : A 77 SER OG : rot -79:sc= 0.334 USER MOD Single : A 79 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.035) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -122:sc= -3.55! (180deg=-6.18!) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 29.012 -24.815 27.365 1.00 0.00 N ATOM 331 CA VAL A 25 27.764 -24.203 26.925 1.00 0.00 C ATOM 332 C VAL A 25 28.023 -22.888 26.198 1.00 0.00 C ATOM 333 O VAL A 25 27.290 -22.520 25.280 1.00 0.00 O ATOM 334 CB VAL A 25 26.817 -23.943 28.112 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.537 -23.274 27.638 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.511 -25.241 28.844 1.00 0.00 C ATOM 0 HA VAL A 25 27.291 -24.907 26.240 1.00 0.00 H new ATOM 0 HB VAL A 25 27.314 -23.268 28.809 1.00 0.00 H new ATOM 0 HG11 VAL A 25 24.881 -23.099 28.491 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.778 -22.323 27.164 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.033 -23.920 26.919 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.841 -25.038 29.679 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.035 -25.942 28.158 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.438 -25.674 29.219 1.00 0.00 H new ATOM 346 N ASP A 26 29.070 -22.185 26.615 1.00 0.00 N ATOM 347 CA ASP A 26 29.428 -20.911 26.002 1.00 0.00 C ATOM 348 C ASP A 26 29.740 -21.089 24.519 1.00 0.00 C ATOM 349 O ASP A 26 29.441 -20.218 23.703 1.00 0.00 O ATOM 350 CB ASP A 26 30.631 -20.296 26.719 1.00 0.00 C ATOM 351 CG ASP A 26 30.493 -20.345 28.228 1.00 0.00 C ATOM 352 OD1 ASP A 26 29.379 -20.088 28.730 1.00 0.00 O ATOM 353 OD2 ASP A 26 31.499 -20.640 28.906 1.00 0.00 O ATOM 0 H ASP A 26 29.686 -22.475 27.375 1.00 0.00 H new ATOM 0 HA ASP A 26 28.575 -20.238 26.097 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.537 -20.825 26.423 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.749 -19.260 26.401 1.00 0.00 H new ATOM 358 N ASP A 27 30.344 -22.222 24.180 1.00 0.00 N ATOM 359 CA ASP A 27 30.697 -22.516 22.796 1.00 0.00 C ATOM 360 C ASP A 27 29.467 -22.939 21.999 1.00 0.00 C ATOM 361 O ASP A 27 29.194 -22.399 20.927 1.00 0.00 O ATOM 362 CB ASP A 27 31.759 -23.615 22.739 1.00 0.00 C ATOM 363 CG ASP A 27 32.753 -23.402 21.614 1.00 0.00 C ATOM 364 OD1 ASP A 27 32.477 -22.566 20.729 1.00 0.00 O ATOM 365 OD2 ASP A 27 33.806 -24.073 21.620 1.00 0.00 O ATOM 0 H ASP A 27 30.600 -22.952 24.845 1.00 0.00 H new ATOM 0 HA ASP A 27 31.102 -21.607 22.351 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.292 -23.651 23.689 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.271 -24.581 22.611 1.00 0.00 H new ATOM 370 N TRP A 28 28.729 -23.908 22.530 1.00 0.00 N ATOM 371 CA TRP A 28 27.529 -24.404 21.868 1.00 0.00 C ATOM 372 C TRP A 28 26.585 -23.258 21.520 1.00 0.00 C ATOM 373 O TRP A 28 26.207 -23.081 20.361 1.00 0.00 O ATOM 374 CB TRP A 28 26.812 -25.418 22.760 1.00 0.00 C ATOM 375 CG TRP A 28 25.400 -25.690 22.335 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.973 -26.043 21.087 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.231 -25.629 23.159 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.609 -26.205 21.085 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.130 -25.958 22.344 1.00 0.00 C ATOM 380 CE3 TRP A 28 24.006 -25.331 24.505 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.826 -25.994 22.833 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.712 -25.368 24.989 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.636 -25.698 24.155 1.00 0.00 C ATOM 0 H TRP A 28 28.941 -24.365 23.417 1.00 0.00 H new ATOM 0 HA TRP A 28 27.832 -24.894 20.943 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.371 -26.354 22.757 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.811 -25.051 23.786 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.614 -26.175 20.228 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.044 -26.467 20.277 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.829 -25.076 25.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 20.995 -26.247 22.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.527 -25.139 26.028 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.637 -25.719 24.564 1.00 0.00 H new ATOM 394 N LEU A 29 26.208 -22.481 22.530 1.00 0.00 N ATOM 395 CA LEU A 29 25.308 -21.350 22.330 1.00 0.00 C ATOM 396 C LEU A 29 25.858 -20.396 21.275 1.00 0.00 C ATOM 397 O LEU A 29 25.104 -19.823 20.488 1.00 0.00 O ATOM 398 CB LEU A 29 25.096 -20.603 23.648 1.00 0.00 C ATOM 399 CG LEU A 29 24.359 -21.373 24.745 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.126 -20.483 25.956 1.00 0.00 C ATOM 401 CD2 LEU A 29 23.040 -21.918 24.219 1.00 0.00 C ATOM 0 H LEU A 29 26.511 -22.613 23.495 1.00 0.00 H new ATOM 0 HA LEU A 29 24.351 -21.737 21.980 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.071 -20.304 24.034 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.542 -19.688 23.439 1.00 0.00 H new ATOM 0 HG LEU A 29 24.980 -22.215 25.052 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.601 -21.047 26.726 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.085 -20.142 26.346 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.526 -19.621 25.664 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.529 -22.463 25.013 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.413 -21.092 23.884 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.232 -22.590 23.383 1.00 0.00 H new ATOM 413 N SER A 30 27.177 -20.232 21.262 1.00 0.00 N ATOM 414 CA SER A 30 27.828 -19.347 20.304 1.00 0.00 C ATOM 415 C SER A 30 27.752 -19.923 18.893 1.00 0.00 C ATOM 416 O SER A 30 27.929 -19.207 17.908 1.00 0.00 O ATOM 417 CB SER A 30 29.289 -19.120 20.697 1.00 0.00 C ATOM 418 OG SER A 30 29.817 -17.971 20.058 1.00 0.00 O ATOM 0 H SER A 30 27.816 -20.701 21.904 1.00 0.00 H new ATOM 0 HA SER A 30 27.304 -18.391 20.316 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.364 -19.005 21.778 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.881 -19.994 20.427 1.00 0.00 H new ATOM 0 HG SER A 30 29.550 -17.970 19.115 1.00 0.00 H new ATOM 424 N ALA A 31 27.489 -21.223 18.805 1.00 0.00 N ATOM 425 CA ALA A 31 27.388 -21.896 17.516 1.00 0.00 C ATOM 426 C ALA A 31 25.962 -21.843 16.979 1.00 0.00 C ATOM 427 O ALA A 31 25.701 -22.242 15.844 1.00 0.00 O ATOM 428 CB ALA A 31 27.855 -23.339 17.637 1.00 0.00 C ATOM 0 H ALA A 31 27.342 -21.831 19.611 1.00 0.00 H new ATOM 0 HA ALA A 31 28.034 -21.374 16.810 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.774 -23.830 16.667 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.893 -23.359 17.969 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.232 -23.863 18.362 1.00 0.00 H new ATOM 434 N ILE A 32 25.043 -21.348 17.802 1.00 0.00 N ATOM 435 CA ILE A 32 23.644 -21.243 17.408 1.00 0.00 C ATOM 436 C ILE A 32 23.146 -19.806 17.525 1.00 0.00 C ATOM 437 O ILE A 32 21.947 -19.543 17.433 1.00 0.00 O ATOM 438 CB ILE A 32 22.747 -22.156 18.266 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.079 -21.984 19.750 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.914 -23.608 17.846 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.231 -22.842 20.662 1.00 0.00 C ATOM 0 H ILE A 32 25.242 -21.014 18.745 1.00 0.00 H new ATOM 0 HA ILE A 32 23.585 -21.562 16.368 1.00 0.00 H new ATOM 0 HB ILE A 32 21.707 -21.870 18.110 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.130 -22.227 19.909 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.948 -20.937 20.024 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.274 -24.241 18.461 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.634 -23.718 16.798 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.954 -23.907 17.977 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.521 -22.669 21.698 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.180 -22.584 20.531 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.380 -23.893 20.415 1.00 0.00 H new ATOM 453 N LYS A 33 24.076 -18.879 17.726 1.00 0.00 N ATOM 454 CA LYS A 33 23.735 -17.467 17.852 1.00 0.00 C ATOM 455 C LYS A 33 22.945 -17.210 19.132 1.00 0.00 C ATOM 456 O LYS A 33 22.371 -16.137 19.313 1.00 0.00 O ATOM 457 CB LYS A 33 22.923 -17.007 16.639 1.00 0.00 C ATOM 458 CG LYS A 33 23.466 -17.516 15.315 1.00 0.00 C ATOM 459 CD LYS A 33 23.566 -16.402 14.288 1.00 0.00 C ATOM 460 CE LYS A 33 23.287 -16.913 12.882 1.00 0.00 C ATOM 461 NZ LYS A 33 22.946 -15.806 11.947 1.00 0.00 N ATOM 0 H LYS A 33 25.073 -19.080 17.805 1.00 0.00 H new ATOM 0 HA LYS A 33 24.663 -16.898 17.898 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.893 -17.344 16.753 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.902 -15.917 16.619 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.450 -17.958 15.470 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.818 -18.306 14.935 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.857 -15.612 14.536 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.562 -15.960 14.325 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.161 -17.447 12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.466 -17.629 12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.763 -16.195 11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.097 -15.312 12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.740 -15.136 11.898 1.00 0.00 H new ATOM 475 N MET A 34 22.923 -18.202 20.017 1.00 0.00 N ATOM 476 CA MET A 34 22.206 -18.081 21.281 1.00 0.00 C ATOM 477 C MET A 34 23.177 -17.865 22.438 1.00 0.00 C ATOM 478 O MET A 34 22.853 -18.142 23.593 1.00 0.00 O ATOM 479 CB MET A 34 21.363 -19.331 21.535 1.00 0.00 C ATOM 480 CG MET A 34 20.537 -19.762 20.334 1.00 0.00 C ATOM 481 SD MET A 34 19.446 -18.456 19.737 1.00 0.00 S ATOM 482 CE MET A 34 18.544 -18.059 21.232 1.00 0.00 C ATOM 0 H MET A 34 23.393 -19.097 19.882 1.00 0.00 H new ATOM 0 HA MET A 34 21.548 -17.215 21.215 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.021 -20.150 21.826 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.696 -19.144 22.376 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.205 -20.068 19.529 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.941 -20.634 20.602 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.756 -17.342 21.002 1.00 0.00 H new ATOM 0 HE2 MET A 34 18.100 -18.967 21.641 1.00 0.00 H new ATOM 0 HE3 MET A 34 19.226 -17.626 21.964 1.00 0.00 H new ATOM 492 N VAL A 35 24.369 -17.368 22.120 1.00 0.00 N ATOM 493 CA VAL A 35 25.386 -17.114 23.133 1.00 0.00 C ATOM 494 C VAL A 35 24.871 -16.155 24.200 1.00 0.00 C ATOM 495 O VAL A 35 25.380 -16.127 25.321 1.00 0.00 O ATOM 496 CB VAL A 35 26.667 -16.531 22.508 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.596 -15.012 22.465 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.894 -16.993 23.279 1.00 0.00 C ATOM 0 H VAL A 35 24.653 -17.134 21.169 1.00 0.00 H new ATOM 0 HA VAL A 35 25.620 -18.073 23.594 1.00 0.00 H new ATOM 0 HB VAL A 35 26.750 -16.897 21.485 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.510 -14.617 22.020 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.739 -14.705 21.866 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.489 -14.624 23.478 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.790 -16.571 22.823 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.821 -16.658 24.314 1.00 0.00 H new ATOM 0 HG23 VAL A 35 27.951 -18.081 23.253 1.00 0.00 H new ATOM 508 N GLN A 36 23.860 -15.370 23.844 1.00 0.00 N ATOM 509 CA GLN A 36 23.276 -14.408 24.772 1.00 0.00 C ATOM 510 C GLN A 36 22.820 -15.097 26.054 1.00 0.00 C ATOM 511 O GLN A 36 22.741 -14.472 27.112 1.00 0.00 O ATOM 512 CB GLN A 36 22.096 -13.688 24.118 1.00 0.00 C ATOM 513 CG GLN A 36 20.954 -14.615 23.735 1.00 0.00 C ATOM 514 CD GLN A 36 20.651 -14.584 22.250 1.00 0.00 C ATOM 515 OE1 GLN A 36 21.545 -14.387 21.426 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.385 -14.779 21.899 1.00 0.00 N ATOM 0 H GLN A 36 23.428 -15.381 22.920 1.00 0.00 H new ATOM 0 HA GLN A 36 24.042 -13.676 25.027 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.721 -12.927 24.802 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.447 -13.169 23.226 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.204 -15.634 24.030 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.060 -14.333 24.291 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.676 -14.939 22.615 1.00 0.00 H new ATOM 0 HE22 GLN A 36 19.122 -14.769 20.914 1.00 0.00 H new ATOM 525 N TYR A 37 22.521 -16.387 25.952 1.00 0.00 N ATOM 526 CA TYR A 37 22.069 -17.160 27.103 1.00 0.00 C ATOM 527 C TYR A 37 23.212 -17.984 27.688 1.00 0.00 C ATOM 528 O TYR A 37 22.989 -19.035 28.290 1.00 0.00 O ATOM 529 CB TYR A 37 20.914 -18.079 26.705 1.00 0.00 C ATOM 530 CG TYR A 37 19.695 -17.338 26.203 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.070 -16.378 26.989 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.168 -17.599 24.945 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.956 -15.698 26.536 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.055 -16.923 24.482 1.00 0.00 C ATOM 535 CZ TYR A 37 17.453 -15.974 25.281 1.00 0.00 C ATOM 536 OH TYR A 37 16.343 -15.300 24.825 1.00 0.00 O ATOM 0 H TYR A 37 22.583 -16.920 25.084 1.00 0.00 H new ATOM 0 HA TYR A 37 21.722 -16.461 27.864 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.257 -18.764 25.930 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.631 -18.686 27.565 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.462 -16.159 27.971 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.636 -18.343 24.318 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.482 -14.955 27.160 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.659 -17.137 23.500 1.00 0.00 H new ATOM 0 HH TYR A 37 16.128 -15.600 23.917 1.00 0.00 H new ATOM 546 N ARG A 38 24.436 -17.499 27.507 1.00 0.00 N ATOM 547 CA ARG A 38 25.614 -18.190 28.015 1.00 0.00 C ATOM 548 C ARG A 38 25.696 -18.080 29.535 1.00 0.00 C ATOM 549 O ARG A 38 26.286 -18.933 30.198 1.00 0.00 O ATOM 550 CB ARG A 38 26.882 -17.614 27.382 1.00 0.00 C ATOM 551 CG ARG A 38 27.161 -16.174 27.780 1.00 0.00 C ATOM 552 CD ARG A 38 28.593 -15.774 27.460 1.00 0.00 C ATOM 553 NE ARG A 38 28.709 -15.163 26.139 1.00 0.00 N ATOM 554 CZ ARG A 38 28.423 -13.890 25.891 1.00 0.00 C ATOM 555 NH1 ARG A 38 28.008 -13.097 26.869 1.00 0.00 N ATOM 556 NH2 ARG A 38 28.553 -13.406 24.662 1.00 0.00 N ATOM 0 H ARG A 38 24.637 -16.630 27.012 1.00 0.00 H new ATOM 0 HA ARG A 38 25.529 -19.243 27.748 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.733 -18.232 27.667 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.795 -17.672 26.297 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.472 -15.511 27.257 1.00 0.00 H new ATOM 0 HG3 ARG A 38 26.977 -16.048 28.847 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.951 -15.075 28.215 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.235 -16.654 27.510 1.00 0.00 H new ATOM 0 HE ARG A 38 29.027 -15.746 25.364 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.908 -13.464 27.815 1.00 0.00 H new ATOM 0 HH12 ARG A 38 27.789 -12.120 26.675 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.873 -14.012 23.906 1.00 0.00 H new ATOM 0 HH22 ARG A 38 28.333 -12.428 24.473 1.00 0.00 H new ATOM 570 N ASP A 39 25.101 -17.024 30.079 1.00 0.00 N ATOM 571 CA ASP A 39 25.106 -16.802 31.520 1.00 0.00 C ATOM 572 C ASP A 39 23.896 -17.460 32.175 1.00 0.00 C ATOM 573 O ASP A 39 23.949 -17.860 33.338 1.00 0.00 O ATOM 574 CB ASP A 39 25.116 -15.303 31.827 1.00 0.00 C ATOM 575 CG ASP A 39 26.514 -14.771 32.070 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.054 -15.002 33.172 1.00 0.00 O ATOM 577 OD2 ASP A 39 27.070 -14.124 31.158 1.00 0.00 O ATOM 0 H ASP A 39 24.609 -16.308 29.544 1.00 0.00 H new ATOM 0 HA ASP A 39 26.009 -17.255 31.929 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.664 -14.762 30.996 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.500 -15.111 32.705 1.00 0.00 H new ATOM 582 N SER A 40 22.807 -17.568 31.422 1.00 0.00 N ATOM 583 CA SER A 40 21.582 -18.173 31.931 1.00 0.00 C ATOM 584 C SER A 40 21.825 -19.618 32.355 1.00 0.00 C ATOM 585 O SER A 40 21.353 -20.057 33.404 1.00 0.00 O ATOM 586 CB SER A 40 20.482 -18.119 30.869 1.00 0.00 C ATOM 587 OG SER A 40 19.198 -18.072 31.466 1.00 0.00 O ATOM 0 H SER A 40 22.748 -17.244 30.457 1.00 0.00 H new ATOM 0 HA SER A 40 21.262 -17.606 32.805 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.625 -17.242 30.237 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.554 -18.993 30.222 1.00 0.00 H new ATOM 0 HG SER A 40 18.549 -17.722 30.820 1.00 0.00 H new ATOM 593 N PHE A 41 22.565 -20.353 31.531 1.00 0.00 N ATOM 594 CA PHE A 41 22.871 -21.749 31.818 1.00 0.00 C ATOM 595 C PHE A 41 23.987 -21.859 32.853 1.00 0.00 C ATOM 596 O PHE A 41 23.914 -22.668 33.779 1.00 0.00 O ATOM 597 CB PHE A 41 23.275 -22.479 30.536 1.00 0.00 C ATOM 598 CG PHE A 41 22.125 -22.734 29.604 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.147 -23.661 29.926 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.022 -22.046 28.405 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.089 -23.898 29.069 1.00 0.00 C ATOM 602 CE2 PHE A 41 20.966 -22.278 27.545 1.00 0.00 C ATOM 603 CZ PHE A 41 19.997 -23.204 27.878 1.00 0.00 C ATOM 0 H PHE A 41 22.964 -20.005 30.659 1.00 0.00 H new ATOM 0 HA PHE A 41 21.974 -22.215 32.225 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.031 -21.891 30.015 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.737 -23.431 30.799 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.212 -24.204 30.857 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.776 -21.320 28.140 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.335 -24.625 29.330 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.898 -21.736 26.613 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.169 -23.385 27.209 1.00 0.00 H new ATOM 613 N LEU A 42 25.021 -21.041 32.688 1.00 0.00 N ATOM 614 CA LEU A 42 26.154 -21.046 33.607 1.00 0.00 C ATOM 615 C LEU A 42 25.684 -20.906 35.052 1.00 0.00 C ATOM 616 O LEU A 42 25.887 -21.802 35.872 1.00 0.00 O ATOM 617 CB LEU A 42 27.120 -19.911 33.261 1.00 0.00 C ATOM 618 CG LEU A 42 28.146 -20.214 32.169 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.787 -18.929 31.667 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.208 -21.175 32.685 1.00 0.00 C ATOM 0 H LEU A 42 25.098 -20.366 31.927 1.00 0.00 H new ATOM 0 HA LEU A 42 26.671 -22.000 33.503 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.535 -19.044 32.952 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.656 -19.628 34.167 1.00 0.00 H new ATOM 0 HG LEU A 42 27.630 -20.689 31.335 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.514 -19.165 30.890 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.018 -18.275 31.257 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.289 -18.426 32.493 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.929 -21.379 31.894 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.720 -20.728 33.537 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.736 -22.107 32.994 1.00 0.00 H new ATOM 632 N THR A 43 25.053 -19.777 35.357 1.00 0.00 N ATOM 633 CA THR A 43 24.554 -19.520 36.702 1.00 0.00 C ATOM 634 C THR A 43 23.568 -20.598 37.137 1.00 0.00 C ATOM 635 O THR A 43 23.489 -20.941 38.316 1.00 0.00 O ATOM 636 CB THR A 43 23.867 -18.144 36.793 1.00 0.00 C ATOM 637 OG1 THR A 43 23.502 -17.868 38.150 1.00 0.00 O ATOM 638 CG2 THR A 43 22.629 -18.099 35.910 1.00 0.00 C ATOM 0 H THR A 43 24.875 -19.026 34.691 1.00 0.00 H new ATOM 0 HA THR A 43 25.417 -19.531 37.367 1.00 0.00 H new ATOM 0 HB THR A 43 24.570 -17.387 36.445 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.067 -16.991 38.200 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.160 -17.118 35.990 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.914 -18.281 34.874 1.00 0.00 H new ATOM 0 HG23 THR A 43 21.924 -18.865 36.232 1.00 0.00 H new ATOM 646 N ALA A 44 22.817 -21.129 36.178 1.00 0.00 N ATOM 647 CA ALA A 44 21.838 -22.170 36.462 1.00 0.00 C ATOM 648 C ALA A 44 22.518 -23.443 36.956 1.00 0.00 C ATOM 649 O ALA A 44 21.892 -24.282 37.603 1.00 0.00 O ATOM 650 CB ALA A 44 21.003 -22.462 35.224 1.00 0.00 C ATOM 0 H ALA A 44 22.868 -20.855 35.197 1.00 0.00 H new ATOM 0 HA ALA A 44 21.181 -21.810 37.253 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.276 -23.242 35.451 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.480 -21.557 34.916 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.654 -22.797 34.417 1.00 0.00 H new ATOM 656 N GLY A 45 23.803 -23.581 36.645 1.00 0.00 N ATOM 657 CA GLY A 45 24.546 -24.755 37.065 1.00 0.00 C ATOM 658 C GLY A 45 24.860 -25.685 35.910 1.00 0.00 C ATOM 659 O GLY A 45 25.204 -26.849 36.118 1.00 0.00 O ATOM 0 H GLY A 45 24.343 -22.901 36.110 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.476 -24.442 37.539 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.971 -25.295 37.817 1.00 0.00 H new ATOM 663 N PHE A 46 24.741 -25.173 34.690 1.00 0.00 N ATOM 664 CA PHE A 46 25.012 -25.967 33.498 1.00 0.00 C ATOM 665 C PHE A 46 26.246 -25.446 32.766 1.00 0.00 C ATOM 666 O PHE A 46 26.136 -24.727 31.772 1.00 0.00 O ATOM 667 CB PHE A 46 23.804 -25.948 32.560 1.00 0.00 C ATOM 668 CG PHE A 46 22.499 -26.204 33.259 1.00 0.00 C ATOM 669 CD1 PHE A 46 22.206 -27.458 33.769 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.566 -25.190 33.405 1.00 0.00 C ATOM 671 CE1 PHE A 46 21.006 -27.697 34.412 1.00 0.00 C ATOM 672 CE2 PHE A 46 20.364 -25.423 34.047 1.00 0.00 C ATOM 673 CZ PHE A 46 20.084 -26.678 34.552 1.00 0.00 C ATOM 0 H PHE A 46 24.459 -24.211 34.501 1.00 0.00 H new ATOM 0 HA PHE A 46 25.203 -26.993 33.812 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.756 -24.980 32.061 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.945 -26.700 31.784 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.923 -28.258 33.663 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.780 -24.207 33.013 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.789 -28.680 34.805 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.645 -24.625 34.154 1.00 0.00 H new ATOM 0 HZ PHE A 46 19.146 -26.862 35.055 1.00 0.00 H new ATOM 683 N THR A 47 27.422 -25.813 33.266 1.00 0.00 N ATOM 684 CA THR A 47 28.677 -25.382 32.662 1.00 0.00 C ATOM 685 C THR A 47 29.106 -26.331 31.550 1.00 0.00 C ATOM 686 O THR A 47 29.834 -25.943 30.636 1.00 0.00 O ATOM 687 CB THR A 47 29.803 -25.294 33.710 1.00 0.00 C ATOM 688 OG1 THR A 47 30.126 -26.602 34.193 1.00 0.00 O ATOM 689 CG2 THR A 47 29.391 -24.405 34.874 1.00 0.00 C ATOM 0 H THR A 47 27.532 -26.408 34.088 1.00 0.00 H new ATOM 0 HA THR A 47 28.503 -24.391 32.243 1.00 0.00 H new ATOM 0 HB THR A 47 30.680 -24.857 33.233 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.844 -26.537 34.857 1.00 0.00 H new ATOM 0 HG21 THR A 47 30.202 -24.358 35.601 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.175 -23.402 34.507 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.501 -24.817 35.349 1.00 0.00 H new ATOM 697 N SER A 48 28.652 -27.577 31.633 1.00 0.00 N ATOM 698 CA SER A 48 28.992 -28.583 30.634 1.00 0.00 C ATOM 699 C SER A 48 27.744 -29.060 29.896 1.00 0.00 C ATOM 700 O SER A 48 26.703 -29.305 30.508 1.00 0.00 O ATOM 701 CB SER A 48 29.693 -29.772 31.294 1.00 0.00 C ATOM 702 OG SER A 48 31.053 -29.476 31.563 1.00 0.00 O ATOM 0 H SER A 48 28.047 -27.914 32.382 1.00 0.00 H new ATOM 0 HA SER A 48 29.669 -28.127 29.911 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.183 -30.030 32.222 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.629 -30.644 30.643 1.00 0.00 H new ATOM 0 HG SER A 48 31.479 -30.251 31.986 1.00 0.00 H new ATOM 708 N LEU A 49 27.857 -29.190 28.579 1.00 0.00 N ATOM 709 CA LEU A 49 26.738 -29.638 27.756 1.00 0.00 C ATOM 710 C LEU A 49 26.204 -30.980 28.247 1.00 0.00 C ATOM 711 O LEU A 49 25.032 -31.301 28.052 1.00 0.00 O ATOM 712 CB LEU A 49 27.170 -29.753 26.293 1.00 0.00 C ATOM 713 CG LEU A 49 27.200 -28.447 25.498 1.00 0.00 C ATOM 714 CD1 LEU A 49 25.825 -27.796 25.489 1.00 0.00 C ATOM 715 CD2 LEU A 49 28.239 -27.496 26.074 1.00 0.00 C ATOM 0 H LEU A 49 28.711 -28.992 28.058 1.00 0.00 H new ATOM 0 HA LEU A 49 25.941 -28.899 27.837 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.165 -30.197 26.263 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.496 -30.446 25.789 1.00 0.00 H new ATOM 0 HG LEU A 49 27.477 -28.676 24.469 1.00 0.00 H new ATOM 0 HD11 LEU A 49 25.866 -26.868 24.919 1.00 0.00 H new ATOM 0 HD12 LEU A 49 25.105 -28.473 25.030 1.00 0.00 H new ATOM 0 HD13 LEU A 49 25.518 -27.580 26.512 1.00 0.00 H new ATOM 0 HD21 LEU A 49 28.247 -26.572 25.496 1.00 0.00 H new ATOM 0 HD22 LEU A 49 27.992 -27.273 27.112 1.00 0.00 H new ATOM 0 HD23 LEU A 49 29.224 -27.961 26.027 1.00 0.00 H new ATOM 727 N GLN A 50 27.071 -31.758 28.887 1.00 0.00 N ATOM 728 CA GLN A 50 26.685 -33.064 29.407 1.00 0.00 C ATOM 729 C GLN A 50 25.467 -32.950 30.317 1.00 0.00 C ATOM 730 O GLN A 50 24.688 -33.895 30.452 1.00 0.00 O ATOM 731 CB GLN A 50 27.850 -33.697 30.171 1.00 0.00 C ATOM 732 CG GLN A 50 27.494 -35.015 30.841 1.00 0.00 C ATOM 733 CD GLN A 50 28.669 -35.634 31.571 1.00 0.00 C ATOM 734 OE1 GLN A 50 29.008 -36.798 31.350 1.00 0.00 O ATOM 735 NE2 GLN A 50 29.299 -34.859 32.446 1.00 0.00 N ATOM 0 H GLN A 50 28.045 -31.507 29.058 1.00 0.00 H new ATOM 0 HA GLN A 50 26.425 -33.701 28.561 1.00 0.00 H new ATOM 0 HB2 GLN A 50 28.679 -33.861 29.482 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.200 -32.996 30.929 1.00 0.00 H new ATOM 0 HG2 GLN A 50 26.679 -34.851 31.546 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.130 -35.714 30.088 1.00 0.00 H new ATOM 0 HE21 GLN A 50 28.984 -33.901 32.598 1.00 0.00 H new ATOM 0 HE22 GLN A 50 30.098 -35.222 32.966 1.00 0.00 H new ATOM 744 N LEU A 51 25.308 -31.787 30.940 1.00 0.00 N ATOM 745 CA LEU A 51 24.184 -31.549 31.839 1.00 0.00 C ATOM 746 C LEU A 51 23.006 -30.936 31.087 1.00 0.00 C ATOM 747 O LEU A 51 21.853 -31.086 31.490 1.00 0.00 O ATOM 748 CB LEU A 51 24.607 -30.628 32.984 1.00 0.00 C ATOM 749 CG LEU A 51 25.685 -31.174 33.921 1.00 0.00 C ATOM 750 CD1 LEU A 51 25.988 -30.175 35.027 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.253 -32.509 34.510 1.00 0.00 C ATOM 0 H LEU A 51 25.943 -30.995 30.839 1.00 0.00 H new ATOM 0 HA LEU A 51 23.870 -32.508 32.250 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.966 -29.691 32.557 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.724 -30.390 33.578 1.00 0.00 H new ATOM 0 HG LEU A 51 26.595 -31.332 33.343 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.757 -30.581 35.684 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.341 -29.242 34.588 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.083 -29.985 35.603 1.00 0.00 H new ATOM 0 HD21 LEU A 51 26.032 -32.883 35.174 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.329 -32.376 35.073 1.00 0.00 H new ATOM 0 HD23 LEU A 51 25.088 -33.225 33.705 1.00 0.00 H new ATOM 763 N VAL A 52 23.305 -30.245 29.991 1.00 0.00 N ATOM 764 CA VAL A 52 22.272 -29.612 29.181 1.00 0.00 C ATOM 765 C VAL A 52 21.582 -30.629 28.278 1.00 0.00 C ATOM 766 O VAL A 52 20.416 -30.465 27.917 1.00 0.00 O ATOM 767 CB VAL A 52 22.854 -28.482 28.311 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.767 -27.856 27.451 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.527 -27.433 29.183 1.00 0.00 C ATOM 0 H VAL A 52 24.255 -30.110 29.644 1.00 0.00 H new ATOM 0 HA VAL A 52 21.543 -29.189 29.872 1.00 0.00 H new ATOM 0 HB VAL A 52 23.607 -28.908 27.648 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.197 -27.060 26.843 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.335 -28.616 26.800 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.989 -27.443 28.092 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.933 -26.642 28.553 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.796 -27.009 29.872 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.335 -27.895 29.750 1.00 0.00 H new ATOM 779 N THR A 53 22.309 -31.681 27.917 1.00 0.00 N ATOM 780 CA THR A 53 21.768 -32.725 27.055 1.00 0.00 C ATOM 781 C THR A 53 20.586 -33.425 27.716 1.00 0.00 C ATOM 782 O THR A 53 19.725 -33.983 27.036 1.00 0.00 O ATOM 783 CB THR A 53 22.839 -33.774 26.703 1.00 0.00 C ATOM 784 OG1 THR A 53 23.448 -34.273 27.899 1.00 0.00 O ATOM 785 CG2 THR A 53 23.905 -33.176 25.797 1.00 0.00 C ATOM 0 H THR A 53 23.275 -31.833 28.208 1.00 0.00 H new ATOM 0 HA THR A 53 21.433 -32.237 26.140 1.00 0.00 H new ATOM 0 HB THR A 53 22.353 -34.594 26.174 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.127 -34.940 27.666 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.651 -33.936 25.562 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.443 -32.823 24.875 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.386 -32.340 26.304 1.00 0.00 H new ATOM 793 N GLN A 54 20.550 -33.389 29.044 1.00 0.00 N ATOM 794 CA GLN A 54 19.472 -34.021 29.796 1.00 0.00 C ATOM 795 C GLN A 54 18.459 -32.984 30.270 1.00 0.00 C ATOM 796 O GLN A 54 17.771 -33.187 31.270 1.00 0.00 O ATOM 797 CB GLN A 54 20.038 -34.784 30.995 1.00 0.00 C ATOM 798 CG GLN A 54 21.244 -35.644 30.655 1.00 0.00 C ATOM 799 CD GLN A 54 21.636 -36.574 31.787 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.798 -36.972 32.596 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.915 -36.926 31.849 1.00 0.00 N ATOM 0 H GLN A 54 21.254 -32.929 29.621 1.00 0.00 H new ATOM 0 HA GLN A 54 18.964 -34.723 29.135 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.318 -34.070 31.770 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.256 -35.418 31.413 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.026 -36.234 29.765 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.088 -34.999 30.411 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.575 -36.572 31.157 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.237 -37.550 32.589 1.00 0.00 H new ATOM 810 N MET A 55 18.373 -31.874 29.546 1.00 0.00 N ATOM 811 CA MET A 55 17.443 -30.805 29.892 1.00 0.00 C ATOM 812 C MET A 55 16.239 -30.808 28.956 1.00 0.00 C ATOM 813 O MET A 55 16.108 -31.682 28.098 1.00 0.00 O ATOM 814 CB MET A 55 18.147 -29.448 29.833 1.00 0.00 C ATOM 815 CG MET A 55 19.177 -29.249 30.934 1.00 0.00 C ATOM 816 SD MET A 55 18.431 -29.139 32.571 1.00 0.00 S ATOM 817 CE MET A 55 18.984 -30.679 33.300 1.00 0.00 C ATOM 0 H MET A 55 18.936 -31.691 28.715 1.00 0.00 H new ATOM 0 HA MET A 55 17.091 -30.979 30.909 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.637 -29.344 28.865 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.400 -28.657 29.898 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.886 -30.077 30.917 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.744 -28.340 30.736 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.223 -31.051 33.985 1.00 0.00 H new ATOM 0 HE2 MET A 55 19.154 -31.414 32.513 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.912 -30.510 33.846 1.00 0.00 H new ATOM 827 N THR A 56 15.361 -29.824 29.125 1.00 0.00 N ATOM 828 CA THR A 56 14.167 -29.714 28.296 1.00 0.00 C ATOM 829 C THR A 56 13.715 -28.264 28.173 1.00 0.00 C ATOM 830 O THR A 56 14.267 -27.374 28.821 1.00 0.00 O ATOM 831 CB THR A 56 13.008 -30.554 28.866 1.00 0.00 C ATOM 832 OG1 THR A 56 11.929 -30.601 27.926 1.00 0.00 O ATOM 833 CG2 THR A 56 12.516 -29.974 30.183 1.00 0.00 C ATOM 0 H THR A 56 15.455 -29.092 29.829 1.00 0.00 H new ATOM 0 HA THR A 56 14.431 -30.095 27.309 1.00 0.00 H new ATOM 0 HB THR A 56 13.375 -31.564 29.047 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.197 -31.138 28.295 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.698 -30.584 30.566 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.332 -29.967 30.905 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.165 -28.955 30.023 1.00 0.00 H new ATOM 841 N SER A 57 12.708 -28.032 27.337 1.00 0.00 N ATOM 842 CA SER A 57 12.184 -26.687 27.127 1.00 0.00 C ATOM 843 C SER A 57 11.842 -26.023 28.457 1.00 0.00 C ATOM 844 O SER A 57 11.919 -24.802 28.590 1.00 0.00 O ATOM 845 CB SER A 57 10.942 -26.735 26.234 1.00 0.00 C ATOM 846 OG SER A 57 10.753 -28.031 25.693 1.00 0.00 O ATOM 0 H SER A 57 12.239 -28.757 26.794 1.00 0.00 H new ATOM 0 HA SER A 57 12.956 -26.096 26.634 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.064 -26.447 26.812 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.043 -26.011 25.425 1.00 0.00 H new ATOM 0 HG SER A 57 10.378 -28.621 26.380 1.00 0.00 H new ATOM 852 N GLU A 58 11.465 -26.836 29.438 1.00 0.00 N ATOM 853 CA GLU A 58 11.111 -26.327 30.758 1.00 0.00 C ATOM 854 C GLU A 58 12.315 -25.674 31.430 1.00 0.00 C ATOM 855 O GLU A 58 12.205 -24.595 32.013 1.00 0.00 O ATOM 856 CB GLU A 58 10.573 -27.458 31.638 1.00 0.00 C ATOM 857 CG GLU A 58 9.315 -28.110 31.089 1.00 0.00 C ATOM 858 CD GLU A 58 8.502 -28.804 32.164 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.199 -28.157 33.189 1.00 0.00 O ATOM 860 OE2 GLU A 58 8.168 -29.993 31.981 1.00 0.00 O ATOM 0 H GLU A 58 11.397 -27.849 29.344 1.00 0.00 H new ATOM 0 HA GLU A 58 10.334 -25.573 30.632 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.346 -28.218 31.751 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.364 -27.065 32.633 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.699 -27.352 30.605 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.590 -28.834 30.322 1.00 0.00 H new ATOM 867 N ASP A 59 13.464 -26.336 31.345 1.00 0.00 N ATOM 868 CA ASP A 59 14.690 -25.821 31.945 1.00 0.00 C ATOM 869 C ASP A 59 15.029 -24.442 31.388 1.00 0.00 C ATOM 870 O ASP A 59 15.514 -23.571 32.111 1.00 0.00 O ATOM 871 CB ASP A 59 15.850 -26.786 31.694 1.00 0.00 C ATOM 872 CG ASP A 59 17.201 -26.133 31.906 1.00 0.00 C ATOM 873 OD1 ASP A 59 17.402 -25.518 32.975 1.00 0.00 O ATOM 874 OD2 ASP A 59 18.059 -26.238 31.005 1.00 0.00 O ATOM 0 H ASP A 59 13.572 -27.230 30.867 1.00 0.00 H new ATOM 0 HA ASP A 59 14.530 -25.730 33.019 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.756 -27.644 32.360 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.789 -27.166 30.674 1.00 0.00 H new ATOM 879 N LEU A 60 14.771 -24.251 30.099 1.00 0.00 N ATOM 880 CA LEU A 60 15.050 -22.977 29.444 1.00 0.00 C ATOM 881 C LEU A 60 14.236 -21.852 30.073 1.00 0.00 C ATOM 882 O LEU A 60 14.744 -20.752 30.295 1.00 0.00 O ATOM 883 CB LEU A 60 14.740 -23.072 27.949 1.00 0.00 C ATOM 884 CG LEU A 60 15.207 -24.347 27.246 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.907 -24.277 25.757 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.694 -24.572 27.482 1.00 0.00 C ATOM 0 H LEU A 60 14.369 -24.961 29.487 1.00 0.00 H new ATOM 0 HA LEU A 60 16.108 -22.752 29.576 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.662 -22.982 27.816 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.196 -22.218 27.449 1.00 0.00 H new ATOM 0 HG LEU A 60 14.660 -25.191 27.666 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.247 -25.193 25.274 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.833 -24.164 25.607 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.426 -23.423 25.321 1.00 0.00 H new ATOM 0 HD21 LEU A 60 17.009 -25.484 26.974 1.00 0.00 H new ATOM 0 HD22 LEU A 60 17.257 -23.725 27.089 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.882 -24.668 28.551 1.00 0.00 H new ATOM 898 N LEU A 61 12.970 -22.133 30.360 1.00 0.00 N ATOM 899 CA LEU A 61 12.084 -21.145 30.967 1.00 0.00 C ATOM 900 C LEU A 61 12.423 -20.943 32.440 1.00 0.00 C ATOM 901 O LEU A 61 12.054 -19.933 33.039 1.00 0.00 O ATOM 902 CB LEU A 61 10.625 -21.581 30.822 1.00 0.00 C ATOM 903 CG LEU A 61 9.966 -21.283 29.475 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.741 -22.569 28.695 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.653 -20.542 29.676 1.00 0.00 C ATOM 0 H LEU A 61 12.533 -23.037 30.182 1.00 0.00 H new ATOM 0 HA LEU A 61 12.226 -20.198 30.447 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.568 -22.655 31.002 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.042 -21.095 31.604 1.00 0.00 H new ATOM 0 HG LEU A 61 10.635 -20.645 28.898 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.271 -22.337 27.739 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.698 -23.060 28.519 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.092 -23.233 29.267 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.198 -20.338 28.707 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.977 -21.155 30.272 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.842 -19.601 30.193 1.00 0.00 H new ATOM 917 N ARG A 62 13.129 -21.909 33.018 1.00 0.00 N ATOM 918 CA ARG A 62 13.518 -21.837 34.421 1.00 0.00 C ATOM 919 C ARG A 62 14.657 -20.841 34.619 1.00 0.00 C ATOM 920 O ARG A 62 14.655 -20.062 35.572 1.00 0.00 O ATOM 921 CB ARG A 62 13.939 -23.217 34.928 1.00 0.00 C ATOM 922 CG ARG A 62 12.807 -24.231 34.947 1.00 0.00 C ATOM 923 CD ARG A 62 12.635 -24.849 36.326 1.00 0.00 C ATOM 924 NE ARG A 62 13.496 -26.013 36.515 1.00 0.00 N ATOM 925 CZ ARG A 62 13.309 -26.917 37.470 1.00 0.00 C ATOM 926 NH1 ARG A 62 12.298 -26.792 38.319 1.00 0.00 N ATOM 927 NH2 ARG A 62 14.135 -27.950 37.578 1.00 0.00 N ATOM 0 H ARG A 62 13.443 -22.751 32.536 1.00 0.00 H new ATOM 0 HA ARG A 62 12.656 -21.495 34.994 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.744 -23.596 34.298 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.343 -23.117 35.936 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.878 -23.747 34.646 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.008 -25.016 34.218 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.861 -24.103 37.088 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.594 -25.142 36.465 1.00 0.00 H new ATOM 0 HE ARG A 62 14.284 -26.139 35.879 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.661 -26.000 38.240 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.158 -27.488 39.051 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.914 -28.050 36.927 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.991 -28.644 38.312 1.00 0.00 H new ATOM 941 N ILE A 63 15.628 -20.874 33.713 1.00 0.00 N ATOM 942 CA ILE A 63 16.773 -19.974 33.788 1.00 0.00 C ATOM 943 C ILE A 63 16.402 -18.572 33.317 1.00 0.00 C ATOM 944 O ILE A 63 16.966 -17.581 33.778 1.00 0.00 O ATOM 945 CB ILE A 63 17.952 -20.492 32.943 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.566 -20.536 31.463 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.385 -21.868 33.425 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.687 -21.001 30.560 1.00 0.00 C ATOM 0 H ILE A 63 15.645 -21.514 32.919 1.00 0.00 H new ATOM 0 HA ILE A 63 17.076 -19.935 34.834 1.00 0.00 H new ATOM 0 HB ILE A 63 18.792 -19.808 33.060 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.711 -21.200 31.338 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.246 -19.542 31.149 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.219 -22.220 32.818 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.696 -21.807 34.468 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.551 -22.564 33.335 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.342 -21.008 29.526 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.536 -20.324 30.655 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.992 -22.007 30.847 1.00 0.00 H new ATOM 960 N GLY A 64 15.446 -18.496 32.395 1.00 0.00 N ATOM 961 CA GLY A 64 15.014 -17.211 31.878 1.00 0.00 C ATOM 962 C GLY A 64 14.552 -17.291 30.437 1.00 0.00 C ATOM 963 O GLY A 64 13.609 -16.605 30.042 1.00 0.00 O ATOM 0 H GLY A 64 14.963 -19.302 31.997 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.201 -16.829 32.496 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.835 -16.498 31.954 1.00 0.00 H new ATOM 967 N ILE A 65 15.217 -18.130 29.650 1.00 0.00 N ATOM 968 CA ILE A 65 14.869 -18.297 28.245 1.00 0.00 C ATOM 969 C ILE A 65 13.381 -18.587 28.077 1.00 0.00 C ATOM 970 O ILE A 65 12.924 -19.706 28.315 1.00 0.00 O ATOM 971 CB ILE A 65 15.678 -19.434 27.595 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.178 -19.155 27.714 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.280 -19.602 26.136 1.00 0.00 C ATOM 974 CD1 ILE A 65 18.040 -20.378 27.490 1.00 0.00 C ATOM 0 H ILE A 65 16.000 -18.705 29.962 1.00 0.00 H new ATOM 0 HA ILE A 65 15.112 -17.358 27.747 1.00 0.00 H new ATOM 0 HB ILE A 65 15.457 -20.363 28.121 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.455 -18.388 26.991 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.387 -18.750 28.704 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.861 -20.410 25.691 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.219 -19.842 26.074 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.475 -18.675 25.597 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.091 -20.106 27.590 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.791 -21.139 28.229 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.860 -20.771 26.489 1.00 0.00 H new ATOM 986 N THR A 66 12.628 -17.572 27.664 1.00 0.00 N ATOM 987 CA THR A 66 11.192 -17.718 27.464 1.00 0.00 C ATOM 988 C THR A 66 10.790 -17.311 26.051 1.00 0.00 C ATOM 989 O THR A 66 9.607 -17.128 25.760 1.00 0.00 O ATOM 990 CB THR A 66 10.395 -16.872 28.476 1.00 0.00 C ATOM 991 OG1 THR A 66 10.884 -15.527 28.482 1.00 0.00 O ATOM 992 CG2 THR A 66 10.499 -17.462 29.874 1.00 0.00 C ATOM 0 H THR A 66 12.989 -16.640 27.462 1.00 0.00 H new ATOM 0 HA THR A 66 10.957 -18.771 27.617 1.00 0.00 H new ATOM 0 HB THR A 66 9.347 -16.875 28.175 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.372 -14.995 29.126 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.929 -16.848 30.571 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.099 -18.476 29.872 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.544 -17.485 30.182 1.00 0.00 H new ATOM 1000 N LEU A 67 11.780 -17.172 25.176 1.00 0.00 N ATOM 1001 CA LEU A 67 11.529 -16.788 23.791 1.00 0.00 C ATOM 1002 C LEU A 67 11.106 -17.995 22.959 1.00 0.00 C ATOM 1003 O LEU A 67 11.924 -18.856 22.637 1.00 0.00 O ATOM 1004 CB LEU A 67 12.778 -16.148 23.185 1.00 0.00 C ATOM 1005 CG LEU A 67 12.946 -14.646 23.422 1.00 0.00 C ATOM 1006 CD1 LEU A 67 11.932 -13.860 22.605 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.808 -14.322 24.902 1.00 0.00 C ATOM 0 H LEU A 67 12.764 -17.319 25.401 1.00 0.00 H new ATOM 0 HA LEU A 67 10.716 -16.062 23.782 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.654 -16.659 23.585 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.768 -16.327 22.110 1.00 0.00 H new ATOM 0 HG LEU A 67 13.945 -14.355 23.098 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.067 -12.794 22.786 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.078 -14.069 21.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.924 -14.153 22.897 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.930 -13.249 25.053 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.821 -14.627 25.251 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.573 -14.857 25.464 1.00 0.00 H new ATOM 1019 N ALA A 68 9.824 -18.049 22.613 1.00 0.00 N ATOM 1020 CA ALA A 68 9.295 -19.147 21.815 1.00 0.00 C ATOM 1021 C ALA A 68 10.091 -19.324 20.526 1.00 0.00 C ATOM 1022 O ALA A 68 10.257 -20.439 20.035 1.00 0.00 O ATOM 1023 CB ALA A 68 7.825 -18.910 21.500 1.00 0.00 C ATOM 0 H ALA A 68 9.133 -17.345 22.873 1.00 0.00 H new ATOM 0 HA ALA A 68 9.388 -20.064 22.398 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.443 -19.738 20.903 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.260 -18.842 22.430 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.718 -17.980 20.941 1.00 0.00 H new ATOM 1029 N GLY A 69 10.582 -18.214 19.983 1.00 0.00 N ATOM 1030 CA GLY A 69 11.354 -18.268 18.755 1.00 0.00 C ATOM 1031 C GLY A 69 12.783 -18.719 18.988 1.00 0.00 C ATOM 1032 O GLY A 69 13.463 -19.155 18.060 1.00 0.00 O ATOM 0 H GLY A 69 10.459 -17.279 20.371 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.871 -18.950 18.055 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.359 -17.283 18.289 1.00 0.00 H new ATOM 1036 N HIS A 70 13.240 -18.612 20.232 1.00 0.00 N ATOM 1037 CA HIS A 70 14.597 -19.012 20.585 1.00 0.00 C ATOM 1038 C HIS A 70 14.637 -20.472 21.024 1.00 0.00 C ATOM 1039 O HIS A 70 15.499 -21.236 20.591 1.00 0.00 O ATOM 1040 CB HIS A 70 15.142 -18.117 21.698 1.00 0.00 C ATOM 1041 CG HIS A 70 15.332 -16.691 21.282 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.905 -15.738 22.098 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.022 -16.057 20.126 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.938 -14.580 21.463 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.409 -14.747 20.265 1.00 0.00 N ATOM 0 H HIS A 70 12.690 -18.252 21.012 1.00 0.00 H new ATOM 0 HA HIS A 70 15.224 -18.900 19.700 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.459 -18.151 22.547 1.00 0.00 H new ATOM 0 HB3 HIS A 70 16.096 -18.517 22.040 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.557 -16.499 19.257 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.331 -13.654 21.857 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.305 -14.020 19.557 1.00 0.00 H new ATOM 1053 N GLN A 71 13.700 -20.852 21.887 1.00 0.00 N ATOM 1054 CA GLN A 71 13.630 -22.220 22.385 1.00 0.00 C ATOM 1055 C GLN A 71 13.612 -23.219 21.233 1.00 0.00 C ATOM 1056 O GLN A 71 14.234 -24.279 21.306 1.00 0.00 O ATOM 1057 CB GLN A 71 12.386 -22.405 23.256 1.00 0.00 C ATOM 1058 CG GLN A 71 12.483 -21.720 24.610 1.00 0.00 C ATOM 1059 CD GLN A 71 11.139 -21.597 25.299 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.129 -22.105 24.811 1.00 0.00 O ATOM 1061 NE2 GLN A 71 11.119 -20.920 26.441 1.00 0.00 N ATOM 0 H GLN A 71 12.979 -20.232 22.255 1.00 0.00 H new ATOM 0 HA GLN A 71 14.518 -22.406 22.989 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.518 -22.016 22.723 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.215 -23.471 23.409 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.165 -22.281 25.249 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.913 -20.727 24.480 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.980 -20.515 26.809 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.243 -20.804 26.950 1.00 0.00 H new ATOM 1070 N LYS A 72 12.894 -22.875 20.169 1.00 0.00 N ATOM 1071 CA LYS A 72 12.795 -23.740 19.000 1.00 0.00 C ATOM 1072 C LYS A 72 14.179 -24.091 18.464 1.00 0.00 C ATOM 1073 O LYS A 72 14.368 -25.135 17.839 1.00 0.00 O ATOM 1074 CB LYS A 72 11.970 -23.060 17.905 1.00 0.00 C ATOM 1075 CG LYS A 72 10.905 -23.958 17.299 1.00 0.00 C ATOM 1076 CD LYS A 72 9.707 -23.156 16.818 1.00 0.00 C ATOM 1077 CE LYS A 72 8.738 -22.867 17.953 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.405 -23.487 17.717 1.00 0.00 N ATOM 0 H LYS A 72 12.372 -22.002 20.093 1.00 0.00 H new ATOM 0 HA LYS A 72 12.297 -24.661 19.302 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.492 -22.173 18.320 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.640 -22.721 17.115 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.330 -24.515 16.464 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.581 -24.690 18.039 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.048 -22.217 16.381 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.192 -23.706 16.030 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.152 -23.243 18.889 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.622 -21.789 18.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.774 -23.266 18.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.998 -23.110 16.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.511 -24.518 17.635 1.00 0.00 H new ATOM 1092 N LYS A 73 15.145 -23.213 18.713 1.00 0.00 N ATOM 1093 CA LYS A 73 16.513 -23.431 18.258 1.00 0.00 C ATOM 1094 C LYS A 73 17.299 -24.256 19.272 1.00 0.00 C ATOM 1095 O LYS A 73 18.037 -25.170 18.904 1.00 0.00 O ATOM 1096 CB LYS A 73 17.214 -22.091 18.022 1.00 0.00 C ATOM 1097 CG LYS A 73 18.647 -22.231 17.540 1.00 0.00 C ATOM 1098 CD LYS A 73 18.927 -21.322 16.355 1.00 0.00 C ATOM 1099 CE LYS A 73 20.074 -21.850 15.506 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.813 -21.675 14.051 1.00 0.00 N ATOM 0 H LYS A 73 15.006 -22.343 19.228 1.00 0.00 H new ATOM 0 HA LYS A 73 16.473 -23.983 17.319 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.647 -21.518 17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.206 -21.518 18.949 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.331 -21.991 18.354 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.838 -23.267 17.259 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.030 -21.234 15.742 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.168 -20.321 16.712 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.994 -21.331 15.775 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.230 -22.907 15.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.617 -22.047 13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.949 -22.191 13.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.690 -20.664 13.840 1.00 0.00 H new ATOM 1114 N ILE A 74 17.134 -23.928 20.549 1.00 0.00 N ATOM 1115 CA ILE A 74 17.826 -24.641 21.616 1.00 0.00 C ATOM 1116 C ILE A 74 17.421 -26.110 21.648 1.00 0.00 C ATOM 1117 O ILE A 74 18.258 -27.000 21.490 1.00 0.00 O ATOM 1118 CB ILE A 74 17.540 -24.011 22.992 1.00 0.00 C ATOM 1119 CG1 ILE A 74 17.969 -22.542 23.003 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.256 -24.785 24.088 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.480 -21.779 24.214 1.00 0.00 C ATOM 0 H ILE A 74 16.527 -23.173 20.870 1.00 0.00 H new ATOM 0 HA ILE A 74 18.893 -24.565 21.406 1.00 0.00 H new ATOM 0 HB ILE A 74 16.468 -24.059 23.182 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.057 -22.489 22.965 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.595 -22.056 22.102 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.044 -24.328 25.054 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.908 -25.818 24.091 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.330 -24.765 23.905 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.821 -20.745 24.155 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.391 -21.800 24.242 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.875 -22.241 25.119 1.00 0.00 H new ATOM 1133 N LEU A 75 16.132 -26.358 21.852 1.00 0.00 N ATOM 1134 CA LEU A 75 15.614 -27.721 21.903 1.00 0.00 C ATOM 1135 C LEU A 75 16.019 -28.505 20.659 1.00 0.00 C ATOM 1136 O LEU A 75 16.374 -29.680 20.742 1.00 0.00 O ATOM 1137 CB LEU A 75 14.090 -27.704 22.035 1.00 0.00 C ATOM 1138 CG LEU A 75 13.528 -26.920 23.222 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.028 -26.723 23.069 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.843 -27.633 24.529 1.00 0.00 C ATOM 0 H LEU A 75 15.426 -25.633 21.985 1.00 0.00 H new ATOM 0 HA LEU A 75 16.043 -28.213 22.776 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.671 -27.288 21.119 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.740 -28.734 22.107 1.00 0.00 H new ATOM 0 HG LEU A 75 14.003 -25.939 23.243 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.646 -26.163 23.923 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.825 -26.170 22.152 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.536 -27.695 23.023 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.436 -27.061 25.363 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.396 -28.627 24.518 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.923 -27.722 24.644 1.00 0.00 H new ATOM 1152 N ASN A 76 15.965 -27.845 19.507 1.00 0.00 N ATOM 1153 CA ASN A 76 16.329 -28.480 18.245 1.00 0.00 C ATOM 1154 C ASN A 76 17.772 -28.973 18.280 1.00 0.00 C ATOM 1155 O ASN A 76 18.135 -29.913 17.572 1.00 0.00 O ATOM 1156 CB ASN A 76 16.141 -27.500 17.085 1.00 0.00 C ATOM 1157 CG ASN A 76 14.759 -27.593 16.467 1.00 0.00 C ATOM 1158 OD1 ASN A 76 13.866 -28.244 17.011 1.00 0.00 O ATOM 1159 ND2 ASN A 76 14.576 -26.942 15.325 1.00 0.00 N ATOM 0 H ASN A 76 15.673 -26.871 19.421 1.00 0.00 H new ATOM 0 HA ASN A 76 15.674 -29.339 18.097 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.309 -26.484 17.441 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.892 -27.698 16.320 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.667 -26.969 14.863 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.344 -26.415 14.910 1.00 0.00 H new ATOM 1166 N SER A 77 18.590 -28.333 19.109 1.00 0.00 N ATOM 1167 CA SER A 77 19.995 -28.704 19.234 1.00 0.00 C ATOM 1168 C SER A 77 20.192 -29.713 20.361 1.00 0.00 C ATOM 1169 O SER A 77 20.936 -30.684 20.217 1.00 0.00 O ATOM 1170 CB SER A 77 20.852 -27.463 19.490 1.00 0.00 C ATOM 1171 OG SER A 77 22.087 -27.545 18.801 1.00 0.00 O ATOM 0 H SER A 77 18.304 -27.555 19.704 1.00 0.00 H new ATOM 0 HA SER A 77 20.308 -29.165 18.297 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.312 -26.572 19.170 1.00 0.00 H new ATOM 0 HB3 SER A 77 21.035 -27.358 20.559 1.00 0.00 H new ATOM 0 HG SER A 77 22.700 -28.127 19.297 1.00 0.00 H new ATOM 1177 N ILE A 78 19.519 -29.476 21.482 1.00 0.00 N ATOM 1178 CA ILE A 78 19.619 -30.364 22.634 1.00 0.00 C ATOM 1179 C ILE A 78 19.084 -31.754 22.305 1.00 0.00 C ATOM 1180 O ILE A 78 19.686 -32.765 22.669 1.00 0.00 O ATOM 1181 CB ILE A 78 18.849 -29.804 23.845 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.383 -28.420 24.221 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.954 -30.757 25.026 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.578 -27.735 25.302 1.00 0.00 C ATOM 0 H ILE A 78 18.899 -28.677 21.617 1.00 0.00 H new ATOM 0 HA ILE A 78 20.677 -30.435 22.887 1.00 0.00 H new ATOM 0 HB ILE A 78 17.798 -29.706 23.575 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.416 -28.517 24.555 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.393 -27.789 23.332 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.405 -30.347 25.874 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.531 -31.724 24.752 1.00 0.00 H new ATOM 0 HG23 ILE A 78 20.002 -30.884 25.299 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.014 -26.759 25.517 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.550 -27.606 24.964 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.589 -28.345 26.205 1.00 0.00 H new ATOM 1196 N HIS A 79 17.951 -31.797 21.612 1.00 0.00 N ATOM 1197 CA HIS A 79 17.336 -33.064 21.230 1.00 0.00 C ATOM 1198 C HIS A 79 18.301 -33.910 20.406 1.00 0.00 C ATOM 1199 O HIS A 79 18.377 -35.126 20.577 1.00 0.00 O ATOM 1200 CB HIS A 79 16.053 -32.813 20.437 1.00 0.00 C ATOM 1201 CG HIS A 79 15.007 -33.866 20.642 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.731 -33.769 20.128 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.055 -35.043 21.308 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.038 -34.840 20.471 1.00 0.00 C ATOM 1205 NE2 HIS A 79 13.819 -35.629 21.187 1.00 0.00 N ATOM 0 H HIS A 79 17.440 -30.970 21.303 1.00 0.00 H new ATOM 0 HA HIS A 79 17.090 -33.610 22.141 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.643 -31.844 20.722 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.297 -32.756 19.376 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.906 -35.446 21.836 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.009 -35.037 20.211 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.548 -36.528 21.585 1.00 0.00 H new ATOM 1213 N SER A 80 19.036 -33.257 19.510 1.00 0.00 N ATOM 1214 CA SER A 80 19.993 -33.950 18.656 1.00 0.00 C ATOM 1215 C SER A 80 21.302 -34.200 19.397 1.00 0.00 C ATOM 1216 O SER A 80 22.032 -35.142 19.090 1.00 0.00 O ATOM 1217 CB SER A 80 20.259 -33.137 17.388 1.00 0.00 C ATOM 1218 OG SER A 80 21.005 -33.889 16.446 1.00 0.00 O ATOM 0 H SER A 80 18.987 -32.250 19.357 1.00 0.00 H new ATOM 0 HA SER A 80 19.564 -34.913 18.379 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.312 -32.829 16.944 1.00 0.00 H new ATOM 0 HB3 SER A 80 20.802 -32.227 17.643 1.00 0.00 H new ATOM 0 HG SER A 80 21.160 -33.347 15.644 1.00 0.00 H new ATOM 1224 N MET A 81 21.592 -33.349 20.376 1.00 0.00 N ATOM 1225 CA MET A 81 22.813 -33.477 21.163 1.00 0.00 C ATOM 1226 C MET A 81 22.775 -34.736 22.024 1.00 0.00 C ATOM 1227 O MET A 81 23.709 -35.538 22.009 1.00 0.00 O ATOM 1228 CB MET A 81 23.006 -32.245 22.049 1.00 0.00 C ATOM 1229 CG MET A 81 24.236 -31.426 21.692 1.00 0.00 C ATOM 1230 SD MET A 81 24.934 -30.565 23.114 1.00 0.00 S ATOM 1231 CE MET A 81 23.695 -29.299 23.383 1.00 0.00 C ATOM 0 H MET A 81 20.998 -32.564 20.643 1.00 0.00 H new ATOM 0 HA MET A 81 23.654 -33.555 20.473 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.123 -31.611 21.973 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.081 -32.564 23.089 1.00 0.00 H new ATOM 0 HG2 MET A 81 24.993 -32.082 21.262 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.973 -30.698 20.925 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.161 -28.315 23.323 1.00 0.00 H new ATOM 0 HE2 MET A 81 22.920 -29.380 22.621 1.00 0.00 H new ATOM 0 HE3 MET A 81 23.249 -29.430 24.369 1.00 0.00 H new ATOM 1241 N ARG A 82 21.690 -34.903 22.773 1.00 0.00 N ATOM 1242 CA ARG A 82 21.532 -36.063 23.641 1.00 0.00 C ATOM 1243 C ARG A 82 21.579 -37.357 22.833 1.00 0.00 C ATOM 1244 O ARG A 82 22.227 -38.326 23.229 1.00 0.00 O ATOM 1245 CB ARG A 82 20.212 -35.977 24.409 1.00 0.00 C ATOM 1246 CG ARG A 82 18.996 -35.802 23.513 1.00 0.00 C ATOM 1247 CD ARG A 82 17.817 -35.224 24.280 1.00 0.00 C ATOM 1248 NE ARG A 82 17.296 -36.161 25.271 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.473 -35.811 26.253 1.00 0.00 C ATOM 1250 NH1 ARG A 82 16.080 -34.551 26.374 1.00 0.00 N ATOM 1251 NH2 ARG A 82 16.042 -36.722 27.116 1.00 0.00 N ATOM 0 H ARG A 82 20.907 -34.249 22.796 1.00 0.00 H new ATOM 0 HA ARG A 82 22.358 -36.068 24.352 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.088 -36.882 25.003 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.261 -35.142 25.107 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.248 -35.144 22.681 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.716 -36.765 23.085 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.124 -34.304 24.777 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.024 -34.959 23.580 1.00 0.00 H new ATOM 0 HE ARG A 82 17.580 -37.139 25.206 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.410 -33.848 25.712 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.448 -34.284 27.129 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.343 -37.692 27.026 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.410 -36.452 27.870 1.00 0.00 H new