USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 356 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 51 SER OG : rot 75:sc= 1.83 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -178:sc= 1.08 (180deg=0.44) USER MOD Single : A 27 MET CE :methyl -164:sc= 0 (180deg=-0.314) USER MOD Single : A 31 ASN : amide:sc= -0.99 K(o=-0.99,f=-6!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 76:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.136 K(o=-0.14,f=-4.2!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0404 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.437 28.903 -7.532 1.00 25.00 N ATOM 273 CA PRO A 21 30.481 29.265 -6.112 1.00 25.00 C ATOM 274 C PRO A 21 30.815 30.729 -5.885 1.00 25.00 C ATOM 275 O PRO A 21 30.343 31.322 -4.937 1.00 25.00 O ATOM 276 CB PRO A 21 31.609 28.384 -5.564 1.00 25.00 C ATOM 277 CG PRO A 21 32.392 28.019 -6.743 1.00 25.00 C ATOM 278 CD PRO A 21 31.437 27.874 -7.847 1.00 25.00 C ATOM 0 HA PRO A 21 29.515 29.117 -5.630 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.215 28.922 -4.836 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.215 27.501 -5.060 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.133 28.785 -6.969 1.00 25.00 H new ATOM 0 HG3 PRO A 21 32.936 27.089 -6.575 1.00 25.00 H new ATOM 0 HD2 PRO A 21 31.906 28.046 -8.816 1.00 25.00 H new ATOM 0 HD3 PRO A 21 30.999 26.876 -7.877 1.00 25.00 H new ATOM 286 N ALA A 22 31.617 31.320 -6.761 1.00 25.00 N ATOM 287 CA ALA A 22 31.985 32.723 -6.611 1.00 25.00 C ATOM 288 C ALA A 22 30.752 33.617 -6.698 1.00 25.00 C ATOM 289 O ALA A 22 30.558 34.495 -5.867 1.00 25.00 O ATOM 290 CB ALA A 22 33.012 33.112 -7.678 1.00 25.00 C ATOM 0 H ALA A 22 32.022 30.857 -7.575 1.00 25.00 H new ATOM 0 HA ALA A 22 32.433 32.863 -5.627 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.281 34.161 -7.558 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.903 32.494 -7.568 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.584 32.958 -8.668 1.00 25.00 H new ATOM 296 N LEU A 23 29.916 33.375 -7.699 1.00 25.00 N ATOM 297 CA LEU A 23 28.722 34.194 -7.904 1.00 25.00 C ATOM 298 C LEU A 23 27.701 33.902 -6.816 1.00 25.00 C ATOM 299 O LEU A 23 27.024 34.798 -6.332 1.00 25.00 O ATOM 300 CB LEU A 23 28.082 33.914 -9.271 1.00 25.00 C ATOM 301 CG LEU A 23 28.953 34.074 -10.534 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.096 33.782 -11.768 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.578 35.449 -10.673 1.00 25.00 C ATOM 0 H LEU A 23 30.038 32.625 -8.379 1.00 25.00 H new ATOM 0 HA LEU A 23 29.026 35.240 -7.865 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.702 32.893 -9.257 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.220 34.573 -9.376 1.00 25.00 H new ATOM 0 HG LEU A 23 29.777 33.366 -10.443 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.703 33.892 -12.667 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.713 32.763 -11.712 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.261 34.482 -11.805 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.176 35.487 -11.584 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.792 36.203 -10.723 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.216 35.647 -9.812 1.00 25.00 H new ATOM 315 N LEU A 24 27.594 32.640 -6.428 1.00 25.00 N ATOM 316 CA LEU A 24 26.636 32.246 -5.405 1.00 25.00 C ATOM 317 C LEU A 24 27.006 32.828 -4.051 1.00 25.00 C ATOM 318 O LEU A 24 26.143 33.291 -3.321 1.00 25.00 O ATOM 319 CB LEU A 24 26.566 30.721 -5.314 1.00 25.00 C ATOM 320 CG LEU A 24 25.539 30.151 -4.320 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.156 30.788 -4.449 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.431 28.662 -4.517 1.00 25.00 C ATOM 0 H LEU A 24 28.155 31.875 -6.803 1.00 25.00 H new ATOM 0 HA LEU A 24 25.659 32.638 -5.688 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.340 30.328 -6.305 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.553 30.347 -5.040 1.00 25.00 H new ATOM 0 HG LEU A 24 25.899 30.385 -3.318 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.480 30.341 -3.720 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.231 31.860 -4.265 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.769 30.618 -5.454 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.704 28.254 -3.815 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.108 28.452 -5.537 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.403 28.200 -4.343 1.00 25.00 H new ATOM 334 N ARG A 25 28.293 32.844 -3.736 1.00 25.00 N ATOM 335 CA ARG A 25 28.775 33.417 -2.480 1.00 25.00 C ATOM 336 C ARG A 25 28.368 34.869 -2.457 1.00 25.00 C ATOM 337 O ARG A 25 27.872 35.374 -1.469 1.00 25.00 O ATOM 338 CB ARG A 25 30.305 33.318 -2.414 1.00 25.00 C ATOM 339 CG ARG A 25 30.922 33.833 -1.122 1.00 25.00 C ATOM 340 CD ARG A 25 32.297 34.425 -1.370 1.00 25.00 C ATOM 341 NE ARG A 25 32.213 35.716 -2.086 1.00 25.00 N ATOM 342 CZ ARG A 25 33.078 36.718 -1.970 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.130 36.658 -1.190 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.879 37.815 -2.647 1.00 25.00 N ATOM 0 H ARG A 25 29.028 32.466 -4.334 1.00 25.00 H new ATOM 0 HA ARG A 25 28.353 32.880 -1.631 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.594 32.276 -2.548 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.728 33.876 -3.250 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.272 34.589 -0.681 1.00 25.00 H new ATOM 0 HG3 ARG A 25 30.998 33.018 -0.402 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.809 34.569 -0.418 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.896 33.724 -1.951 1.00 25.00 H new ATOM 0 HE ARG A 25 31.426 35.848 -2.721 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.311 35.817 -0.641 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.768 37.452 -1.132 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.066 37.897 -3.258 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.536 38.591 -2.566 1.00 25.00 H new ATOM 358 N ASP A 26 28.589 35.531 -3.572 1.00 25.00 N ATOM 359 CA ASP A 26 28.296 36.947 -3.689 1.00 25.00 C ATOM 360 C ASP A 26 26.795 37.239 -3.552 1.00 25.00 C ATOM 361 O ASP A 26 26.394 38.129 -2.806 1.00 25.00 O ATOM 362 CB ASP A 26 28.826 37.424 -5.029 1.00 25.00 C ATOM 363 CG ASP A 26 29.629 38.696 -4.907 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.321 39.689 -5.588 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.625 38.673 -4.140 1.00 25.00 O ATOM 0 H ASP A 26 28.973 35.109 -4.417 1.00 25.00 H new ATOM 0 HA ASP A 26 28.783 37.485 -2.876 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.448 36.645 -5.469 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.991 37.588 -5.710 1.00 25.00 H new ATOM 370 N MET A 27 25.967 36.439 -4.212 1.00 25.00 N ATOM 371 CA MET A 27 24.508 36.574 -4.114 1.00 25.00 C ATOM 372 C MET A 27 24.045 36.348 -2.687 1.00 25.00 C ATOM 373 O MET A 27 23.219 37.086 -2.172 1.00 25.00 O ATOM 374 CB MET A 27 23.821 35.545 -5.013 1.00 25.00 C ATOM 375 CG MET A 27 22.307 35.716 -5.081 1.00 25.00 C ATOM 376 SD MET A 27 21.505 34.341 -5.929 1.00 25.00 S ATOM 377 CE MET A 27 21.342 33.133 -4.572 1.00 25.00 C ATOM 0 H MET A 27 26.277 35.685 -4.825 1.00 25.00 H new ATOM 0 HA MET A 27 24.244 37.583 -4.430 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.233 35.620 -6.019 1.00 25.00 H new ATOM 0 HB3 MET A 27 24.050 34.544 -4.648 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.907 35.801 -4.071 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.071 36.647 -5.597 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.133 32.147 -4.986 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.271 33.098 -4.002 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.525 33.431 -3.915 1.00 25.00 H new ATOM 387 N LEU A 28 24.572 35.315 -2.055 1.00 25.00 N ATOM 388 CA LEU A 28 24.195 34.971 -0.697 1.00 25.00 C ATOM 389 C LEU A 28 24.594 36.052 0.287 1.00 25.00 C ATOM 390 O LEU A 28 23.830 36.398 1.169 1.00 25.00 O ATOM 391 CB LEU A 28 24.853 33.679 -0.303 1.00 25.00 C ATOM 392 CG LEU A 28 24.011 32.473 -0.691 1.00 25.00 C ATOM 393 CD1 LEU A 28 24.890 31.293 -0.731 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.894 32.274 0.308 1.00 25.00 C ATOM 0 H LEU A 28 25.269 34.694 -2.466 1.00 25.00 H new ATOM 0 HA LEU A 28 23.110 34.869 -0.669 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.830 33.609 -0.781 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.023 33.672 0.774 1.00 25.00 H new ATOM 0 HG LEU A 28 23.557 32.628 -1.670 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.307 30.414 -1.008 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.679 31.452 -1.467 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.336 31.138 0.251 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.298 31.408 0.020 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.317 32.110 1.299 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.260 33.161 0.326 1.00 25.00 H new ATOM 406 N LEU A 29 25.787 36.599 0.114 1.00 25.00 N ATOM 407 CA LEU A 29 26.276 37.666 0.995 1.00 25.00 C ATOM 408 C LEU A 29 25.372 38.885 0.892 1.00 25.00 C ATOM 409 O LEU A 29 25.109 39.567 1.880 1.00 25.00 O ATOM 410 CB LEU A 29 27.705 38.072 0.607 1.00 25.00 C ATOM 411 CG LEU A 29 28.838 37.165 1.109 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.123 37.470 0.342 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.070 37.343 2.610 1.00 25.00 C ATOM 0 H LEU A 29 26.438 36.328 -0.623 1.00 25.00 H new ATOM 0 HA LEU A 29 26.272 37.290 2.018 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.762 38.119 -0.480 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.886 39.080 0.979 1.00 25.00 H new ATOM 0 HG LEU A 29 28.546 36.129 0.935 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.924 36.824 0.702 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.963 37.292 -0.721 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.401 38.513 0.497 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.878 36.687 2.934 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.339 38.379 2.816 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.159 37.090 3.152 1.00 25.00 H new ATOM 425 N ALA A 30 24.891 39.142 -0.312 1.00 25.00 N ATOM 426 CA ALA A 30 24.016 40.278 -0.569 1.00 25.00 C ATOM 427 C ALA A 30 22.564 40.011 -0.142 1.00 25.00 C ATOM 428 O ALA A 30 21.761 40.940 -0.061 1.00 25.00 O ATOM 429 CB ALA A 30 24.067 40.626 -2.064 1.00 25.00 C ATOM 0 H ALA A 30 25.093 38.575 -1.135 1.00 25.00 H new ATOM 0 HA ALA A 30 24.374 41.116 0.029 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.414 41.476 -2.262 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.089 40.881 -2.344 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.734 39.768 -2.649 1.00 25.00 H new ATOM 435 N ASN A 31 22.210 38.750 0.076 1.00 25.00 N ATOM 436 CA ASN A 31 20.824 38.384 0.361 1.00 25.00 C ATOM 437 C ASN A 31 20.609 38.026 1.833 1.00 25.00 C ATOM 438 O ASN A 31 20.924 36.918 2.265 1.00 25.00 O ATOM 439 CB ASN A 31 20.432 37.196 -0.506 1.00 25.00 C ATOM 440 CG ASN A 31 18.949 37.011 -0.581 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.242 37.058 0.423 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.462 36.813 -1.773 1.00 25.00 N ATOM 0 H ASN A 31 22.860 37.964 0.061 1.00 25.00 H new ATOM 0 HA ASN A 31 20.201 39.250 0.137 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.829 37.336 -1.511 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.889 36.291 -0.106 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.457 36.690 -1.899 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.085 36.781 -2.580 1.00 25.00 H new ATOM 449 N PRO A 32 20.027 38.943 2.622 1.00 25.00 N ATOM 450 CA PRO A 32 19.908 38.641 4.051 1.00 25.00 C ATOM 451 C PRO A 32 18.977 37.477 4.407 1.00 25.00 C ATOM 452 O PRO A 32 19.171 36.823 5.427 1.00 25.00 O ATOM 453 CB PRO A 32 19.398 39.962 4.634 1.00 25.00 C ATOM 454 CG PRO A 32 18.668 40.601 3.498 1.00 25.00 C ATOM 455 CD PRO A 32 19.505 40.287 2.310 1.00 25.00 C ATOM 0 HA PRO A 32 20.861 38.298 4.453 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.740 39.794 5.487 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.219 40.588 4.983 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.661 40.198 3.394 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.568 41.677 3.643 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.919 40.290 1.391 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.308 41.012 2.178 1.00 25.00 H new ATOM 463 N HIS A 33 17.975 37.202 3.587 1.00 25.00 N ATOM 464 CA HIS A 33 17.069 36.087 3.858 1.00 25.00 C ATOM 465 C HIS A 33 17.729 34.753 3.526 1.00 25.00 C ATOM 466 O HIS A 33 17.610 33.772 4.256 1.00 25.00 O ATOM 467 CB HIS A 33 15.791 36.233 3.031 1.00 25.00 C ATOM 468 CG HIS A 33 14.787 35.152 3.284 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.906 35.146 4.337 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.535 33.999 2.605 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.179 34.034 4.265 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.514 33.301 3.223 1.00 25.00 N ATOM 0 H HIS A 33 17.766 37.726 2.737 1.00 25.00 H new ATOM 0 HA HIS A 33 16.825 36.106 4.920 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.335 37.199 3.249 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.051 36.235 1.973 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.056 33.677 1.715 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.409 33.765 4.973 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.108 32.411 2.934 1.00 25.00 H new ATOM 480 N GLU A 34 18.414 34.726 2.398 1.00 25.00 N ATOM 481 CA GLU A 34 19.004 33.493 1.881 1.00 25.00 C ATOM 482 C GLU A 34 20.204 33.114 2.734 1.00 25.00 C ATOM 483 O GLU A 34 20.407 31.959 3.070 1.00 25.00 O ATOM 484 CB GLU A 34 19.409 33.709 0.425 1.00 25.00 C ATOM 485 CG GLU A 34 18.333 33.345 -0.589 1.00 25.00 C ATOM 486 CD GLU A 34 18.074 31.845 -0.671 1.00 25.00 C ATOM 487 OE1 GLU A 34 19.008 31.051 -0.419 1.00 25.00 O ATOM 488 OE2 GLU A 34 16.932 31.463 -1.000 1.00 25.00 O ATOM 0 H GLU A 34 18.579 35.546 1.815 1.00 25.00 H new ATOM 0 HA GLU A 34 18.282 32.677 1.924 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.681 34.756 0.288 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.301 33.118 0.217 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.406 33.854 -0.325 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.629 33.711 -1.572 1.00 25.00 H new ATOM 495 N LEU A 35 20.957 34.105 3.172 1.00 25.00 N ATOM 496 CA LEU A 35 22.081 33.846 4.059 1.00 25.00 C ATOM 497 C LEU A 35 21.599 33.292 5.398 1.00 25.00 C ATOM 498 O LEU A 35 22.299 32.530 6.054 1.00 25.00 O ATOM 499 CB LEU A 35 22.922 35.091 4.189 1.00 25.00 C ATOM 500 CG LEU A 35 22.664 36.236 5.159 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.806 35.907 6.631 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.694 37.246 4.746 1.00 25.00 C ATOM 0 H LEU A 35 20.816 35.087 2.933 1.00 25.00 H new ATOM 0 HA LEU A 35 22.721 33.073 3.633 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.934 34.745 4.401 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.941 35.541 3.197 1.00 25.00 H new ATOM 0 HG LEU A 35 21.625 36.560 5.094 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.599 36.798 7.224 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.100 35.121 6.898 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.822 35.565 6.831 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.611 38.130 5.378 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.690 36.815 4.854 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.531 37.527 3.706 1.00 25.00 H new ATOM 514 N SER A 36 20.399 33.693 5.798 1.00 25.00 N ATOM 515 CA SER A 36 19.805 33.264 7.064 1.00 25.00 C ATOM 516 C SER A 36 19.314 31.829 6.994 1.00 25.00 C ATOM 517 O SER A 36 19.515 31.064 7.925 1.00 25.00 O ATOM 518 CB SER A 36 18.655 34.181 7.474 1.00 25.00 C ATOM 519 OG SER A 36 19.143 35.485 7.746 1.00 25.00 O ATOM 0 H SER A 36 19.808 34.324 5.257 1.00 25.00 H new ATOM 0 HA SER A 36 20.590 33.324 7.817 1.00 25.00 H new ATOM 0 HB2 SER A 36 17.911 34.222 6.679 1.00 25.00 H new ATOM 0 HB3 SER A 36 18.157 33.780 8.356 1.00 25.00 H new ATOM 0 HG SER A 36 19.335 35.945 6.902 1.00 25.00 H new ATOM 525 N LEU A 37 18.716 31.440 5.877 1.00 25.00 N ATOM 526 CA LEU A 37 18.278 30.055 5.708 1.00 25.00 C ATOM 527 C LEU A 37 19.470 29.182 5.639 1.00 25.00 C ATOM 528 O LEU A 37 19.457 28.046 6.052 1.00 25.00 O ATOM 529 CB LEU A 37 17.390 29.885 4.496 1.00 25.00 C ATOM 530 CG LEU A 37 17.807 29.874 3.019 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.525 28.608 2.609 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.536 30.028 2.184 1.00 25.00 C ATOM 0 H LEU A 37 18.523 32.051 5.083 1.00 25.00 H new ATOM 0 HA LEU A 37 17.671 29.769 6.567 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.871 28.939 4.653 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.644 30.675 4.576 1.00 25.00 H new ATOM 0 HG LEU A 37 18.511 30.691 2.857 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.791 28.666 1.554 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.430 28.493 3.206 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.872 27.750 2.772 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.794 30.025 1.125 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.859 29.200 2.395 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.047 30.969 2.435 1.00 25.00 H new ATOM 544 N LEU A 38 20.511 29.720 5.063 1.00 25.00 N ATOM 545 CA LEU A 38 21.728 28.985 4.910 1.00 25.00 C ATOM 546 C LEU A 38 22.340 28.638 6.253 1.00 25.00 C ATOM 547 O LEU A 38 22.661 27.494 6.497 1.00 25.00 O ATOM 548 CB LEU A 38 22.657 29.809 4.062 1.00 25.00 C ATOM 549 CG LEU A 38 23.906 29.056 3.600 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.510 27.945 2.675 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.892 29.980 2.928 1.00 25.00 C ATOM 0 H LEU A 38 20.536 30.670 4.692 1.00 25.00 H new ATOM 0 HA LEU A 38 21.533 28.032 4.419 1.00 25.00 H new ATOM 0 HB2 LEU A 38 22.114 30.165 3.186 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.964 30.690 4.626 1.00 25.00 H new ATOM 0 HG LEU A 38 24.399 28.637 4.477 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.401 27.410 2.347 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.845 27.257 3.197 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.996 28.359 1.808 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.767 29.411 2.613 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.425 30.440 2.057 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.198 30.757 3.628 1.00 25.00 H new ATOM 563 N LYS A 39 22.435 29.598 7.154 1.00 25.00 N ATOM 564 CA LYS A 39 22.917 29.290 8.516 1.00 25.00 C ATOM 565 C LYS A 39 21.921 28.462 9.324 1.00 25.00 C ATOM 566 O LYS A 39 22.325 27.714 10.200 1.00 25.00 O ATOM 567 CB LYS A 39 23.344 30.549 9.286 1.00 25.00 C ATOM 568 CG LYS A 39 22.318 31.681 9.300 1.00 25.00 C ATOM 569 CD LYS A 39 22.697 32.819 10.238 1.00 25.00 C ATOM 570 CE LYS A 39 23.876 33.621 9.688 1.00 25.00 C ATOM 571 NZ LYS A 39 24.191 34.802 10.559 1.00 25.00 N ATOM 0 H LYS A 39 22.196 30.576 6.989 1.00 25.00 H new ATOM 0 HA LYS A 39 23.806 28.674 8.378 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.566 30.268 10.316 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.270 30.925 8.851 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.205 32.073 8.289 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.348 31.281 9.597 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.840 33.478 10.379 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.954 32.416 11.218 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.753 32.977 9.615 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.646 33.963 8.679 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.996 35.325 10.158 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.362 35.428 10.609 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.434 34.473 11.515 1.00 25.00 H new ATOM 585 N GLU A 40 20.642 28.564 9.004 1.00 25.00 N ATOM 586 CA GLU A 40 19.619 27.749 9.663 1.00 25.00 C ATOM 587 C GLU A 40 19.736 26.284 9.216 1.00 25.00 C ATOM 588 O GLU A 40 19.728 25.367 10.031 1.00 25.00 O ATOM 589 CB GLU A 40 18.226 28.289 9.286 1.00 25.00 C ATOM 590 CG GLU A 40 17.032 27.556 9.912 1.00 25.00 C ATOM 591 CD GLU A 40 15.772 27.664 9.046 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.616 28.661 8.314 1.00 25.00 O ATOM 593 OE2 GLU A 40 14.978 26.696 9.020 1.00 25.00 O ATOM 0 H GLU A 40 20.281 29.201 8.293 1.00 25.00 H new ATOM 0 HA GLU A 40 19.761 27.800 10.743 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.175 29.339 9.574 1.00 25.00 H new ATOM 0 HB3 GLU A 40 18.124 28.250 8.202 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.285 26.505 10.053 1.00 25.00 H new ATOM 0 HG3 GLU A 40 16.830 27.971 10.900 1.00 25.00 H new ATOM 600 N ARG A 41 19.762 26.075 7.905 1.00 25.00 N ATOM 601 CA ARG A 41 19.639 24.723 7.328 1.00 25.00 C ATOM 602 C ARG A 41 20.921 24.047 6.868 1.00 25.00 C ATOM 603 O ARG A 41 20.992 22.826 6.799 1.00 25.00 O ATOM 604 CB ARG A 41 18.660 24.806 6.162 1.00 25.00 C ATOM 605 CG ARG A 41 17.349 25.388 6.637 1.00 25.00 C ATOM 606 CD ARG A 41 16.245 25.427 5.622 1.00 25.00 C ATOM 607 NE ARG A 41 15.120 26.133 6.247 1.00 25.00 N ATOM 608 CZ ARG A 41 14.011 26.537 5.655 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.768 26.324 4.385 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.135 27.174 6.374 1.00 25.00 N ATOM 0 H ARG A 41 19.867 26.818 7.214 1.00 25.00 H new ATOM 0 HA ARG A 41 19.296 24.087 8.144 1.00 25.00 H new ATOM 0 HB2 ARG A 41 19.077 25.425 5.368 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.497 23.814 5.740 1.00 25.00 H new ATOM 0 HG2 ARG A 41 17.007 24.810 7.496 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.530 26.404 6.988 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.570 25.941 4.717 1.00 25.00 H new ATOM 0 HD3 ARG A 41 15.954 24.418 5.329 1.00 25.00 H new ATOM 0 HE ARG A 41 15.204 26.333 7.244 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.450 25.828 3.812 1.00 25.00 H new ATOM 0 HH12 ARG A 41 12.897 26.655 3.970 1.00 25.00 H new ATOM 0 HH21 ARG A 41 13.316 27.347 7.363 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.267 27.501 5.949 1.00 25.00 H new ATOM 624 N ASN A 42 21.926 24.840 6.559 1.00 25.00 N ATOM 625 CA ASN A 42 23.244 24.320 6.143 1.00 25.00 C ATOM 626 C ASN A 42 24.408 24.998 6.874 1.00 25.00 C ATOM 627 O ASN A 42 25.195 25.726 6.254 1.00 25.00 O ATOM 628 CB ASN A 42 23.449 24.511 4.637 1.00 25.00 C ATOM 629 CG ASN A 42 24.544 23.630 4.091 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.267 22.989 4.828 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.672 23.596 2.801 1.00 25.00 N ATOM 0 H ASN A 42 21.869 25.858 6.584 1.00 25.00 H new ATOM 0 HA ASN A 42 23.243 23.261 6.402 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.517 24.293 4.115 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.691 25.554 4.435 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.397 23.018 2.375 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.048 24.147 2.212 1.00 25.00 H new ATOM 638 N PRO A 43 24.558 24.756 8.188 1.00 25.00 N ATOM 639 CA PRO A 43 25.662 25.454 8.861 1.00 25.00 C ATOM 640 C PRO A 43 27.092 25.302 8.281 1.00 25.00 C ATOM 641 O PRO A 43 27.825 26.290 8.270 1.00 25.00 O ATOM 642 CB PRO A 43 25.566 24.957 10.312 1.00 25.00 C ATOM 643 CG PRO A 43 24.742 23.712 10.256 1.00 25.00 C ATOM 644 CD PRO A 43 23.781 23.929 9.131 1.00 25.00 C ATOM 0 HA PRO A 43 25.532 26.528 8.727 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.555 24.754 10.723 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.101 25.706 10.953 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.365 22.835 10.079 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.217 23.545 11.196 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.468 22.987 8.680 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.877 24.438 9.465 1.00 25.00 H new ATOM 652 N PRO A 44 27.501 24.117 7.755 1.00 25.00 N ATOM 653 CA PRO A 44 28.872 24.184 7.218 1.00 25.00 C ATOM 654 C PRO A 44 29.051 25.033 5.944 1.00 25.00 C ATOM 655 O PRO A 44 30.104 25.640 5.760 1.00 25.00 O ATOM 656 CB PRO A 44 29.209 22.714 6.956 1.00 25.00 C ATOM 657 CG PRO A 44 27.918 22.096 6.652 1.00 25.00 C ATOM 658 CD PRO A 44 26.955 22.751 7.608 1.00 25.00 C ATOM 0 HA PRO A 44 29.532 24.690 7.922 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.906 22.608 6.125 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.676 22.252 7.826 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.629 22.269 5.615 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.950 21.016 6.798 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.940 22.764 7.211 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.917 22.227 8.563 1.00 25.00 H new ATOM 666 N LEU A 45 28.049 25.127 5.073 1.00 25.00 N ATOM 667 CA LEU A 45 28.184 26.012 3.908 1.00 25.00 C ATOM 668 C LEU A 45 28.019 27.447 4.376 1.00 25.00 C ATOM 669 O LEU A 45 28.620 28.374 3.840 1.00 25.00 O ATOM 670 CB LEU A 45 27.169 25.685 2.814 1.00 25.00 C ATOM 671 CG LEU A 45 27.261 26.510 1.507 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.650 26.489 0.864 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.256 25.960 0.500 1.00 25.00 C ATOM 0 H LEU A 45 27.164 24.624 5.141 1.00 25.00 H new ATOM 0 HA LEU A 45 29.171 25.865 3.469 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.273 24.631 2.558 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.169 25.815 3.228 1.00 25.00 H new ATOM 0 HG LEU A 45 27.045 27.544 1.776 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.638 27.088 -0.047 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.380 26.902 1.561 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.922 25.462 0.620 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.314 26.536 -0.424 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.485 24.915 0.291 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.250 26.036 0.912 1.00 25.00 H new ATOM 685 N ALA A 46 27.215 27.626 5.407 1.00 25.00 N ATOM 686 CA ALA A 46 27.002 28.949 5.951 1.00 25.00 C ATOM 687 C ALA A 46 28.258 29.537 6.562 1.00 25.00 C ATOM 688 O ALA A 46 28.585 30.663 6.257 1.00 25.00 O ATOM 689 CB ALA A 46 25.925 28.914 6.970 1.00 25.00 C ATOM 0 H ALA A 46 26.705 26.879 5.879 1.00 25.00 H new ATOM 0 HA ALA A 46 26.711 29.590 5.119 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.773 29.915 7.373 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.001 28.563 6.511 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.209 28.238 7.776 1.00 25.00 H new ATOM 695 N GLU A 47 28.956 28.799 7.420 1.00 25.00 N ATOM 696 CA GLU A 47 30.144 29.349 8.100 1.00 25.00 C ATOM 697 C GLU A 47 31.193 29.793 7.086 1.00 25.00 C ATOM 698 O GLU A 47 31.874 30.806 7.272 1.00 25.00 O ATOM 699 CB GLU A 47 30.740 28.391 9.128 1.00 25.00 C ATOM 700 CG GLU A 47 31.201 27.086 8.574 1.00 25.00 C ATOM 701 CD GLU A 47 32.617 26.724 9.005 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.536 27.559 8.805 1.00 25.00 O ATOM 703 OE2 GLU A 47 32.829 25.599 9.489 1.00 25.00 O ATOM 0 H GLU A 47 28.732 27.834 7.664 1.00 25.00 H new ATOM 0 HA GLU A 47 29.808 30.223 8.657 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.583 28.881 9.614 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.995 28.199 9.900 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.517 26.300 8.894 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.157 27.123 7.486 1.00 25.00 H new ATOM 710 N ALA A 48 31.247 29.089 5.967 1.00 25.00 N ATOM 711 CA ALA A 48 32.080 29.461 4.863 1.00 25.00 C ATOM 712 C ALA A 48 31.740 30.827 4.312 1.00 25.00 C ATOM 713 O ALA A 48 32.618 31.659 4.082 1.00 25.00 O ATOM 714 CB ALA A 48 31.943 28.421 3.799 1.00 25.00 C ATOM 0 H ALA A 48 30.705 28.239 5.810 1.00 25.00 H new ATOM 0 HA ALA A 48 33.110 29.521 5.214 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.571 28.686 2.948 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.256 27.454 4.193 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.903 28.363 3.479 1.00 25.00 H new ATOM 720 N LEU A 49 30.457 31.059 4.121 1.00 25.00 N ATOM 721 CA LEU A 49 29.991 32.325 3.607 1.00 25.00 C ATOM 722 C LEU A 49 30.275 33.437 4.616 1.00 25.00 C ATOM 723 O LEU A 49 30.669 34.533 4.241 1.00 25.00 O ATOM 724 CB LEU A 49 28.482 32.250 3.368 1.00 25.00 C ATOM 725 CG LEU A 49 27.898 33.474 2.664 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.018 33.280 1.178 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.453 33.684 3.067 1.00 25.00 C ATOM 0 H LEU A 49 29.718 30.383 4.316 1.00 25.00 H new ATOM 0 HA LEU A 49 30.510 32.540 2.673 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.263 31.364 2.773 1.00 25.00 H new ATOM 0 HB3 LEU A 49 27.979 32.122 4.327 1.00 25.00 H new ATOM 0 HG LEU A 49 28.452 34.365 2.959 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.604 34.147 0.663 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.068 33.165 0.910 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.468 32.386 0.882 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.056 34.560 2.555 1.00 25.00 H new ATOM 0 HD22 LEU A 49 25.867 32.807 2.792 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.394 33.836 4.145 1.00 25.00 H new ATOM 739 N LEU A 50 30.078 33.143 5.899 1.00 25.00 N ATOM 740 CA LEU A 50 30.251 34.148 6.959 1.00 25.00 C ATOM 741 C LEU A 50 31.696 34.605 7.023 1.00 25.00 C ATOM 742 O LEU A 50 31.986 35.751 7.336 1.00 25.00 O ATOM 743 CB LEU A 50 29.877 33.595 8.346 1.00 25.00 C ATOM 744 CG LEU A 50 28.556 32.840 8.553 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.293 32.643 10.027 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.360 33.479 7.863 1.00 25.00 C ATOM 0 H LEU A 50 29.799 32.221 6.235 1.00 25.00 H new ATOM 0 HA LEU A 50 29.589 34.977 6.710 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.681 32.927 8.654 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.879 34.436 9.039 1.00 25.00 H new ATOM 0 HG LEU A 50 28.680 31.870 8.072 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.354 32.107 10.160 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.106 32.066 10.468 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.229 33.614 10.518 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.467 32.885 8.058 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.215 34.489 8.247 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.540 33.521 6.789 1.00 25.00 H new ATOM 758 N SER A 51 32.600 33.681 6.733 1.00 25.00 N ATOM 759 CA SER A 51 34.016 33.958 6.748 1.00 25.00 C ATOM 760 C SER A 51 34.423 34.826 5.560 1.00 25.00 C ATOM 761 O SER A 51 35.452 35.490 5.593 1.00 25.00 O ATOM 762 CB SER A 51 34.757 32.645 6.670 1.00 25.00 C ATOM 763 OG SER A 51 34.410 31.793 7.752 1.00 25.00 O ATOM 0 H SER A 51 32.366 32.721 6.482 1.00 25.00 H new ATOM 0 HA SER A 51 34.260 34.496 7.664 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.527 32.150 5.726 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.831 32.830 6.680 1.00 25.00 H new ATOM 0 HG SER A 51 33.518 31.417 7.599 1.00 25.00 H new ATOM 769 N GLY A 52 33.639 34.765 4.490 1.00 25.00 N ATOM 770 CA GLY A 52 33.928 35.527 3.284 1.00 25.00 C ATOM 771 C GLY A 52 34.895 34.802 2.368 1.00 25.00 C ATOM 772 O GLY A 52 35.032 35.150 1.191 1.00 25.00 O ATOM 0 H GLY A 52 32.796 34.193 4.434 1.00 25.00 H new ATOM 0 HA2 GLY A 52 32.999 35.722 2.748 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.347 36.495 3.559 1.00 25.00 H new ATOM 776 N ASP A 53 35.556 33.788 2.905 1.00 25.00 N ATOM 777 CA ASP A 53 36.531 33.003 2.152 1.00 25.00 C ATOM 778 C ASP A 53 35.855 32.242 1.020 1.00 25.00 C ATOM 779 O ASP A 53 35.076 31.313 1.261 1.00 25.00 O ATOM 780 CB ASP A 53 37.210 31.963 3.042 1.00 25.00 C ATOM 781 CG ASP A 53 38.319 31.254 2.334 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.784 31.768 1.301 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.674 30.144 2.760 1.00 25.00 O ATOM 0 H ASP A 53 35.435 33.484 3.871 1.00 25.00 H new ATOM 0 HA ASP A 53 37.264 33.710 1.763 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.604 32.451 3.934 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.471 31.235 3.377 1.00 25.00 H new ATOM 788 N LEU A 54 36.177 32.594 -0.212 1.00 25.00 N ATOM 789 CA LEU A 54 35.638 31.871 -1.351 1.00 25.00 C ATOM 790 C LEU A 54 36.178 30.455 -1.342 1.00 25.00 C ATOM 791 O LEU A 54 35.472 29.534 -1.683 1.00 25.00 O ATOM 792 CB LEU A 54 36.013 32.559 -2.668 1.00 25.00 C ATOM 793 CG LEU A 54 35.480 31.951 -3.987 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.404 30.870 -4.563 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.039 31.416 -3.896 1.00 25.00 C ATOM 0 H LEU A 54 36.801 33.366 -0.448 1.00 25.00 H new ATOM 0 HA LEU A 54 34.551 31.857 -1.273 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.669 33.592 -2.614 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.101 32.589 -2.730 1.00 25.00 H new ATOM 0 HG LEU A 54 35.466 32.796 -4.675 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.977 30.481 -5.488 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.384 31.301 -4.769 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.508 30.059 -3.842 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.741 31.007 -4.861 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.989 30.633 -3.139 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.366 32.229 -3.623 1.00 25.00 H new ATOM 807 N GLU A 55 37.421 30.270 -0.945 1.00 25.00 N ATOM 808 CA GLU A 55 38.023 28.941 -0.985 1.00 25.00 C ATOM 809 C GLU A 55 37.241 27.970 -0.125 1.00 25.00 C ATOM 810 O GLU A 55 36.821 26.913 -0.594 1.00 25.00 O ATOM 811 CB GLU A 55 39.459 28.984 -0.488 1.00 25.00 C ATOM 812 CG GLU A 55 40.281 30.048 -1.138 1.00 25.00 C ATOM 813 CD GLU A 55 40.361 29.882 -2.649 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.785 28.802 -3.115 1.00 25.00 O ATOM 815 OE2 GLU A 55 39.949 30.819 -3.370 1.00 25.00 O ATOM 0 H GLU A 55 38.032 31.008 -0.595 1.00 25.00 H new ATOM 0 HA GLU A 55 38.005 28.606 -2.022 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.458 29.144 0.590 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.926 28.015 -0.666 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.856 31.024 -0.905 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.288 30.031 -0.720 1.00 25.00 H new ATOM 822 N LYS A 56 37.002 28.337 1.126 1.00 25.00 N ATOM 823 CA LYS A 56 36.248 27.474 2.017 1.00 25.00 C ATOM 824 C LYS A 56 34.837 27.348 1.488 1.00 25.00 C ATOM 825 O LYS A 56 34.338 26.243 1.466 1.00 25.00 O ATOM 826 CB LYS A 56 36.331 27.908 3.507 1.00 25.00 C ATOM 827 CG LYS A 56 35.406 28.896 4.001 1.00 25.00 C ATOM 828 CD LYS A 56 35.911 29.450 5.353 1.00 25.00 C ATOM 829 CE LYS A 56 35.295 28.699 6.538 1.00 25.00 C ATOM 830 NZ LYS A 56 35.740 29.172 7.886 1.00 25.00 N ATOM 0 H LYS A 56 37.315 29.215 1.541 1.00 25.00 H new ATOM 0 HA LYS A 56 36.700 26.482 2.023 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.212 27.013 4.117 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.339 28.284 3.684 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.305 29.707 3.279 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.417 28.454 4.124 1.00 25.00 H new ATOM 0 HD2 LYS A 56 36.997 29.370 5.396 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.666 30.510 5.427 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.210 28.785 6.479 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.536 27.640 6.443 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.299 28.585 8.623 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.775 29.096 7.956 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.456 30.164 8.017 1.00 25.00 H new ATOM 844 N PHE A 57 34.237 28.424 0.976 1.00 25.00 N ATOM 845 CA PHE A 57 32.898 28.350 0.385 1.00 25.00 C ATOM 846 C PHE A 57 32.825 27.379 -0.788 1.00 25.00 C ATOM 847 O PHE A 57 31.978 26.518 -0.794 1.00 25.00 O ATOM 848 CB PHE A 57 32.424 29.745 -0.039 1.00 25.00 C ATOM 849 CG PHE A 57 31.005 29.772 -0.534 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.726 29.640 -1.907 1.00 25.00 C ATOM 851 CD2 PHE A 57 29.935 29.930 0.368 1.00 25.00 C ATOM 852 CE1 PHE A 57 29.393 29.664 -2.380 1.00 25.00 C ATOM 853 CE2 PHE A 57 28.596 29.954 -0.099 1.00 25.00 C ATOM 854 CZ PHE A 57 28.330 29.821 -1.477 1.00 25.00 C ATOM 0 H PHE A 57 34.655 29.354 0.958 1.00 25.00 H new ATOM 0 HA PHE A 57 32.231 27.962 1.155 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.518 30.425 0.808 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.081 30.120 -0.823 1.00 25.00 H new ATOM 0 HD1 PHE A 57 31.539 29.519 -2.608 1.00 25.00 H new ATOM 0 HD2 PHE A 57 30.136 30.034 1.424 1.00 25.00 H new ATOM 0 HE1 PHE A 57 29.193 29.561 -3.436 1.00 25.00 H new ATOM 0 HE2 PHE A 57 27.781 30.074 0.600 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.312 29.840 -1.837 1.00 25.00 H new ATOM 864 N SER A 58 33.720 27.485 -1.754 1.00 25.00 N ATOM 865 CA SER A 58 33.730 26.589 -2.906 1.00 25.00 C ATOM 866 C SER A 58 34.024 25.146 -2.510 1.00 25.00 C ATOM 867 O SER A 58 33.458 24.203 -3.064 1.00 25.00 O ATOM 868 CB SER A 58 34.794 27.054 -3.904 1.00 25.00 C ATOM 869 OG SER A 58 34.764 26.268 -5.081 1.00 25.00 O ATOM 0 H SER A 58 34.458 28.189 -1.766 1.00 25.00 H new ATOM 0 HA SER A 58 32.737 26.621 -3.354 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.627 28.101 -4.157 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.781 26.990 -3.445 1.00 25.00 H new ATOM 0 HG SER A 58 35.451 26.585 -5.704 1.00 25.00 H new ATOM 875 N ARG A 59 34.925 24.974 -1.556 1.00 25.00 N ATOM 876 CA ARG A 59 35.339 23.643 -1.117 1.00 25.00 C ATOM 877 C ARG A 59 34.180 22.954 -0.421 1.00 25.00 C ATOM 878 O ARG A 59 33.884 21.798 -0.683 1.00 25.00 O ATOM 879 CB ARG A 59 36.549 23.773 -0.183 1.00 25.00 C ATOM 880 CG ARG A 59 37.178 22.447 0.279 1.00 25.00 C ATOM 881 CD ARG A 59 36.545 21.888 1.554 1.00 25.00 C ATOM 882 NE ARG A 59 36.689 22.797 2.704 1.00 25.00 N ATOM 883 CZ ARG A 59 36.184 22.582 3.916 1.00 25.00 C ATOM 884 NH1 ARG A 59 35.502 21.508 4.216 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.376 23.474 4.847 1.00 25.00 N ATOM 0 H ARG A 59 35.388 25.740 -1.067 1.00 25.00 H new ATOM 0 HA ARG A 59 35.628 23.037 -1.976 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.315 24.361 -0.689 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.246 24.337 0.699 1.00 25.00 H new ATOM 0 HG2 ARG A 59 37.082 21.710 -0.519 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.244 22.598 0.447 1.00 25.00 H new ATOM 0 HD2 ARG A 59 35.487 21.698 1.376 1.00 25.00 H new ATOM 0 HD3 ARG A 59 37.005 20.929 1.794 1.00 25.00 H new ATOM 0 HE ARG A 59 37.217 23.658 2.560 1.00 25.00 H new ATOM 0 HH11 ARG A 59 35.339 20.793 3.507 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.133 21.385 5.159 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.906 24.321 4.641 1.00 25.00 H new ATOM 0 HH22 ARG A 59 35.996 23.325 5.782 1.00 25.00 H new ATOM 899 N VAL A 60 33.503 23.677 0.451 1.00 25.00 N ATOM 900 CA VAL A 60 32.374 23.112 1.167 1.00 25.00 C ATOM 901 C VAL A 60 31.212 22.942 0.179 1.00 25.00 C ATOM 902 O VAL A 60 30.445 21.999 0.285 1.00 25.00 O ATOM 903 CB VAL A 60 32.025 23.920 2.462 1.00 25.00 C ATOM 904 CG1 VAL A 60 31.457 25.213 2.171 1.00 25.00 C ATOM 905 CG2 VAL A 60 31.111 23.106 3.372 1.00 25.00 C ATOM 0 H VAL A 60 33.712 24.649 0.680 1.00 25.00 H new ATOM 0 HA VAL A 60 32.625 22.124 1.553 1.00 25.00 H new ATOM 0 HB VAL A 60 32.962 24.106 2.988 1.00 25.00 H new ATOM 0 HG11 VAL A 60 31.234 25.731 3.104 1.00 25.00 H new ATOM 0 HG12 VAL A 60 32.169 25.801 1.591 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.539 25.086 1.598 1.00 25.00 H new ATOM 0 HG21 VAL A 60 30.880 23.684 4.267 1.00 25.00 H new ATOM 0 HG22 VAL A 60 30.187 22.870 2.843 1.00 25.00 H new ATOM 0 HG23 VAL A 60 31.612 22.181 3.657 1.00 25.00 H new ATOM 915 N LEU A 61 31.085 23.845 -0.787 1.00 25.00 N ATOM 916 CA LEU A 61 30.024 23.757 -1.794 1.00 25.00 C ATOM 917 C LEU A 61 30.078 22.427 -2.538 1.00 25.00 C ATOM 918 O LEU A 61 29.053 21.775 -2.702 1.00 25.00 O ATOM 919 CB LEU A 61 30.151 24.902 -2.811 1.00 25.00 C ATOM 920 CG LEU A 61 28.938 25.150 -3.718 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.131 26.277 -3.132 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.330 25.541 -5.142 1.00 25.00 C ATOM 0 H LEU A 61 31.703 24.649 -0.897 1.00 25.00 H new ATOM 0 HA LEU A 61 29.071 23.833 -1.271 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.362 25.821 -2.265 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.015 24.702 -3.444 1.00 25.00 H new ATOM 0 HG LEU A 61 28.374 24.219 -3.771 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.263 26.469 -3.763 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.798 26.004 -2.130 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.746 27.175 -3.078 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.430 25.703 -5.736 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.919 26.458 -5.118 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.920 24.741 -5.589 1.00 25.00 H new ATOM 934 N VAL A 62 31.254 22.010 -2.984 1.00 25.00 N ATOM 935 CA VAL A 62 31.359 20.754 -3.730 1.00 25.00 C ATOM 936 C VAL A 62 31.156 19.550 -2.807 1.00 25.00 C ATOM 937 O VAL A 62 30.520 18.575 -3.190 1.00 25.00 O ATOM 938 CB VAL A 62 32.690 20.658 -4.550 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.934 20.594 -3.661 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.648 19.452 -5.478 1.00 25.00 C ATOM 0 H VAL A 62 32.134 22.507 -2.849 1.00 25.00 H new ATOM 0 HA VAL A 62 30.554 20.742 -4.465 1.00 25.00 H new ATOM 0 HB VAL A 62 32.766 21.574 -5.136 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.825 20.529 -4.286 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.988 21.492 -3.045 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.877 19.716 -3.018 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.578 19.395 -6.043 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.525 18.543 -4.889 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.810 19.553 -6.168 1.00 25.00 H new ATOM 950 N GLU A 63 31.614 19.643 -1.571 1.00 25.00 N ATOM 951 CA GLU A 63 31.360 18.584 -0.577 1.00 25.00 C ATOM 952 C GLU A 63 29.855 18.423 -0.366 1.00 25.00 C ATOM 953 O GLU A 63 29.325 17.309 -0.351 1.00 25.00 O ATOM 954 CB GLU A 63 31.998 18.940 0.766 1.00 25.00 C ATOM 955 CG GLU A 63 33.510 18.807 0.806 1.00 25.00 C ATOM 956 CD GLU A 63 34.095 19.352 2.105 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.291 19.118 2.373 1.00 25.00 O ATOM 958 OE2 GLU A 63 33.376 20.062 2.840 1.00 25.00 O ATOM 0 H GLU A 63 32.161 20.430 -1.222 1.00 25.00 H new ATOM 0 HA GLU A 63 31.793 17.657 -0.952 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.730 19.966 1.019 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.570 18.299 1.537 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.785 17.758 0.696 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.944 19.341 -0.040 1.00 25.00 H new