USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=4 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 70:sc= 1.75 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -170:sc= 0.59 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.76 K(o=-0.76,f=-6.2!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0814 K(o=-0.081,f=-3.3!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0534 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.878 29.112 -7.737 1.00 25.00 N ATOM 273 CA PRO A 21 30.652 29.431 -6.322 1.00 25.00 C ATOM 274 C PRO A 21 30.917 30.893 -6.007 1.00 25.00 C ATOM 275 O PRO A 21 30.389 31.423 -5.043 1.00 25.00 O ATOM 276 CB PRO A 21 31.676 28.540 -5.599 1.00 25.00 C ATOM 277 CG PRO A 21 32.695 28.258 -6.591 1.00 25.00 C ATOM 278 CD PRO A 21 31.949 28.112 -7.878 1.00 25.00 C ATOM 0 HA PRO A 21 29.618 29.258 -6.024 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.099 29.048 -4.732 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.214 27.622 -5.236 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.426 29.065 -6.647 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.243 27.348 -6.347 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.583 28.315 -8.741 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.551 27.105 -8.005 1.00 25.00 H new ATOM 286 N ALA A 22 31.718 31.555 -6.832 1.00 25.00 N ATOM 287 CA ALA A 22 32.015 32.966 -6.643 1.00 25.00 C ATOM 288 C ALA A 22 30.732 33.793 -6.730 1.00 25.00 C ATOM 289 O ALA A 22 30.508 34.690 -5.917 1.00 25.00 O ATOM 290 CB ALA A 22 33.025 33.425 -7.696 1.00 25.00 C ATOM 0 H ALA A 22 32.174 31.134 -7.641 1.00 25.00 H new ATOM 0 HA ALA A 22 32.448 33.112 -5.653 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.246 34.483 -7.552 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.943 32.846 -7.596 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.607 33.274 -8.691 1.00 25.00 H new ATOM 296 N LEU A 23 29.896 33.473 -7.708 1.00 25.00 N ATOM 297 CA LEU A 23 28.649 34.197 -7.928 1.00 25.00 C ATOM 298 C LEU A 23 27.638 33.867 -6.841 1.00 25.00 C ATOM 299 O LEU A 23 26.946 34.744 -6.347 1.00 25.00 O ATOM 300 CB LEU A 23 28.056 33.842 -9.298 1.00 25.00 C ATOM 301 CG LEU A 23 28.901 34.194 -10.533 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.157 33.737 -11.788 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.203 35.684 -10.622 1.00 25.00 C ATOM 0 H LEU A 23 30.059 32.711 -8.367 1.00 25.00 H new ATOM 0 HA LEU A 23 28.871 35.264 -7.897 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.860 32.770 -9.315 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.093 34.344 -9.391 1.00 25.00 H new ATOM 0 HG LEU A 23 29.858 33.680 -10.446 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.748 33.982 -12.671 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.999 32.659 -11.745 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.193 34.243 -11.844 1.00 25.00 H new ATOM 0 HD21 LEU A 23 29.802 35.881 -11.511 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.268 36.242 -10.683 1.00 25.00 H new ATOM 0 HD23 LEU A 23 29.755 35.997 -9.736 1.00 25.00 H new ATOM 315 N LEU A 24 27.562 32.601 -6.455 1.00 25.00 N ATOM 316 CA LEU A 24 26.615 32.201 -5.416 1.00 25.00 C ATOM 317 C LEU A 24 26.988 32.825 -4.081 1.00 25.00 C ATOM 318 O LEU A 24 26.128 33.302 -3.363 1.00 25.00 O ATOM 319 CB LEU A 24 26.552 30.678 -5.289 1.00 25.00 C ATOM 320 CG LEU A 24 25.499 30.104 -4.318 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.127 30.783 -4.419 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.335 28.621 -4.599 1.00 25.00 C ATOM 0 H LEU A 24 28.131 31.844 -6.835 1.00 25.00 H new ATOM 0 HA LEU A 24 25.628 32.562 -5.706 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.364 30.262 -6.279 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.533 30.322 -4.975 1.00 25.00 H new ATOM 0 HG LEU A 24 25.866 30.290 -3.309 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.441 30.325 -3.706 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.229 31.845 -4.194 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.735 30.662 -5.429 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.593 28.202 -3.919 1.00 25.00 H new ATOM 0 HD22 LEU A 24 25.005 28.480 -5.628 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.289 28.115 -4.451 1.00 25.00 H new ATOM 334 N ARG A 25 28.278 32.870 -3.774 1.00 25.00 N ATOM 335 CA ARG A 25 28.760 33.518 -2.557 1.00 25.00 C ATOM 336 C ARG A 25 28.334 34.977 -2.572 1.00 25.00 C ATOM 337 O ARG A 25 27.880 35.498 -1.570 1.00 25.00 O ATOM 338 CB ARG A 25 30.290 33.415 -2.511 1.00 25.00 C ATOM 339 CG ARG A 25 30.955 34.061 -1.293 1.00 25.00 C ATOM 340 CD ARG A 25 32.350 34.556 -1.634 1.00 25.00 C ATOM 341 NE ARG A 25 32.280 35.593 -2.676 1.00 25.00 N ATOM 342 CZ ARG A 25 33.184 36.538 -2.901 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.288 36.639 -2.196 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.964 37.404 -3.852 1.00 25.00 N ATOM 0 H ARG A 25 29.014 32.464 -4.353 1.00 25.00 H new ATOM 0 HA ARG A 25 28.341 33.032 -1.676 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.567 32.361 -2.539 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.696 33.875 -3.412 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.346 34.893 -0.940 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.010 33.339 -0.478 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.829 34.958 -0.742 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.965 33.725 -1.979 1.00 25.00 H new ATOM 0 HE ARG A 25 31.460 35.585 -3.282 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.475 35.976 -1.444 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.958 37.380 -2.401 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.110 37.347 -4.406 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.646 38.138 -4.041 1.00 25.00 H new ATOM 358 N ASP A 26 28.487 35.630 -3.711 1.00 25.00 N ATOM 359 CA ASP A 26 28.157 37.049 -3.824 1.00 25.00 C ATOM 360 C ASP A 26 26.657 37.289 -3.644 1.00 25.00 C ATOM 361 O ASP A 26 26.242 38.156 -2.878 1.00 25.00 O ATOM 362 CB ASP A 26 28.617 37.580 -5.179 1.00 25.00 C ATOM 363 CG ASP A 26 28.856 39.068 -5.163 1.00 25.00 C ATOM 364 OD1 ASP A 26 29.649 39.520 -4.307 1.00 25.00 O ATOM 365 OD2 ASP A 26 28.340 39.772 -6.051 1.00 25.00 O ATOM 0 H ASP A 26 28.836 35.206 -4.571 1.00 25.00 H new ATOM 0 HA ASP A 26 28.677 37.584 -3.029 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.535 37.071 -5.473 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.866 37.344 -5.933 1.00 25.00 H new ATOM 370 N MET A 27 25.842 36.472 -4.303 1.00 25.00 N ATOM 371 CA MET A 27 24.384 36.575 -4.187 1.00 25.00 C ATOM 372 C MET A 27 23.944 36.322 -2.758 1.00 25.00 C ATOM 373 O MET A 27 23.080 37.007 -2.236 1.00 25.00 O ATOM 374 CB MET A 27 23.707 35.560 -5.110 1.00 25.00 C ATOM 375 CG MET A 27 22.201 35.746 -5.205 1.00 25.00 C ATOM 376 SD MET A 27 21.423 34.552 -6.314 1.00 25.00 S ATOM 377 CE MET A 27 21.169 33.141 -5.206 1.00 25.00 C ATOM 0 H MET A 27 26.163 35.729 -4.924 1.00 25.00 H new ATOM 0 HA MET A 27 24.091 37.584 -4.478 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.140 35.641 -6.107 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.920 34.553 -4.750 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.764 35.652 -4.211 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.985 36.756 -5.554 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.696 32.327 -5.756 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.131 32.805 -4.818 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.528 33.440 -4.377 1.00 25.00 H new ATOM 387 N LEU A 28 24.566 35.346 -2.120 1.00 25.00 N ATOM 388 CA LEU A 28 24.257 35.007 -0.740 1.00 25.00 C ATOM 389 C LEU A 28 24.585 36.143 0.210 1.00 25.00 C ATOM 390 O LEU A 28 23.805 36.456 1.093 1.00 25.00 O ATOM 391 CB LEU A 28 25.056 33.788 -0.328 1.00 25.00 C ATOM 392 CG LEU A 28 24.315 32.476 -0.552 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.291 31.340 -0.512 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.269 32.309 0.526 1.00 25.00 C ATOM 0 H LEU A 28 25.295 34.769 -2.540 1.00 25.00 H new ATOM 0 HA LEU A 28 23.187 34.809 -0.683 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.991 33.769 -0.888 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.318 33.874 0.727 1.00 25.00 H new ATOM 0 HG LEU A 28 23.826 32.484 -1.526 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.762 30.400 -0.672 1.00 25.00 H new ATOM 0 HD12 LEU A 28 26.038 31.474 -1.295 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.784 31.318 0.460 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.734 31.372 0.372 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.752 32.295 1.503 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.565 33.140 0.482 1.00 25.00 H new ATOM 406 N LEU A 29 25.738 36.764 0.019 1.00 25.00 N ATOM 407 CA LEU A 29 26.161 37.866 0.885 1.00 25.00 C ATOM 408 C LEU A 29 25.205 39.042 0.731 1.00 25.00 C ATOM 409 O LEU A 29 24.894 39.739 1.695 1.00 25.00 O ATOM 410 CB LEU A 29 27.586 38.314 0.525 1.00 25.00 C ATOM 411 CG LEU A 29 28.713 37.365 0.961 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.002 37.711 0.213 1.00 25.00 C ATOM 413 CD2 LEU A 29 28.954 37.434 2.472 1.00 25.00 C ATOM 0 H LEU A 29 26.398 36.530 -0.722 1.00 25.00 H new ATOM 0 HA LEU A 29 26.149 37.519 1.918 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.644 38.445 -0.556 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.764 39.291 0.974 1.00 25.00 H new ATOM 0 HG LEU A 29 28.408 36.348 0.716 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.797 37.035 0.526 1.00 25.00 H new ATOM 0 HD12 LEU A 29 29.839 37.607 -0.860 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.289 38.738 0.439 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.758 36.750 2.744 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.233 38.450 2.750 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.043 37.151 2.999 1.00 25.00 H new ATOM 425 N ALA A 30 24.724 39.238 -0.486 1.00 25.00 N ATOM 426 CA ALA A 30 23.785 40.310 -0.789 1.00 25.00 C ATOM 427 C ALA A 30 22.345 39.981 -0.361 1.00 25.00 C ATOM 428 O ALA A 30 21.490 40.866 -0.338 1.00 25.00 O ATOM 429 CB ALA A 30 23.826 40.605 -2.297 1.00 25.00 C ATOM 0 H ALA A 30 24.971 38.662 -1.290 1.00 25.00 H new ATOM 0 HA ALA A 30 24.092 41.186 -0.217 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.125 41.407 -2.530 1.00 25.00 H new ATOM 0 HB2 ALA A 30 24.833 40.910 -2.581 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.549 39.708 -2.851 1.00 25.00 H new ATOM 435 N ASN A 31 22.061 38.718 -0.064 1.00 25.00 N ATOM 436 CA ASN A 31 20.693 38.291 0.237 1.00 25.00 C ATOM 437 C ASN A 31 20.519 37.921 1.710 1.00 25.00 C ATOM 438 O ASN A 31 20.838 36.805 2.125 1.00 25.00 O ATOM 439 CB ASN A 31 20.314 37.103 -0.646 1.00 25.00 C ATOM 440 CG ASN A 31 18.839 36.865 -0.681 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.156 36.889 0.344 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.326 36.647 -1.857 1.00 25.00 N ATOM 0 H ASN A 31 22.755 37.971 -0.024 1.00 25.00 H new ATOM 0 HA ASN A 31 20.032 39.132 0.029 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.675 37.278 -1.660 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.815 36.207 -0.279 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.323 36.488 -1.954 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.927 36.635 -2.681 1.00 25.00 H new ATOM 449 N PRO A 32 19.974 38.845 2.524 1.00 25.00 N ATOM 450 CA PRO A 32 19.878 38.543 3.956 1.00 25.00 C ATOM 451 C PRO A 32 18.933 37.393 4.315 1.00 25.00 C ATOM 452 O PRO A 32 19.092 36.770 5.361 1.00 25.00 O ATOM 453 CB PRO A 32 19.398 39.869 4.551 1.00 25.00 C ATOM 454 CG PRO A 32 18.656 40.520 3.439 1.00 25.00 C ATOM 455 CD PRO A 32 19.469 40.200 2.229 1.00 25.00 C ATOM 0 HA PRO A 32 20.832 38.189 4.346 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.756 39.708 5.417 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.235 40.482 4.884 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.642 40.130 3.353 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.572 41.596 3.591 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.867 40.218 1.321 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.282 40.913 2.087 1.00 25.00 H new ATOM 463 N HIS A 33 17.958 37.101 3.467 1.00 25.00 N ATOM 464 CA HIS A 33 17.030 36.005 3.737 1.00 25.00 C ATOM 465 C HIS A 33 17.675 34.653 3.449 1.00 25.00 C ATOM 466 O HIS A 33 17.542 33.706 4.220 1.00 25.00 O ATOM 467 CB HIS A 33 15.779 36.160 2.867 1.00 25.00 C ATOM 468 CG HIS A 33 14.657 35.255 3.268 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.603 35.635 4.060 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.420 33.946 2.968 1.00 25.00 C ATOM 471 CE1 HIS A 33 12.798 34.587 4.214 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.250 33.530 3.573 1.00 25.00 N ATOM 0 H HIS A 33 17.787 37.600 2.594 1.00 25.00 H new ATOM 0 HA HIS A 33 16.760 36.044 4.792 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.437 37.194 2.917 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.042 35.961 1.828 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.053 33.327 2.350 1.00 25.00 H new ATOM 0 HE1 HIS A 33 11.887 34.602 4.793 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.827 32.603 3.532 1.00 25.00 H new ATOM 480 N GLU A 34 18.366 34.563 2.325 1.00 25.00 N ATOM 481 CA GLU A 34 18.949 33.300 1.888 1.00 25.00 C ATOM 482 C GLU A 34 20.105 32.950 2.800 1.00 25.00 C ATOM 483 O GLU A 34 20.242 31.827 3.246 1.00 25.00 O ATOM 484 CB GLU A 34 19.437 33.425 0.449 1.00 25.00 C ATOM 485 CG GLU A 34 18.803 32.443 -0.508 1.00 25.00 C ATOM 486 CD GLU A 34 19.244 30.993 -0.267 1.00 25.00 C ATOM 487 OE1 GLU A 34 20.453 30.751 -0.075 1.00 25.00 O ATOM 488 OE2 GLU A 34 18.374 30.099 -0.259 1.00 25.00 O ATOM 0 H GLU A 34 18.538 35.348 1.697 1.00 25.00 H new ATOM 0 HA GLU A 34 18.197 32.512 1.934 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.239 34.437 0.097 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.518 33.287 0.431 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.719 32.506 -0.417 1.00 25.00 H new ATOM 0 HG3 GLU A 34 19.055 32.727 -1.530 1.00 25.00 H new ATOM 495 N LEU A 35 20.899 33.948 3.146 1.00 25.00 N ATOM 496 CA LEU A 35 22.028 33.733 4.033 1.00 25.00 C ATOM 497 C LEU A 35 21.551 33.260 5.408 1.00 25.00 C ATOM 498 O LEU A 35 22.259 32.540 6.104 1.00 25.00 O ATOM 499 CB LEU A 35 22.887 34.992 4.072 1.00 25.00 C ATOM 500 CG LEU A 35 22.636 36.166 5.019 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.903 35.883 6.491 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.559 37.263 4.538 1.00 25.00 C ATOM 0 H LEU A 35 20.784 34.910 2.828 1.00 25.00 H new ATOM 0 HA LEU A 35 22.662 32.931 3.655 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.907 34.659 4.262 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.869 35.405 3.063 1.00 25.00 H new ATOM 0 HG LEU A 35 21.577 36.421 4.986 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.695 36.778 7.077 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.259 35.071 6.828 1.00 25.00 H new ATOM 0 HD13 LEU A 35 23.947 35.597 6.623 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.438 38.143 5.169 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.592 36.919 4.590 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.314 37.519 3.507 1.00 25.00 H new ATOM 514 N SER A 36 20.343 33.663 5.790 1.00 25.00 N ATOM 515 CA SER A 36 19.743 33.279 7.065 1.00 25.00 C ATOM 516 C SER A 36 19.258 31.833 7.028 1.00 25.00 C ATOM 517 O SER A 36 19.502 31.071 7.952 1.00 25.00 O ATOM 518 CB SER A 36 18.575 34.197 7.429 1.00 25.00 C ATOM 519 OG SER A 36 18.170 33.982 8.774 1.00 25.00 O ATOM 0 H SER A 36 19.750 34.268 5.222 1.00 25.00 H new ATOM 0 HA SER A 36 20.517 33.377 7.826 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.868 35.238 7.294 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.737 34.012 6.757 1.00 25.00 H new ATOM 0 HG SER A 36 17.423 34.579 8.990 1.00 25.00 H new ATOM 525 N LEU A 37 18.603 31.429 5.953 1.00 25.00 N ATOM 526 CA LEU A 37 18.125 30.053 5.860 1.00 25.00 C ATOM 527 C LEU A 37 19.291 29.138 5.732 1.00 25.00 C ATOM 528 O LEU A 37 19.268 28.004 6.171 1.00 25.00 O ATOM 529 CB LEU A 37 17.165 29.886 4.701 1.00 25.00 C ATOM 530 CG LEU A 37 17.532 29.819 3.211 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.114 28.482 2.803 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.252 30.091 2.415 1.00 25.00 C ATOM 0 H LEU A 37 18.391 32.017 5.146 1.00 25.00 H new ATOM 0 HA LEU A 37 17.575 29.803 6.767 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.616 28.967 4.907 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.455 30.708 4.790 1.00 25.00 H new ATOM 0 HG LEU A 37 18.305 30.560 3.008 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.353 28.498 1.740 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.021 28.290 3.376 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.387 27.694 3.000 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.472 30.052 1.348 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.504 29.336 2.659 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.868 31.079 2.670 1.00 25.00 H new ATOM 544 N LEU A 38 20.331 29.658 5.131 1.00 25.00 N ATOM 545 CA LEU A 38 21.544 28.918 4.955 1.00 25.00 C ATOM 546 C LEU A 38 22.203 28.603 6.286 1.00 25.00 C ATOM 547 O LEU A 38 22.594 27.477 6.514 1.00 25.00 O ATOM 548 CB LEU A 38 22.465 29.722 4.074 1.00 25.00 C ATOM 549 CG LEU A 38 23.729 28.967 3.648 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.362 27.862 2.685 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.751 29.886 3.025 1.00 25.00 C ATOM 0 H LEU A 38 20.356 30.605 4.752 1.00 25.00 H new ATOM 0 HA LEU A 38 21.319 27.961 4.484 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.920 30.032 3.182 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.756 30.630 4.602 1.00 25.00 H new ATOM 0 HG LEU A 38 24.181 28.538 4.542 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.263 27.327 2.384 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.674 27.170 3.171 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.884 28.291 1.804 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.631 29.310 2.738 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.323 30.360 2.142 1.00 25.00 H new ATOM 0 HD23 LEU A 38 25.038 30.652 3.745 1.00 25.00 H new ATOM 563 N LYS A 39 22.295 29.567 7.184 1.00 25.00 N ATOM 564 CA LYS A 39 22.860 29.279 8.514 1.00 25.00 C ATOM 565 C LYS A 39 21.935 28.406 9.352 1.00 25.00 C ATOM 566 O LYS A 39 22.408 27.659 10.197 1.00 25.00 O ATOM 567 CB LYS A 39 23.261 30.553 9.274 1.00 25.00 C ATOM 568 CG LYS A 39 22.201 31.648 9.327 1.00 25.00 C ATOM 569 CD LYS A 39 22.561 32.778 10.275 1.00 25.00 C ATOM 570 CE LYS A 39 23.674 33.648 9.698 1.00 25.00 C ATOM 571 NZ LYS A 39 23.962 34.818 10.593 1.00 25.00 N ATOM 0 H LYS A 39 21.999 30.532 7.036 1.00 25.00 H new ATOM 0 HA LYS A 39 23.775 28.713 8.336 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.525 30.278 10.295 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.159 30.963 8.812 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.056 32.054 8.326 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.251 31.212 9.635 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.680 33.390 10.467 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.878 32.366 11.233 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.578 33.052 9.571 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.386 34.005 8.709 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.722 35.394 10.178 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 23.104 35.398 10.693 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 24.259 34.475 11.529 1.00 25.00 H new ATOM 585 N GLU A 40 20.642 28.455 9.086 1.00 25.00 N ATOM 586 CA GLU A 40 19.701 27.585 9.790 1.00 25.00 C ATOM 587 C GLU A 40 19.790 26.147 9.282 1.00 25.00 C ATOM 588 O GLU A 40 19.875 25.202 10.060 1.00 25.00 O ATOM 589 CB GLU A 40 18.266 28.064 9.566 1.00 25.00 C ATOM 590 CG GLU A 40 17.875 29.286 10.373 1.00 25.00 C ATOM 591 CD GLU A 40 16.473 29.764 10.021 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.653 28.932 9.553 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.195 30.969 10.184 1.00 25.00 O ATOM 0 H GLU A 40 20.218 29.077 8.398 1.00 25.00 H new ATOM 0 HA GLU A 40 19.961 27.621 10.848 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.132 28.286 8.507 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.583 27.250 9.810 1.00 25.00 H new ATOM 0 HG2 GLU A 40 17.924 29.052 11.436 1.00 25.00 H new ATOM 0 HG3 GLU A 40 18.590 30.088 10.190 1.00 25.00 H new ATOM 600 N ARG A 41 19.689 25.978 7.970 1.00 25.00 N ATOM 601 CA ARG A 41 19.579 24.639 7.374 1.00 25.00 C ATOM 602 C ARG A 41 20.876 24.009 6.898 1.00 25.00 C ATOM 603 O ARG A 41 20.958 22.796 6.743 1.00 25.00 O ATOM 604 CB ARG A 41 18.594 24.703 6.214 1.00 25.00 C ATOM 605 CG ARG A 41 17.228 25.194 6.674 1.00 25.00 C ATOM 606 CD ARG A 41 16.121 24.867 5.699 1.00 25.00 C ATOM 607 NE ARG A 41 14.835 25.371 6.213 1.00 25.00 N ATOM 608 CZ ARG A 41 13.635 25.030 5.760 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.473 24.182 4.772 1.00 25.00 N ATOM 610 NH2 ARG A 41 12.576 25.555 6.310 1.00 25.00 N ATOM 0 H ARG A 41 19.680 26.743 7.295 1.00 25.00 H new ATOM 0 HA ARG A 41 19.239 23.990 8.181 1.00 25.00 H new ATOM 0 HB2 ARG A 41 18.981 25.368 5.442 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.495 23.715 5.763 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.995 24.749 7.641 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.267 26.273 6.821 1.00 25.00 H new ATOM 0 HD2 ARG A 41 16.335 25.315 4.729 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.065 23.789 5.547 1.00 25.00 H new ATOM 0 HE ARG A 41 14.870 26.039 6.983 1.00 25.00 H new ATOM 0 HH11 ARG A 41 14.286 23.760 4.324 1.00 25.00 H new ATOM 0 HH12 ARG A 41 12.534 23.945 4.452 1.00 25.00 H new ATOM 0 HH21 ARG A 41 12.676 26.219 7.078 1.00 25.00 H new ATOM 0 HH22 ARG A 41 11.647 25.302 5.972 1.00 25.00 H new ATOM 624 N ASN A 42 21.881 24.827 6.651 1.00 25.00 N ATOM 625 CA ASN A 42 23.200 24.348 6.211 1.00 25.00 C ATOM 626 C ASN A 42 24.364 25.038 6.937 1.00 25.00 C ATOM 627 O ASN A 42 25.161 25.748 6.306 1.00 25.00 O ATOM 628 CB ASN A 42 23.369 24.580 4.711 1.00 25.00 C ATOM 629 CG ASN A 42 24.483 23.759 4.126 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.167 23.031 4.816 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.659 23.864 2.845 1.00 25.00 N ATOM 0 H ASN A 42 21.818 25.841 6.746 1.00 25.00 H new ATOM 0 HA ASN A 42 23.232 23.285 6.452 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.436 24.338 4.201 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.566 25.637 4.530 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.392 23.324 2.385 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.064 24.486 2.298 1.00 25.00 H new ATOM 638 N PRO A 43 24.501 24.825 8.259 1.00 25.00 N ATOM 639 CA PRO A 43 25.611 25.533 8.917 1.00 25.00 C ATOM 640 C PRO A 43 27.048 25.333 8.366 1.00 25.00 C ATOM 641 O PRO A 43 27.806 26.302 8.356 1.00 25.00 O ATOM 642 CB PRO A 43 25.487 25.090 10.385 1.00 25.00 C ATOM 643 CG PRO A 43 24.677 23.839 10.356 1.00 25.00 C ATOM 644 CD PRO A 43 23.719 24.028 9.223 1.00 25.00 C ATOM 0 HA PRO A 43 25.502 26.602 8.736 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.468 24.912 10.826 1.00 25.00 H new ATOM 0 HB3 PRO A 43 25.002 25.858 10.987 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.307 22.964 10.199 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.150 23.687 11.298 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.404 23.075 8.798 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.816 24.550 9.540 1.00 25.00 H new ATOM 652 N PRO A 44 27.433 24.129 7.858 1.00 25.00 N ATOM 653 CA PRO A 44 28.818 24.139 7.359 1.00 25.00 C ATOM 654 C PRO A 44 29.064 24.999 6.107 1.00 25.00 C ATOM 655 O PRO A 44 30.146 25.561 5.947 1.00 25.00 O ATOM 656 CB PRO A 44 29.088 22.657 7.062 1.00 25.00 C ATOM 657 CG PRO A 44 27.777 22.105 6.745 1.00 25.00 C ATOM 658 CD PRO A 44 26.840 22.783 7.700 1.00 25.00 C ATOM 0 HA PRO A 44 29.483 24.593 8.093 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.781 22.539 6.229 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.533 22.155 7.921 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.502 22.306 5.710 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.761 21.023 6.875 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.827 22.834 7.302 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.783 22.254 8.651 1.00 25.00 H new ATOM 666 N LEU A 45 28.086 25.133 5.214 1.00 25.00 N ATOM 667 CA LEU A 45 28.277 26.019 4.062 1.00 25.00 C ATOM 668 C LEU A 45 28.136 27.453 4.529 1.00 25.00 C ATOM 669 O LEU A 45 28.821 28.354 4.047 1.00 25.00 O ATOM 670 CB LEU A 45 27.283 25.721 2.942 1.00 25.00 C ATOM 671 CG LEU A 45 27.492 26.499 1.621 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.901 26.315 1.040 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.463 26.028 0.591 1.00 25.00 C ATOM 0 H LEU A 45 27.184 24.660 5.258 1.00 25.00 H new ATOM 0 HA LEU A 45 29.273 25.852 3.651 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.324 24.654 2.722 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.279 25.932 3.309 1.00 25.00 H new ATOM 0 HG LEU A 45 27.366 27.558 1.846 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.990 26.883 0.114 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.640 26.672 1.757 1.00 25.00 H new ATOM 0 HD13 LEU A 45 29.075 25.259 0.835 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.606 26.573 -0.342 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.591 24.961 0.411 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.458 26.214 0.970 1.00 25.00 H new ATOM 685 N ALA A 46 27.254 27.667 5.490 1.00 25.00 N ATOM 686 CA ALA A 46 27.055 29.003 6.023 1.00 25.00 C ATOM 687 C ALA A 46 28.322 29.574 6.654 1.00 25.00 C ATOM 688 O ALA A 46 28.685 30.686 6.340 1.00 25.00 O ATOM 689 CB ALA A 46 25.947 29.002 7.018 1.00 25.00 C ATOM 0 H ALA A 46 26.672 26.944 5.912 1.00 25.00 H new ATOM 0 HA ALA A 46 26.793 29.646 5.183 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.809 30.010 7.410 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.027 28.670 6.537 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.193 28.326 7.836 1.00 25.00 H new ATOM 695 N GLU A 47 28.991 28.831 7.528 1.00 25.00 N ATOM 696 CA GLU A 47 30.199 29.356 8.192 1.00 25.00 C ATOM 697 C GLU A 47 31.284 29.706 7.170 1.00 25.00 C ATOM 698 O GLU A 47 32.049 30.658 7.352 1.00 25.00 O ATOM 699 CB GLU A 47 30.744 28.374 9.242 1.00 25.00 C ATOM 700 CG GLU A 47 31.272 27.060 8.686 1.00 25.00 C ATOM 701 CD GLU A 47 31.943 26.218 9.747 1.00 25.00 C ATOM 702 OE1 GLU A 47 33.196 26.226 9.792 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.236 25.556 10.534 1.00 25.00 O ATOM 0 H GLU A 47 28.732 27.881 7.796 1.00 25.00 H new ATOM 0 HA GLU A 47 29.908 30.270 8.710 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.545 28.865 9.794 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.952 28.155 9.958 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.449 26.497 8.245 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.982 27.266 7.885 1.00 25.00 H new ATOM 710 N ALA A 48 31.312 28.969 6.074 1.00 25.00 N ATOM 711 CA ALA A 48 32.226 29.224 4.987 1.00 25.00 C ATOM 712 C ALA A 48 31.921 30.579 4.336 1.00 25.00 C ATOM 713 O ALA A 48 32.829 31.342 4.024 1.00 25.00 O ATOM 714 CB ALA A 48 32.122 28.083 3.972 1.00 25.00 C ATOM 0 H ALA A 48 30.695 28.172 5.917 1.00 25.00 H new ATOM 0 HA ALA A 48 33.247 29.268 5.366 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.809 28.267 3.146 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.380 27.141 4.456 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.103 28.028 3.590 1.00 25.00 H new ATOM 720 N LEU A 49 30.638 30.884 4.189 1.00 25.00 N ATOM 721 CA LEU A 49 30.204 32.171 3.654 1.00 25.00 C ATOM 722 C LEU A 49 30.556 33.297 4.624 1.00 25.00 C ATOM 723 O LEU A 49 31.004 34.361 4.211 1.00 25.00 O ATOM 724 CB LEU A 49 28.684 32.157 3.441 1.00 25.00 C ATOM 725 CG LEU A 49 28.094 33.410 2.784 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.326 33.370 1.285 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.609 33.502 3.101 1.00 25.00 C ATOM 0 H LEU A 49 29.874 30.254 4.434 1.00 25.00 H new ATOM 0 HA LEU A 49 30.713 32.340 2.705 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.429 31.293 2.827 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.201 32.014 4.408 1.00 25.00 H new ATOM 0 HG LEU A 49 28.590 34.296 3.181 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.903 34.264 0.827 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.396 33.331 1.083 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.845 32.486 0.866 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.192 34.394 2.633 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.100 32.618 2.717 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.470 33.560 4.181 1.00 25.00 H new ATOM 739 N LEU A 50 30.346 33.053 5.914 1.00 25.00 N ATOM 740 CA LEU A 50 30.564 34.081 6.944 1.00 25.00 C ATOM 741 C LEU A 50 32.027 34.481 7.014 1.00 25.00 C ATOM 742 O LEU A 50 32.360 35.595 7.395 1.00 25.00 O ATOM 743 CB LEU A 50 30.145 33.582 8.341 1.00 25.00 C ATOM 744 CG LEU A 50 28.750 32.973 8.557 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.453 32.881 10.035 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.631 33.707 7.818 1.00 25.00 C ATOM 0 H LEU A 50 30.025 32.156 6.278 1.00 25.00 H new ATOM 0 HA LEU A 50 29.951 34.936 6.660 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.876 32.834 8.650 1.00 25.00 H new ATOM 0 HB3 LEU A 50 30.240 34.424 9.027 1.00 25.00 H new ATOM 0 HG LEU A 50 28.776 31.974 8.122 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.463 32.449 10.181 1.00 25.00 H new ATOM 0 HD12 LEU A 50 29.199 32.250 10.517 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.482 33.878 10.475 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.679 33.217 8.021 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.587 34.741 8.159 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.828 33.687 6.746 1.00 25.00 H new ATOM 758 N SER A 51 32.895 33.551 6.654 1.00 25.00 N ATOM 759 CA SER A 51 34.325 33.779 6.678 1.00 25.00 C ATOM 760 C SER A 51 34.798 34.644 5.509 1.00 25.00 C ATOM 761 O SER A 51 35.896 35.179 5.541 1.00 25.00 O ATOM 762 CB SER A 51 35.023 32.439 6.607 1.00 25.00 C ATOM 763 OG SER A 51 34.635 31.588 7.682 1.00 25.00 O ATOM 0 H SER A 51 32.626 32.619 6.338 1.00 25.00 H new ATOM 0 HA SER A 51 34.566 34.310 7.599 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.790 31.956 5.658 1.00 25.00 H new ATOM 0 HB3 SER A 51 36.102 32.589 6.632 1.00 25.00 H new ATOM 0 HG SER A 51 33.706 31.303 7.554 1.00 25.00 H new ATOM 769 N GLY A 52 33.998 34.733 4.452 1.00 25.00 N ATOM 770 CA GLY A 52 34.371 35.506 3.272 1.00 25.00 C ATOM 771 C GLY A 52 35.224 34.725 2.282 1.00 25.00 C ATOM 772 O GLY A 52 35.145 34.945 1.068 1.00 25.00 O ATOM 0 H GLY A 52 33.087 34.279 4.388 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.466 35.848 2.770 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.916 36.396 3.587 1.00 25.00 H new ATOM 776 N ASP A 53 36.018 33.802 2.809 1.00 25.00 N ATOM 777 CA ASP A 53 36.893 32.932 2.038 1.00 25.00 C ATOM 778 C ASP A 53 36.141 32.141 0.975 1.00 25.00 C ATOM 779 O ASP A 53 35.474 31.149 1.264 1.00 25.00 O ATOM 780 CB ASP A 53 37.578 31.976 2.992 1.00 25.00 C ATOM 781 CG ASP A 53 38.729 32.604 3.734 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.938 32.219 4.904 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.430 33.460 3.159 1.00 25.00 O ATOM 0 H ASP A 53 36.072 33.634 3.814 1.00 25.00 H new ATOM 0 HA ASP A 53 37.619 33.556 1.516 1.00 25.00 H new ATOM 0 HB2 ASP A 53 36.848 31.606 3.712 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.941 31.113 2.434 1.00 25.00 H new ATOM 788 N LEU A 54 36.290 32.562 -0.276 1.00 25.00 N ATOM 789 CA LEU A 54 35.680 31.848 -1.393 1.00 25.00 C ATOM 790 C LEU A 54 36.268 30.443 -1.421 1.00 25.00 C ATOM 791 O LEU A 54 35.591 29.490 -1.754 1.00 25.00 O ATOM 792 CB LEU A 54 35.967 32.560 -2.719 1.00 25.00 C ATOM 793 CG LEU A 54 35.361 31.975 -4.020 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.267 30.926 -4.675 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.942 31.408 -3.851 1.00 25.00 C ATOM 0 H LEU A 54 36.824 33.389 -0.542 1.00 25.00 H new ATOM 0 HA LEU A 54 34.598 31.813 -1.264 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.619 33.589 -2.625 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.049 32.600 -2.846 1.00 25.00 H new ATOM 0 HG LEU A 54 35.286 32.835 -4.685 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.793 30.551 -5.582 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.225 31.380 -4.928 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.428 30.101 -3.982 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.590 31.018 -4.806 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.957 30.605 -3.114 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.272 32.199 -3.512 1.00 25.00 H new ATOM 807 N GLU A 55 37.526 30.319 -1.036 1.00 25.00 N ATOM 808 CA GLU A 55 38.206 29.024 -1.022 1.00 25.00 C ATOM 809 C GLU A 55 37.433 27.994 -0.209 1.00 25.00 C ATOM 810 O GLU A 55 37.112 26.906 -0.698 1.00 25.00 O ATOM 811 CB GLU A 55 39.608 29.175 -0.433 1.00 25.00 C ATOM 812 CG GLU A 55 40.348 30.363 -0.989 1.00 25.00 C ATOM 813 CD GLU A 55 41.851 30.241 -0.808 1.00 25.00 C ATOM 814 OE1 GLU A 55 42.592 30.597 -1.746 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.290 29.761 0.261 1.00 25.00 O ATOM 0 H GLU A 55 38.105 31.100 -0.726 1.00 25.00 H new ATOM 0 HA GLU A 55 38.268 28.675 -2.053 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.534 29.273 0.650 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.181 28.269 -0.633 1.00 25.00 H new ATOM 0 HG2 GLU A 55 40.119 30.467 -2.050 1.00 25.00 H new ATOM 0 HG3 GLU A 55 39.997 31.270 -0.497 1.00 25.00 H new ATOM 822 N LYS A 56 37.099 28.344 1.024 1.00 25.00 N ATOM 823 CA LYS A 56 36.353 27.420 1.880 1.00 25.00 C ATOM 824 C LYS A 56 34.905 27.331 1.436 1.00 25.00 C ATOM 825 O LYS A 56 34.322 26.258 1.486 1.00 25.00 O ATOM 826 CB LYS A 56 36.494 27.771 3.373 1.00 25.00 C ATOM 827 CG LYS A 56 35.850 29.006 3.857 1.00 25.00 C ATOM 828 CD LYS A 56 36.401 29.381 5.250 1.00 25.00 C ATOM 829 CE LYS A 56 35.796 28.555 6.397 1.00 25.00 C ATOM 830 NZ LYS A 56 36.234 29.074 7.741 1.00 25.00 N ATOM 0 H LYS A 56 37.325 29.242 1.452 1.00 25.00 H new ATOM 0 HA LYS A 56 36.791 26.428 1.766 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.095 26.938 3.951 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.558 27.837 3.602 1.00 25.00 H new ATOM 0 HG2 LYS A 56 36.032 29.819 3.155 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.770 28.866 3.910 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.483 29.249 5.251 1.00 25.00 H new ATOM 0 HD3 LYS A 56 36.209 30.438 5.435 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.708 28.582 6.332 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.096 27.512 6.293 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.951 28.401 8.482 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.268 29.185 7.750 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.786 29.995 7.920 1.00 25.00 H new ATOM 844 N PHE A 57 34.341 28.424 0.942 1.00 25.00 N ATOM 845 CA PHE A 57 32.969 28.395 0.437 1.00 25.00 C ATOM 846 C PHE A 57 32.844 27.391 -0.707 1.00 25.00 C ATOM 847 O PHE A 57 31.992 26.521 -0.667 1.00 25.00 O ATOM 848 CB PHE A 57 32.517 29.783 -0.017 1.00 25.00 C ATOM 849 CG PHE A 57 31.106 29.811 -0.524 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.026 29.874 0.375 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.843 29.756 -1.906 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.693 29.875 -0.098 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.516 29.756 -2.388 1.00 25.00 C ATOM 854 CZ PHE A 57 28.442 29.815 -1.485 1.00 25.00 C ATOM 0 H PHE A 57 34.802 29.332 0.879 1.00 25.00 H new ATOM 0 HA PHE A 57 32.317 28.081 1.252 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.610 30.479 0.817 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.185 30.136 -0.803 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.216 29.922 1.437 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.665 29.713 -2.605 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.870 29.922 0.600 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.327 29.711 -3.450 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.426 29.814 -1.852 1.00 25.00 H new ATOM 864 N SER A 58 33.728 27.481 -1.689 1.00 25.00 N ATOM 865 CA SER A 58 33.744 26.567 -2.823 1.00 25.00 C ATOM 866 C SER A 58 34.003 25.130 -2.400 1.00 25.00 C ATOM 867 O SER A 58 33.317 24.218 -2.846 1.00 25.00 O ATOM 868 CB SER A 58 34.842 26.996 -3.800 1.00 25.00 C ATOM 869 OG SER A 58 34.887 26.133 -4.920 1.00 25.00 O ATOM 0 H SER A 58 34.458 28.193 -1.723 1.00 25.00 H new ATOM 0 HA SER A 58 32.761 26.609 -3.292 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.661 28.019 -4.131 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.807 26.991 -3.293 1.00 25.00 H new ATOM 0 HG SER A 58 35.594 26.427 -5.531 1.00 25.00 H new ATOM 875 N ARG A 59 34.971 24.917 -1.520 1.00 25.00 N ATOM 876 CA ARG A 59 35.298 23.561 -1.078 1.00 25.00 C ATOM 877 C ARG A 59 34.083 22.894 -0.440 1.00 25.00 C ATOM 878 O ARG A 59 33.764 21.750 -0.744 1.00 25.00 O ATOM 879 CB ARG A 59 36.466 23.611 -0.087 1.00 25.00 C ATOM 880 CG ARG A 59 36.863 22.242 0.497 1.00 25.00 C ATOM 881 CD ARG A 59 36.270 22.029 1.894 1.00 25.00 C ATOM 882 NE ARG A 59 36.579 20.695 2.435 1.00 25.00 N ATOM 883 CZ ARG A 59 36.382 20.315 3.694 1.00 25.00 C ATOM 884 NH1 ARG A 59 35.896 21.128 4.601 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.680 19.100 4.049 1.00 25.00 N ATOM 0 H ARG A 59 35.540 25.652 -1.100 1.00 25.00 H new ATOM 0 HA ARG A 59 35.591 22.968 -1.944 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.332 24.044 -0.587 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.203 24.280 0.733 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.521 21.449 -0.168 1.00 25.00 H new ATOM 0 HG3 ARG A 59 37.949 22.169 0.548 1.00 25.00 H new ATOM 0 HD2 ARG A 59 36.657 22.791 2.570 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.189 22.160 1.851 1.00 25.00 H new ATOM 0 HE ARG A 59 36.975 20.008 1.794 1.00 25.00 H new ATOM 0 HH11 ARG A 59 35.656 22.087 4.350 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.758 20.801 5.557 1.00 25.00 H new ATOM 0 HH21 ARG A 59 37.061 18.448 3.364 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.532 18.799 5.012 1.00 25.00 H new ATOM 899 N VAL A 60 33.400 23.617 0.434 1.00 25.00 N ATOM 900 CA VAL A 60 32.239 23.061 1.118 1.00 25.00 C ATOM 901 C VAL A 60 31.088 22.943 0.124 1.00 25.00 C ATOM 902 O VAL A 60 30.300 22.015 0.207 1.00 25.00 O ATOM 903 CB VAL A 60 31.839 23.913 2.358 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.615 23.309 3.058 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.004 23.965 3.365 1.00 25.00 C ATOM 0 H VAL A 60 33.625 24.580 0.686 1.00 25.00 H new ATOM 0 HA VAL A 60 32.489 22.070 1.496 1.00 25.00 H new ATOM 0 HB VAL A 60 31.601 24.918 2.011 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.352 23.919 3.922 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.775 23.282 2.364 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.847 22.296 3.387 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.713 24.564 4.228 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.249 22.954 3.691 1.00 25.00 H new ATOM 0 HG23 VAL A 60 33.876 24.414 2.890 1.00 25.00 H new ATOM 915 N LEU A 61 31.012 23.852 -0.840 1.00 25.00 N ATOM 916 CA LEU A 61 29.962 23.800 -1.857 1.00 25.00 C ATOM 917 C LEU A 61 30.013 22.472 -2.604 1.00 25.00 C ATOM 918 O LEU A 61 28.987 21.837 -2.793 1.00 25.00 O ATOM 919 CB LEU A 61 30.106 24.955 -2.859 1.00 25.00 C ATOM 920 CG LEU A 61 28.857 25.223 -3.712 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.106 26.386 -3.112 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.204 25.566 -5.155 1.00 25.00 C ATOM 0 H LEU A 61 31.661 24.632 -0.941 1.00 25.00 H new ATOM 0 HA LEU A 61 29.002 23.895 -1.349 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.358 25.864 -2.312 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.944 24.740 -3.523 1.00 25.00 H new ATOM 0 HG LEU A 61 28.256 24.314 -3.718 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.215 26.590 -3.706 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.813 26.142 -2.091 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.747 27.268 -3.105 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.287 25.747 -5.717 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.825 26.461 -5.177 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.748 24.736 -5.606 1.00 25.00 H new ATOM 934 N VAL A 62 31.203 22.034 -2.995 1.00 25.00 N ATOM 935 CA VAL A 62 31.349 20.767 -3.719 1.00 25.00 C ATOM 936 C VAL A 62 30.992 19.590 -2.818 1.00 25.00 C ATOM 937 O VAL A 62 30.290 18.673 -3.230 1.00 25.00 O ATOM 938 CB VAL A 62 32.797 20.576 -4.259 1.00 25.00 C ATOM 939 CG1 VAL A 62 32.932 19.241 -5.021 1.00 25.00 C ATOM 940 CG2 VAL A 62 33.163 21.724 -5.197 1.00 25.00 C ATOM 0 H VAL A 62 32.079 22.530 -2.827 1.00 25.00 H new ATOM 0 HA VAL A 62 30.664 20.802 -4.566 1.00 25.00 H new ATOM 0 HB VAL A 62 33.474 20.566 -3.404 1.00 25.00 H new ATOM 0 HG11 VAL A 62 33.953 19.133 -5.387 1.00 25.00 H new ATOM 0 HG12 VAL A 62 32.698 18.414 -4.351 1.00 25.00 H new ATOM 0 HG13 VAL A 62 32.241 19.232 -5.864 1.00 25.00 H new ATOM 0 HG21 VAL A 62 34.178 21.581 -5.569 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.468 21.744 -6.037 1.00 25.00 H new ATOM 0 HG23 VAL A 62 33.105 22.668 -4.656 1.00 25.00 H new ATOM 950 N GLU A 63 31.443 19.615 -1.577 1.00 25.00 N ATOM 951 CA GLU A 63 31.123 18.530 -0.640 1.00 25.00 C ATOM 952 C GLU A 63 29.614 18.450 -0.395 1.00 25.00 C ATOM 953 O GLU A 63 29.031 17.364 -0.377 1.00 25.00 O ATOM 954 CB GLU A 63 31.879 18.724 0.676 1.00 25.00 C ATOM 955 CG GLU A 63 33.382 18.505 0.514 1.00 25.00 C ATOM 956 CD GLU A 63 34.128 18.503 1.838 1.00 25.00 C ATOM 957 OE1 GLU A 63 35.204 17.858 1.903 1.00 25.00 O ATOM 958 OE2 GLU A 63 33.691 19.187 2.791 1.00 25.00 O ATOM 0 H GLU A 63 32.024 20.358 -1.190 1.00 25.00 H new ATOM 0 HA GLU A 63 31.441 17.586 -1.084 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.698 19.731 1.052 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.491 18.031 1.422 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.553 17.556 0.006 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.791 19.287 -0.126 1.00 25.00 H new