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 -100:sc= 0.43 USER MOD Set 1.2: A 56 LYS NZ :NH3+ 149:sc= 0.476 (180deg=-0.241) USER MOD Single : A 27 MET CE :methyl -106:sc=-0.00366 (180deg=-0.277) USER MOD Single : A 31 ASN : amide:sc= -1.37 K(o=-1.4,f=-8.7!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,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= -0.054 K(o=-0.054,f=-4.3!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0665 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.571 28.841 -7.535 1.00 25.00 N ATOM 273 CA PRO A 21 30.532 29.245 -6.125 1.00 25.00 C ATOM 274 C PRO A 21 30.826 30.728 -5.951 1.00 25.00 C ATOM 275 O PRO A 21 30.359 31.345 -5.012 1.00 25.00 O ATOM 276 CB PRO A 21 31.656 28.420 -5.490 1.00 25.00 C ATOM 277 CG PRO A 21 32.536 28.051 -6.611 1.00 25.00 C ATOM 278 CD PRO A 21 31.632 27.848 -7.775 1.00 25.00 C ATOM 0 HA PRO A 21 29.551 29.080 -5.680 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.194 28.998 -4.739 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.262 27.535 -4.989 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.265 28.836 -6.812 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.098 27.144 -6.387 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.144 28.023 -8.721 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.237 26.833 -7.809 1.00 25.00 H new ATOM 286 N ALA A 22 31.581 31.303 -6.877 1.00 25.00 N ATOM 287 CA ALA A 22 31.922 32.718 -6.828 1.00 25.00 C ATOM 288 C ALA A 22 30.663 33.588 -6.846 1.00 25.00 C ATOM 289 O ALA A 22 30.534 34.520 -6.054 1.00 25.00 O ATOM 290 CB ALA A 22 32.823 33.054 -8.018 1.00 25.00 C ATOM 0 H ALA A 22 31.972 30.806 -7.678 1.00 25.00 H new ATOM 0 HA ALA A 22 32.451 32.925 -5.898 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.084 34.112 -7.990 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.732 32.455 -7.967 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.296 32.835 -8.947 1.00 25.00 H new ATOM 296 N LEU A 23 29.758 33.265 -7.759 1.00 25.00 N ATOM 297 CA LEU A 23 28.522 34.012 -7.958 1.00 25.00 C ATOM 298 C LEU A 23 27.542 33.741 -6.832 1.00 25.00 C ATOM 299 O LEU A 23 26.881 34.646 -6.346 1.00 25.00 O ATOM 300 CB LEU A 23 27.868 33.583 -9.280 1.00 25.00 C ATOM 301 CG LEU A 23 28.412 34.126 -10.622 1.00 25.00 C ATOM 302 CD1 LEU A 23 27.898 35.516 -10.808 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.946 34.150 -10.773 1.00 25.00 C ATOM 0 H LEU A 23 29.861 32.469 -8.389 1.00 25.00 H new ATOM 0 HA LEU A 23 28.767 35.074 -7.978 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.915 32.495 -9.327 1.00 25.00 H new ATOM 0 HB3 LEU A 23 26.814 33.854 -9.224 1.00 25.00 H new ATOM 0 HG LEU A 23 28.060 33.427 -11.380 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.270 35.919 -11.750 1.00 25.00 H new ATOM 0 HD12 LEU A 23 26.808 35.502 -10.825 1.00 25.00 H new ATOM 0 HD13 LEU A 23 28.240 36.144 -9.985 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.209 34.550 -11.752 1.00 25.00 H new ATOM 0 HD22 LEU A 23 30.378 34.780 -9.996 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.337 33.137 -10.678 1.00 25.00 H new ATOM 315 N LEU A 24 27.447 32.488 -6.418 1.00 25.00 N ATOM 316 CA LEU A 24 26.516 32.129 -5.352 1.00 25.00 C ATOM 317 C LEU A 24 26.936 32.781 -4.039 1.00 25.00 C ATOM 318 O LEU A 24 26.100 33.287 -3.310 1.00 25.00 O ATOM 319 CB LEU A 24 26.441 30.604 -5.207 1.00 25.00 C ATOM 320 CG LEU A 24 25.417 30.042 -4.204 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.055 30.742 -4.264 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.223 28.560 -4.473 1.00 25.00 C ATOM 0 H LEU A 24 27.991 31.712 -6.794 1.00 25.00 H new ATOM 0 HA LEU A 24 25.523 32.498 -5.611 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.220 30.182 -6.187 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.429 30.243 -4.920 1.00 25.00 H new ATOM 0 HG LEU A 24 25.821 30.219 -3.207 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.384 30.295 -3.531 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.181 31.802 -4.042 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.631 30.628 -5.262 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.499 28.154 -3.767 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.856 28.420 -5.490 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.174 28.041 -4.356 1.00 25.00 H new ATOM 334 N ARG A 25 28.234 32.827 -3.779 1.00 25.00 N ATOM 335 CA ARG A 25 28.776 33.506 -2.604 1.00 25.00 C ATOM 336 C ARG A 25 28.379 34.973 -2.644 1.00 25.00 C ATOM 337 O ARG A 25 27.990 35.537 -1.634 1.00 25.00 O ATOM 338 CB ARG A 25 30.307 33.343 -2.613 1.00 25.00 C ATOM 339 CG ARG A 25 31.111 34.139 -1.574 1.00 25.00 C ATOM 340 CD ARG A 25 31.509 35.540 -2.061 1.00 25.00 C ATOM 341 NE ARG A 25 32.134 35.546 -3.396 1.00 25.00 N ATOM 342 CZ ARG A 25 33.305 36.088 -3.701 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.078 36.657 -2.808 1.00 25.00 N ATOM 344 NH2 ARG A 25 33.703 36.054 -4.939 1.00 25.00 N ATOM 0 H ARG A 25 28.943 32.397 -4.373 1.00 25.00 H new ATOM 0 HA ARG A 25 28.378 33.073 -1.686 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.534 32.286 -2.476 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.669 33.620 -3.603 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.522 34.232 -0.662 1.00 25.00 H new ATOM 0 HG3 ARG A 25 32.011 33.582 -1.316 1.00 25.00 H new ATOM 0 HD2 ARG A 25 30.622 36.174 -2.081 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.200 35.982 -1.344 1.00 25.00 H new ATOM 0 HE ARG A 25 31.620 35.093 -4.152 1.00 25.00 H new ATOM 0 HH11 ARG A 25 33.786 36.696 -1.831 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.971 37.061 -3.090 1.00 25.00 H new ATOM 0 HH21 ARG A 25 33.118 35.617 -5.651 1.00 25.00 H new ATOM 0 HH22 ARG A 25 34.600 36.464 -5.198 1.00 25.00 H new ATOM 358 N ASP A 26 28.484 35.579 -3.813 1.00 25.00 N ATOM 359 CA ASP A 26 28.183 37.002 -3.976 1.00 25.00 C ATOM 360 C ASP A 26 26.703 37.289 -3.709 1.00 25.00 C ATOM 361 O ASP A 26 26.356 38.190 -2.950 1.00 25.00 O ATOM 362 CB ASP A 26 28.563 37.436 -5.396 1.00 25.00 C ATOM 363 CG ASP A 26 28.864 38.911 -5.491 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.386 39.552 -6.445 1.00 25.00 O ATOM 365 OD2 ASP A 26 29.675 39.399 -4.675 1.00 25.00 O ATOM 0 H ASP A 26 28.776 35.111 -4.671 1.00 25.00 H new ATOM 0 HA ASP A 26 28.764 37.570 -3.250 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.434 36.869 -5.724 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.748 37.191 -6.077 1.00 25.00 H new ATOM 370 N MET A 27 25.838 36.462 -4.287 1.00 25.00 N ATOM 371 CA MET A 27 24.388 36.579 -4.095 1.00 25.00 C ATOM 372 C MET A 27 24.040 36.413 -2.629 1.00 25.00 C ATOM 373 O MET A 27 23.306 37.202 -2.062 1.00 25.00 O ATOM 374 CB MET A 27 23.679 35.498 -4.919 1.00 25.00 C ATOM 375 CG MET A 27 22.154 35.618 -4.954 1.00 25.00 C ATOM 376 SD MET A 27 21.268 35.081 -3.456 1.00 25.00 S ATOM 377 CE MET A 27 21.426 33.294 -3.520 1.00 25.00 C ATOM 0 H MET A 27 26.115 35.695 -4.899 1.00 25.00 H new ATOM 0 HA MET A 27 24.061 37.565 -4.424 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.056 35.534 -5.941 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.944 34.521 -4.515 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.897 36.659 -5.149 1.00 25.00 H new ATOM 0 HG3 MET A 27 21.784 35.035 -5.798 1.00 25.00 H new ATOM 0 HE1 MET A 27 20.471 32.854 -3.809 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.187 33.022 -4.252 1.00 25.00 H new ATOM 0 HE3 MET A 27 21.716 32.919 -2.539 1.00 25.00 H new ATOM 387 N LEU A 28 24.588 35.374 -2.026 1.00 25.00 N ATOM 388 CA LEU A 28 24.313 35.067 -0.628 1.00 25.00 C ATOM 389 C LEU A 28 24.730 36.176 0.316 1.00 25.00 C ATOM 390 O LEU A 28 24.011 36.493 1.248 1.00 25.00 O ATOM 391 CB LEU A 28 25.034 33.798 -0.237 1.00 25.00 C ATOM 392 CG LEU A 28 24.251 32.530 -0.553 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.196 31.369 -0.534 1.00 25.00 C ATOM 394 CD2 LEU A 28 23.146 32.330 0.469 1.00 25.00 C ATOM 0 H LEU A 28 25.229 34.724 -2.482 1.00 25.00 H new ATOM 0 HA LEU A 28 23.233 34.949 -0.539 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.993 33.761 -0.754 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.248 33.826 0.831 1.00 25.00 H new ATOM 0 HG LEU A 28 23.791 32.613 -1.538 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.651 30.452 -0.759 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.974 31.521 -1.282 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.652 31.287 0.453 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.593 31.421 0.233 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.582 32.242 1.464 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.469 33.184 0.444 1.00 25.00 H new ATOM 406 N LEU A 29 25.889 36.767 0.083 1.00 25.00 N ATOM 407 CA LEU A 29 26.356 37.858 0.944 1.00 25.00 C ATOM 408 C LEU A 29 25.433 39.061 0.825 1.00 25.00 C ATOM 409 O LEU A 29 25.205 39.780 1.800 1.00 25.00 O ATOM 410 CB LEU A 29 27.781 38.275 0.571 1.00 25.00 C ATOM 411 CG LEU A 29 28.901 37.306 0.978 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.193 37.744 0.315 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.093 37.237 2.491 1.00 25.00 C ATOM 0 H LEU A 29 26.520 36.521 -0.680 1.00 25.00 H new ATOM 0 HA LEU A 29 26.350 37.497 1.972 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.825 38.415 -0.509 1.00 25.00 H new ATOM 0 HB3 LEU A 29 27.984 39.244 1.027 1.00 25.00 H new ATOM 0 HG LEU A 29 28.617 36.307 0.648 1.00 25.00 H new ATOM 0 HD11 LEU A 29 30.996 37.063 0.597 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.069 37.730 -0.768 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.444 38.754 0.639 1.00 25.00 H new ATOM 0 HD21 LEU A 29 29.896 36.538 2.724 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.351 38.226 2.871 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.169 36.898 2.960 1.00 25.00 H new ATOM 425 N ALA A 30 24.901 39.275 -0.368 1.00 25.00 N ATOM 426 CA ALA A 30 23.997 40.390 -0.620 1.00 25.00 C ATOM 427 C ALA A 30 22.559 40.100 -0.156 1.00 25.00 C ATOM 428 O ALA A 30 21.739 41.016 -0.079 1.00 25.00 O ATOM 429 CB ALA A 30 24.007 40.717 -2.120 1.00 25.00 C ATOM 0 H ALA A 30 25.080 38.688 -1.183 1.00 25.00 H new ATOM 0 HA ALA A 30 24.352 41.243 -0.041 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.332 41.551 -2.315 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.017 40.988 -2.427 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.678 39.845 -2.685 1.00 25.00 H new ATOM 435 N ASN A 31 22.236 38.837 0.104 1.00 25.00 N ATOM 436 CA ASN A 31 20.858 38.447 0.409 1.00 25.00 C ATOM 437 C ASN A 31 20.684 38.051 1.872 1.00 25.00 C ATOM 438 O ASN A 31 21.022 36.931 2.267 1.00 25.00 O ATOM 439 CB ASN A 31 20.434 37.288 -0.494 1.00 25.00 C ATOM 440 CG ASN A 31 18.955 37.060 -0.467 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.304 37.225 0.561 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.417 36.663 -1.580 1.00 25.00 N ATOM 0 H ASN A 31 22.905 38.067 0.110 1.00 25.00 H new ATOM 0 HA ASN A 31 20.224 39.314 0.224 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.749 37.493 -1.517 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.946 36.379 -0.179 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.415 36.475 -1.624 1.00 25.00 H new ATOM 0 HD22 ASN A 31 18.996 36.539 -2.411 1.00 25.00 H new ATOM 449 N PRO A 32 20.117 38.946 2.697 1.00 25.00 N ATOM 450 CA PRO A 32 20.003 38.593 4.115 1.00 25.00 C ATOM 451 C PRO A 32 19.051 37.436 4.421 1.00 25.00 C ATOM 452 O PRO A 32 19.204 36.765 5.439 1.00 25.00 O ATOM 453 CB PRO A 32 19.518 39.899 4.750 1.00 25.00 C ATOM 454 CG PRO A 32 18.776 40.579 3.659 1.00 25.00 C ATOM 455 CD PRO A 32 19.586 40.298 2.439 1.00 25.00 C ATOM 0 HA PRO A 32 20.951 38.222 4.503 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.876 39.709 5.610 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.353 40.505 5.102 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.762 40.190 3.563 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.690 41.650 3.843 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.977 40.327 1.535 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.385 41.027 2.308 1.00 25.00 H new ATOM 463 N HIS A 33 18.068 37.189 3.563 1.00 25.00 N ATOM 464 CA HIS A 33 17.135 36.092 3.795 1.00 25.00 C ATOM 465 C HIS A 33 17.769 34.755 3.431 1.00 25.00 C ATOM 466 O HIS A 33 17.662 33.779 4.174 1.00 25.00 O ATOM 467 CB HIS A 33 15.853 36.289 2.981 1.00 25.00 C ATOM 468 CG HIS A 33 14.782 35.299 3.313 1.00 25.00 C ATOM 469 ND1 HIS A 33 14.105 35.267 4.507 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.265 34.268 2.587 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.242 34.262 4.472 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.294 33.616 3.326 1.00 25.00 N ATOM 0 H HIS A 33 17.897 37.725 2.712 1.00 25.00 H new ATOM 0 HA HIS A 33 16.886 36.088 4.856 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.473 37.296 3.153 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.090 36.215 1.920 1.00 25.00 H new ATOM 0 HD2 HIS A 33 14.568 34.000 1.585 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.578 34.005 5.284 1.00 25.00 H new ATOM 0 HE2 HIS A 33 12.738 32.809 3.044 1.00 25.00 H new ATOM 480 N GLU A 34 18.445 34.717 2.293 1.00 25.00 N ATOM 481 CA GLU A 34 19.023 33.469 1.794 1.00 25.00 C ATOM 482 C GLU A 34 20.177 33.077 2.698 1.00 25.00 C ATOM 483 O GLU A 34 20.355 31.924 3.042 1.00 25.00 O ATOM 484 CB GLU A 34 19.499 33.616 0.343 1.00 25.00 C ATOM 485 CG GLU A 34 18.701 32.803 -0.688 1.00 25.00 C ATOM 486 CD GLU A 34 19.166 31.334 -0.835 1.00 25.00 C ATOM 487 OE1 GLU A 34 18.873 30.724 -1.894 1.00 25.00 O ATOM 488 OE2 GLU A 34 19.844 30.795 0.069 1.00 25.00 O ATOM 0 H GLU A 34 18.609 35.529 1.697 1.00 25.00 H new ATOM 0 HA GLU A 34 18.261 32.690 1.804 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.454 34.669 0.067 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.546 33.317 0.288 1.00 25.00 H new ATOM 0 HG2 GLU A 34 17.648 32.813 -0.406 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.775 33.295 -1.658 1.00 25.00 H new ATOM 495 N LEU A 35 20.933 34.058 3.156 1.00 25.00 N ATOM 496 CA LEU A 35 22.046 33.778 4.052 1.00 25.00 C ATOM 497 C LEU A 35 21.547 33.275 5.412 1.00 25.00 C ATOM 498 O LEU A 35 22.209 32.468 6.064 1.00 25.00 O ATOM 499 CB LEU A 35 22.950 35.003 4.136 1.00 25.00 C ATOM 500 CG LEU A 35 22.741 36.153 5.123 1.00 25.00 C ATOM 501 CD1 LEU A 35 22.977 35.808 6.583 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.714 37.223 4.685 1.00 25.00 C ATOM 0 H LEU A 35 20.802 35.044 2.928 1.00 25.00 H new ATOM 0 HA LEU A 35 22.652 32.964 3.654 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.957 34.627 4.316 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.950 35.451 3.142 1.00 25.00 H new ATOM 0 HG LEU A 35 21.694 36.456 5.094 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.803 36.691 7.198 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.293 35.015 6.885 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.005 35.471 6.716 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.627 38.086 5.345 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.730 36.832 4.732 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.488 37.524 3.662 1.00 25.00 H new ATOM 514 N SER A 36 20.365 33.726 5.819 1.00 25.00 N ATOM 515 CA SER A 36 19.758 33.317 7.085 1.00 25.00 C ATOM 516 C SER A 36 19.222 31.901 6.993 1.00 25.00 C ATOM 517 O SER A 36 19.488 31.079 7.854 1.00 25.00 O ATOM 518 CB SER A 36 18.623 34.262 7.485 1.00 25.00 C ATOM 519 OG SER A 36 18.127 33.933 8.775 1.00 25.00 O ATOM 0 H SER A 36 19.800 34.384 5.283 1.00 25.00 H new ATOM 0 HA SER A 36 20.537 33.358 7.846 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.981 35.291 7.479 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.817 34.201 6.754 1.00 25.00 H new ATOM 0 HG SER A 36 17.403 34.549 9.014 1.00 25.00 H new ATOM 525 N LEU A 37 18.501 31.584 5.932 1.00 25.00 N ATOM 526 CA LEU A 37 17.980 30.231 5.785 1.00 25.00 C ATOM 527 C LEU A 37 19.105 29.266 5.630 1.00 25.00 C ATOM 528 O LEU A 37 19.015 28.117 6.014 1.00 25.00 O ATOM 529 CB LEU A 37 17.013 30.151 4.625 1.00 25.00 C ATOM 530 CG LEU A 37 17.385 30.382 3.168 1.00 25.00 C ATOM 531 CD1 LEU A 37 17.909 29.161 2.530 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.149 30.867 2.411 1.00 25.00 C ATOM 0 H LEU A 37 18.265 32.225 5.175 1.00 25.00 H new ATOM 0 HA LEU A 37 17.427 29.964 6.686 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.573 29.155 4.669 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.217 30.861 4.848 1.00 25.00 H new ATOM 0 HG LEU A 37 18.175 31.132 3.135 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.161 29.373 1.491 1.00 25.00 H new ATOM 0 HD12 LEU A 37 18.802 28.828 3.060 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.152 28.378 2.567 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.406 31.035 1.365 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.364 30.113 2.475 1.00 25.00 H new ATOM 0 HD23 LEU A 37 15.794 31.799 2.852 1.00 25.00 H new ATOM 544 N LEU A 38 20.186 29.742 5.058 1.00 25.00 N ATOM 545 CA LEU A 38 21.344 28.922 4.854 1.00 25.00 C ATOM 546 C LEU A 38 22.055 28.568 6.146 1.00 25.00 C ATOM 547 O LEU A 38 22.425 27.420 6.332 1.00 25.00 O ATOM 548 CB LEU A 38 22.257 29.650 3.914 1.00 25.00 C ATOM 549 CG LEU A 38 23.490 28.842 3.476 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.094 27.635 2.642 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.473 29.691 2.710 1.00 25.00 C ATOM 0 H LEU A 38 20.282 30.701 4.725 1.00 25.00 H new ATOM 0 HA LEU A 38 21.031 27.968 4.429 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.692 29.938 3.027 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.592 30.571 4.391 1.00 25.00 H new ATOM 0 HG LEU A 38 23.975 28.494 4.388 1.00 25.00 H new ATOM 0 HD11 LEU A 38 23.989 27.086 2.349 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.445 26.985 3.228 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.564 27.968 1.750 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.329 29.083 2.419 1.00 25.00 H new ATOM 0 HD22 LEU A 38 23.991 30.090 1.817 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.810 30.515 3.339 1.00 25.00 H new ATOM 563 N LYS A 39 22.208 29.513 7.062 1.00 25.00 N ATOM 564 CA LYS A 39 22.795 29.176 8.369 1.00 25.00 C ATOM 565 C LYS A 39 21.867 28.263 9.156 1.00 25.00 C ATOM 566 O LYS A 39 22.335 27.469 9.963 1.00 25.00 O ATOM 567 CB LYS A 39 23.192 30.418 9.188 1.00 25.00 C ATOM 568 CG LYS A 39 22.118 31.489 9.297 1.00 25.00 C ATOM 569 CD LYS A 39 22.391 32.519 10.379 1.00 25.00 C ATOM 570 CE LYS A 39 23.505 33.477 9.966 1.00 25.00 C ATOM 571 NZ LYS A 39 23.677 34.563 10.989 1.00 25.00 N ATOM 0 H LYS A 39 21.946 30.491 6.941 1.00 25.00 H new ATOM 0 HA LYS A 39 23.722 28.639 8.170 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.468 30.098 10.193 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.081 30.861 8.739 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.026 31.998 8.338 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.159 31.011 9.497 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.481 33.083 10.585 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.668 32.013 11.304 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.439 32.928 9.851 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.272 33.917 8.996 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.439 35.204 10.690 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.790 35.098 11.080 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 23.921 34.140 11.907 1.00 25.00 H new ATOM 585 N GLU A 40 20.574 28.335 8.885 1.00 25.00 N ATOM 586 CA GLU A 40 19.619 27.428 9.518 1.00 25.00 C ATOM 587 C GLU A 40 19.678 26.021 8.902 1.00 25.00 C ATOM 588 O GLU A 40 19.829 25.031 9.615 1.00 25.00 O ATOM 589 CB GLU A 40 18.203 27.987 9.371 1.00 25.00 C ATOM 590 CG GLU A 40 17.932 29.183 10.270 1.00 25.00 C ATOM 591 CD GLU A 40 16.526 29.727 10.093 1.00 25.00 C ATOM 592 OE1 GLU A 40 15.764 29.735 11.081 1.00 25.00 O ATOM 593 OE2 GLU A 40 16.187 30.156 8.967 1.00 25.00 O ATOM 0 H GLU A 40 20.160 29.005 8.237 1.00 25.00 H new ATOM 0 HA GLU A 40 19.884 27.348 10.572 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.040 28.277 8.333 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.484 27.200 9.598 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.079 28.894 11.311 1.00 25.00 H new ATOM 0 HG3 GLU A 40 18.654 29.970 10.052 1.00 25.00 H new ATOM 600 N ARG A 41 19.549 25.922 7.583 1.00 25.00 N ATOM 601 CA ARG A 41 19.499 24.596 6.926 1.00 25.00 C ATOM 602 C ARG A 41 20.837 23.915 6.694 1.00 25.00 C ATOM 603 O ARG A 41 20.925 22.692 6.599 1.00 25.00 O ATOM 604 CB ARG A 41 18.744 24.682 5.598 1.00 25.00 C ATOM 605 CG ARG A 41 19.464 25.313 4.403 1.00 25.00 C ATOM 606 CD ARG A 41 18.488 25.418 3.217 1.00 25.00 C ATOM 607 NE ARG A 41 19.034 26.162 2.066 1.00 25.00 N ATOM 608 CZ ARG A 41 18.378 26.409 0.929 1.00 25.00 C ATOM 609 NH1 ARG A 41 17.171 25.939 0.700 1.00 25.00 N ATOM 610 NH2 ARG A 41 18.936 27.154 0.012 1.00 25.00 N ATOM 0 H ARG A 41 19.478 26.718 6.949 1.00 25.00 H new ATOM 0 HA ARG A 41 18.974 23.968 7.646 1.00 25.00 H new ATOM 0 HB2 ARG A 41 18.449 23.671 5.315 1.00 25.00 H new ATOM 0 HB3 ARG A 41 17.827 25.245 5.771 1.00 25.00 H new ATOM 0 HG2 ARG A 41 19.838 26.302 4.670 1.00 25.00 H new ATOM 0 HG3 ARG A 41 20.328 24.710 4.125 1.00 25.00 H new ATOM 0 HD2 ARG A 41 18.214 24.414 2.893 1.00 25.00 H new ATOM 0 HD3 ARG A 41 17.573 25.905 3.553 1.00 25.00 H new ATOM 0 HE ARG A 41 19.988 26.516 2.145 1.00 25.00 H new ATOM 0 HH11 ARG A 41 16.705 25.365 1.403 1.00 25.00 H new ATOM 0 HH12 ARG A 41 16.701 26.149 -0.181 1.00 25.00 H new ATOM 0 HH21 ARG A 41 19.866 27.542 0.167 1.00 25.00 H new ATOM 0 HH22 ARG A 41 18.441 27.347 -0.859 1.00 25.00 H new ATOM 624 N ASN A 42 21.855 24.725 6.519 1.00 25.00 N ATOM 625 CA ASN A 42 23.208 24.248 6.208 1.00 25.00 C ATOM 626 C ASN A 42 24.329 24.997 6.947 1.00 25.00 C ATOM 627 O ASN A 42 25.129 25.707 6.317 1.00 25.00 O ATOM 628 CB ASN A 42 23.456 24.378 4.704 1.00 25.00 C ATOM 629 CG ASN A 42 24.570 23.492 4.228 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.269 22.877 5.003 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.732 23.416 2.945 1.00 25.00 N ATOM 0 H ASN A 42 21.781 25.740 6.586 1.00 25.00 H new ATOM 0 HA ASN A 42 23.243 23.212 6.544 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.542 24.129 4.165 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.693 25.415 4.466 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.467 22.824 2.558 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.125 23.948 2.322 1.00 25.00 H new ATOM 638 N PRO A 43 24.437 24.819 8.277 1.00 25.00 N ATOM 639 CA PRO A 43 25.525 25.556 8.939 1.00 25.00 C ATOM 640 C PRO A 43 26.975 25.353 8.424 1.00 25.00 C ATOM 641 O PRO A 43 27.719 26.331 8.384 1.00 25.00 O ATOM 642 CB PRO A 43 25.375 25.160 10.418 1.00 25.00 C ATOM 643 CG PRO A 43 24.577 23.898 10.411 1.00 25.00 C ATOM 644 CD PRO A 43 23.648 24.028 9.241 1.00 25.00 C ATOM 0 HA PRO A 43 25.409 26.618 8.724 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.348 25.007 10.884 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.869 25.942 10.985 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.221 23.025 10.307 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.023 23.777 11.342 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.372 23.055 8.835 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.722 24.533 9.515 1.00 25.00 H new ATOM 652 N PRO A 44 27.389 24.135 7.976 1.00 25.00 N ATOM 653 CA PRO A 44 28.777 24.156 7.488 1.00 25.00 C ATOM 654 C PRO A 44 29.018 24.941 6.187 1.00 25.00 C ATOM 655 O PRO A 44 30.105 25.482 5.989 1.00 25.00 O ATOM 656 CB PRO A 44 29.098 22.671 7.296 1.00 25.00 C ATOM 657 CG PRO A 44 27.813 22.060 6.979 1.00 25.00 C ATOM 658 CD PRO A 44 26.829 22.769 7.878 1.00 25.00 C ATOM 0 HA PRO A 44 29.417 24.681 8.197 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.818 22.521 6.492 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.532 22.239 8.198 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.558 22.193 5.928 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.825 20.987 7.171 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.825 22.774 7.453 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.759 22.291 8.855 1.00 25.00 H new ATOM 666 N LEU A 45 28.034 25.043 5.296 1.00 25.00 N ATOM 667 CA LEU A 45 28.229 25.876 4.105 1.00 25.00 C ATOM 668 C LEU A 45 28.117 27.330 4.517 1.00 25.00 C ATOM 669 O LEU A 45 28.816 28.198 4.002 1.00 25.00 O ATOM 670 CB LEU A 45 27.214 25.559 3.013 1.00 25.00 C ATOM 671 CG LEU A 45 27.400 26.324 1.683 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.808 26.162 1.086 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.365 25.830 0.673 1.00 25.00 C ATOM 0 H LEU A 45 27.127 24.581 5.366 1.00 25.00 H new ATOM 0 HA LEU A 45 29.215 25.669 3.690 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.254 24.490 2.805 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.216 25.772 3.397 1.00 25.00 H new ATOM 0 HG LEU A 45 27.265 27.384 1.899 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.875 26.723 0.154 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.548 26.541 1.791 1.00 25.00 H new ATOM 0 HD13 LEU A 45 29.001 25.107 0.890 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.490 26.366 -0.268 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.503 24.762 0.504 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.363 26.010 1.062 1.00 25.00 H new ATOM 685 N ALA A 46 27.235 27.592 5.464 1.00 25.00 N ATOM 686 CA ALA A 46 27.057 28.943 5.947 1.00 25.00 C ATOM 687 C ALA A 46 28.328 29.500 6.585 1.00 25.00 C ATOM 688 O ALA A 46 28.726 30.588 6.242 1.00 25.00 O ATOM 689 CB ALA A 46 25.923 29.003 6.915 1.00 25.00 C ATOM 0 H ALA A 46 26.638 26.894 5.908 1.00 25.00 H new ATOM 0 HA ALA A 46 26.827 29.567 5.084 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.801 30.026 7.270 1.00 25.00 H new ATOM 0 HB2 ALA A 46 25.006 28.678 6.422 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.132 28.348 7.761 1.00 25.00 H new ATOM 695 N GLU A 47 28.972 28.771 7.492 1.00 25.00 N ATOM 696 CA GLU A 47 30.177 29.296 8.161 1.00 25.00 C ATOM 697 C GLU A 47 31.275 29.631 7.150 1.00 25.00 C ATOM 698 O GLU A 47 32.038 30.576 7.331 1.00 25.00 O ATOM 699 CB GLU A 47 30.713 28.331 9.231 1.00 25.00 C ATOM 700 CG GLU A 47 31.230 26.999 8.699 1.00 25.00 C ATOM 701 CD GLU A 47 31.868 26.147 9.775 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.950 26.534 10.270 1.00 25.00 O ATOM 703 OE2 GLU A 47 31.325 25.067 10.091 1.00 25.00 O ATOM 0 H GLU A 47 28.694 27.833 7.782 1.00 25.00 H new ATOM 0 HA GLU A 47 29.877 30.215 8.664 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.519 28.826 9.773 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.919 28.134 9.951 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.405 26.448 8.247 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.958 27.186 7.910 1.00 25.00 H new ATOM 710 N ALA A 48 31.316 28.886 6.056 1.00 25.00 N ATOM 711 CA ALA A 48 32.245 29.129 4.985 1.00 25.00 C ATOM 712 C ALA A 48 31.990 30.500 4.345 1.00 25.00 C ATOM 713 O ALA A 48 32.922 31.244 4.045 1.00 25.00 O ATOM 714 CB ALA A 48 32.109 28.004 3.949 1.00 25.00 C ATOM 0 H ALA A 48 30.697 28.092 5.894 1.00 25.00 H new ATOM 0 HA ALA A 48 33.262 29.138 5.377 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.808 28.176 3.131 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.331 27.047 4.420 1.00 25.00 H new ATOM 0 HB3 ALA A 48 31.091 27.989 3.559 1.00 25.00 H new ATOM 720 N LEU A 49 30.717 30.831 4.189 1.00 25.00 N ATOM 721 CA LEU A 49 30.293 32.114 3.633 1.00 25.00 C ATOM 722 C LEU A 49 30.575 33.242 4.618 1.00 25.00 C ATOM 723 O LEU A 49 31.068 34.299 4.234 1.00 25.00 O ATOM 724 CB LEU A 49 28.783 32.076 3.356 1.00 25.00 C ATOM 725 CG LEU A 49 28.190 33.338 2.721 1.00 25.00 C ATOM 726 CD1 LEU A 49 28.374 33.302 1.216 1.00 25.00 C ATOM 727 CD2 LEU A 49 26.713 33.441 3.087 1.00 25.00 C ATOM 0 H LEU A 49 29.943 30.217 4.444 1.00 25.00 H new ATOM 0 HA LEU A 49 30.846 32.291 2.711 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.574 31.230 2.701 1.00 25.00 H new ATOM 0 HB3 LEU A 49 28.265 31.887 4.296 1.00 25.00 H new ATOM 0 HG LEU A 49 28.709 34.218 3.102 1.00 25.00 H new ATOM 0 HD11 LEU A 49 27.949 34.204 0.776 1.00 25.00 H new ATOM 0 HD12 LEU A 49 29.437 33.250 0.981 1.00 25.00 H new ATOM 0 HD13 LEU A 49 27.869 32.426 0.809 1.00 25.00 H new ATOM 0 HD21 LEU A 49 26.288 34.338 2.637 1.00 25.00 H new ATOM 0 HD22 LEU A 49 26.184 32.563 2.716 1.00 25.00 H new ATOM 0 HD23 LEU A 49 26.610 33.495 4.171 1.00 25.00 H new ATOM 739 N LEU A 50 30.257 33.013 5.890 1.00 25.00 N ATOM 740 CA LEU A 50 30.390 34.047 6.927 1.00 25.00 C ATOM 741 C LEU A 50 31.846 34.444 7.088 1.00 25.00 C ATOM 742 O LEU A 50 32.171 35.560 7.467 1.00 25.00 O ATOM 743 CB LEU A 50 29.891 33.545 8.296 1.00 25.00 C ATOM 744 CG LEU A 50 28.504 32.892 8.430 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.132 32.774 9.890 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.413 33.597 7.640 1.00 25.00 C ATOM 0 H LEU A 50 29.904 32.120 6.233 1.00 25.00 H new ATOM 0 HA LEU A 50 29.787 34.896 6.607 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.623 32.824 8.660 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.914 34.395 8.978 1.00 25.00 H new ATOM 0 HG LEU A 50 28.581 31.898 7.989 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.149 32.311 9.979 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.870 32.160 10.405 1.00 25.00 H new ATOM 0 HD13 LEU A 50 28.108 33.766 10.341 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.466 33.078 7.785 1.00 25.00 H new ATOM 0 HD22 LEU A 50 27.320 34.626 7.987 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.670 33.593 6.581 1.00 25.00 H new ATOM 758 N SER A 51 32.717 33.490 6.818 1.00 25.00 N ATOM 759 CA SER A 51 34.151 33.674 6.955 1.00 25.00 C ATOM 760 C SER A 51 34.743 34.494 5.809 1.00 25.00 C ATOM 761 O SER A 51 35.849 35.010 5.927 1.00 25.00 O ATOM 762 CB SER A 51 34.789 32.306 6.972 1.00 25.00 C ATOM 763 OG SER A 51 36.163 32.365 7.328 1.00 25.00 O ATOM 0 H SER A 51 32.449 32.560 6.496 1.00 25.00 H new ATOM 0 HA SER A 51 34.347 34.223 7.876 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.258 31.667 7.678 1.00 25.00 H new ATOM 0 HB3 SER A 51 34.688 31.847 5.989 1.00 25.00 H new ATOM 0 HG SER A 51 36.713 32.311 6.519 1.00 25.00 H new ATOM 769 N GLY A 52 34.017 34.591 4.702 1.00 25.00 N ATOM 770 CA GLY A 52 34.418 35.436 3.584 1.00 25.00 C ATOM 771 C GLY A 52 35.291 34.754 2.551 1.00 25.00 C ATOM 772 O GLY A 52 35.348 35.175 1.397 1.00 25.00 O ATOM 0 H GLY A 52 33.141 34.091 4.554 1.00 25.00 H new ATOM 0 HA2 GLY A 52 33.521 35.811 3.090 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.952 36.302 3.975 1.00 25.00 H new ATOM 776 N ASP A 53 35.979 33.703 2.965 1.00 25.00 N ATOM 777 CA ASP A 53 36.886 32.990 2.072 1.00 25.00 C ATOM 778 C ASP A 53 36.131 32.244 0.977 1.00 25.00 C ATOM 779 O ASP A 53 35.404 31.287 1.247 1.00 25.00 O ATOM 780 CB ASP A 53 37.732 31.992 2.847 1.00 25.00 C ATOM 781 CG ASP A 53 38.976 31.592 2.102 1.00 25.00 C ATOM 782 OD1 ASP A 53 39.754 30.797 2.655 1.00 25.00 O ATOM 783 OD2 ASP A 53 39.129 31.997 0.927 1.00 25.00 O ATOM 0 H ASP A 53 35.929 33.323 3.910 1.00 25.00 H new ATOM 0 HA ASP A 53 37.527 33.741 1.610 1.00 25.00 H new ATOM 0 HB2 ASP A 53 38.011 32.425 3.808 1.00 25.00 H new ATOM 0 HB3 ASP A 53 37.137 31.103 3.059 1.00 25.00 H new ATOM 788 N LEU A 54 36.322 32.655 -0.267 1.00 25.00 N ATOM 789 CA LEU A 54 35.693 31.956 -1.379 1.00 25.00 C ATOM 790 C LEU A 54 36.245 30.539 -1.440 1.00 25.00 C ATOM 791 O LEU A 54 35.523 29.614 -1.755 1.00 25.00 O ATOM 792 CB LEU A 54 35.957 32.675 -2.702 1.00 25.00 C ATOM 793 CG LEU A 54 35.276 32.117 -3.974 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.096 31.033 -4.680 1.00 25.00 C ATOM 795 CD2 LEU A 54 33.838 31.626 -3.740 1.00 25.00 C ATOM 0 H LEU A 54 36.897 33.455 -0.531 1.00 25.00 H new ATOM 0 HA LEU A 54 34.615 31.935 -1.221 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.649 33.714 -2.586 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.034 32.678 -2.872 1.00 25.00 H new ATOM 0 HG LEU A 54 35.224 32.979 -4.639 1.00 25.00 H new ATOM 0 HD11 LEU A 54 35.558 30.687 -5.563 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.060 31.443 -4.980 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.254 30.196 -4.000 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.425 31.249 -4.676 1.00 25.00 H new ATOM 0 HD22 LEU A 54 33.842 30.828 -2.998 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.225 32.453 -3.380 1.00 25.00 H new ATOM 807 N GLU A 55 37.514 30.370 -1.111 1.00 25.00 N ATOM 808 CA GLU A 55 38.134 29.045 -1.169 1.00 25.00 C ATOM 809 C GLU A 55 37.381 28.064 -0.285 1.00 25.00 C ATOM 810 O GLU A 55 36.962 26.997 -0.741 1.00 25.00 O ATOM 811 CB GLU A 55 39.592 29.100 -0.714 1.00 25.00 C ATOM 812 CG GLU A 55 40.479 29.997 -1.549 1.00 25.00 C ATOM 813 CD GLU A 55 40.933 29.330 -2.843 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.076 29.066 -3.719 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.148 29.072 -2.988 1.00 25.00 O ATOM 0 H GLU A 55 38.134 31.119 -0.804 1.00 25.00 H new ATOM 0 HA GLU A 55 38.094 28.711 -2.206 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.623 29.441 0.321 1.00 25.00 H new ATOM 0 HB3 GLU A 55 40.002 28.090 -0.729 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.941 30.915 -1.787 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.354 30.282 -0.965 1.00 25.00 H new ATOM 822 N LYS A 56 37.160 28.429 0.974 1.00 25.00 N ATOM 823 CA LYS A 56 36.411 27.541 1.872 1.00 25.00 C ATOM 824 C LYS A 56 34.963 27.423 1.427 1.00 25.00 C ATOM 825 O LYS A 56 34.395 26.347 1.506 1.00 25.00 O ATOM 826 CB LYS A 56 36.538 27.948 3.357 1.00 25.00 C ATOM 827 CG LYS A 56 35.718 29.059 3.840 1.00 25.00 C ATOM 828 CD LYS A 56 36.307 29.592 5.147 1.00 25.00 C ATOM 829 CE LYS A 56 35.905 28.747 6.368 1.00 25.00 C ATOM 830 NZ LYS A 56 36.426 29.351 7.645 1.00 25.00 N ATOM 0 H LYS A 56 37.475 29.305 1.391 1.00 25.00 H new ATOM 0 HA LYS A 56 36.862 26.551 1.801 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.304 27.073 3.964 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.582 28.197 3.546 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.684 29.852 3.093 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.692 28.727 3.999 1.00 25.00 H new ATOM 0 HD2 LYS A 56 37.394 29.615 5.068 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.977 30.620 5.297 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.819 28.668 6.417 1.00 25.00 H new ATOM 0 HE3 LYS A 56 36.294 27.735 6.257 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.773 29.133 8.424 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 37.364 28.956 7.859 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 36.502 30.382 7.535 1.00 25.00 H new ATOM 844 N PHE A 57 34.382 28.493 0.905 1.00 25.00 N ATOM 845 CA PHE A 57 33.005 28.429 0.419 1.00 25.00 C ATOM 846 C PHE A 57 32.881 27.427 -0.724 1.00 25.00 C ATOM 847 O PHE A 57 32.043 26.544 -0.675 1.00 25.00 O ATOM 848 CB PHE A 57 32.505 29.806 -0.022 1.00 25.00 C ATOM 849 CG PHE A 57 31.084 29.794 -0.508 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.017 29.817 0.407 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.801 29.738 -1.887 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.676 29.786 -0.046 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.464 29.706 -2.347 1.00 25.00 C ATOM 854 CZ PHE A 57 28.404 29.734 -1.426 1.00 25.00 C ATOM 0 H PHE A 57 34.831 29.404 0.806 1.00 25.00 H new ATOM 0 HA PHE A 57 32.379 28.093 1.246 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.590 30.501 0.814 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.150 30.182 -0.816 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.222 29.859 1.466 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.613 29.719 -2.599 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.864 29.802 0.666 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.258 29.660 -3.406 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.382 29.716 -1.776 1.00 25.00 H new ATOM 864 N SER A 58 33.745 27.533 -1.720 1.00 25.00 N ATOM 865 CA SER A 58 33.753 26.630 -2.867 1.00 25.00 C ATOM 866 C SER A 58 34.038 25.200 -2.455 1.00 25.00 C ATOM 867 O SER A 58 33.386 24.261 -2.915 1.00 25.00 O ATOM 868 CB SER A 58 34.841 27.081 -3.849 1.00 25.00 C ATOM 869 OG SER A 58 34.914 26.216 -4.966 1.00 25.00 O ATOM 0 H SER A 58 34.467 28.252 -1.759 1.00 25.00 H new ATOM 0 HA SER A 58 32.766 26.664 -3.329 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.632 28.097 -4.185 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.805 27.105 -3.341 1.00 25.00 H new ATOM 0 HG SER A 58 35.615 26.528 -5.576 1.00 25.00 H new ATOM 875 N ARG A 59 34.999 25.029 -1.566 1.00 25.00 N ATOM 876 CA ARG A 59 35.375 23.698 -1.120 1.00 25.00 C ATOM 877 C ARG A 59 34.209 23.032 -0.417 1.00 25.00 C ATOM 878 O ARG A 59 33.912 21.884 -0.673 1.00 25.00 O ATOM 879 CB ARG A 59 36.594 23.777 -0.202 1.00 25.00 C ATOM 880 CG ARG A 59 37.130 22.402 0.240 1.00 25.00 C ATOM 881 CD ARG A 59 36.579 21.956 1.597 1.00 25.00 C ATOM 882 NE ARG A 59 36.525 20.486 1.710 1.00 25.00 N ATOM 883 CZ ARG A 59 36.298 19.811 2.833 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.104 20.412 3.982 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.256 18.509 2.799 1.00 25.00 N ATOM 0 H ARG A 59 35.531 25.788 -1.140 1.00 25.00 H new ATOM 0 HA ARG A 59 35.639 23.093 -1.988 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.389 24.319 -0.715 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.333 24.357 0.684 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.872 21.658 -0.514 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.218 22.441 0.290 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.204 22.359 2.394 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.580 22.368 1.737 1.00 25.00 H new ATOM 0 HE ARG A 59 36.674 19.944 0.859 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.124 21.430 4.035 1.00 25.00 H new ATOM 0 HH12 ARG A 59 35.933 19.861 4.823 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.397 18.017 1.917 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.083 17.982 3.655 1.00 25.00 H new ATOM 899 N VAL A 60 33.533 23.745 0.464 1.00 25.00 N ATOM 900 CA VAL A 60 32.403 23.164 1.173 1.00 25.00 C ATOM 901 C VAL A 60 31.239 22.996 0.195 1.00 25.00 C ATOM 902 O VAL A 60 30.480 22.047 0.301 1.00 25.00 O ATOM 903 CB VAL A 60 31.995 24.009 2.412 1.00 25.00 C ATOM 904 CG1 VAL A 60 30.786 23.393 3.113 1.00 25.00 C ATOM 905 CG2 VAL A 60 33.167 24.074 3.413 1.00 25.00 C ATOM 0 H VAL A 60 33.740 24.714 0.705 1.00 25.00 H new ATOM 0 HA VAL A 60 32.693 22.187 1.559 1.00 25.00 H new ATOM 0 HB VAL A 60 31.740 25.011 2.068 1.00 25.00 H new ATOM 0 HG11 VAL A 60 30.518 24.001 3.977 1.00 25.00 H new ATOM 0 HG12 VAL A 60 29.945 23.355 2.421 1.00 25.00 H new ATOM 0 HG13 VAL A 60 31.031 22.383 3.442 1.00 25.00 H new ATOM 0 HG21 VAL A 60 32.874 24.668 4.279 1.00 25.00 H new ATOM 0 HG22 VAL A 60 33.426 23.066 3.736 1.00 25.00 H new ATOM 0 HG23 VAL A 60 34.030 24.535 2.933 1.00 25.00 H new ATOM 915 N LEU A 61 31.118 23.884 -0.780 1.00 25.00 N ATOM 916 CA LEU A 61 30.041 23.792 -1.767 1.00 25.00 C ATOM 917 C LEU A 61 30.056 22.457 -2.500 1.00 25.00 C ATOM 918 O LEU A 61 29.022 21.816 -2.617 1.00 25.00 O ATOM 919 CB LEU A 61 30.147 24.929 -2.790 1.00 25.00 C ATOM 920 CG LEU A 61 28.895 25.148 -3.646 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.108 26.298 -3.065 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.247 25.466 -5.087 1.00 25.00 C ATOM 0 H LEU A 61 31.747 24.676 -0.913 1.00 25.00 H new ATOM 0 HA LEU A 61 29.102 23.875 -1.220 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.373 25.854 -2.260 1.00 25.00 H new ATOM 0 HB3 LEU A 61 30.990 24.726 -3.451 1.00 25.00 H new ATOM 0 HG LEU A 61 28.309 24.229 -3.639 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.213 26.466 -3.664 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.820 26.061 -2.041 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.722 27.198 -3.070 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.332 25.614 -5.661 1.00 25.00 H new ATOM 0 HD22 LEU A 61 29.849 26.374 -5.123 1.00 25.00 H new ATOM 0 HD23 LEU A 61 29.813 24.638 -5.514 1.00 25.00 H new ATOM 934 N VAL A 62 31.214 22.023 -2.979 1.00 25.00 N ATOM 935 CA VAL A 62 31.276 20.755 -3.716 1.00 25.00 C ATOM 936 C VAL A 62 31.061 19.562 -2.778 1.00 25.00 C ATOM 937 O VAL A 62 30.410 18.589 -3.143 1.00 25.00 O ATOM 938 CB VAL A 62 32.598 20.621 -4.547 1.00 25.00 C ATOM 939 CG1 VAL A 62 33.844 20.539 -3.662 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.526 19.403 -5.470 1.00 25.00 C ATOM 0 H VAL A 62 32.104 22.510 -2.878 1.00 25.00 H new ATOM 0 HA VAL A 62 30.459 20.755 -4.438 1.00 25.00 H new ATOM 0 HB VAL A 62 32.689 21.527 -5.146 1.00 25.00 H new ATOM 0 HG11 VAL A 62 34.731 20.447 -4.289 1.00 25.00 H new ATOM 0 HG12 VAL A 62 33.920 21.442 -3.056 1.00 25.00 H new ATOM 0 HG13 VAL A 62 33.770 19.669 -3.009 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.451 19.324 -6.040 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.389 18.501 -4.873 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.686 19.515 -6.155 1.00 25.00 H new ATOM 950 N GLU A 63 31.531 19.661 -1.547 1.00 25.00 N ATOM 951 CA GLU A 63 31.301 18.607 -0.549 1.00 25.00 C ATOM 952 C GLU A 63 29.801 18.485 -0.292 1.00 25.00 C ATOM 953 O GLU A 63 29.237 17.391 -0.247 1.00 25.00 O ATOM 954 CB GLU A 63 32.005 18.959 0.762 1.00 25.00 C ATOM 955 CG GLU A 63 33.516 19.023 0.658 1.00 25.00 C ATOM 956 CD GLU A 63 34.198 17.671 0.604 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.594 16.660 0.999 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.404 17.649 0.252 1.00 25.00 O ATOM 0 H GLU A 63 32.074 20.454 -1.206 1.00 25.00 H new ATOM 0 HA GLU A 63 31.698 17.664 -0.926 1.00 25.00 H new ATOM 0 HB2 GLU A 63 31.635 19.922 1.113 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.735 18.220 1.516 1.00 25.00 H new ATOM 0 HG2 GLU A 63 33.783 19.587 -0.236 1.00 25.00 H new ATOM 0 HG3 GLU A 63 33.904 19.578 1.512 1.00 25.00 H new