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 78:sc= 1.62 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -179:sc= 0.839 (180deg=0.444) USER MOD Single : A 27 MET CE :methyl -143:sc= 0 (180deg=-0.323) USER MOD Single : A 31 ASN : amide:sc= -1.25 K(o=-1.2,f=-4.6!) USER MOD Single : A 33 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0.028) USER MOD Single : A 36 SER OG : rot -23:sc= 0.881 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0245 K(o=-0.025,f=-3.2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 272 N PRO A 21 30.466 28.923 -7.599 1.00 25.00 N ATOM 273 CA PRO A 21 30.457 29.244 -6.169 1.00 25.00 C ATOM 274 C PRO A 21 30.750 30.711 -5.911 1.00 25.00 C ATOM 275 O PRO A 21 30.253 31.278 -4.958 1.00 25.00 O ATOM 276 CB PRO A 21 31.591 28.376 -5.611 1.00 25.00 C ATOM 277 CG PRO A 21 32.446 28.111 -6.759 1.00 25.00 C ATOM 278 CD PRO A 21 31.545 27.974 -7.917 1.00 25.00 C ATOM 0 HA PRO A 21 29.485 29.056 -5.712 1.00 25.00 H new ATOM 0 HB2 PRO A 21 32.136 28.894 -4.822 1.00 25.00 H new ATOM 0 HB3 PRO A 21 31.208 27.451 -5.180 1.00 25.00 H new ATOM 0 HG2 PRO A 21 33.156 28.924 -6.912 1.00 25.00 H new ATOM 0 HG3 PRO A 21 33.029 27.202 -6.609 1.00 25.00 H new ATOM 0 HD2 PRO A 21 32.045 28.227 -8.852 1.00 25.00 H new ATOM 0 HD3 PRO A 21 31.171 26.955 -8.021 1.00 25.00 H new ATOM 286 N ALA A 22 31.552 31.330 -6.767 1.00 25.00 N ATOM 287 CA ALA A 22 31.905 32.732 -6.594 1.00 25.00 C ATOM 288 C ALA A 22 30.664 33.619 -6.678 1.00 25.00 C ATOM 289 O ALA A 22 30.478 34.504 -5.854 1.00 25.00 O ATOM 290 CB ALA A 22 32.935 33.146 -7.652 1.00 25.00 C ATOM 0 H ALA A 22 31.969 30.885 -7.585 1.00 25.00 H new ATOM 0 HA ALA A 22 32.344 32.861 -5.605 1.00 25.00 H new ATOM 0 HB1 ALA A 22 33.194 34.196 -7.516 1.00 25.00 H new ATOM 0 HB2 ALA A 22 33.831 32.534 -7.546 1.00 25.00 H new ATOM 0 HB3 ALA A 22 32.513 33.002 -8.647 1.00 25.00 H new ATOM 296 N LEU A 23 29.820 33.364 -7.668 1.00 25.00 N ATOM 297 CA LEU A 23 28.623 34.183 -7.870 1.00 25.00 C ATOM 298 C LEU A 23 27.596 33.882 -6.790 1.00 25.00 C ATOM 299 O LEU A 23 26.931 34.780 -6.289 1.00 25.00 O ATOM 300 CB LEU A 23 28.000 33.925 -9.249 1.00 25.00 C ATOM 301 CG LEU A 23 28.892 34.120 -10.492 1.00 25.00 C ATOM 302 CD1 LEU A 23 28.055 33.868 -11.747 1.00 25.00 C ATOM 303 CD2 LEU A 23 29.525 35.497 -10.583 1.00 25.00 C ATOM 0 H LEU A 23 29.936 32.606 -8.340 1.00 25.00 H new ATOM 0 HA LEU A 23 28.922 35.230 -7.813 1.00 25.00 H new ATOM 0 HB2 LEU A 23 27.628 32.900 -9.262 1.00 25.00 H new ATOM 0 HB3 LEU A 23 27.134 34.579 -9.353 1.00 25.00 H new ATOM 0 HG LEU A 23 29.712 33.407 -10.406 1.00 25.00 H new ATOM 0 HD11 LEU A 23 28.677 34.003 -12.632 1.00 25.00 H new ATOM 0 HD12 LEU A 23 27.668 32.849 -11.728 1.00 25.00 H new ATOM 0 HD13 LEU A 23 27.223 34.572 -11.777 1.00 25.00 H new ATOM 0 HD21 LEU A 23 30.137 35.557 -11.483 1.00 25.00 H new ATOM 0 HD22 LEU A 23 28.743 36.255 -10.625 1.00 25.00 H new ATOM 0 HD23 LEU A 23 30.150 35.669 -9.707 1.00 25.00 H new ATOM 315 N LEU A 24 27.481 32.616 -6.411 1.00 25.00 N ATOM 316 CA LEU A 24 26.535 32.227 -5.373 1.00 25.00 C ATOM 317 C LEU A 24 26.936 32.830 -4.032 1.00 25.00 C ATOM 318 O LEU A 24 26.094 33.334 -3.300 1.00 25.00 O ATOM 319 CB LEU A 24 26.461 30.701 -5.269 1.00 25.00 C ATOM 320 CG LEU A 24 25.470 30.131 -4.235 1.00 25.00 C ATOM 321 CD1 LEU A 24 24.085 30.774 -4.316 1.00 25.00 C ATOM 322 CD2 LEU A 24 25.344 28.625 -4.423 1.00 25.00 C ATOM 0 H LEU A 24 28.025 31.847 -6.802 1.00 25.00 H new ATOM 0 HA LEU A 24 25.550 32.608 -5.642 1.00 25.00 H new ATOM 0 HB2 LEU A 24 26.197 30.304 -6.249 1.00 25.00 H new ATOM 0 HB3 LEU A 24 27.456 30.326 -5.031 1.00 25.00 H new ATOM 0 HG LEU A 24 25.872 30.362 -3.249 1.00 25.00 H new ATOM 0 HD11 LEU A 24 23.433 30.330 -3.563 1.00 25.00 H new ATOM 0 HD12 LEU A 24 24.170 31.846 -4.136 1.00 25.00 H new ATOM 0 HD13 LEU A 24 23.663 30.605 -5.307 1.00 25.00 H new ATOM 0 HD21 LEU A 24 24.643 28.224 -3.691 1.00 25.00 H new ATOM 0 HD22 LEU A 24 24.980 28.413 -5.428 1.00 25.00 H new ATOM 0 HD23 LEU A 24 26.319 28.158 -4.285 1.00 25.00 H new ATOM 334 N ARG A 25 28.228 32.826 -3.736 1.00 25.00 N ATOM 335 CA ARG A 25 28.744 33.437 -2.511 1.00 25.00 C ATOM 336 C ARG A 25 28.372 34.903 -2.510 1.00 25.00 C ATOM 337 O ARG A 25 27.927 35.439 -1.516 1.00 25.00 O ATOM 338 CB ARG A 25 30.274 33.290 -2.469 1.00 25.00 C ATOM 339 CG ARG A 25 30.946 33.857 -1.223 1.00 25.00 C ATOM 340 CD ARG A 25 32.324 34.413 -1.549 1.00 25.00 C ATOM 341 NE ARG A 25 32.228 35.642 -2.365 1.00 25.00 N ATOM 342 CZ ARG A 25 33.103 36.643 -2.361 1.00 25.00 C ATOM 343 NH1 ARG A 25 34.181 36.632 -1.615 1.00 25.00 N ATOM 344 NH2 ARG A 25 32.889 37.684 -3.115 1.00 25.00 N ATOM 0 H ARG A 25 28.944 32.405 -4.328 1.00 25.00 H new ATOM 0 HA ARG A 25 28.316 32.945 -1.638 1.00 25.00 H new ATOM 0 HB2 ARG A 25 30.524 32.232 -2.548 1.00 25.00 H new ATOM 0 HB3 ARG A 25 30.695 33.783 -3.346 1.00 25.00 H new ATOM 0 HG2 ARG A 25 30.324 34.644 -0.797 1.00 25.00 H new ATOM 0 HG3 ARG A 25 31.035 33.077 -0.467 1.00 25.00 H new ATOM 0 HD2 ARG A 25 32.860 34.629 -0.624 1.00 25.00 H new ATOM 0 HD3 ARG A 25 32.904 33.662 -2.086 1.00 25.00 H new ATOM 0 HE ARG A 25 31.422 35.729 -2.984 1.00 25.00 H new ATOM 0 HH11 ARG A 25 34.373 35.835 -1.008 1.00 25.00 H new ATOM 0 HH12 ARG A 25 34.827 37.421 -1.641 1.00 25.00 H new ATOM 0 HH21 ARG A 25 32.056 37.726 -3.702 1.00 25.00 H new ATOM 0 HH22 ARG A 25 33.555 38.457 -3.118 1.00 25.00 H new ATOM 358 N ASP A 26 28.559 35.549 -3.643 1.00 25.00 N ATOM 359 CA ASP A 26 28.295 36.975 -3.755 1.00 25.00 C ATOM 360 C ASP A 26 26.809 37.312 -3.554 1.00 25.00 C ATOM 361 O ASP A 26 26.467 38.225 -2.805 1.00 25.00 O ATOM 362 CB ASP A 26 28.778 37.444 -5.116 1.00 25.00 C ATOM 363 CG ASP A 26 29.489 38.772 -5.045 1.00 25.00 C ATOM 364 OD1 ASP A 26 28.990 39.774 -5.587 1.00 25.00 O ATOM 365 OD2 ASP A 26 30.595 38.793 -4.448 1.00 25.00 O ATOM 0 H ASP A 26 28.893 35.112 -4.502 1.00 25.00 H new ATOM 0 HA ASP A 26 28.833 37.495 -2.963 1.00 25.00 H new ATOM 0 HB2 ASP A 26 29.450 36.697 -5.538 1.00 25.00 H new ATOM 0 HB3 ASP A 26 27.927 37.526 -5.793 1.00 25.00 H new ATOM 370 N MET A 27 25.931 36.523 -4.160 1.00 25.00 N ATOM 371 CA MET A 27 24.481 36.692 -3.993 1.00 25.00 C ATOM 372 C MET A 27 24.070 36.468 -2.549 1.00 25.00 C ATOM 373 O MET A 27 23.263 37.205 -2.003 1.00 25.00 O ATOM 374 CB MET A 27 23.746 35.681 -4.868 1.00 25.00 C ATOM 375 CG MET A 27 22.240 35.878 -4.901 1.00 25.00 C ATOM 376 SD MET A 27 21.434 34.551 -5.814 1.00 25.00 S ATOM 377 CE MET A 27 21.363 33.262 -4.556 1.00 25.00 C ATOM 0 H MET A 27 26.193 35.754 -4.776 1.00 25.00 H new ATOM 0 HA MET A 27 24.223 37.710 -4.284 1.00 25.00 H new ATOM 0 HB2 MET A 27 24.134 35.745 -5.885 1.00 25.00 H new ATOM 0 HB3 MET A 27 23.964 34.676 -4.507 1.00 25.00 H new ATOM 0 HG2 MET A 27 21.852 35.911 -3.883 1.00 25.00 H new ATOM 0 HG3 MET A 27 22.005 36.837 -5.363 1.00 25.00 H new ATOM 0 HE1 MET A 27 21.533 32.291 -5.020 1.00 25.00 H new ATOM 0 HE2 MET A 27 22.131 33.444 -3.804 1.00 25.00 H new ATOM 0 HE3 MET A 27 20.382 33.270 -4.081 1.00 25.00 H new ATOM 387 N LEU A 28 24.621 35.434 -1.938 1.00 25.00 N ATOM 388 CA LEU A 28 24.290 35.096 -0.558 1.00 25.00 C ATOM 389 C LEU A 28 24.750 36.186 0.393 1.00 25.00 C ATOM 390 O LEU A 28 24.042 36.546 1.316 1.00 25.00 O ATOM 391 CB LEU A 28 24.939 33.788 -0.182 1.00 25.00 C ATOM 392 CG LEU A 28 24.142 32.571 -0.635 1.00 25.00 C ATOM 393 CD1 LEU A 28 25.052 31.401 -0.613 1.00 25.00 C ATOM 394 CD2 LEU A 28 22.947 32.333 0.273 1.00 25.00 C ATOM 0 H LEU A 28 25.301 34.811 -2.373 1.00 25.00 H new ATOM 0 HA LEU A 28 23.207 35.003 -0.479 1.00 25.00 H new ATOM 0 HB2 LEU A 28 25.936 33.745 -0.620 1.00 25.00 H new ATOM 0 HB3 LEU A 28 25.065 33.750 0.900 1.00 25.00 H new ATOM 0 HG LEU A 28 23.754 32.734 -1.641 1.00 25.00 H new ATOM 0 HD11 LEU A 28 24.509 30.512 -0.933 1.00 25.00 H new ATOM 0 HD12 LEU A 28 25.889 31.578 -1.289 1.00 25.00 H new ATOM 0 HD13 LEU A 28 25.428 31.252 0.399 1.00 25.00 H new ATOM 0 HD21 LEU A 28 22.396 31.459 -0.073 1.00 25.00 H new ATOM 0 HD22 LEU A 28 23.293 32.164 1.293 1.00 25.00 H new ATOM 0 HD23 LEU A 28 22.294 33.206 0.251 1.00 25.00 H new ATOM 406 N LEU A 29 25.929 36.730 0.138 1.00 25.00 N ATOM 407 CA LEU A 29 26.470 37.819 0.962 1.00 25.00 C ATOM 408 C LEU A 29 25.584 39.056 0.866 1.00 25.00 C ATOM 409 O LEU A 29 25.454 39.814 1.821 1.00 25.00 O ATOM 410 CB LEU A 29 27.887 38.192 0.504 1.00 25.00 C ATOM 411 CG LEU A 29 29.027 37.275 0.977 1.00 25.00 C ATOM 412 CD1 LEU A 29 30.285 37.548 0.155 1.00 25.00 C ATOM 413 CD2 LEU A 29 29.325 37.476 2.463 1.00 25.00 C ATOM 0 H LEU A 29 26.535 36.442 -0.630 1.00 25.00 H new ATOM 0 HA LEU A 29 26.500 37.469 1.994 1.00 25.00 H new ATOM 0 HB2 LEU A 29 27.898 38.215 -0.586 1.00 25.00 H new ATOM 0 HB3 LEU A 29 28.100 39.205 0.846 1.00 25.00 H new ATOM 0 HG LEU A 29 28.711 36.242 0.833 1.00 25.00 H new ATOM 0 HD11 LEU A 29 31.090 36.896 0.494 1.00 25.00 H new ATOM 0 HD12 LEU A 29 30.081 37.355 -0.898 1.00 25.00 H new ATOM 0 HD13 LEU A 29 30.584 38.589 0.282 1.00 25.00 H new ATOM 0 HD21 LEU A 29 30.136 36.813 2.765 1.00 25.00 H new ATOM 0 HD22 LEU A 29 29.619 38.511 2.638 1.00 25.00 H new ATOM 0 HD23 LEU A 29 28.433 37.248 3.047 1.00 25.00 H new ATOM 425 N ALA A 30 24.988 39.258 -0.296 1.00 25.00 N ATOM 426 CA ALA A 30 24.133 40.411 -0.531 1.00 25.00 C ATOM 427 C ALA A 30 22.696 40.216 -0.028 1.00 25.00 C ATOM 428 O ALA A 30 21.939 41.187 0.056 1.00 25.00 O ATOM 429 CB ALA A 30 24.119 40.733 -2.033 1.00 25.00 C ATOM 0 H ALA A 30 25.081 38.634 -1.098 1.00 25.00 H new ATOM 0 HA ALA A 30 24.551 41.241 0.040 1.00 25.00 H new ATOM 0 HB1 ALA A 30 23.479 41.597 -2.214 1.00 25.00 H new ATOM 0 HB2 ALA A 30 25.132 40.956 -2.367 1.00 25.00 H new ATOM 0 HB3 ALA A 30 23.735 39.875 -2.585 1.00 25.00 H new ATOM 435 N ASN A 31 22.300 38.976 0.237 1.00 25.00 N ATOM 436 CA ASN A 31 20.901 38.669 0.542 1.00 25.00 C ATOM 437 C ASN A 31 20.683 38.196 1.989 1.00 25.00 C ATOM 438 O ASN A 31 21.030 37.067 2.337 1.00 25.00 O ATOM 439 CB ASN A 31 20.419 37.599 -0.428 1.00 25.00 C ATOM 440 CG ASN A 31 18.930 37.496 -0.475 1.00 25.00 C ATOM 441 OD1 ASN A 31 18.241 37.687 0.526 1.00 25.00 O ATOM 442 ND2 ASN A 31 18.417 37.206 -1.637 1.00 25.00 N ATOM 0 H ASN A 31 22.922 38.168 0.248 1.00 25.00 H new ATOM 0 HA ASN A 31 20.329 39.590 0.432 1.00 25.00 H new ATOM 0 HB2 ASN A 31 20.796 37.822 -1.426 1.00 25.00 H new ATOM 0 HB3 ASN A 31 20.837 36.635 -0.137 1.00 25.00 H new ATOM 0 HD21 ASN A 31 17.405 37.129 -1.743 1.00 25.00 H new ATOM 0 HD22 ASN A 31 19.027 37.056 -2.441 1.00 25.00 H new ATOM 449 N PRO A 32 20.081 39.043 2.845 1.00 25.00 N ATOM 450 CA PRO A 32 19.969 38.645 4.256 1.00 25.00 C ATOM 451 C PRO A 32 19.056 37.448 4.561 1.00 25.00 C ATOM 452 O PRO A 32 19.302 36.716 5.513 1.00 25.00 O ATOM 453 CB PRO A 32 19.441 39.920 4.924 1.00 25.00 C ATOM 454 CG PRO A 32 18.691 40.620 3.841 1.00 25.00 C ATOM 455 CD PRO A 32 19.533 40.397 2.624 1.00 25.00 C ATOM 0 HA PRO A 32 20.931 38.285 4.619 1.00 25.00 H new ATOM 0 HB2 PRO A 32 18.794 39.687 5.770 1.00 25.00 H new ATOM 0 HB3 PRO A 32 20.255 40.536 5.306 1.00 25.00 H new ATOM 0 HG2 PRO A 32 17.690 40.207 3.716 1.00 25.00 H new ATOM 0 HG3 PRO A 32 18.573 41.682 4.057 1.00 25.00 H new ATOM 0 HD2 PRO A 32 18.943 40.449 1.709 1.00 25.00 H new ATOM 0 HD3 PRO A 32 20.323 41.143 2.537 1.00 25.00 H new ATOM 463 N HIS A 33 18.011 37.242 3.772 1.00 25.00 N ATOM 464 CA HIS A 33 17.086 36.128 4.008 1.00 25.00 C ATOM 465 C HIS A 33 17.712 34.812 3.553 1.00 25.00 C ATOM 466 O HIS A 33 17.547 33.757 4.157 1.00 25.00 O ATOM 467 CB HIS A 33 15.795 36.375 3.226 1.00 25.00 C ATOM 468 CG HIS A 33 14.765 35.301 3.399 1.00 25.00 C ATOM 469 ND1 HIS A 33 13.810 35.287 4.390 1.00 25.00 N ATOM 470 CD2 HIS A 33 14.530 34.176 2.667 1.00 25.00 C ATOM 471 CE1 HIS A 33 13.066 34.194 4.233 1.00 25.00 C ATOM 472 NE2 HIS A 33 13.457 33.484 3.193 1.00 25.00 N ATOM 0 H HIS A 33 17.778 37.824 2.967 1.00 25.00 H new ATOM 0 HA HIS A 33 16.870 36.063 5.074 1.00 25.00 H new ATOM 0 HB2 HIS A 33 15.368 37.328 3.540 1.00 25.00 H new ATOM 0 HB3 HIS A 33 16.035 36.467 2.167 1.00 25.00 H new ATOM 0 HD2 HIS A 33 15.100 33.870 1.802 1.00 25.00 H new ATOM 0 HE1 HIS A 33 12.244 33.922 4.878 1.00 25.00 H new ATOM 0 HE2 HIS A 33 13.054 32.612 2.851 1.00 25.00 H new ATOM 480 N GLU A 34 18.441 34.887 2.459 1.00 25.00 N ATOM 481 CA GLU A 34 19.006 33.703 1.845 1.00 25.00 C ATOM 482 C GLU A 34 20.210 33.241 2.644 1.00 25.00 C ATOM 483 O GLU A 34 20.488 32.055 2.750 1.00 25.00 O ATOM 484 CB GLU A 34 19.378 34.042 0.410 1.00 25.00 C ATOM 485 CG GLU A 34 18.364 33.575 -0.595 1.00 25.00 C ATOM 486 CD GLU A 34 16.933 33.968 -0.231 1.00 25.00 C ATOM 487 OE1 GLU A 34 16.616 35.177 -0.172 1.00 25.00 O ATOM 488 OE2 GLU A 34 16.116 33.051 -0.034 1.00 25.00 O ATOM 0 H GLU A 34 18.657 35.759 1.975 1.00 25.00 H new ATOM 0 HA GLU A 34 18.285 32.885 1.837 1.00 25.00 H new ATOM 0 HB2 GLU A 34 19.498 35.121 0.319 1.00 25.00 H new ATOM 0 HB3 GLU A 34 20.343 33.593 0.177 1.00 25.00 H new ATOM 0 HG2 GLU A 34 18.611 33.991 -1.572 1.00 25.00 H new ATOM 0 HG3 GLU A 34 18.424 32.490 -0.686 1.00 25.00 H new ATOM 495 N LEU A 35 20.907 34.183 3.250 1.00 25.00 N ATOM 496 CA LEU A 35 22.027 33.849 4.112 1.00 25.00 C ATOM 497 C LEU A 35 21.545 33.294 5.459 1.00 25.00 C ATOM 498 O LEU A 35 22.225 32.480 6.083 1.00 25.00 O ATOM 499 CB LEU A 35 22.934 35.055 4.232 1.00 25.00 C ATOM 500 CG LEU A 35 22.768 36.174 5.257 1.00 25.00 C ATOM 501 CD1 LEU A 35 23.003 35.783 6.703 1.00 25.00 C ATOM 502 CD2 LEU A 35 23.778 37.205 4.828 1.00 25.00 C ATOM 0 H LEU A 35 20.720 35.182 3.163 1.00 25.00 H new ATOM 0 HA LEU A 35 22.616 33.044 3.672 1.00 25.00 H new ATOM 0 HB2 LEU A 35 23.939 34.661 4.379 1.00 25.00 H new ATOM 0 HB3 LEU A 35 22.921 35.539 3.255 1.00 25.00 H new ATOM 0 HG LEU A 35 21.732 36.513 5.260 1.00 25.00 H new ATOM 0 HD11 LEU A 35 22.859 36.653 7.343 1.00 25.00 H new ATOM 0 HD12 LEU A 35 22.298 35.002 6.988 1.00 25.00 H new ATOM 0 HD13 LEU A 35 24.022 35.412 6.819 1.00 25.00 H new ATOM 0 HD21 LEU A 35 23.738 38.057 5.506 1.00 25.00 H new ATOM 0 HD22 LEU A 35 24.776 36.768 4.852 1.00 25.00 H new ATOM 0 HD23 LEU A 35 23.551 37.537 3.815 1.00 25.00 H new ATOM 514 N SER A 36 20.380 33.740 5.913 1.00 25.00 N ATOM 515 CA SER A 36 19.831 33.293 7.196 1.00 25.00 C ATOM 516 C SER A 36 19.281 31.876 7.098 1.00 25.00 C ATOM 517 O SER A 36 19.516 31.063 7.972 1.00 25.00 O ATOM 518 CB SER A 36 18.762 34.252 7.730 1.00 25.00 C ATOM 519 OG SER A 36 17.627 34.286 6.895 1.00 25.00 O ATOM 0 H SER A 36 19.794 34.411 5.415 1.00 25.00 H new ATOM 0 HA SER A 36 20.656 33.292 7.909 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.466 33.945 8.733 1.00 25.00 H new ATOM 0 HB3 SER A 36 19.182 35.254 7.814 1.00 25.00 H new ATOM 0 HG SER A 36 17.876 33.998 5.992 1.00 25.00 H new ATOM 525 N LEU A 37 18.614 31.539 6.007 1.00 25.00 N ATOM 526 CA LEU A 37 18.133 30.169 5.837 1.00 25.00 C ATOM 527 C LEU A 37 19.295 29.246 5.728 1.00 25.00 C ATOM 528 O LEU A 37 19.235 28.084 6.090 1.00 25.00 O ATOM 529 CB LEU A 37 17.229 30.050 4.628 1.00 25.00 C ATOM 530 CG LEU A 37 17.701 30.151 3.175 1.00 25.00 C ATOM 531 CD1 LEU A 37 18.288 28.851 2.666 1.00 25.00 C ATOM 532 CD2 LEU A 37 16.506 30.535 2.325 1.00 25.00 C ATOM 0 H LEU A 37 18.395 32.174 5.240 1.00 25.00 H new ATOM 0 HA LEU A 37 17.540 29.894 6.710 1.00 25.00 H new ATOM 0 HB2 LEU A 37 16.733 29.084 4.717 1.00 25.00 H new ATOM 0 HB3 LEU A 37 16.462 30.815 4.749 1.00 25.00 H new ATOM 0 HG LEU A 37 18.492 30.899 3.117 1.00 25.00 H new ATOM 0 HD11 LEU A 37 18.607 28.976 1.631 1.00 25.00 H new ATOM 0 HD12 LEU A 37 19.146 28.574 3.279 1.00 25.00 H new ATOM 0 HD13 LEU A 37 17.534 28.065 2.721 1.00 25.00 H new ATOM 0 HD21 LEU A 37 16.812 30.615 1.282 1.00 25.00 H new ATOM 0 HD22 LEU A 37 15.733 29.773 2.419 1.00 25.00 H new ATOM 0 HD23 LEU A 37 16.113 31.494 2.662 1.00 25.00 H new ATOM 544 N LEU A 38 20.359 29.767 5.164 1.00 25.00 N ATOM 545 CA LEU A 38 21.539 28.988 4.945 1.00 25.00 C ATOM 546 C LEU A 38 22.211 28.594 6.243 1.00 25.00 C ATOM 547 O LEU A 38 22.575 27.448 6.414 1.00 25.00 O ATOM 548 CB LEU A 38 22.459 29.790 4.065 1.00 25.00 C ATOM 549 CG LEU A 38 23.701 29.033 3.587 1.00 25.00 C ATOM 550 CD1 LEU A 38 23.310 27.886 2.686 1.00 25.00 C ATOM 551 CD2 LEU A 38 24.664 29.954 2.873 1.00 25.00 C ATOM 0 H LEU A 38 20.424 30.735 4.849 1.00 25.00 H new ATOM 0 HA LEU A 38 21.274 28.050 4.457 1.00 25.00 H new ATOM 0 HB2 LEU A 38 21.900 30.133 3.194 1.00 25.00 H new ATOM 0 HB3 LEU A 38 22.778 30.679 4.609 1.00 25.00 H new ATOM 0 HG LEU A 38 24.205 28.633 4.467 1.00 25.00 H new ATOM 0 HD11 LEU A 38 24.206 27.360 2.357 1.00 25.00 H new ATOM 0 HD12 LEU A 38 22.666 27.197 3.232 1.00 25.00 H new ATOM 0 HD13 LEU A 38 22.776 28.271 1.818 1.00 25.00 H new ATOM 0 HD21 LEU A 38 25.535 29.387 2.546 1.00 25.00 H new ATOM 0 HD22 LEU A 38 24.171 30.394 2.006 1.00 25.00 H new ATOM 0 HD23 LEU A 38 24.981 30.746 3.551 1.00 25.00 H new ATOM 563 N LYS A 39 22.331 29.519 7.181 1.00 25.00 N ATOM 564 CA LYS A 39 22.885 29.166 8.500 1.00 25.00 C ATOM 565 C LYS A 39 21.945 28.254 9.271 1.00 25.00 C ATOM 566 O LYS A 39 22.406 27.414 10.029 1.00 25.00 O ATOM 567 CB LYS A 39 23.276 30.399 9.335 1.00 25.00 C ATOM 568 CG LYS A 39 22.228 31.498 9.396 1.00 25.00 C ATOM 569 CD LYS A 39 22.460 32.494 10.514 1.00 25.00 C ATOM 570 CE LYS A 39 23.596 33.453 10.186 1.00 25.00 C ATOM 571 NZ LYS A 39 23.735 34.473 11.276 1.00 25.00 N ATOM 0 H LYS A 39 22.064 30.497 7.071 1.00 25.00 H new ATOM 0 HA LYS A 39 23.807 28.618 8.308 1.00 25.00 H new ATOM 0 HB2 LYS A 39 23.498 30.074 10.351 1.00 25.00 H new ATOM 0 HB3 LYS A 39 24.195 30.818 8.926 1.00 25.00 H new ATOM 0 HG2 LYS A 39 22.214 32.029 8.444 1.00 25.00 H new ATOM 0 HG3 LYS A 39 21.245 31.045 9.522 1.00 25.00 H new ATOM 0 HD2 LYS A 39 21.546 33.060 10.693 1.00 25.00 H new ATOM 0 HD3 LYS A 39 22.689 31.960 11.436 1.00 25.00 H new ATOM 0 HE2 LYS A 39 24.529 32.900 10.073 1.00 25.00 H new ATOM 0 HE3 LYS A 39 23.402 33.949 9.235 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 24.512 35.124 11.045 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 22.849 35.010 11.364 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 23.941 33.994 12.176 1.00 25.00 H new ATOM 585 N GLU A 40 20.650 28.375 9.033 1.00 25.00 N ATOM 586 CA GLU A 40 19.680 27.509 9.699 1.00 25.00 C ATOM 587 C GLU A 40 19.683 26.090 9.128 1.00 25.00 C ATOM 588 O GLU A 40 19.768 25.110 9.865 1.00 25.00 O ATOM 589 CB GLU A 40 18.272 28.099 9.552 1.00 25.00 C ATOM 590 CG GLU A 40 18.028 29.317 10.438 1.00 25.00 C ATOM 591 CD GLU A 40 18.255 29.014 11.911 1.00 25.00 C ATOM 592 OE1 GLU A 40 17.605 28.088 12.441 1.00 25.00 O ATOM 593 OE2 GLU A 40 19.122 29.678 12.527 1.00 25.00 O ATOM 0 H GLU A 40 20.244 29.056 8.391 1.00 25.00 H new ATOM 0 HA GLU A 40 19.966 27.453 10.749 1.00 25.00 H new ATOM 0 HB2 GLU A 40 18.110 28.378 8.511 1.00 25.00 H new ATOM 0 HB3 GLU A 40 17.537 27.331 9.793 1.00 25.00 H new ATOM 0 HG2 GLU A 40 18.690 30.126 10.130 1.00 25.00 H new ATOM 0 HG3 GLU A 40 17.006 29.669 10.295 1.00 25.00 H new ATOM 600 N ARG A 41 19.560 25.965 7.812 1.00 25.00 N ATOM 601 CA ARG A 41 19.438 24.636 7.192 1.00 25.00 C ATOM 602 C ARG A 41 20.749 23.985 6.749 1.00 25.00 C ATOM 603 O ARG A 41 20.824 22.765 6.623 1.00 25.00 O ATOM 604 CB ARG A 41 18.471 24.720 6.016 1.00 25.00 C ATOM 605 CG ARG A 41 17.096 25.277 6.440 1.00 25.00 C ATOM 606 CD ARG A 41 15.912 24.726 5.625 1.00 25.00 C ATOM 607 NE ARG A 41 15.329 23.518 6.251 1.00 25.00 N ATOM 608 CZ ARG A 41 14.128 23.006 5.979 1.00 25.00 C ATOM 609 NH1 ARG A 41 13.313 23.530 5.100 1.00 25.00 N ATOM 610 NH2 ARG A 41 13.728 21.941 6.613 1.00 25.00 N ATOM 0 H ARG A 41 19.541 26.747 7.157 1.00 25.00 H new ATOM 0 HA ARG A 41 19.062 23.981 7.978 1.00 25.00 H new ATOM 0 HB2 ARG A 41 18.897 25.357 5.241 1.00 25.00 H new ATOM 0 HB3 ARG A 41 18.343 23.729 5.580 1.00 25.00 H new ATOM 0 HG2 ARG A 41 16.934 25.050 7.494 1.00 25.00 H new ATOM 0 HG3 ARG A 41 17.112 26.363 6.347 1.00 25.00 H new ATOM 0 HD2 ARG A 41 15.144 25.495 5.534 1.00 25.00 H new ATOM 0 HD3 ARG A 41 16.246 24.487 4.615 1.00 25.00 H new ATOM 0 HE ARG A 41 15.894 23.036 6.950 1.00 25.00 H new ATOM 0 HH11 ARG A 41 13.587 24.368 4.587 1.00 25.00 H new ATOM 0 HH12 ARG A 41 12.404 23.100 4.928 1.00 25.00 H new ATOM 0 HH21 ARG A 41 14.332 21.506 7.311 1.00 25.00 H new ATOM 0 HH22 ARG A 41 12.811 21.542 6.412 1.00 25.00 H new ATOM 624 N ASN A 42 21.767 24.790 6.503 1.00 25.00 N ATOM 625 CA ASN A 42 23.107 24.288 6.116 1.00 25.00 C ATOM 626 C ASN A 42 24.275 24.984 6.836 1.00 25.00 C ATOM 627 O ASN A 42 25.094 25.656 6.191 1.00 25.00 O ATOM 628 CB ASN A 42 23.330 24.462 4.608 1.00 25.00 C ATOM 629 CG ASN A 42 24.402 23.543 4.074 1.00 25.00 C ATOM 630 OD1 ASN A 42 25.058 22.836 4.813 1.00 25.00 O ATOM 631 ND2 ASN A 42 24.574 23.542 2.786 1.00 25.00 N ATOM 0 H ASN A 42 21.707 25.807 6.561 1.00 25.00 H new ATOM 0 HA ASN A 42 23.106 23.239 6.411 1.00 25.00 H new ATOM 0 HB2 ASN A 42 22.395 24.270 4.081 1.00 25.00 H new ATOM 0 HB3 ASN A 42 23.606 25.496 4.401 1.00 25.00 H new ATOM 0 HD21 ASN A 42 25.278 22.935 2.366 1.00 25.00 H new ATOM 0 HD22 ASN A 42 24.005 24.149 2.195 1.00 25.00 H new ATOM 638 N PRO A 43 24.404 24.809 8.163 1.00 25.00 N ATOM 639 CA PRO A 43 25.513 25.524 8.815 1.00 25.00 C ATOM 640 C PRO A 43 26.956 25.330 8.270 1.00 25.00 C ATOM 641 O PRO A 43 27.712 26.303 8.253 1.00 25.00 O ATOM 642 CB PRO A 43 25.390 25.101 10.286 1.00 25.00 C ATOM 643 CG PRO A 43 24.552 23.864 10.280 1.00 25.00 C ATOM 644 CD PRO A 43 23.599 24.047 9.139 1.00 25.00 C ATOM 0 HA PRO A 43 25.399 26.590 8.617 1.00 25.00 H new ATOM 0 HB2 PRO A 43 26.370 24.908 10.722 1.00 25.00 H new ATOM 0 HB3 PRO A 43 24.925 25.886 10.882 1.00 25.00 H new ATOM 0 HG2 PRO A 43 25.165 22.973 10.143 1.00 25.00 H new ATOM 0 HG3 PRO A 43 24.020 23.743 11.223 1.00 25.00 H new ATOM 0 HD2 PRO A 43 23.266 23.092 8.732 1.00 25.00 H new ATOM 0 HD3 PRO A 43 22.705 24.593 9.441 1.00 25.00 H new ATOM 652 N PRO A 44 27.351 24.124 7.778 1.00 25.00 N ATOM 653 CA PRO A 44 28.734 24.144 7.269 1.00 25.00 C ATOM 654 C PRO A 44 28.963 24.967 5.984 1.00 25.00 C ATOM 655 O PRO A 44 30.032 25.545 5.815 1.00 25.00 O ATOM 656 CB PRO A 44 29.031 22.660 7.028 1.00 25.00 C ATOM 657 CG PRO A 44 27.725 22.076 6.716 1.00 25.00 C ATOM 658 CD PRO A 44 26.772 22.771 7.651 1.00 25.00 C ATOM 0 HA PRO A 44 29.393 24.640 7.982 1.00 25.00 H new ATOM 0 HB2 PRO A 44 29.734 22.523 6.207 1.00 25.00 H new ATOM 0 HB3 PRO A 44 29.475 22.195 7.908 1.00 25.00 H new ATOM 0 HG2 PRO A 44 27.453 22.244 5.674 1.00 25.00 H new ATOM 0 HG3 PRO A 44 27.723 20.998 6.876 1.00 25.00 H new ATOM 0 HD2 PRO A 44 25.761 22.802 7.245 1.00 25.00 H new ATOM 0 HD3 PRO A 44 26.713 22.266 8.615 1.00 25.00 H new ATOM 666 N LEU A 45 27.985 25.055 5.087 1.00 25.00 N ATOM 667 CA LEU A 45 28.156 25.914 3.908 1.00 25.00 C ATOM 668 C LEU A 45 27.993 27.355 4.350 1.00 25.00 C ATOM 669 O LEU A 45 28.607 28.269 3.807 1.00 25.00 O ATOM 670 CB LEU A 45 27.156 25.584 2.797 1.00 25.00 C ATOM 671 CG LEU A 45 27.250 26.429 1.502 1.00 25.00 C ATOM 672 CD1 LEU A 45 28.642 26.418 0.850 1.00 25.00 C ATOM 673 CD2 LEU A 45 26.234 25.901 0.494 1.00 25.00 C ATOM 0 H LEU A 45 27.093 24.563 5.144 1.00 25.00 H new ATOM 0 HA LEU A 45 29.149 25.744 3.491 1.00 25.00 H new ATOM 0 HB2 LEU A 45 27.280 24.535 2.528 1.00 25.00 H new ATOM 0 HB3 LEU A 45 26.150 25.693 3.202 1.00 25.00 H new ATOM 0 HG LEU A 45 27.045 27.461 1.788 1.00 25.00 H new ATOM 0 HD11 LEU A 45 28.627 27.032 -0.051 1.00 25.00 H new ATOM 0 HD12 LEU A 45 29.375 26.819 1.550 1.00 25.00 H new ATOM 0 HD13 LEU A 45 28.913 25.395 0.588 1.00 25.00 H new ATOM 0 HD21 LEU A 45 26.291 26.489 -0.422 1.00 25.00 H new ATOM 0 HD22 LEU A 45 26.453 24.857 0.270 1.00 25.00 H new ATOM 0 HD23 LEU A 45 25.231 25.979 0.913 1.00 25.00 H new ATOM 685 N ALA A 46 27.165 27.554 5.357 1.00 25.00 N ATOM 686 CA ALA A 46 26.935 28.889 5.859 1.00 25.00 C ATOM 687 C ALA A 46 28.183 29.512 6.454 1.00 25.00 C ATOM 688 O ALA A 46 28.500 30.622 6.102 1.00 25.00 O ATOM 689 CB ALA A 46 25.855 28.879 6.873 1.00 25.00 C ATOM 0 H ALA A 46 26.648 26.817 5.837 1.00 25.00 H new ATOM 0 HA ALA A 46 26.639 29.498 5.005 1.00 25.00 H new ATOM 0 HB1 ALA A 46 25.693 29.892 7.242 1.00 25.00 H new ATOM 0 HB2 ALA A 46 24.936 28.506 6.422 1.00 25.00 H new ATOM 0 HB3 ALA A 46 26.141 28.232 7.702 1.00 25.00 H new ATOM 695 N GLU A 47 28.896 28.818 7.336 1.00 25.00 N ATOM 696 CA GLU A 47 30.069 29.425 7.990 1.00 25.00 C ATOM 697 C GLU A 47 31.112 29.844 6.957 1.00 25.00 C ATOM 698 O GLU A 47 31.783 30.870 7.100 1.00 25.00 O ATOM 699 CB GLU A 47 30.685 28.512 9.050 1.00 25.00 C ATOM 700 CG GLU A 47 31.136 27.170 8.549 1.00 25.00 C ATOM 701 CD GLU A 47 32.518 26.790 9.066 1.00 25.00 C ATOM 702 OE1 GLU A 47 32.646 25.754 9.743 1.00 25.00 O ATOM 703 OE2 GLU A 47 33.493 27.533 8.772 1.00 25.00 O ATOM 0 H GLU A 47 28.696 27.858 7.615 1.00 25.00 H new ATOM 0 HA GLU A 47 29.717 30.317 8.508 1.00 25.00 H new ATOM 0 HB2 GLU A 47 31.539 29.022 9.495 1.00 25.00 H new ATOM 0 HB3 GLU A 47 29.955 28.359 9.845 1.00 25.00 H new ATOM 0 HG2 GLU A 47 30.416 26.411 8.854 1.00 25.00 H new ATOM 0 HG3 GLU A 47 31.149 27.178 7.459 1.00 25.00 H new ATOM 710 N ALA A 48 31.178 29.090 5.872 1.00 25.00 N ATOM 711 CA ALA A 48 32.020 29.410 4.759 1.00 25.00 C ATOM 712 C ALA A 48 31.636 30.719 4.108 1.00 25.00 C ATOM 713 O ALA A 48 32.487 31.550 3.797 1.00 25.00 O ATOM 714 CB ALA A 48 31.945 28.288 3.771 1.00 25.00 C ATOM 0 H ALA A 48 30.639 28.233 5.750 1.00 25.00 H new ATOM 0 HA ALA A 48 33.042 29.533 5.118 1.00 25.00 H new ATOM 0 HB1 ALA A 48 32.581 28.514 2.915 1.00 25.00 H new ATOM 0 HB2 ALA A 48 32.285 27.365 4.242 1.00 25.00 H new ATOM 0 HB3 ALA A 48 30.915 28.167 3.436 1.00 25.00 H new ATOM 720 N LEU A 49 30.343 30.901 3.928 1.00 25.00 N ATOM 721 CA LEU A 49 29.828 32.107 3.332 1.00 25.00 C ATOM 722 C LEU A 49 30.097 33.289 4.245 1.00 25.00 C ATOM 723 O LEU A 49 30.507 34.350 3.789 1.00 25.00 O ATOM 724 CB LEU A 49 28.318 31.941 3.113 1.00 25.00 C ATOM 725 CG LEU A 49 27.547 33.013 2.337 1.00 25.00 C ATOM 726 CD1 LEU A 49 27.158 34.211 3.158 1.00 25.00 C ATOM 727 CD2 LEU A 49 28.322 33.460 1.130 1.00 25.00 C ATOM 0 H LEU A 49 29.629 30.221 4.190 1.00 25.00 H new ATOM 0 HA LEU A 49 30.320 32.289 2.376 1.00 25.00 H new ATOM 0 HB2 LEU A 49 28.165 30.992 2.599 1.00 25.00 H new ATOM 0 HB3 LEU A 49 27.853 31.851 4.095 1.00 25.00 H new ATOM 0 HG LEU A 49 26.618 32.531 2.032 1.00 25.00 H new ATOM 0 HD11 LEU A 49 26.616 34.920 2.532 1.00 25.00 H new ATOM 0 HD12 LEU A 49 26.520 33.895 3.984 1.00 25.00 H new ATOM 0 HD13 LEU A 49 28.055 34.687 3.554 1.00 25.00 H new ATOM 0 HD21 LEU A 49 27.755 34.221 0.595 1.00 25.00 H new ATOM 0 HD22 LEU A 49 29.279 33.875 1.445 1.00 25.00 H new ATOM 0 HD23 LEU A 49 28.495 32.608 0.473 1.00 25.00 H new ATOM 739 N LEU A 50 29.868 33.098 5.538 1.00 25.00 N ATOM 740 CA LEU A 50 29.981 34.194 6.499 1.00 25.00 C ATOM 741 C LEU A 50 31.410 34.713 6.556 1.00 25.00 C ATOM 742 O LEU A 50 31.651 35.886 6.809 1.00 25.00 O ATOM 743 CB LEU A 50 29.597 33.758 7.928 1.00 25.00 C ATOM 744 CG LEU A 50 28.307 32.970 8.192 1.00 25.00 C ATOM 745 CD1 LEU A 50 28.050 32.878 9.675 1.00 25.00 C ATOM 746 CD2 LEU A 50 27.091 33.509 7.452 1.00 25.00 C ATOM 0 H LEU A 50 29.604 32.201 5.946 1.00 25.00 H new ATOM 0 HA LEU A 50 29.295 34.968 6.156 1.00 25.00 H new ATOM 0 HB2 LEU A 50 30.422 33.158 8.312 1.00 25.00 H new ATOM 0 HB3 LEU A 50 29.550 34.661 8.536 1.00 25.00 H new ATOM 0 HG LEU A 50 28.467 31.970 7.789 1.00 25.00 H new ATOM 0 HD11 LEU A 50 27.132 32.317 9.851 1.00 25.00 H new ATOM 0 HD12 LEU A 50 28.884 32.370 10.158 1.00 25.00 H new ATOM 0 HD13 LEU A 50 27.947 33.881 10.089 1.00 25.00 H new ATOM 0 HD21 LEU A 50 26.220 32.899 7.691 1.00 25.00 H new ATOM 0 HD22 LEU A 50 26.907 34.539 7.757 1.00 25.00 H new ATOM 0 HD23 LEU A 50 27.274 33.476 6.378 1.00 25.00 H new ATOM 758 N SER A 51 32.354 33.809 6.347 1.00 25.00 N ATOM 759 CA SER A 51 33.764 34.136 6.392 1.00 25.00 C ATOM 760 C SER A 51 34.187 34.997 5.203 1.00 25.00 C ATOM 761 O SER A 51 35.203 35.678 5.253 1.00 25.00 O ATOM 762 CB SER A 51 34.559 32.849 6.361 1.00 25.00 C ATOM 763 OG SER A 51 34.242 32.014 7.467 1.00 25.00 O ATOM 0 H SER A 51 32.161 32.829 6.142 1.00 25.00 H new ATOM 0 HA SER A 51 33.953 34.700 7.305 1.00 25.00 H new ATOM 0 HB2 SER A 51 34.355 32.317 5.432 1.00 25.00 H new ATOM 0 HB3 SER A 51 35.625 33.078 6.370 1.00 25.00 H new ATOM 0 HG SER A 51 33.390 31.560 7.300 1.00 25.00 H new ATOM 769 N GLY A 52 33.439 34.901 4.112 1.00 25.00 N ATOM 770 CA GLY A 52 33.760 35.632 2.894 1.00 25.00 C ATOM 771 C GLY A 52 34.777 34.901 2.037 1.00 25.00 C ATOM 772 O GLY A 52 34.947 35.209 0.854 1.00 25.00 O ATOM 0 H GLY A 52 32.602 34.321 4.046 1.00 25.00 H new ATOM 0 HA2 GLY A 52 32.849 35.791 2.317 1.00 25.00 H new ATOM 0 HA3 GLY A 52 34.148 36.617 3.155 1.00 25.00 H new ATOM 776 N ASP A 53 35.446 33.924 2.633 1.00 25.00 N ATOM 777 CA ASP A 53 36.461 33.137 1.943 1.00 25.00 C ATOM 778 C ASP A 53 35.841 32.303 0.834 1.00 25.00 C ATOM 779 O ASP A 53 35.089 31.359 1.095 1.00 25.00 O ATOM 780 CB ASP A 53 37.155 32.166 2.892 1.00 25.00 C ATOM 781 CG ASP A 53 38.290 31.442 2.226 1.00 25.00 C ATOM 782 OD1 ASP A 53 38.751 31.904 1.161 1.00 25.00 O ATOM 783 OD2 ASP A 53 38.660 30.362 2.711 1.00 25.00 O ATOM 0 H ASP A 53 35.302 33.654 3.606 1.00 25.00 H new ATOM 0 HA ASP A 53 37.178 33.851 1.538 1.00 25.00 H new ATOM 0 HB2 ASP A 53 37.531 32.712 3.757 1.00 25.00 H new ATOM 0 HB3 ASP A 53 36.430 31.441 3.263 1.00 25.00 H new ATOM 788 N LEU A 54 36.181 32.615 -0.405 1.00 25.00 N ATOM 789 CA LEU A 54 35.688 31.837 -1.525 1.00 25.00 C ATOM 790 C LEU A 54 36.257 30.433 -1.460 1.00 25.00 C ATOM 791 O LEU A 54 35.576 29.489 -1.789 1.00 25.00 O ATOM 792 CB LEU A 54 36.076 32.493 -2.849 1.00 25.00 C ATOM 793 CG LEU A 54 35.555 31.856 -4.157 1.00 25.00 C ATOM 794 CD1 LEU A 54 36.502 30.786 -4.716 1.00 25.00 C ATOM 795 CD2 LEU A 54 34.125 31.295 -4.059 1.00 25.00 C ATOM 0 H LEU A 54 36.790 33.393 -0.658 1.00 25.00 H new ATOM 0 HA LEU A 54 34.600 31.792 -1.467 1.00 25.00 H new ATOM 0 HB2 LEU A 54 35.733 33.527 -2.822 1.00 25.00 H new ATOM 0 HB3 LEU A 54 37.164 32.520 -2.902 1.00 25.00 H new ATOM 0 HG LEU A 54 35.522 32.690 -4.858 1.00 25.00 H new ATOM 0 HD11 LEU A 54 36.084 30.374 -5.635 1.00 25.00 H new ATOM 0 HD12 LEU A 54 37.473 31.234 -4.928 1.00 25.00 H new ATOM 0 HD13 LEU A 54 36.623 29.988 -3.983 1.00 25.00 H new ATOM 0 HD21 LEU A 54 33.836 30.866 -5.019 1.00 25.00 H new ATOM 0 HD22 LEU A 54 34.089 30.523 -3.291 1.00 25.00 H new ATOM 0 HD23 LEU A 54 33.436 32.098 -3.798 1.00 25.00 H new ATOM 807 N GLU A 55 37.493 30.283 -1.028 1.00 25.00 N ATOM 808 CA GLU A 55 38.115 28.959 -0.996 1.00 25.00 C ATOM 809 C GLU A 55 37.328 28.013 -0.106 1.00 25.00 C ATOM 810 O GLU A 55 36.936 26.927 -0.535 1.00 25.00 O ATOM 811 CB GLU A 55 39.548 29.035 -0.483 1.00 25.00 C ATOM 812 CG GLU A 55 40.450 29.935 -1.284 1.00 25.00 C ATOM 813 CD GLU A 55 40.872 29.309 -2.610 1.00 25.00 C ATOM 814 OE1 GLU A 55 40.027 29.235 -3.534 1.00 25.00 O ATOM 815 OE2 GLU A 55 42.039 28.883 -2.725 1.00 25.00 O ATOM 0 H GLU A 55 38.086 31.044 -0.697 1.00 25.00 H new ATOM 0 HA GLU A 55 38.118 28.582 -2.019 1.00 25.00 H new ATOM 0 HB2 GLU A 55 39.533 29.383 0.550 1.00 25.00 H new ATOM 0 HB3 GLU A 55 39.972 28.031 -0.475 1.00 25.00 H new ATOM 0 HG2 GLU A 55 39.938 30.878 -1.478 1.00 25.00 H new ATOM 0 HG3 GLU A 55 41.338 30.169 -0.697 1.00 25.00 H new ATOM 822 N LYS A 56 37.056 28.427 1.124 1.00 25.00 N ATOM 823 CA LYS A 56 36.300 27.580 2.038 1.00 25.00 C ATOM 824 C LYS A 56 34.886 27.417 1.519 1.00 25.00 C ATOM 825 O LYS A 56 34.360 26.320 1.587 1.00 25.00 O ATOM 826 CB LYS A 56 36.376 28.071 3.508 1.00 25.00 C ATOM 827 CG LYS A 56 35.418 29.053 3.967 1.00 25.00 C ATOM 828 CD LYS A 56 35.871 29.609 5.336 1.00 25.00 C ATOM 829 CE LYS A 56 35.212 28.852 6.503 1.00 25.00 C ATOM 830 NZ LYS A 56 35.591 29.336 7.864 1.00 25.00 N ATOM 0 H LYS A 56 37.341 29.328 1.508 1.00 25.00 H new ATOM 0 HA LYS A 56 36.758 26.591 2.066 1.00 25.00 H new ATOM 0 HB2 LYS A 56 36.286 27.197 4.153 1.00 25.00 H new ATOM 0 HB3 LYS A 56 37.372 28.483 3.667 1.00 25.00 H new ATOM 0 HG2 LYS A 56 35.335 29.863 3.242 1.00 25.00 H new ATOM 0 HG3 LYS A 56 34.430 28.601 4.054 1.00 25.00 H new ATOM 0 HD2 LYS A 56 36.955 29.533 5.419 1.00 25.00 H new ATOM 0 HD3 LYS A 56 35.619 30.668 5.400 1.00 25.00 H new ATOM 0 HE2 LYS A 56 34.129 28.923 6.397 1.00 25.00 H new ATOM 0 HE3 LYS A 56 35.471 27.796 6.424 1.00 25.00 H new ATOM 0 HZ1 LYS A 56 35.113 28.757 8.584 1.00 25.00 H new ATOM 0 HZ2 LYS A 56 36.621 29.259 7.986 1.00 25.00 H new ATOM 0 HZ3 LYS A 56 35.303 30.330 7.972 1.00 25.00 H new ATOM 844 N PHE A 57 34.307 28.457 0.922 1.00 25.00 N ATOM 845 CA PHE A 57 32.973 28.353 0.323 1.00 25.00 C ATOM 846 C PHE A 57 32.929 27.332 -0.808 1.00 25.00 C ATOM 847 O PHE A 57 32.108 26.442 -0.780 1.00 25.00 O ATOM 848 CB PHE A 57 32.493 29.723 -0.169 1.00 25.00 C ATOM 849 CG PHE A 57 31.061 29.731 -0.631 1.00 25.00 C ATOM 850 CD1 PHE A 57 30.017 29.965 0.283 1.00 25.00 C ATOM 851 CD2 PHE A 57 30.745 29.516 -1.984 1.00 25.00 C ATOM 852 CE1 PHE A 57 28.667 29.985 -0.147 1.00 25.00 C ATOM 853 CE2 PHE A 57 29.399 29.535 -2.423 1.00 25.00 C ATOM 854 CZ PHE A 57 28.362 29.763 -1.502 1.00 25.00 C ATOM 0 H PHE A 57 34.736 29.379 0.839 1.00 25.00 H new ATOM 0 HA PHE A 57 32.297 28.002 1.102 1.00 25.00 H new ATOM 0 HB2 PHE A 57 32.610 30.450 0.635 1.00 25.00 H new ATOM 0 HB3 PHE A 57 33.132 30.049 -0.989 1.00 25.00 H new ATOM 0 HD1 PHE A 57 30.247 30.131 1.325 1.00 25.00 H new ATOM 0 HD2 PHE A 57 31.537 29.335 -2.696 1.00 25.00 H new ATOM 0 HE1 PHE A 57 27.875 30.170 0.563 1.00 25.00 H new ATOM 0 HE2 PHE A 57 29.169 29.374 -3.466 1.00 25.00 H new ATOM 0 HZ PHE A 57 27.334 29.768 -1.834 1.00 25.00 H new ATOM 864 N SER A 58 33.826 27.432 -1.775 1.00 25.00 N ATOM 865 CA SER A 58 33.871 26.496 -2.901 1.00 25.00 C ATOM 866 C SER A 58 34.185 25.068 -2.449 1.00 25.00 C ATOM 867 O SER A 58 33.614 24.098 -2.955 1.00 25.00 O ATOM 868 CB SER A 58 34.944 26.957 -3.892 1.00 25.00 C ATOM 869 OG SER A 58 34.940 26.154 -5.058 1.00 25.00 O ATOM 0 H SER A 58 34.542 28.158 -1.808 1.00 25.00 H new ATOM 0 HA SER A 58 32.887 26.488 -3.370 1.00 25.00 H new ATOM 0 HB2 SER A 58 34.770 27.998 -4.163 1.00 25.00 H new ATOM 0 HB3 SER A 58 35.925 26.911 -3.418 1.00 25.00 H new ATOM 0 HG SER A 58 35.633 26.470 -5.675 1.00 25.00 H new ATOM 875 N ARG A 59 35.074 24.940 -1.474 1.00 25.00 N ATOM 876 CA ARG A 59 35.481 23.625 -0.975 1.00 25.00 C ATOM 877 C ARG A 59 34.302 22.942 -0.317 1.00 25.00 C ATOM 878 O ARG A 59 34.005 21.787 -0.599 1.00 25.00 O ATOM 879 CB ARG A 59 36.637 23.776 0.027 1.00 25.00 C ATOM 880 CG ARG A 59 37.010 22.493 0.775 1.00 25.00 C ATOM 881 CD ARG A 59 36.757 22.663 2.270 1.00 25.00 C ATOM 882 NE ARG A 59 36.634 21.372 2.955 1.00 25.00 N ATOM 883 CZ ARG A 59 36.604 21.191 4.268 1.00 25.00 C ATOM 884 NH1 ARG A 59 36.730 22.180 5.120 1.00 25.00 N ATOM 885 NH2 ARG A 59 36.441 19.986 4.726 1.00 25.00 N ATOM 0 H ARG A 59 35.529 25.727 -1.011 1.00 25.00 H new ATOM 0 HA ARG A 59 35.823 23.014 -1.811 1.00 25.00 H new ATOM 0 HB2 ARG A 59 37.516 24.138 -0.506 1.00 25.00 H new ATOM 0 HB3 ARG A 59 36.369 24.540 0.756 1.00 25.00 H new ATOM 0 HG2 ARG A 59 36.425 21.657 0.392 1.00 25.00 H new ATOM 0 HG3 ARG A 59 38.059 22.254 0.601 1.00 25.00 H new ATOM 0 HD2 ARG A 59 37.573 23.233 2.714 1.00 25.00 H new ATOM 0 HD3 ARG A 59 35.846 23.242 2.420 1.00 25.00 H new ATOM 0 HE ARG A 59 36.565 20.540 2.369 1.00 25.00 H new ATOM 0 HH11 ARG A 59 36.857 23.133 4.780 1.00 25.00 H new ATOM 0 HH12 ARG A 59 36.701 21.996 6.123 1.00 25.00 H new ATOM 0 HH21 ARG A 59 36.339 19.204 4.079 1.00 25.00 H new ATOM 0 HH22 ARG A 59 36.415 19.822 5.732 1.00 25.00 H new ATOM 899 N VAL A 60 33.615 23.654 0.554 1.00 25.00 N ATOM 900 CA VAL A 60 32.490 23.061 1.253 1.00 25.00 C ATOM 901 C VAL A 60 31.337 22.883 0.259 1.00 25.00 C ATOM 902 O VAL A 60 30.542 21.970 0.399 1.00 25.00 O ATOM 903 CB VAL A 60 32.111 23.862 2.541 1.00 25.00 C ATOM 904 CG1 VAL A 60 31.466 25.131 2.225 1.00 25.00 C ATOM 905 CG2 VAL A 60 31.231 23.016 3.464 1.00 25.00 C ATOM 0 H VAL A 60 33.810 24.626 0.793 1.00 25.00 H new ATOM 0 HA VAL A 60 32.759 22.074 1.629 1.00 25.00 H new ATOM 0 HB VAL A 60 33.038 24.095 3.064 1.00 25.00 H new ATOM 0 HG11 VAL A 60 31.220 25.654 3.149 1.00 25.00 H new ATOM 0 HG12 VAL A 60 32.142 25.745 1.630 1.00 25.00 H new ATOM 0 HG13 VAL A 60 30.553 24.944 1.660 1.00 25.00 H new ATOM 0 HG21 VAL A 60 30.979 23.592 4.354 1.00 25.00 H new ATOM 0 HG22 VAL A 60 30.316 22.738 2.940 1.00 25.00 H new ATOM 0 HG23 VAL A 60 31.770 22.115 3.756 1.00 25.00 H new ATOM 915 N LEU A 61 31.252 23.737 -0.759 1.00 25.00 N ATOM 916 CA LEU A 61 30.198 23.629 -1.772 1.00 25.00 C ATOM 917 C LEU A 61 30.259 22.284 -2.491 1.00 25.00 C ATOM 918 O LEU A 61 29.239 21.622 -2.635 1.00 25.00 O ATOM 919 CB LEU A 61 30.315 24.760 -2.810 1.00 25.00 C ATOM 920 CG LEU A 61 29.082 24.998 -3.701 1.00 25.00 C ATOM 921 CD1 LEU A 61 28.242 26.096 -3.086 1.00 25.00 C ATOM 922 CD2 LEU A 61 29.440 25.422 -5.127 1.00 25.00 C ATOM 0 H LEU A 61 31.899 24.512 -0.906 1.00 25.00 H new ATOM 0 HA LEU A 61 29.243 23.712 -1.253 1.00 25.00 H new ATOM 0 HB2 LEU A 61 30.540 25.687 -2.282 1.00 25.00 H new ATOM 0 HB3 LEU A 61 31.167 24.546 -3.455 1.00 25.00 H new ATOM 0 HG LEU A 61 28.546 24.051 -3.760 1.00 25.00 H new ATOM 0 HD11 LEU A 61 27.365 26.275 -3.708 1.00 25.00 H new ATOM 0 HD12 LEU A 61 27.924 25.795 -2.088 1.00 25.00 H new ATOM 0 HD13 LEU A 61 28.831 27.011 -3.019 1.00 25.00 H new ATOM 0 HD21 LEU A 61 28.526 25.573 -5.702 1.00 25.00 H new ATOM 0 HD22 LEU A 61 30.009 26.351 -5.098 1.00 25.00 H new ATOM 0 HD23 LEU A 61 30.040 24.644 -5.598 1.00 25.00 H new ATOM 934 N VAL A 62 31.435 21.864 -2.938 1.00 25.00 N ATOM 935 CA VAL A 62 31.540 20.590 -3.658 1.00 25.00 C ATOM 936 C VAL A 62 31.365 19.409 -2.704 1.00 25.00 C ATOM 937 O VAL A 62 30.755 18.402 -3.057 1.00 25.00 O ATOM 938 CB VAL A 62 32.862 20.475 -4.485 1.00 25.00 C ATOM 939 CG1 VAL A 62 34.114 20.437 -3.599 1.00 25.00 C ATOM 940 CG2 VAL A 62 32.814 19.236 -5.384 1.00 25.00 C ATOM 0 H VAL A 62 32.314 22.369 -2.822 1.00 25.00 H new ATOM 0 HA VAL A 62 30.726 20.563 -4.382 1.00 25.00 H new ATOM 0 HB VAL A 62 32.934 21.373 -5.099 1.00 25.00 H new ATOM 0 HG11 VAL A 62 35.002 20.357 -4.227 1.00 25.00 H new ATOM 0 HG12 VAL A 62 34.169 21.351 -3.008 1.00 25.00 H new ATOM 0 HG13 VAL A 62 34.062 19.576 -2.932 1.00 25.00 H new ATOM 0 HG21 VAL A 62 33.739 19.165 -5.956 1.00 25.00 H new ATOM 0 HG22 VAL A 62 32.699 18.344 -4.768 1.00 25.00 H new ATOM 0 HG23 VAL A 62 31.970 19.316 -6.069 1.00 25.00 H new ATOM 950 N GLU A 63 31.826 19.546 -1.474 1.00 25.00 N ATOM 951 CA GLU A 63 31.614 18.502 -0.469 1.00 25.00 C ATOM 952 C GLU A 63 30.114 18.352 -0.207 1.00 25.00 C ATOM 953 O GLU A 63 29.587 17.240 -0.139 1.00 25.00 O ATOM 954 CB GLU A 63 32.343 18.851 0.828 1.00 25.00 C ATOM 955 CG GLU A 63 33.856 18.704 0.722 1.00 25.00 C ATOM 956 CD GLU A 63 34.570 19.090 2.005 1.00 25.00 C ATOM 957 OE1 GLU A 63 33.951 19.738 2.875 1.00 25.00 O ATOM 958 OE2 GLU A 63 35.779 18.781 2.135 1.00 25.00 O ATOM 0 H GLU A 63 32.345 20.359 -1.142 1.00 25.00 H new ATOM 0 HA GLU A 63 32.015 17.559 -0.842 1.00 25.00 H new ATOM 0 HB2 GLU A 63 32.102 19.877 1.108 1.00 25.00 H new ATOM 0 HB3 GLU A 63 31.977 18.208 1.628 1.00 25.00 H new ATOM 0 HG2 GLU A 63 34.101 17.672 0.471 1.00 25.00 H new ATOM 0 HG3 GLU A 63 34.222 19.326 -0.095 1.00 25.00 H new