USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 717 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 61 LYS NZ :NH3+ -162:sc= 1.15 (180deg=0.36) USER MOD Set 1.2: B 21 GLN : amide:sc= -1.41 X(o=-0.17,f=-0.07) USER MOD Set 1.3: B 35 TYR OH : rot -109:sc= 0.0869 USER MOD Set 2.1: B 25 TYR OH : rot 180:sc= 0.959 USER MOD Set 2.2: B 47 ASN : amide:sc= 1.09 K(o=2,f=0.94!) USER MOD Set 3.1: A 25 TYR OH : rot -145:sc= 1.11 USER MOD Set 3.2: A 47 ASN : amide:sc= -0.159 K(o=0.95,f=-0.14) USER MOD Set 4.1: A 21 GLN : amide:sc= 0.7 K(o=0.75,f=-0.63) USER MOD Set 4.2: A 35 TYR OH : rot 60:sc= 0.0487 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 51 TYR OH : rot 147:sc= 0.116 USER MOD Single : A 55 GLN : amide:sc= 0.282 X(o=0.28,f=-0.032) USER MOD Single : A 62 ASN : amide:sc= 0.0491 X(o=0.049,f=-0.0064) USER MOD Single : B 30 THR OG1 : rot -68:sc= 1.31 USER MOD Single : B 51 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 GLN :FLIP amide:sc= -0.0822 F(o=-1.4!,f=-0.082) USER MOD Single : B 61 LYS NZ :NH3+ 170:sc= 0.273 (180deg=-0.0978) USER MOD Single : B 62 ASN : amide:sc= 0.571 K(o=0.57,f=0) USER MOD Single : B 64 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 24.973 3.723 4.617 1.00 0.00 N ATOM 298 CA ASP A 19 25.122 5.091 4.112 1.00 0.00 C ATOM 299 C ASP A 19 25.687 5.111 2.694 1.00 0.00 C ATOM 300 O ASP A 19 26.317 6.078 2.271 1.00 0.00 O ATOM 301 CB ASP A 19 26.020 5.909 5.051 1.00 0.00 C ATOM 302 CG ASP A 19 27.303 5.187 5.420 1.00 0.00 C ATOM 303 OD1 ASP A 19 28.314 5.337 4.704 1.00 0.00 O ATOM 304 OD2 ASP A 19 27.301 4.462 6.439 1.00 0.00 O ATOM 0 HA ASP A 19 24.130 5.541 4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 19 26.267 6.857 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 19 25.467 6.144 5.960 1.00 0.00 H new ATOM 309 N VAL A 20 25.417 4.051 1.948 1.00 0.00 N ATOM 310 CA VAL A 20 25.919 3.918 0.596 1.00 0.00 C ATOM 311 C VAL A 20 24.766 3.926 -0.399 1.00 0.00 C ATOM 312 O VAL A 20 24.054 2.931 -0.554 1.00 0.00 O ATOM 313 CB VAL A 20 26.726 2.619 0.429 1.00 0.00 C ATOM 314 CG1 VAL A 20 27.461 2.610 -0.903 1.00 0.00 C ATOM 315 CG2 VAL A 20 27.692 2.446 1.589 1.00 0.00 C ATOM 0 H VAL A 20 24.847 3.266 2.263 1.00 0.00 H new ATOM 0 HA VAL A 20 26.576 4.766 0.401 1.00 0.00 H new ATOM 0 HB VAL A 20 26.035 1.776 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 20 28.025 1.683 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 20 26.740 2.683 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 20 28.145 3.457 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 20 28.256 1.523 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 20 28.380 3.291 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 20 27.133 2.400 2.524 1.00 0.00 H new ATOM 325 N GLN A 21 24.573 5.057 -1.054 1.00 0.00 N ATOM 326 CA GLN A 21 23.517 5.195 -2.041 1.00 0.00 C ATOM 327 C GLN A 21 24.107 5.351 -3.437 1.00 0.00 C ATOM 328 O GLN A 21 25.203 5.888 -3.609 1.00 0.00 O ATOM 329 CB GLN A 21 22.617 6.390 -1.707 1.00 0.00 C ATOM 330 CG GLN A 21 23.376 7.687 -1.476 1.00 0.00 C ATOM 331 CD GLN A 21 22.470 8.845 -1.117 1.00 0.00 C ATOM 332 OE1 GLN A 21 21.404 8.662 -0.529 1.00 0.00 O ATOM 333 NE2 GLN A 21 22.891 10.050 -1.464 1.00 0.00 N ATOM 0 H GLN A 21 25.136 5.897 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 21 22.910 4.290 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 21 21.907 6.536 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.036 6.157 -0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 21 24.102 7.539 -0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 21 23.938 7.938 -2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 21 23.781 10.159 -1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 21 22.326 10.870 -1.245 1.00 0.00 H new ATOM 342 N ILE A 22 23.381 4.861 -4.426 1.00 0.00 N ATOM 343 CA ILE A 22 23.796 4.981 -5.811 1.00 0.00 C ATOM 344 C ILE A 22 22.693 5.669 -6.604 1.00 0.00 C ATOM 345 O ILE A 22 21.525 5.622 -6.217 1.00 0.00 O ATOM 346 CB ILE A 22 24.108 3.602 -6.448 1.00 0.00 C ATOM 347 CG1 ILE A 22 25.179 2.862 -5.646 1.00 0.00 C ATOM 348 CG2 ILE A 22 24.566 3.760 -7.892 1.00 0.00 C ATOM 349 CD1 ILE A 22 25.613 1.563 -6.289 1.00 0.00 C ATOM 0 H ILE A 22 22.495 4.373 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 22 24.713 5.570 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 22 23.188 3.017 -6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.048 3.510 -5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.797 2.655 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 22 24.778 2.778 -8.316 1.00 0.00 H new ATOM 0 HG22 ILE A 22 23.780 4.243 -8.472 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.468 4.371 -7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.374 1.087 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.754 0.899 -6.383 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.024 1.766 -7.278 1.00 0.00 H new ATOM 361 N ASP A 23 23.070 6.317 -7.693 1.00 0.00 N ATOM 362 CA ASP A 23 22.118 6.983 -8.559 1.00 0.00 C ATOM 363 C ASP A 23 21.406 5.962 -9.452 1.00 0.00 C ATOM 364 O ASP A 23 21.458 4.753 -9.206 1.00 0.00 O ATOM 365 CB ASP A 23 22.845 8.010 -9.426 1.00 0.00 C ATOM 366 CG ASP A 23 23.766 7.356 -10.435 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.742 6.693 -10.022 1.00 0.00 O ATOM 368 OD2 ASP A 23 23.496 7.486 -11.640 1.00 0.00 O ATOM 0 H ASP A 23 24.040 6.395 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 23 21.374 7.489 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.113 8.625 -9.950 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.424 8.678 -8.788 1.00 0.00 H new ATOM 373 N PHE A 24 20.754 6.455 -10.494 1.00 0.00 N ATOM 374 CA PHE A 24 19.996 5.612 -11.402 1.00 0.00 C ATOM 375 C PHE A 24 20.907 4.893 -12.402 1.00 0.00 C ATOM 376 O PHE A 24 20.586 3.800 -12.871 1.00 0.00 O ATOM 377 CB PHE A 24 18.959 6.463 -12.145 1.00 0.00 C ATOM 378 CG PHE A 24 18.098 5.683 -13.095 1.00 0.00 C ATOM 379 CD1 PHE A 24 17.025 4.947 -12.625 1.00 0.00 C ATOM 380 CD2 PHE A 24 18.366 5.685 -14.454 1.00 0.00 C ATOM 381 CE1 PHE A 24 16.233 4.223 -13.495 1.00 0.00 C ATOM 382 CE2 PHE A 24 17.579 4.962 -15.328 1.00 0.00 C ATOM 383 CZ PHE A 24 16.510 4.230 -14.847 1.00 0.00 C ATOM 0 H PHE A 24 20.736 7.447 -10.732 1.00 0.00 H new ATOM 0 HA PHE A 24 19.490 4.847 -10.813 1.00 0.00 H new ATOM 0 HB2 PHE A 24 18.320 6.958 -11.414 1.00 0.00 H new ATOM 0 HB3 PHE A 24 19.476 7.246 -12.699 1.00 0.00 H new ATOM 0 HD1 PHE A 24 16.804 4.938 -11.568 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.199 6.258 -14.834 1.00 0.00 H new ATOM 0 HE1 PHE A 24 15.398 3.652 -13.117 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.798 4.968 -16.385 1.00 0.00 H new ATOM 0 HZ PHE A 24 15.892 3.664 -15.528 1.00 0.00 H new ATOM 393 N TYR A 25 22.049 5.494 -12.714 1.00 0.00 N ATOM 394 CA TYR A 25 22.921 4.967 -13.754 1.00 0.00 C ATOM 395 C TYR A 25 23.874 3.910 -13.203 1.00 0.00 C ATOM 396 O TYR A 25 24.452 3.137 -13.964 1.00 0.00 O ATOM 397 CB TYR A 25 23.698 6.104 -14.423 1.00 0.00 C ATOM 398 CG TYR A 25 22.799 7.138 -15.069 1.00 0.00 C ATOM 399 CD1 TYR A 25 22.257 6.923 -16.329 1.00 0.00 C ATOM 400 CD2 TYR A 25 22.483 8.321 -14.412 1.00 0.00 C ATOM 401 CE1 TYR A 25 21.425 7.859 -16.916 1.00 0.00 C ATOM 402 CE2 TYR A 25 21.650 9.259 -14.991 1.00 0.00 C ATOM 403 CZ TYR A 25 21.125 9.025 -16.241 1.00 0.00 C ATOM 404 OH TYR A 25 20.296 9.959 -16.820 1.00 0.00 O ATOM 0 H TYR A 25 22.391 6.343 -12.263 1.00 0.00 H new ATOM 0 HA TYR A 25 22.295 4.483 -14.504 1.00 0.00 H new ATOM 0 HB2 TYR A 25 24.328 6.592 -13.679 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.363 5.686 -15.179 1.00 0.00 H new ATOM 0 HD1 TYR A 25 22.489 6.011 -16.859 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.896 8.510 -13.432 1.00 0.00 H new ATOM 0 HE1 TYR A 25 21.012 7.678 -17.898 1.00 0.00 H new ATOM 0 HE2 TYR A 25 21.412 10.172 -14.465 1.00 0.00 H new ATOM 0 HH TYR A 25 20.595 10.859 -16.574 1.00 0.00 H new ATOM 414 N GLY A 26 24.040 3.874 -11.886 1.00 0.00 N ATOM 415 CA GLY A 26 24.825 2.822 -11.282 1.00 0.00 C ATOM 416 C GLY A 26 26.281 3.195 -11.100 1.00 0.00 C ATOM 417 O GLY A 26 27.167 2.356 -11.273 1.00 0.00 O ATOM 0 H GLY A 26 23.647 4.551 -11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.397 2.569 -10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.760 1.928 -11.902 1.00 0.00 H new ATOM 421 N ASP A 27 26.542 4.449 -10.759 1.00 0.00 N ATOM 422 CA ASP A 27 27.899 4.864 -10.440 1.00 0.00 C ATOM 423 C ASP A 27 28.120 4.724 -8.935 1.00 0.00 C ATOM 424 O ASP A 27 28.406 3.628 -8.447 1.00 0.00 O ATOM 425 CB ASP A 27 28.159 6.304 -10.900 1.00 0.00 C ATOM 426 CG ASP A 27 29.629 6.679 -10.838 1.00 0.00 C ATOM 427 OD1 ASP A 27 30.102 7.074 -9.754 1.00 0.00 O ATOM 428 OD2 ASP A 27 30.321 6.573 -11.875 1.00 0.00 O ATOM 0 H ASP A 27 25.842 5.188 -10.697 1.00 0.00 H new ATOM 0 HA ASP A 27 28.604 4.224 -10.971 1.00 0.00 H new ATOM 0 HB2 ASP A 27 27.799 6.426 -11.922 1.00 0.00 H new ATOM 0 HB3 ASP A 27 27.586 6.990 -10.276 1.00 0.00 H new ATOM 433 N GLU A 28 27.943 5.828 -8.216 1.00 0.00 N ATOM 434 CA GLU A 28 27.993 5.849 -6.757 1.00 0.00 C ATOM 435 C GLU A 28 27.889 7.289 -6.282 1.00 0.00 C ATOM 436 O GLU A 28 28.735 8.120 -6.613 1.00 0.00 O ATOM 437 CB GLU A 28 29.284 5.225 -6.215 1.00 0.00 C ATOM 438 CG GLU A 28 29.238 4.954 -4.720 1.00 0.00 C ATOM 439 CD GLU A 28 30.548 4.421 -4.174 1.00 0.00 C ATOM 440 OE1 GLU A 28 30.826 3.213 -4.343 1.00 0.00 O ATOM 441 OE2 GLU A 28 31.299 5.202 -3.554 1.00 0.00 O ATOM 0 H GLU A 28 27.759 6.741 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 28 27.159 5.256 -6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.476 4.290 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 28 30.120 5.890 -6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.981 5.875 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.445 4.236 -4.511 1.00 0.00 H new ATOM 448 N VAL A 29 26.854 7.592 -5.520 1.00 0.00 N ATOM 449 CA VAL A 29 26.657 8.951 -5.051 1.00 0.00 C ATOM 450 C VAL A 29 26.882 9.041 -3.552 1.00 0.00 C ATOM 451 O VAL A 29 25.989 8.761 -2.755 1.00 0.00 O ATOM 452 CB VAL A 29 25.257 9.496 -5.394 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.161 10.969 -5.033 1.00 0.00 C ATOM 454 CG2 VAL A 29 24.939 9.286 -6.866 1.00 0.00 C ATOM 0 H VAL A 29 26.145 6.925 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 29 27.391 9.567 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 29 24.522 8.944 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.167 11.340 -5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 29 25.339 11.094 -3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 29 25.908 11.531 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 29 23.946 9.679 -7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.677 9.807 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 29 24.966 8.221 -7.096 1.00 0.00 H new ATOM 464 N THR A 30 28.090 9.408 -3.179 1.00 0.00 N ATOM 465 CA THR A 30 28.430 9.606 -1.787 1.00 0.00 C ATOM 466 C THR A 30 27.953 10.984 -1.325 1.00 0.00 C ATOM 467 O THR A 30 27.686 11.855 -2.155 1.00 0.00 O ATOM 468 CB THR A 30 29.952 9.465 -1.582 1.00 0.00 C ATOM 469 OG1 THR A 30 30.648 10.162 -2.623 1.00 0.00 O ATOM 470 CG2 THR A 30 30.368 8.004 -1.586 1.00 0.00 C ATOM 0 H THR A 30 28.859 9.576 -3.828 1.00 0.00 H new ATOM 0 HA THR A 30 27.931 8.843 -1.189 1.00 0.00 H new ATOM 0 HB THR A 30 30.207 9.896 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 30 31.614 10.071 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 30 31.446 7.932 -1.440 1.00 0.00 H new ATOM 0 HG22 THR A 30 29.856 7.478 -0.780 1.00 0.00 H new ATOM 0 HG23 THR A 30 30.101 7.552 -2.541 1.00 0.00 H new ATOM 478 N PRO A 31 27.835 11.207 -0.004 1.00 0.00 N ATOM 479 CA PRO A 31 27.364 12.491 0.552 1.00 0.00 C ATOM 480 C PRO A 31 28.348 13.643 0.326 1.00 0.00 C ATOM 481 O PRO A 31 28.227 14.704 0.934 1.00 0.00 O ATOM 482 CB PRO A 31 27.219 12.198 2.048 1.00 0.00 C ATOM 483 CG PRO A 31 28.153 11.067 2.305 1.00 0.00 C ATOM 484 CD PRO A 31 28.133 10.228 1.059 1.00 0.00 C ATOM 0 HA PRO A 31 26.443 12.819 0.071 1.00 0.00 H new ATOM 0 HB2 PRO A 31 27.478 13.070 2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 31 26.193 11.930 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 31 29.159 11.431 2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.836 10.487 3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 31 29.089 9.732 0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.374 9.448 1.112 1.00 0.00 H new ATOM 492 N VAL A 32 29.320 13.431 -0.550 1.00 0.00 N ATOM 493 CA VAL A 32 30.289 14.462 -0.880 1.00 0.00 C ATOM 494 C VAL A 32 30.157 14.875 -2.344 1.00 0.00 C ATOM 495 O VAL A 32 31.011 15.581 -2.879 1.00 0.00 O ATOM 496 CB VAL A 32 31.738 14.000 -0.601 1.00 0.00 C ATOM 497 CG1 VAL A 32 31.944 13.748 0.886 1.00 0.00 C ATOM 498 CG2 VAL A 32 32.077 12.754 -1.408 1.00 0.00 C ATOM 0 H VAL A 32 29.457 12.550 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 32 30.076 15.318 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 32 32.413 14.798 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 32 32.970 13.424 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 32 31.754 14.667 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 32 31.256 12.973 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 32 33.101 12.449 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 32 31.395 11.948 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 32 31.978 12.971 -2.472 1.00 0.00 H new ATOM 508 N ASP A 33 29.083 14.432 -2.991 1.00 0.00 N ATOM 509 CA ASP A 33 28.829 14.812 -4.376 1.00 0.00 C ATOM 510 C ASP A 33 27.437 15.418 -4.511 1.00 0.00 C ATOM 511 O ASP A 33 26.651 15.397 -3.564 1.00 0.00 O ATOM 512 CB ASP A 33 28.980 13.615 -5.318 1.00 0.00 C ATOM 513 CG ASP A 33 29.551 14.024 -6.666 1.00 0.00 C ATOM 514 OD1 ASP A 33 28.899 14.815 -7.384 1.00 0.00 O ATOM 515 OD2 ASP A 33 30.668 13.577 -7.001 1.00 0.00 O ATOM 0 H ASP A 33 28.381 13.815 -2.583 1.00 0.00 H new ATOM 0 HA ASP A 33 29.570 15.559 -4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 33 29.631 12.871 -4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.009 13.142 -5.463 1.00 0.00 H new ATOM 520 N ASP A 34 27.133 15.942 -5.688 1.00 0.00 N ATOM 521 CA ASP A 34 25.887 16.665 -5.906 1.00 0.00 C ATOM 522 C ASP A 34 24.902 15.804 -6.672 1.00 0.00 C ATOM 523 O ASP A 34 25.206 15.311 -7.761 1.00 0.00 O ATOM 524 CB ASP A 34 26.130 17.958 -6.684 1.00 0.00 C ATOM 525 CG ASP A 34 27.120 18.880 -6.007 1.00 0.00 C ATOM 526 OD1 ASP A 34 26.751 19.522 -4.999 1.00 0.00 O ATOM 527 OD2 ASP A 34 28.268 18.981 -6.491 1.00 0.00 O ATOM 0 H ASP A 34 27.733 15.880 -6.510 1.00 0.00 H new ATOM 0 HA ASP A 34 25.475 16.912 -4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 34 26.495 17.712 -7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 34 25.183 18.482 -6.811 1.00 0.00 H new ATOM 532 N TYR A 35 23.718 15.630 -6.118 1.00 0.00 N ATOM 533 CA TYR A 35 22.708 14.810 -6.755 1.00 0.00 C ATOM 534 C TYR A 35 21.321 15.388 -6.531 1.00 0.00 C ATOM 535 O TYR A 35 21.137 16.318 -5.749 1.00 0.00 O ATOM 536 CB TYR A 35 22.774 13.376 -6.223 1.00 0.00 C ATOM 537 CG TYR A 35 22.418 13.241 -4.758 1.00 0.00 C ATOM 538 CD1 TYR A 35 23.353 13.511 -3.764 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.149 12.835 -4.372 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.028 13.382 -2.429 1.00 0.00 C ATOM 541 CE2 TYR A 35 20.818 12.702 -3.041 1.00 0.00 C ATOM 542 CZ TYR A 35 21.761 12.975 -2.072 1.00 0.00 C ATOM 543 OH TYR A 35 21.436 12.835 -0.743 1.00 0.00 O ATOM 0 H TYR A 35 23.433 16.044 -5.231 1.00 0.00 H new ATOM 0 HA TYR A 35 22.906 14.799 -7.827 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.099 12.752 -6.808 1.00 0.00 H new ATOM 0 HB3 TYR A 35 23.781 12.989 -6.378 1.00 0.00 H new ATOM 0 HD1 TYR A 35 24.348 13.826 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 35 20.408 12.619 -5.127 1.00 0.00 H new ATOM 0 HE1 TYR A 35 23.763 13.599 -1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 35 19.825 12.386 -2.758 1.00 0.00 H new ATOM 0 HH TYR A 35 21.548 13.695 -0.287 1.00 0.00 H new ATOM 553 N VAL A 36 20.354 14.838 -7.238 1.00 0.00 N ATOM 554 CA VAL A 36 18.963 15.215 -7.076 1.00 0.00 C ATOM 555 C VAL A 36 18.114 13.958 -7.091 1.00 0.00 C ATOM 556 O VAL A 36 18.387 13.033 -7.858 1.00 0.00 O ATOM 557 CB VAL A 36 18.502 16.179 -8.194 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.004 16.420 -8.148 1.00 0.00 C ATOM 559 CG2 VAL A 36 19.246 17.500 -8.107 1.00 0.00 C ATOM 0 H VAL A 36 20.510 14.116 -7.942 1.00 0.00 H new ATOM 0 HA VAL A 36 18.849 15.738 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 36 18.736 15.703 -9.146 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.720 17.102 -8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.479 15.473 -8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.735 16.858 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.906 18.162 -8.903 1.00 0.00 H new ATOM 0 HG22 VAL A 36 19.051 17.964 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 36 20.316 17.323 -8.215 1.00 0.00 H new ATOM 569 N ILE A 37 17.115 13.899 -6.232 1.00 0.00 N ATOM 570 CA ILE A 37 16.273 12.717 -6.169 1.00 0.00 C ATOM 571 C ILE A 37 14.917 12.996 -6.802 1.00 0.00 C ATOM 572 O ILE A 37 14.195 13.899 -6.373 1.00 0.00 O ATOM 573 CB ILE A 37 16.091 12.213 -4.722 1.00 0.00 C ATOM 574 CG1 ILE A 37 17.453 12.061 -4.038 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.352 10.885 -4.724 1.00 0.00 C ATOM 576 CD1 ILE A 37 17.374 11.525 -2.622 1.00 0.00 C ATOM 0 H ILE A 37 16.868 14.641 -5.578 1.00 0.00 H new ATOM 0 HA ILE A 37 16.777 11.930 -6.731 1.00 0.00 H new ATOM 0 HB ILE A 37 15.503 12.943 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.075 11.394 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 37 17.950 13.031 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.228 10.536 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.373 11.014 -5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.925 10.151 -5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.379 11.446 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 37 16.780 12.203 -2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 37 16.907 10.540 -2.631 1.00 0.00 H new ATOM 588 N ASP A 38 14.581 12.223 -7.828 1.00 0.00 N ATOM 589 CA ASP A 38 13.339 12.430 -8.566 1.00 0.00 C ATOM 590 C ASP A 38 12.349 11.313 -8.267 1.00 0.00 C ATOM 591 O ASP A 38 12.322 10.281 -8.940 1.00 0.00 O ATOM 592 CB ASP A 38 13.608 12.527 -10.076 1.00 0.00 C ATOM 593 CG ASP A 38 12.354 12.802 -10.901 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.383 13.376 -10.360 1.00 0.00 O ATOM 595 OD2 ASP A 38 12.347 12.457 -12.107 1.00 0.00 O ATOM 0 H ASP A 38 15.150 11.448 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 38 12.902 13.374 -8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.334 13.320 -10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.061 11.596 -10.417 1.00 0.00 H new ATOM 600 N GLY A 39 11.585 11.506 -7.201 1.00 0.00 N ATOM 601 CA GLY A 39 10.503 10.595 -6.879 1.00 0.00 C ATOM 602 C GLY A 39 10.971 9.270 -6.316 1.00 0.00 C ATOM 603 O GLY A 39 10.461 8.220 -6.693 1.00 0.00 O ATOM 0 H GLY A 39 11.696 12.282 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.840 11.073 -6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.915 10.410 -7.778 1.00 0.00 H new ATOM 607 N GLY A 40 11.944 9.312 -5.418 1.00 0.00 N ATOM 608 CA GLY A 40 12.392 8.098 -4.763 1.00 0.00 C ATOM 609 C GLY A 40 13.649 7.528 -5.382 1.00 0.00 C ATOM 610 O GLY A 40 14.328 6.706 -4.767 1.00 0.00 O ATOM 0 H GLY A 40 12.431 10.161 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.574 8.305 -3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.599 7.352 -4.809 1.00 0.00 H new ATOM 614 N GLU A 41 13.961 7.953 -6.596 1.00 0.00 N ATOM 615 CA GLU A 41 15.158 7.480 -7.269 1.00 0.00 C ATOM 616 C GLU A 41 16.204 8.582 -7.356 1.00 0.00 C ATOM 617 O GLU A 41 15.904 9.724 -7.704 1.00 0.00 O ATOM 618 CB GLU A 41 14.820 6.929 -8.654 1.00 0.00 C ATOM 619 CG GLU A 41 13.840 5.768 -8.602 1.00 0.00 C ATOM 620 CD GLU A 41 13.765 4.995 -9.899 1.00 0.00 C ATOM 621 OE1 GLU A 41 12.964 5.371 -10.777 1.00 0.00 O ATOM 622 OE2 GLU A 41 14.491 3.985 -10.034 1.00 0.00 O ATOM 0 H GLU A 41 13.406 8.620 -7.132 1.00 0.00 H new ATOM 0 HA GLU A 41 15.580 6.667 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.399 7.727 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.737 6.603 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.131 5.091 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.849 6.148 -8.355 1.00 0.00 H new ATOM 629 N ILE A 42 17.428 8.221 -7.016 1.00 0.00 N ATOM 630 CA ILE A 42 18.544 9.155 -6.953 1.00 0.00 C ATOM 631 C ILE A 42 19.191 9.310 -8.324 1.00 0.00 C ATOM 632 O ILE A 42 19.352 8.333 -9.045 1.00 0.00 O ATOM 633 CB ILE A 42 19.609 8.649 -5.950 1.00 0.00 C ATOM 634 CG1 ILE A 42 18.971 8.401 -4.584 1.00 0.00 C ATOM 635 CG2 ILE A 42 20.762 9.639 -5.826 1.00 0.00 C ATOM 636 CD1 ILE A 42 19.892 7.726 -3.594 1.00 0.00 C ATOM 0 H ILE A 42 17.681 7.263 -6.773 1.00 0.00 H new ATOM 0 HA ILE A 42 18.158 10.120 -6.624 1.00 0.00 H new ATOM 0 HB ILE A 42 20.012 7.710 -6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.642 9.354 -4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.081 7.786 -4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.495 9.257 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.235 9.770 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 42 20.382 10.598 -5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.369 7.584 -2.649 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.201 6.757 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 42 20.771 8.349 -3.432 1.00 0.00 H new ATOM 648 N ILE A 43 19.534 10.534 -8.694 1.00 0.00 N ATOM 649 CA ILE A 43 20.281 10.769 -9.921 1.00 0.00 C ATOM 650 C ILE A 43 21.404 11.762 -9.660 1.00 0.00 C ATOM 651 O ILE A 43 21.177 12.832 -9.092 1.00 0.00 O ATOM 652 CB ILE A 43 19.406 11.318 -11.079 1.00 0.00 C ATOM 653 CG1 ILE A 43 18.072 10.577 -11.192 1.00 0.00 C ATOM 654 CG2 ILE A 43 20.161 11.230 -12.398 1.00 0.00 C ATOM 655 CD1 ILE A 43 16.978 11.168 -10.329 1.00 0.00 C ATOM 0 H ILE A 43 19.309 11.377 -8.166 1.00 0.00 H new ATOM 0 HA ILE A 43 20.670 9.799 -10.229 1.00 0.00 H new ATOM 0 HB ILE A 43 19.187 12.362 -10.853 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.748 10.586 -12.233 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.220 9.534 -10.913 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.536 11.618 -13.202 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.076 11.819 -12.333 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.413 10.190 -12.604 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.061 10.593 -10.459 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.282 11.135 -9.283 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.802 12.203 -10.623 1.00 0.00 H new ATOM 667 N LEU A 44 22.614 11.397 -10.056 1.00 0.00 N ATOM 668 CA LEU A 44 23.751 12.301 -9.963 1.00 0.00 C ATOM 669 C LEU A 44 23.516 13.515 -10.865 1.00 0.00 C ATOM 670 O LEU A 44 22.946 13.383 -11.949 1.00 0.00 O ATOM 671 CB LEU A 44 25.033 11.567 -10.377 1.00 0.00 C ATOM 672 CG LEU A 44 26.341 12.325 -10.131 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.565 12.530 -8.642 1.00 0.00 C ATOM 674 CD2 LEU A 44 27.512 11.572 -10.749 1.00 0.00 C ATOM 0 H LEU A 44 22.834 10.480 -10.445 1.00 0.00 H new ATOM 0 HA LEU A 44 23.861 12.643 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 44 25.077 10.620 -9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 44 24.967 11.329 -11.439 1.00 0.00 H new ATOM 0 HG LEU A 44 26.270 13.304 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 44 27.499 13.070 -8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 44 25.739 13.106 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 44 26.619 11.561 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 44 28.435 12.122 -10.567 1.00 0.00 H new ATOM 0 HD22 LEU A 44 27.585 10.581 -10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 44 27.355 11.473 -11.823 1.00 0.00 H new ATOM 686 N ARG A 45 23.962 14.691 -10.424 1.00 0.00 N ATOM 687 CA ARG A 45 23.736 15.931 -11.174 1.00 0.00 C ATOM 688 C ARG A 45 24.423 15.923 -12.535 1.00 0.00 C ATOM 689 O ARG A 45 24.158 16.791 -13.364 1.00 0.00 O ATOM 690 CB ARG A 45 24.222 17.150 -10.384 1.00 0.00 C ATOM 691 CG ARG A 45 23.177 17.750 -9.458 1.00 0.00 C ATOM 692 CD ARG A 45 21.903 18.120 -10.203 1.00 0.00 C ATOM 693 NE ARG A 45 22.159 18.748 -11.503 1.00 0.00 N ATOM 694 CZ ARG A 45 22.118 20.058 -11.727 1.00 0.00 C ATOM 695 NH1 ARG A 45 21.934 20.909 -10.725 1.00 0.00 N ATOM 696 NH2 ARG A 45 22.269 20.514 -12.960 1.00 0.00 N ATOM 0 H ARG A 45 24.481 14.813 -9.554 1.00 0.00 H new ATOM 0 HA ARG A 45 22.659 15.995 -11.331 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.092 16.863 -9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.552 17.916 -11.086 1.00 0.00 H new ATOM 0 HG2 ARG A 45 22.941 17.038 -8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 45 23.586 18.638 -8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 45 21.302 17.223 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.314 18.800 -9.588 1.00 0.00 H new ATOM 0 HE ARG A 45 22.384 18.138 -12.289 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.823 20.560 -9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.904 21.912 -10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.416 19.862 -13.731 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.239 21.518 -13.140 1.00 0.00 H new ATOM 710 N GLU A 46 25.296 14.954 -12.757 1.00 0.00 N ATOM 711 CA GLU A 46 26.065 14.879 -13.988 1.00 0.00 C ATOM 712 C GLU A 46 25.153 14.674 -15.201 1.00 0.00 C ATOM 713 O GLU A 46 25.258 15.395 -16.192 1.00 0.00 O ATOM 714 CB GLU A 46 27.089 13.750 -13.880 1.00 0.00 C ATOM 715 CG GLU A 46 28.135 13.754 -14.981 1.00 0.00 C ATOM 716 CD GLU A 46 29.298 12.844 -14.661 1.00 0.00 C ATOM 717 OE1 GLU A 46 30.189 13.265 -13.892 1.00 0.00 O ATOM 718 OE2 GLU A 46 29.326 11.706 -15.165 1.00 0.00 O ATOM 0 H GLU A 46 25.491 14.203 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 46 26.588 15.824 -14.133 1.00 0.00 H new ATOM 0 HB2 GLU A 46 27.592 13.821 -12.916 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.564 12.795 -13.896 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.676 13.439 -15.918 1.00 0.00 H new ATOM 0 HG3 GLU A 46 28.500 14.770 -15.130 1.00 0.00 H new ATOM 725 N ASN A 47 24.252 13.701 -15.115 1.00 0.00 N ATOM 726 CA ASN A 47 23.321 13.434 -16.211 1.00 0.00 C ATOM 727 C ASN A 47 21.889 13.372 -15.682 1.00 0.00 C ATOM 728 O ASN A 47 21.074 12.554 -16.117 1.00 0.00 O ATOM 729 CB ASN A 47 23.693 12.130 -16.928 1.00 0.00 C ATOM 730 CG ASN A 47 22.999 11.984 -18.277 1.00 0.00 C ATOM 731 OD1 ASN A 47 22.667 12.972 -18.933 1.00 0.00 O ATOM 732 ND2 ASN A 47 22.791 10.749 -18.706 1.00 0.00 N ATOM 0 H ASN A 47 24.145 13.088 -14.307 1.00 0.00 H new ATOM 0 HA ASN A 47 23.388 14.248 -16.933 1.00 0.00 H new ATOM 0 HB2 ASN A 47 24.773 12.095 -17.073 1.00 0.00 H new ATOM 0 HB3 ASN A 47 23.429 11.283 -16.294 1.00 0.00 H new ATOM 0 HD21 ASN A 47 22.342 10.591 -19.608 1.00 0.00 H new ATOM 0 HD22 ASN A 47 23.080 9.955 -18.134 1.00 0.00 H new ATOM 739 N LEU A 48 21.592 14.259 -14.743 1.00 0.00 N ATOM 740 CA LEU A 48 20.260 14.353 -14.152 1.00 0.00 C ATOM 741 C LEU A 48 19.269 14.938 -15.146 1.00 0.00 C ATOM 742 O LEU A 48 18.103 14.542 -15.193 1.00 0.00 O ATOM 743 CB LEU A 48 20.297 15.246 -12.910 1.00 0.00 C ATOM 744 CG LEU A 48 18.924 15.638 -12.360 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.330 14.520 -11.524 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.016 16.925 -11.563 1.00 0.00 C ATOM 0 H LEU A 48 22.262 14.931 -14.369 1.00 0.00 H new ATOM 0 HA LEU A 48 19.943 13.347 -13.877 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.853 14.732 -12.126 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.850 16.154 -13.149 1.00 0.00 H new ATOM 0 HG LEU A 48 18.257 15.808 -13.205 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.355 14.827 -11.146 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.217 13.627 -12.139 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.991 14.302 -10.686 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.030 17.187 -11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.704 16.788 -10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 48 19.380 17.726 -12.206 1.00 0.00 H new ATOM 758 N GLU A 49 19.759 15.876 -15.945 1.00 0.00 N ATOM 759 CA GLU A 49 18.929 16.660 -16.846 1.00 0.00 C ATOM 760 C GLU A 49 18.108 15.775 -17.782 1.00 0.00 C ATOM 761 O GLU A 49 16.955 16.084 -18.084 1.00 0.00 O ATOM 762 CB GLU A 49 19.801 17.626 -17.659 1.00 0.00 C ATOM 763 CG GLU A 49 20.505 18.698 -16.824 1.00 0.00 C ATOM 764 CD GLU A 49 21.609 18.150 -15.931 1.00 0.00 C ATOM 765 OE1 GLU A 49 22.132 17.052 -16.224 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.973 18.820 -14.944 1.00 0.00 O ATOM 0 H GLU A 49 20.750 16.115 -15.986 1.00 0.00 H new ATOM 0 HA GLU A 49 18.228 17.230 -16.236 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.553 17.051 -18.198 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.178 18.116 -18.407 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.929 19.447 -17.493 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.767 19.206 -16.204 1.00 0.00 H new ATOM 773 N ARG A 50 18.686 14.665 -18.227 1.00 0.00 N ATOM 774 CA ARG A 50 17.978 13.775 -19.137 1.00 0.00 C ATOM 775 C ARG A 50 16.965 12.904 -18.412 1.00 0.00 C ATOM 776 O ARG A 50 15.964 12.505 -18.999 1.00 0.00 O ATOM 777 CB ARG A 50 18.935 12.901 -19.939 1.00 0.00 C ATOM 778 CG ARG A 50 19.426 13.577 -21.202 1.00 0.00 C ATOM 779 CD ARG A 50 19.772 12.561 -22.272 1.00 0.00 C ATOM 780 NE ARG A 50 20.124 13.200 -23.538 1.00 0.00 N ATOM 781 CZ ARG A 50 19.444 13.039 -24.673 1.00 0.00 C ATOM 782 NH1 ARG A 50 18.306 12.354 -24.682 1.00 0.00 N ATOM 783 NH2 ARG A 50 19.891 13.590 -25.795 1.00 0.00 N ATOM 0 H ARG A 50 19.628 14.364 -17.977 1.00 0.00 H new ATOM 0 HA ARG A 50 17.439 14.420 -19.831 1.00 0.00 H new ATOM 0 HB2 ARG A 50 19.790 12.640 -19.316 1.00 0.00 H new ATOM 0 HB3 ARG A 50 18.435 11.969 -20.202 1.00 0.00 H new ATOM 0 HG2 ARG A 50 18.659 14.255 -21.576 1.00 0.00 H new ATOM 0 HG3 ARG A 50 20.303 14.183 -20.975 1.00 0.00 H new ATOM 0 HD2 ARG A 50 20.605 11.946 -21.932 1.00 0.00 H new ATOM 0 HD3 ARG A 50 18.924 11.893 -22.426 1.00 0.00 H new ATOM 0 HE ARG A 50 20.943 13.808 -23.554 1.00 0.00 H new ATOM 0 HH11 ARG A 50 17.948 11.948 -23.817 1.00 0.00 H new ATOM 0 HH12 ARG A 50 17.790 12.234 -25.554 1.00 0.00 H new ATOM 0 HH21 ARG A 50 20.753 14.135 -25.787 1.00 0.00 H new ATOM 0 HH22 ARG A 50 19.372 13.468 -26.665 1.00 0.00 H new ATOM 797 N TYR A 51 17.196 12.616 -17.141 1.00 0.00 N ATOM 798 CA TYR A 51 16.246 11.808 -16.394 1.00 0.00 C ATOM 799 C TYR A 51 15.026 12.650 -16.046 1.00 0.00 C ATOM 800 O TYR A 51 13.900 12.154 -16.014 1.00 0.00 O ATOM 801 CB TYR A 51 16.870 11.214 -15.132 1.00 0.00 C ATOM 802 CG TYR A 51 16.072 10.052 -14.581 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.931 8.884 -15.319 1.00 0.00 C ATOM 804 CD2 TYR A 51 15.449 10.123 -13.340 1.00 0.00 C ATOM 805 CE1 TYR A 51 15.199 7.820 -14.838 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.713 9.057 -12.851 1.00 0.00 C ATOM 807 CZ TYR A 51 14.592 7.909 -13.605 1.00 0.00 C ATOM 808 OH TYR A 51 13.862 6.843 -13.132 1.00 0.00 O ATOM 0 H TYR A 51 18.014 12.922 -16.614 1.00 0.00 H new ATOM 0 HA TYR A 51 15.943 10.971 -17.023 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.884 10.881 -15.354 1.00 0.00 H new ATOM 0 HB3 TYR A 51 16.949 11.990 -14.370 1.00 0.00 H new ATOM 0 HD1 TYR A 51 16.403 8.808 -16.287 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.540 11.022 -12.749 1.00 0.00 H new ATOM 0 HE1 TYR A 51 15.102 6.919 -15.426 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.236 9.124 -11.884 1.00 0.00 H new ATOM 0 HH TYR A 51 13.942 6.799 -12.156 1.00 0.00 H new ATOM 818 N LEU A 52 15.260 13.935 -15.808 1.00 0.00 N ATOM 819 CA LEU A 52 14.172 14.889 -15.630 1.00 0.00 C ATOM 820 C LEU A 52 13.480 15.129 -16.966 1.00 0.00 C ATOM 821 O LEU A 52 12.317 15.500 -17.019 1.00 0.00 O ATOM 822 CB LEU A 52 14.696 16.212 -15.066 1.00 0.00 C ATOM 823 CG LEU A 52 15.384 16.113 -13.705 1.00 0.00 C ATOM 824 CD1 LEU A 52 15.783 17.495 -13.216 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.477 15.428 -12.693 1.00 0.00 C ATOM 0 H LEU A 52 16.193 14.340 -15.734 1.00 0.00 H new ATOM 0 HA LEU A 52 13.457 14.475 -14.919 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.399 16.640 -15.780 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.862 16.909 -14.984 1.00 0.00 H new ATOM 0 HG LEU A 52 16.285 15.510 -13.816 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.272 17.410 -12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.470 17.949 -13.930 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.894 18.118 -13.121 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.986 15.368 -11.731 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.557 16.002 -12.582 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.238 14.423 -13.041 1.00 0.00 H new ATOM 837 N ARG A 53 14.206 14.903 -18.047 1.00 0.00 N ATOM 838 CA ARG A 53 13.628 14.995 -19.380 1.00 0.00 C ATOM 839 C ARG A 53 12.687 13.816 -19.606 1.00 0.00 C ATOM 840 O ARG A 53 11.721 13.908 -20.364 1.00 0.00 O ATOM 841 CB ARG A 53 14.725 15.018 -20.455 1.00 0.00 C ATOM 842 CG ARG A 53 14.188 15.170 -21.871 1.00 0.00 C ATOM 843 CD ARG A 53 15.282 15.032 -22.923 1.00 0.00 C ATOM 844 NE ARG A 53 16.269 16.111 -22.851 1.00 0.00 N ATOM 845 CZ ARG A 53 16.473 17.000 -23.826 1.00 0.00 C ATOM 846 NH1 ARG A 53 15.769 16.938 -24.950 1.00 0.00 N ATOM 847 NH2 ARG A 53 17.389 17.946 -23.682 1.00 0.00 N ATOM 0 H ARG A 53 15.195 14.655 -18.030 1.00 0.00 H new ATOM 0 HA ARG A 53 13.067 15.927 -19.457 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.410 15.839 -20.245 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.303 14.096 -20.392 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.420 14.418 -22.048 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.710 16.144 -21.973 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.786 14.074 -22.795 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.829 15.024 -23.914 1.00 0.00 H new ATOM 0 HE ARG A 53 16.834 16.188 -22.006 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.067 16.208 -25.073 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.930 17.620 -25.691 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.940 17.996 -22.825 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.543 18.624 -24.428 1.00 0.00 H new ATOM 861 N GLU A 54 12.972 12.709 -18.933 1.00 0.00 N ATOM 862 CA GLU A 54 12.138 11.524 -19.032 1.00 0.00 C ATOM 863 C GLU A 54 10.976 11.577 -18.044 1.00 0.00 C ATOM 864 O GLU A 54 9.815 11.444 -18.438 1.00 0.00 O ATOM 865 CB GLU A 54 12.964 10.256 -18.802 1.00 0.00 C ATOM 866 CG GLU A 54 14.069 10.049 -19.827 1.00 0.00 C ATOM 867 CD GLU A 54 13.561 10.114 -21.254 1.00 0.00 C ATOM 868 OE1 GLU A 54 12.788 9.222 -21.661 1.00 0.00 O ATOM 869 OE2 GLU A 54 13.935 11.059 -21.980 1.00 0.00 O ATOM 0 H GLU A 54 13.776 12.609 -18.313 1.00 0.00 H new ATOM 0 HA GLU A 54 11.727 11.498 -20.041 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.407 10.298 -17.807 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.299 9.392 -18.819 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.838 10.808 -19.684 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.540 9.081 -19.657 1.00 0.00 H new ATOM 876 N GLN A 55 11.270 11.780 -16.764 1.00 0.00 N ATOM 877 CA GLN A 55 10.222 11.754 -15.751 1.00 0.00 C ATOM 878 C GLN A 55 9.770 13.158 -15.369 1.00 0.00 C ATOM 879 O GLN A 55 8.650 13.555 -15.696 1.00 0.00 O ATOM 880 CB GLN A 55 10.684 10.995 -14.504 1.00 0.00 C ATOM 881 CG GLN A 55 9.582 10.820 -13.465 1.00 0.00 C ATOM 882 CD GLN A 55 9.970 9.887 -12.330 1.00 0.00 C ATOM 883 OE1 GLN A 55 9.139 9.133 -11.827 1.00 0.00 O ATOM 884 NE2 GLN A 55 11.211 9.971 -11.886 1.00 0.00 N ATOM 0 H GLN A 55 12.208 11.961 -16.408 1.00 0.00 H new ATOM 0 HA GLN A 55 9.370 11.232 -16.187 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.054 10.014 -14.800 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.520 11.528 -14.051 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.323 11.795 -13.052 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.688 10.433 -13.955 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.870 10.610 -12.332 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.511 9.397 -11.098 1.00 0.00 H new ATOM 893 N LEU A 56 10.658 13.917 -14.711 1.00 0.00 N ATOM 894 CA LEU A 56 10.305 15.241 -14.172 1.00 0.00 C ATOM 895 C LEU A 56 9.003 15.160 -13.364 1.00 0.00 C ATOM 896 O LEU A 56 8.240 16.127 -13.302 1.00 0.00 O ATOM 897 CB LEU A 56 10.117 16.241 -15.320 1.00 0.00 C ATOM 898 CG LEU A 56 10.235 17.715 -14.939 1.00 0.00 C ATOM 899 CD1 LEU A 56 11.684 18.171 -15.004 1.00 0.00 C ATOM 900 CD2 LEU A 56 9.357 18.572 -15.839 1.00 0.00 C ATOM 0 H LEU A 56 11.624 13.639 -14.539 1.00 0.00 H new ATOM 0 HA LEU A 56 11.114 15.573 -13.522 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.856 16.024 -16.091 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.135 16.077 -15.764 1.00 0.00 H new ATOM 0 HG LEU A 56 9.888 17.834 -13.913 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.747 19.224 -14.729 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.283 17.579 -14.312 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.062 18.037 -16.017 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.454 19.619 -15.552 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.670 18.449 -16.876 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.317 18.262 -15.734 1.00 0.00 H new ATOM 912 N GLY A 57 8.752 14.020 -12.734 1.00 0.00 N ATOM 913 CA GLY A 57 7.419 13.751 -12.235 1.00 0.00 C ATOM 914 C GLY A 57 7.351 13.412 -10.762 1.00 0.00 C ATOM 915 O GLY A 57 6.251 13.297 -10.219 1.00 0.00 O ATOM 0 H GLY A 57 9.438 13.285 -12.561 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.793 14.623 -12.422 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.993 12.925 -12.804 1.00 0.00 H new ATOM 919 N PHE A 58 8.505 13.268 -10.101 1.00 0.00 N ATOM 920 CA PHE A 58 8.542 12.923 -8.672 1.00 0.00 C ATOM 921 C PHE A 58 7.706 11.673 -8.434 1.00 0.00 C ATOM 922 O PHE A 58 7.530 10.857 -9.342 1.00 0.00 O ATOM 923 CB PHE A 58 8.016 14.079 -7.794 1.00 0.00 C ATOM 924 CG PHE A 58 7.932 15.420 -8.481 1.00 0.00 C ATOM 925 CD1 PHE A 58 9.019 15.951 -9.159 1.00 0.00 C ATOM 926 CD2 PHE A 58 6.750 16.143 -8.450 1.00 0.00 C ATOM 927 CE1 PHE A 58 8.925 17.174 -9.790 1.00 0.00 C ATOM 928 CE2 PHE A 58 6.652 17.368 -9.080 1.00 0.00 C ATOM 929 CZ PHE A 58 7.742 17.886 -9.748 1.00 0.00 C ATOM 0 H PHE A 58 9.423 13.384 -10.529 1.00 0.00 H new ATOM 0 HA PHE A 58 9.579 12.739 -8.392 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.024 13.814 -7.428 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.663 14.175 -6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.948 15.402 -9.193 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.894 15.743 -7.926 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.778 17.575 -10.318 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.724 17.919 -9.050 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.671 18.846 -10.237 1.00 0.00 H new ATOM 939 N GLU A 59 7.200 11.488 -7.228 1.00 0.00 N ATOM 940 CA GLU A 59 6.236 10.424 -7.029 1.00 0.00 C ATOM 941 C GLU A 59 4.881 10.972 -6.616 1.00 0.00 C ATOM 942 O GLU A 59 4.676 11.360 -5.465 1.00 0.00 O ATOM 943 CB GLU A 59 6.712 9.377 -6.021 1.00 0.00 C ATOM 944 CG GLU A 59 5.680 8.281 -5.811 1.00 0.00 C ATOM 945 CD GLU A 59 6.231 7.045 -5.143 1.00 0.00 C ATOM 946 OE1 GLU A 59 6.729 6.155 -5.860 1.00 0.00 O ATOM 947 OE2 GLU A 59 6.123 6.930 -3.910 1.00 0.00 O ATOM 0 H GLU A 59 7.430 12.038 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 59 6.134 9.926 -7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.645 8.935 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.926 9.861 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.863 8.675 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.257 8.003 -6.777 1.00 0.00 H new ATOM 954 N PHE A 60 3.964 11.016 -7.571 1.00 0.00 N ATOM 955 CA PHE A 60 2.572 11.297 -7.275 1.00 0.00 C ATOM 956 C PHE A 60 1.898 10.005 -6.846 1.00 0.00 C ATOM 957 O PHE A 60 1.608 9.139 -7.672 1.00 0.00 O ATOM 958 CB PHE A 60 1.850 11.895 -8.487 1.00 0.00 C ATOM 959 CG PHE A 60 2.308 13.280 -8.850 1.00 0.00 C ATOM 960 CD1 PHE A 60 1.982 14.362 -8.049 1.00 0.00 C ATOM 961 CD2 PHE A 60 3.056 13.499 -9.995 1.00 0.00 C ATOM 962 CE1 PHE A 60 2.396 15.638 -8.382 1.00 0.00 C ATOM 963 CE2 PHE A 60 3.472 14.773 -10.334 1.00 0.00 C ATOM 964 CZ PHE A 60 3.142 15.844 -9.525 1.00 0.00 C ATOM 0 H PHE A 60 4.162 10.860 -8.559 1.00 0.00 H new ATOM 0 HA PHE A 60 2.522 12.033 -6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.997 11.239 -9.345 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.779 11.919 -8.284 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.398 14.207 -7.154 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.317 12.665 -10.630 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.136 16.473 -7.748 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.054 14.931 -11.230 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.467 16.840 -9.787 1.00 0.00 H new ATOM 974 N LYS A 61 1.695 9.860 -5.552 1.00 0.00 N ATOM 975 CA LYS A 61 1.150 8.634 -5.006 1.00 0.00 C ATOM 976 C LYS A 61 -0.349 8.795 -4.779 1.00 0.00 C ATOM 977 O LYS A 61 -0.789 9.227 -3.712 1.00 0.00 O ATOM 978 CB LYS A 61 1.874 8.293 -3.704 1.00 0.00 C ATOM 979 CG LYS A 61 2.104 6.809 -3.473 1.00 0.00 C ATOM 980 CD LYS A 61 2.879 6.173 -4.611 1.00 0.00 C ATOM 981 CE LYS A 61 3.502 4.852 -4.186 1.00 0.00 C ATOM 982 NZ LYS A 61 4.481 5.039 -3.080 1.00 0.00 N ATOM 0 H LYS A 61 1.900 10.578 -4.857 1.00 0.00 H new ATOM 0 HA LYS A 61 1.300 7.814 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.838 8.801 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.298 8.691 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.648 6.667 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.144 6.306 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.214 6.008 -5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.660 6.855 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.718 4.165 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.000 4.392 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.099 4.205 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.058 5.884 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.971 5.159 -2.182 1.00 0.00 H new ATOM 996 N ASN A 62 -1.129 8.452 -5.795 1.00 0.00 N ATOM 997 CA ASN A 62 -2.576 8.664 -5.770 1.00 0.00 C ATOM 998 C ASN A 62 -3.262 7.490 -5.074 1.00 0.00 C ATOM 999 O ASN A 62 -4.262 6.950 -5.560 1.00 0.00 O ATOM 1000 CB ASN A 62 -3.101 8.828 -7.203 1.00 0.00 C ATOM 1001 CG ASN A 62 -4.437 9.552 -7.268 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -4.488 10.778 -7.394 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -5.527 8.804 -7.198 1.00 0.00 N ATOM 0 H ASN A 62 -0.784 8.023 -6.654 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.799 9.573 -5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.367 9.378 -7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.205 7.844 -7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.448 9.239 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.446 7.793 -7.094 1.00 0.00 H new ATOM 1010 N ALA A 63 -2.681 7.090 -3.943 1.00 0.00 N ATOM 1011 CA ALA A 63 -3.183 5.991 -3.116 1.00 0.00 C ATOM 1012 C ALA A 63 -3.075 4.636 -3.816 1.00 0.00 C ATOM 1013 O ALA A 63 -3.383 3.608 -3.219 1.00 0.00 O ATOM 1014 CB ALA A 63 -4.622 6.254 -2.683 1.00 0.00 C ATOM 0 H ALA A 63 -1.837 7.525 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.548 5.947 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.975 5.425 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.665 7.177 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.256 6.348 -3.565 1.00 0.00 H new ATOM 1477 N ASP B 19 4.821 -1.418 7.044 1.00 0.00 N ATOM 1478 CA ASP B 19 5.056 -0.480 5.954 1.00 0.00 C ATOM 1479 C ASP B 19 4.273 0.812 6.162 1.00 0.00 C ATOM 1480 O ASP B 19 4.131 1.618 5.243 1.00 0.00 O ATOM 1481 CB ASP B 19 4.698 -1.110 4.599 1.00 0.00 C ATOM 1482 CG ASP B 19 3.307 -1.728 4.557 1.00 0.00 C ATOM 1483 OD1 ASP B 19 2.469 -1.420 5.431 1.00 0.00 O ATOM 1484 OD2 ASP B 19 3.057 -2.549 3.646 1.00 0.00 O ATOM 0 HA ASP B 19 6.119 -0.238 5.951 1.00 0.00 H new ATOM 0 HB2 ASP B 19 4.770 -0.347 3.824 1.00 0.00 H new ATOM 0 HB3 ASP B 19 5.434 -1.878 4.360 1.00 0.00 H new ATOM 1489 N VAL B 20 3.791 1.012 7.384 1.00 0.00 N ATOM 1490 CA VAL B 20 3.058 2.224 7.733 1.00 0.00 C ATOM 1491 C VAL B 20 3.976 3.444 7.648 1.00 0.00 C ATOM 1492 O VAL B 20 5.137 3.386 8.059 1.00 0.00 O ATOM 1493 CB VAL B 20 2.457 2.134 9.157 1.00 0.00 C ATOM 1494 CG1 VAL B 20 1.658 3.385 9.498 1.00 0.00 C ATOM 1495 CG2 VAL B 20 1.583 0.895 9.293 1.00 0.00 C ATOM 0 H VAL B 20 3.895 0.348 8.152 1.00 0.00 H new ATOM 0 HA VAL B 20 2.241 2.328 7.019 1.00 0.00 H new ATOM 0 HB VAL B 20 3.284 2.058 9.863 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.248 3.292 10.504 1.00 0.00 H new ATOM 0 HG12 VAL B 20 2.310 4.257 9.451 1.00 0.00 H new ATOM 0 HG13 VAL B 20 0.843 3.502 8.784 1.00 0.00 H new ATOM 0 HG21 VAL B 20 1.170 0.850 10.301 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.769 0.942 8.569 1.00 0.00 H new ATOM 0 HG23 VAL B 20 2.183 0.004 9.107 1.00 0.00 H new ATOM 1505 N GLN B 21 3.458 4.536 7.103 1.00 0.00 N ATOM 1506 CA GLN B 21 4.236 5.756 6.950 1.00 0.00 C ATOM 1507 C GLN B 21 3.442 6.970 7.429 1.00 0.00 C ATOM 1508 O GLN B 21 2.240 6.880 7.683 1.00 0.00 O ATOM 1509 CB GLN B 21 4.649 5.944 5.485 1.00 0.00 C ATOM 1510 CG GLN B 21 3.476 5.973 4.522 1.00 0.00 C ATOM 1511 CD GLN B 21 3.881 6.392 3.126 1.00 0.00 C ATOM 1512 OE1 GLN B 21 4.213 5.565 2.277 1.00 0.00 O ATOM 1513 NE2 GLN B 21 3.860 7.688 2.883 1.00 0.00 N ATOM 0 H GLN B 21 2.500 4.601 6.759 1.00 0.00 H new ATOM 0 HA GLN B 21 5.133 5.666 7.563 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.209 6.874 5.391 1.00 0.00 H new ATOM 0 HB3 GLN B 21 5.323 5.136 5.200 1.00 0.00 H new ATOM 0 HG2 GLN B 21 3.018 4.985 4.482 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.718 6.660 4.898 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.578 8.340 3.615 1.00 0.00 H new ATOM 0 HE22 GLN B 21 4.125 8.039 1.963 1.00 0.00 H new ATOM 1522 N ILE B 22 4.126 8.100 7.559 1.00 0.00 N ATOM 1523 CA ILE B 22 3.493 9.351 7.961 1.00 0.00 C ATOM 1524 C ILE B 22 4.015 10.488 7.085 1.00 0.00 C ATOM 1525 O ILE B 22 5.095 10.378 6.509 1.00 0.00 O ATOM 1526 CB ILE B 22 3.761 9.682 9.454 1.00 0.00 C ATOM 1527 CG1 ILE B 22 3.273 8.554 10.364 1.00 0.00 C ATOM 1528 CG2 ILE B 22 3.082 10.983 9.854 1.00 0.00 C ATOM 1529 CD1 ILE B 22 3.389 8.882 11.835 1.00 0.00 C ATOM 0 H ILE B 22 5.129 8.176 7.390 1.00 0.00 H new ATOM 0 HA ILE B 22 2.416 9.238 7.833 1.00 0.00 H new ATOM 0 HB ILE B 22 4.839 9.792 9.573 1.00 0.00 H new ATOM 0 HG12 ILE B 22 2.232 8.331 10.129 1.00 0.00 H new ATOM 0 HG13 ILE B 22 3.847 7.652 10.153 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.285 11.192 10.904 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.467 11.798 9.241 1.00 0.00 H new ATOM 0 HG23 ILE B 22 2.006 10.893 9.704 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.026 8.040 12.425 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.432 9.076 12.083 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.792 9.766 12.059 1.00 0.00 H new ATOM 1541 N ASP B 23 3.233 11.556 6.961 1.00 0.00 N ATOM 1542 CA ASP B 23 3.630 12.722 6.191 1.00 0.00 C ATOM 1543 C ASP B 23 4.592 13.603 6.995 1.00 0.00 C ATOM 1544 O ASP B 23 5.039 13.233 8.080 1.00 0.00 O ATOM 1545 CB ASP B 23 2.390 13.534 5.815 1.00 0.00 C ATOM 1546 CG ASP B 23 1.806 14.259 7.009 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.308 13.586 7.938 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.875 15.500 7.030 1.00 0.00 O ATOM 0 H ASP B 23 2.311 11.634 7.391 1.00 0.00 H new ATOM 0 HA ASP B 23 4.139 12.384 5.289 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.651 14.258 5.043 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.637 12.871 5.389 1.00 0.00 H new ATOM 1553 N PHE B 24 4.876 14.780 6.455 1.00 0.00 N ATOM 1554 CA PHE B 24 5.829 15.708 7.048 1.00 0.00 C ATOM 1555 C PHE B 24 5.295 16.317 8.345 1.00 0.00 C ATOM 1556 O PHE B 24 6.071 16.649 9.246 1.00 0.00 O ATOM 1557 CB PHE B 24 6.154 16.816 6.036 1.00 0.00 C ATOM 1558 CG PHE B 24 7.200 17.794 6.497 1.00 0.00 C ATOM 1559 CD1 PHE B 24 8.547 17.490 6.389 1.00 0.00 C ATOM 1560 CD2 PHE B 24 6.835 19.020 7.032 1.00 0.00 C ATOM 1561 CE1 PHE B 24 9.511 18.389 6.808 1.00 0.00 C ATOM 1562 CE2 PHE B 24 7.794 19.921 7.452 1.00 0.00 C ATOM 1563 CZ PHE B 24 9.133 19.605 7.341 1.00 0.00 C ATOM 0 H PHE B 24 4.451 15.119 5.592 1.00 0.00 H new ATOM 0 HA PHE B 24 6.735 15.156 7.298 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.490 16.355 5.107 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.239 17.363 5.808 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.848 16.540 5.973 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.789 19.273 7.121 1.00 0.00 H new ATOM 0 HE1 PHE B 24 10.558 18.140 6.718 1.00 0.00 H new ATOM 0 HE2 PHE B 24 7.496 20.873 7.867 1.00 0.00 H new ATOM 0 HZ PHE B 24 9.884 20.308 7.671 1.00 0.00 H new ATOM 1573 N TYR B 25 3.981 16.459 8.448 1.00 0.00 N ATOM 1574 CA TYR B 25 3.384 17.151 9.581 1.00 0.00 C ATOM 1575 C TYR B 25 3.117 16.209 10.748 1.00 0.00 C ATOM 1576 O TYR B 25 3.003 16.656 11.890 1.00 0.00 O ATOM 1577 CB TYR B 25 2.103 17.867 9.154 1.00 0.00 C ATOM 1578 CG TYR B 25 2.353 18.951 8.131 1.00 0.00 C ATOM 1579 CD1 TYR B 25 2.687 20.241 8.526 1.00 0.00 C ATOM 1580 CD2 TYR B 25 2.269 18.684 6.769 1.00 0.00 C ATOM 1581 CE1 TYR B 25 2.935 21.230 7.594 1.00 0.00 C ATOM 1582 CE2 TYR B 25 2.514 19.668 5.833 1.00 0.00 C ATOM 1583 CZ TYR B 25 2.844 20.940 6.252 1.00 0.00 C ATOM 1584 OH TYR B 25 3.092 21.921 5.321 1.00 0.00 O ATOM 0 H TYR B 25 3.311 16.106 7.764 1.00 0.00 H new ATOM 0 HA TYR B 25 4.101 17.895 9.928 1.00 0.00 H new ATOM 0 HB2 TYR B 25 1.405 17.138 8.742 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.627 18.304 10.031 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.754 20.474 9.578 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.008 17.690 6.438 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.199 22.226 7.917 1.00 0.00 H new ATOM 0 HE2 TYR B 25 2.448 19.443 4.779 1.00 0.00 H new ATOM 0 HH TYR B 25 2.985 21.551 4.420 1.00 0.00 H new ATOM 1594 N GLY B 26 3.024 14.916 10.474 1.00 0.00 N ATOM 1595 CA GLY B 26 2.896 13.957 11.547 1.00 0.00 C ATOM 1596 C GLY B 26 1.466 13.527 11.796 1.00 0.00 C ATOM 1597 O GLY B 26 1.060 13.353 12.947 1.00 0.00 O ATOM 0 H GLY B 26 3.035 14.518 9.535 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.497 13.078 11.314 1.00 0.00 H new ATOM 0 HA3 GLY B 26 3.303 14.388 12.461 1.00 0.00 H new ATOM 1601 N ASP B 27 0.692 13.361 10.733 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.648 12.809 10.867 1.00 0.00 C ATOM 1603 C ASP B 27 -0.568 11.294 10.757 1.00 0.00 C ATOM 1604 O ASP B 27 -0.379 10.608 11.761 1.00 0.00 O ATOM 1605 CB ASP B 27 -1.599 13.384 9.809 1.00 0.00 C ATOM 1606 CG ASP B 27 -3.035 12.939 10.016 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -3.706 13.487 10.916 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -3.504 12.044 9.284 1.00 0.00 O ATOM 0 H ASP B 27 0.965 13.597 9.779 1.00 0.00 H new ATOM 0 HA ASP B 27 -1.051 13.085 11.841 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -1.552 14.473 9.836 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -1.265 13.075 8.818 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.672 10.798 9.531 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.483 9.385 9.216 1.00 0.00 C ATOM 1615 C GLU B 28 -0.871 9.155 7.769 1.00 0.00 C ATOM 1616 O GLU B 28 -1.866 9.704 7.297 1.00 0.00 O ATOM 1617 CB GLU B 28 -1.319 8.469 10.119 1.00 0.00 C ATOM 1618 CG GLU B 28 -0.983 6.996 9.948 1.00 0.00 C ATOM 1619 CD GLU B 28 -1.748 6.099 10.897 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -1.263 5.871 12.023 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -2.834 5.609 10.524 1.00 0.00 O ATOM 0 H GLU B 28 -0.893 11.371 8.717 1.00 0.00 H new ATOM 0 HA GLU B 28 0.565 9.138 9.385 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.162 8.753 11.160 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.376 8.622 9.903 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.198 6.697 8.922 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.086 6.853 10.104 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.090 8.366 7.059 1.00 0.00 N ATOM 1629 CA VAL B 29 -0.377 8.096 5.667 1.00 0.00 C ATOM 1630 C VAL B 29 -0.667 6.621 5.455 1.00 0.00 C ATOM 1631 O VAL B 29 0.225 5.778 5.563 1.00 0.00 O ATOM 1632 CB VAL B 29 0.782 8.520 4.744 1.00 0.00 C ATOM 1633 CG1 VAL B 29 0.432 8.242 3.293 1.00 0.00 C ATOM 1634 CG2 VAL B 29 1.117 9.990 4.936 1.00 0.00 C ATOM 0 H VAL B 29 0.744 7.903 7.421 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.256 8.686 5.408 1.00 0.00 H new ATOM 0 HB VAL B 29 1.661 7.933 5.010 1.00 0.00 H new ATOM 0 HG11 VAL B 29 1.261 8.547 2.654 1.00 0.00 H new ATOM 0 HG12 VAL B 29 0.246 7.176 3.161 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.462 8.803 3.020 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.938 10.266 4.274 1.00 0.00 H new ATOM 0 HG22 VAL B 29 0.242 10.596 4.701 1.00 0.00 H new ATOM 0 HG23 VAL B 29 1.412 10.164 5.971 1.00 0.00 H new ATOM 1644 N THR B 30 -1.919 6.313 5.174 1.00 0.00 N ATOM 1645 CA THR B 30 -2.304 4.960 4.838 1.00 0.00 C ATOM 1646 C THR B 30 -2.292 4.801 3.324 1.00 0.00 C ATOM 1647 O THR B 30 -2.347 5.797 2.599 1.00 0.00 O ATOM 1648 CB THR B 30 -3.706 4.612 5.394 1.00 0.00 C ATOM 1649 OG1 THR B 30 -4.703 5.439 4.784 1.00 0.00 O ATOM 1650 CG2 THR B 30 -3.748 4.795 6.904 1.00 0.00 C ATOM 0 H THR B 30 -2.687 6.985 5.172 1.00 0.00 H new ATOM 0 HA THR B 30 -1.590 4.274 5.294 1.00 0.00 H new ATOM 0 HB THR B 30 -3.912 3.568 5.160 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.580 6.367 5.073 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.743 4.545 7.273 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.012 4.140 7.371 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.519 5.832 7.151 1.00 0.00 H new ATOM 1658 N PRO B 31 -2.212 3.562 2.819 1.00 0.00 N ATOM 1659 CA PRO B 31 -2.225 3.288 1.373 1.00 0.00 C ATOM 1660 C PRO B 31 -3.537 3.698 0.695 1.00 0.00 C ATOM 1661 O PRO B 31 -3.727 3.460 -0.492 1.00 0.00 O ATOM 1662 CB PRO B 31 -2.039 1.768 1.284 1.00 0.00 C ATOM 1663 CG PRO B 31 -1.505 1.356 2.614 1.00 0.00 C ATOM 1664 CD PRO B 31 -2.067 2.331 3.607 1.00 0.00 C ATOM 0 HA PRO B 31 -1.452 3.860 0.860 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -2.983 1.269 1.068 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -1.348 1.503 0.484 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -1.805 0.336 2.856 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -0.415 1.377 2.620 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -3.023 1.993 4.007 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -1.398 2.472 4.456 1.00 0.00 H new ATOM 1672 N VAL B 32 -4.442 4.303 1.454 1.00 0.00 N ATOM 1673 CA VAL B 32 -5.713 4.762 0.912 1.00 0.00 C ATOM 1674 C VAL B 32 -5.739 6.294 0.863 1.00 0.00 C ATOM 1675 O VAL B 32 -6.710 6.904 0.412 1.00 0.00 O ATOM 1676 CB VAL B 32 -6.902 4.242 1.760 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -8.225 4.442 1.035 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -6.707 2.774 2.121 1.00 0.00 C ATOM 0 H VAL B 32 -4.318 4.487 2.450 1.00 0.00 H new ATOM 0 HA VAL B 32 -5.814 4.365 -0.098 1.00 0.00 H new ATOM 0 HB VAL B 32 -6.932 4.823 2.682 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -9.040 4.068 1.655 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -8.376 5.504 0.840 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -8.208 3.898 0.091 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -7.553 2.430 2.716 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -6.640 2.181 1.209 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -5.788 2.660 2.697 1.00 0.00 H new ATOM 1688 N ASP B 33 -4.657 6.914 1.318 1.00 0.00 N ATOM 1689 CA ASP B 33 -4.572 8.370 1.350 1.00 0.00 C ATOM 1690 C ASP B 33 -3.718 8.884 0.202 1.00 0.00 C ATOM 1691 O ASP B 33 -2.715 8.268 -0.159 1.00 0.00 O ATOM 1692 CB ASP B 33 -3.995 8.861 2.682 1.00 0.00 C ATOM 1693 CG ASP B 33 -4.875 8.520 3.870 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -6.100 8.765 3.805 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -4.349 7.990 4.875 1.00 0.00 O ATOM 0 H ASP B 33 -3.828 6.434 1.669 1.00 0.00 H new ATOM 0 HA ASP B 33 -5.584 8.761 1.244 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -3.009 8.421 2.829 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -3.858 9.941 2.636 1.00 0.00 H new ATOM 1700 N ASP B 34 -4.121 10.009 -0.376 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.369 10.611 -1.466 1.00 0.00 C ATOM 1702 C ASP B 34 -2.242 11.465 -0.919 1.00 0.00 C ATOM 1703 O ASP B 34 -2.470 12.429 -0.182 1.00 0.00 O ATOM 1704 CB ASP B 34 -4.260 11.471 -2.365 1.00 0.00 C ATOM 1705 CG ASP B 34 -5.388 10.693 -3.007 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -6.444 10.522 -2.364 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -5.233 10.269 -4.167 1.00 0.00 O ATOM 0 H ASP B 34 -4.962 10.520 -0.108 1.00 0.00 H new ATOM 0 HA ASP B 34 -2.961 9.796 -2.065 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.679 12.287 -1.776 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.649 11.923 -3.146 1.00 0.00 H new ATOM 1712 N TYR B 35 -1.027 11.114 -1.286 1.00 0.00 N ATOM 1713 CA TYR B 35 0.136 11.851 -0.846 1.00 0.00 C ATOM 1714 C TYR B 35 1.152 11.916 -1.970 1.00 0.00 C ATOM 1715 O TYR B 35 1.078 11.149 -2.925 1.00 0.00 O ATOM 1716 CB TYR B 35 0.751 11.204 0.400 1.00 0.00 C ATOM 1717 CG TYR B 35 1.351 9.832 0.171 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.545 8.711 0.008 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.726 9.661 0.131 1.00 0.00 C ATOM 1720 CE1 TYR B 35 1.097 7.458 -0.186 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.286 8.414 -0.061 1.00 0.00 C ATOM 1722 CZ TYR B 35 2.470 7.315 -0.218 1.00 0.00 C ATOM 1723 OH TYR B 35 3.033 6.069 -0.412 1.00 0.00 O ATOM 0 H TYR B 35 -0.820 10.319 -1.891 1.00 0.00 H new ATOM 0 HA TYR B 35 -0.168 12.864 -0.581 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.526 11.864 0.790 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -0.018 11.126 1.169 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.529 8.820 0.033 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.371 10.519 0.252 1.00 0.00 H new ATOM 0 HE1 TYR B 35 0.458 6.596 -0.312 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.360 8.300 -0.088 1.00 0.00 H new ATOM 0 HH TYR B 35 3.454 5.767 0.420 1.00 0.00 H new ATOM 1733 N VAL B 36 2.082 12.834 -1.874 1.00 0.00 N ATOM 1734 CA VAL B 36 3.119 12.951 -2.875 1.00 0.00 C ATOM 1735 C VAL B 36 4.477 12.875 -2.210 1.00 0.00 C ATOM 1736 O VAL B 36 4.670 13.397 -1.108 1.00 0.00 O ATOM 1737 CB VAL B 36 2.973 14.254 -3.691 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.130 14.444 -4.659 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.656 14.245 -4.449 1.00 0.00 C ATOM 0 H VAL B 36 2.144 13.512 -1.114 1.00 0.00 H new ATOM 0 HA VAL B 36 3.020 12.122 -3.576 1.00 0.00 H new ATOM 0 HB VAL B 36 2.986 15.089 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL B 36 3.991 15.371 -5.215 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.066 14.491 -4.102 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.164 13.606 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.560 15.167 -5.022 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.632 13.392 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.830 14.170 -3.742 1.00 0.00 H new ATOM 1749 N ILE B 37 5.392 12.175 -2.848 1.00 0.00 N ATOM 1750 CA ILE B 37 6.720 12.007 -2.309 1.00 0.00 C ATOM 1751 C ILE B 37 7.718 12.850 -3.084 1.00 0.00 C ATOM 1752 O ILE B 37 7.985 12.605 -4.276 1.00 0.00 O ATOM 1753 CB ILE B 37 7.145 10.523 -2.307 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.278 9.740 -1.318 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.620 10.376 -1.963 1.00 0.00 C ATOM 1756 CD1 ILE B 37 6.644 8.279 -1.207 1.00 0.00 C ATOM 0 H ILE B 37 5.237 11.713 -3.744 1.00 0.00 H new ATOM 0 HA ILE B 37 6.706 12.347 -1.274 1.00 0.00 H new ATOM 0 HB ILE B 37 6.998 10.117 -3.308 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.360 10.201 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.234 9.821 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE B 37 8.892 9.320 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.220 10.909 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.806 10.793 -0.973 1.00 0.00 H new ATOM 0 HD11 ILE B 37 5.985 7.793 -0.488 1.00 0.00 H new ATOM 0 HD12 ILE B 37 6.534 7.801 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE B 37 7.677 8.187 -0.873 1.00 0.00 H new ATOM 1768 N ASP B 38 8.247 13.854 -2.399 1.00 0.00 N ATOM 1769 CA ASP B 38 9.245 14.736 -2.976 1.00 0.00 C ATOM 1770 C ASP B 38 10.613 14.111 -2.802 1.00 0.00 C ATOM 1771 O ASP B 38 11.282 14.351 -1.801 1.00 0.00 O ATOM 1772 CB ASP B 38 9.223 16.124 -2.312 1.00 0.00 C ATOM 1773 CG ASP B 38 8.083 17.012 -2.785 1.00 0.00 C ATOM 1774 OD1 ASP B 38 6.953 16.508 -2.937 1.00 0.00 O ATOM 1775 OD2 ASP B 38 8.324 18.224 -3.007 1.00 0.00 O ATOM 0 H ASP B 38 7.997 14.077 -1.435 1.00 0.00 H new ATOM 0 HA ASP B 38 9.019 14.869 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP B 38 9.149 15.999 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP B 38 10.169 16.627 -2.511 1.00 0.00 H new ATOM 1780 N GLY B 39 10.979 13.238 -3.734 1.00 0.00 N ATOM 1781 CA GLY B 39 12.280 12.590 -3.696 1.00 0.00 C ATOM 1782 C GLY B 39 12.389 11.503 -2.635 1.00 0.00 C ATOM 1783 O GLY B 39 13.070 10.499 -2.833 1.00 0.00 O ATOM 0 H GLY B 39 10.393 12.965 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY B 39 12.488 12.154 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY B 39 13.046 13.343 -3.513 1.00 0.00 H new ATOM 1787 N GLY B 40 11.689 11.681 -1.535 1.00 0.00 N ATOM 1788 CA GLY B 40 11.851 10.811 -0.392 1.00 0.00 C ATOM 1789 C GLY B 40 11.099 11.336 0.808 1.00 0.00 C ATOM 1790 O GLY B 40 10.779 10.584 1.732 1.00 0.00 O ATOM 0 H GLY B 40 11.000 12.423 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY B 40 11.493 9.812 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY B 40 12.910 10.720 -0.149 1.00 0.00 H new ATOM 1794 N GLU B 41 10.818 12.634 0.796 1.00 0.00 N ATOM 1795 CA GLU B 41 9.987 13.235 1.821 1.00 0.00 C ATOM 1796 C GLU B 41 8.519 12.999 1.491 1.00 0.00 C ATOM 1797 O GLU B 41 8.119 13.015 0.327 1.00 0.00 O ATOM 1798 CB GLU B 41 10.268 14.734 1.943 1.00 0.00 C ATOM 1799 CG GLU B 41 11.678 15.054 2.420 1.00 0.00 C ATOM 1800 CD GLU B 41 12.007 14.405 3.750 1.00 0.00 C ATOM 1801 OE1 GLU B 41 11.449 14.830 4.785 1.00 0.00 O ATOM 1802 OE2 GLU B 41 12.827 13.462 3.772 1.00 0.00 O ATOM 0 H GLU B 41 11.155 13.286 0.087 1.00 0.00 H new ATOM 0 HA GLU B 41 10.222 12.770 2.778 1.00 0.00 H new ATOM 0 HB2 GLU B 41 10.106 15.205 0.974 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.551 15.174 2.636 1.00 0.00 H new ATOM 0 HG2 GLU B 41 12.395 14.720 1.670 1.00 0.00 H new ATOM 0 HG3 GLU B 41 11.790 16.134 2.510 1.00 0.00 H new ATOM 1809 N ILE B 42 7.732 12.770 2.521 1.00 0.00 N ATOM 1810 CA ILE B 42 6.335 12.402 2.363 1.00 0.00 C ATOM 1811 C ILE B 42 5.434 13.558 2.762 1.00 0.00 C ATOM 1812 O ILE B 42 5.475 14.020 3.896 1.00 0.00 O ATOM 1813 CB ILE B 42 5.980 11.180 3.234 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.860 9.984 2.861 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.505 10.829 3.080 1.00 0.00 C ATOM 1816 CD1 ILE B 42 6.798 8.846 3.858 1.00 0.00 C ATOM 0 H ILE B 42 8.039 12.833 3.492 1.00 0.00 H new ATOM 0 HA ILE B 42 6.180 12.153 1.313 1.00 0.00 H new ATOM 0 HB ILE B 42 6.167 11.431 4.278 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.558 9.614 1.882 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.893 10.319 2.770 1.00 0.00 H new ATOM 0 HG21 ILE B 42 4.270 9.965 3.701 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.895 11.677 3.392 1.00 0.00 H new ATOM 0 HG23 ILE B 42 4.294 10.595 2.037 1.00 0.00 H new ATOM 0 HD11 ILE B 42 7.447 8.036 3.526 1.00 0.00 H new ATOM 0 HD12 ILE B 42 7.129 9.199 4.834 1.00 0.00 H new ATOM 0 HD13 ILE B 42 5.773 8.483 3.932 1.00 0.00 H new ATOM 1828 N ILE B 43 4.627 14.033 1.831 1.00 0.00 N ATOM 1829 CA ILE B 43 3.699 15.105 2.135 1.00 0.00 C ATOM 1830 C ILE B 43 2.289 14.705 1.734 1.00 0.00 C ATOM 1831 O ILE B 43 2.045 14.359 0.576 1.00 0.00 O ATOM 1832 CB ILE B 43 4.055 16.431 1.411 1.00 0.00 C ATOM 1833 CG1 ILE B 43 5.551 16.749 1.519 1.00 0.00 C ATOM 1834 CG2 ILE B 43 3.237 17.582 1.986 1.00 0.00 C ATOM 1835 CD1 ILE B 43 6.401 16.053 0.474 1.00 0.00 C ATOM 0 H ILE B 43 4.595 13.697 0.868 1.00 0.00 H new ATOM 0 HA ILE B 43 3.766 15.274 3.210 1.00 0.00 H new ATOM 0 HB ILE B 43 3.813 16.306 0.356 1.00 0.00 H new ATOM 0 HG12 ILE B 43 5.691 17.826 1.430 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.903 16.463 2.510 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.496 18.506 1.470 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.175 17.377 1.851 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.454 17.687 3.049 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.447 16.327 0.614 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.292 14.973 0.576 1.00 0.00 H new ATOM 0 HD13 ILE B 43 6.077 16.358 -0.521 1.00 0.00 H new ATOM 1847 N LEU B 44 1.369 14.708 2.695 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.040 14.561 2.369 1.00 0.00 C ATOM 1849 C LEU B 44 -0.453 15.656 1.403 1.00 0.00 C ATOM 1850 O LEU B 44 0.040 16.786 1.479 1.00 0.00 O ATOM 1851 CB LEU B 44 -0.917 14.632 3.621 1.00 0.00 C ATOM 1852 CG LEU B 44 -0.929 13.374 4.478 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -1.756 13.594 5.736 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -1.470 12.193 3.686 1.00 0.00 C ATOM 0 H LEU B 44 1.572 14.809 3.689 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.180 13.582 1.912 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.579 15.467 4.235 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -1.940 14.854 3.316 1.00 0.00 H new ATOM 0 HG LEU B 44 0.096 13.150 4.773 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -1.754 12.684 6.337 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.327 14.412 6.315 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -2.780 13.843 5.459 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -1.471 11.303 4.315 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.488 12.409 3.361 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -0.839 12.020 2.814 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.374 15.334 0.513 1.00 0.00 N ATOM 1867 CA ARG B 45 -1.865 16.299 -0.458 1.00 0.00 C ATOM 1868 C ARG B 45 -2.690 17.385 0.222 1.00 0.00 C ATOM 1869 O ARG B 45 -3.191 18.298 -0.434 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.655 15.599 -1.562 1.00 0.00 C ATOM 1871 CG ARG B 45 -1.764 14.818 -2.512 1.00 0.00 C ATOM 1872 CD ARG B 45 -2.511 14.368 -3.752 1.00 0.00 C ATOM 1873 NE ARG B 45 -3.154 15.486 -4.442 1.00 0.00 N ATOM 1874 CZ ARG B 45 -4.060 15.342 -5.406 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -4.435 14.130 -5.800 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -4.601 16.413 -5.972 1.00 0.00 N ATOM 0 H ARG B 45 -1.799 14.410 0.441 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.008 16.786 -0.923 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.381 14.922 -1.111 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.219 16.341 -2.126 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.916 15.437 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -1.360 13.947 -1.996 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -1.818 13.873 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -3.265 13.632 -3.473 1.00 0.00 H new ATOM 0 HE ARG B 45 -2.892 16.433 -4.168 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.028 13.303 -5.363 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -5.130 14.026 -6.539 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.322 17.346 -5.668 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -5.295 16.303 -6.711 1.00 0.00 H new ATOM 1890 N GLU B 46 -2.813 17.274 1.544 1.00 0.00 N ATOM 1891 CA GLU B 46 -3.517 18.261 2.352 1.00 0.00 C ATOM 1892 C GLU B 46 -2.868 19.641 2.221 1.00 0.00 C ATOM 1893 O GLU B 46 -3.544 20.626 1.926 1.00 0.00 O ATOM 1894 CB GLU B 46 -3.524 17.818 3.818 1.00 0.00 C ATOM 1895 CG GLU B 46 -4.411 18.667 4.709 1.00 0.00 C ATOM 1896 CD GLU B 46 -5.848 18.685 4.231 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -6.468 17.606 4.163 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -6.355 19.775 3.908 1.00 0.00 O ATOM 0 H GLU B 46 -2.427 16.498 2.082 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.543 18.335 1.992 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -3.855 16.781 3.873 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -2.504 17.848 4.202 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.373 18.283 5.729 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -4.026 19.686 4.738 1.00 0.00 H new ATOM 1905 N ASN B 47 -1.555 19.712 2.432 1.00 0.00 N ATOM 1906 CA ASN B 47 -0.841 20.990 2.335 1.00 0.00 C ATOM 1907 C ASN B 47 0.333 20.863 1.373 1.00 0.00 C ATOM 1908 O ASN B 47 1.262 21.672 1.380 1.00 0.00 O ATOM 1909 CB ASN B 47 -0.346 21.453 3.710 1.00 0.00 C ATOM 1910 CG ASN B 47 -0.058 22.947 3.746 1.00 0.00 C ATOM 1911 OD1 ASN B 47 -0.736 23.737 3.088 1.00 0.00 O ATOM 1912 ND2 ASN B 47 0.956 23.344 4.494 1.00 0.00 N ATOM 0 H ASN B 47 -0.967 18.912 2.668 1.00 0.00 H new ATOM 0 HA ASN B 47 -1.537 21.738 1.955 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -1.095 21.211 4.464 1.00 0.00 H new ATOM 0 HB3 ASN B 47 0.559 20.904 3.972 1.00 0.00 H new ATOM 0 HD21 ASN B 47 1.199 24.334 4.540 1.00 0.00 H new ATOM 0 HD22 ASN B 47 1.496 22.661 5.026 1.00 0.00 H new ATOM 1919 N LEU B 48 0.258 19.841 0.528 1.00 0.00 N ATOM 1920 CA LEU B 48 1.289 19.564 -0.470 1.00 0.00 C ATOM 1921 C LEU B 48 1.581 20.788 -1.332 1.00 0.00 C ATOM 1922 O LEU B 48 2.729 21.045 -1.695 1.00 0.00 O ATOM 1923 CB LEU B 48 0.829 18.424 -1.372 1.00 0.00 C ATOM 1924 CG LEU B 48 1.756 18.109 -2.540 1.00 0.00 C ATOM 1925 CD1 LEU B 48 2.966 17.321 -2.070 1.00 0.00 C ATOM 1926 CD2 LEU B 48 0.999 17.362 -3.623 1.00 0.00 C ATOM 0 H LEU B 48 -0.519 19.180 0.514 1.00 0.00 H new ATOM 0 HA LEU B 48 2.201 19.291 0.060 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.715 17.525 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.157 18.669 -1.767 1.00 0.00 H new ATOM 0 HG LEU B 48 2.117 19.047 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU B 48 3.614 17.107 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.516 17.905 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU B 48 2.638 16.384 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.672 17.143 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.608 16.429 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.173 17.977 -3.979 1.00 0.00 H new ATOM 1938 N GLU B 49 0.529 21.534 -1.641 1.00 0.00 N ATOM 1939 CA GLU B 49 0.610 22.681 -2.537 1.00 0.00 C ATOM 1940 C GLU B 49 1.711 23.651 -2.110 1.00 0.00 C ATOM 1941 O GLU B 49 2.494 24.123 -2.937 1.00 0.00 O ATOM 1942 CB GLU B 49 -0.735 23.404 -2.571 1.00 0.00 C ATOM 1943 CG GLU B 49 -1.930 22.472 -2.728 1.00 0.00 C ATOM 1944 CD GLU B 49 -1.824 21.572 -3.942 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -2.137 22.030 -5.057 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -1.432 20.398 -3.787 1.00 0.00 O ATOM 0 H GLU B 49 -0.408 21.361 -1.277 1.00 0.00 H new ATOM 0 HA GLU B 49 0.857 22.314 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -0.852 23.978 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -0.732 24.118 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.023 21.856 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -2.840 23.067 -2.802 1.00 0.00 H new ATOM 1953 N ARG B 50 1.792 23.923 -0.813 1.00 0.00 N ATOM 1954 CA ARG B 50 2.786 24.860 -0.301 1.00 0.00 C ATOM 1955 C ARG B 50 4.183 24.249 -0.317 1.00 0.00 C ATOM 1956 O ARG B 50 5.166 24.935 -0.600 1.00 0.00 O ATOM 1957 CB ARG B 50 2.429 25.326 1.112 1.00 0.00 C ATOM 1958 CG ARG B 50 1.579 26.587 1.141 1.00 0.00 C ATOM 1959 CD ARG B 50 0.190 26.359 0.563 1.00 0.00 C ATOM 1960 NE ARG B 50 -0.542 27.615 0.398 1.00 0.00 N ATOM 1961 CZ ARG B 50 -1.128 28.277 1.395 1.00 0.00 C ATOM 1962 NH1 ARG B 50 -1.109 27.781 2.628 1.00 0.00 N ATOM 1963 NH2 ARG B 50 -1.743 29.428 1.154 1.00 0.00 N ATOM 0 H ARG B 50 1.187 23.512 -0.102 1.00 0.00 H new ATOM 0 HA ARG B 50 2.784 25.727 -0.961 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.895 24.526 1.625 1.00 0.00 H new ATOM 0 HB3 ARG B 50 3.348 25.505 1.670 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.489 26.939 2.169 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.080 27.374 0.577 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.275 25.858 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.372 25.694 1.219 1.00 0.00 H new ATOM 0 HE ARG B 50 -0.608 28.009 -0.540 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -0.645 26.892 2.813 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -1.558 28.290 3.389 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.767 29.805 0.206 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -2.192 29.936 1.916 1.00 0.00 H new ATOM 1977 N TYR B 51 4.272 22.954 -0.039 1.00 0.00 N ATOM 1978 CA TYR B 51 5.562 22.280 -0.025 1.00 0.00 C ATOM 1979 C TYR B 51 6.139 22.224 -1.437 1.00 0.00 C ATOM 1980 O TYR B 51 7.347 22.357 -1.626 1.00 0.00 O ATOM 1981 CB TYR B 51 5.444 20.871 0.561 1.00 0.00 C ATOM 1982 CG TYR B 51 6.782 20.258 0.919 1.00 0.00 C ATOM 1983 CD1 TYR B 51 7.373 20.514 2.150 1.00 0.00 C ATOM 1984 CD2 TYR B 51 7.454 19.428 0.030 1.00 0.00 C ATOM 1985 CE1 TYR B 51 8.596 19.959 2.484 1.00 0.00 C ATOM 1986 CE2 TYR B 51 8.676 18.868 0.358 1.00 0.00 C ATOM 1987 CZ TYR B 51 9.244 19.137 1.584 1.00 0.00 C ATOM 1988 OH TYR B 51 10.461 18.581 1.914 1.00 0.00 O ATOM 0 H TYR B 51 3.475 22.356 0.178 1.00 0.00 H new ATOM 0 HA TYR B 51 6.238 22.851 0.612 1.00 0.00 H new ATOM 0 HB2 TYR B 51 4.818 20.907 1.453 1.00 0.00 H new ATOM 0 HB3 TYR B 51 4.938 20.227 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR B 51 6.870 21.156 2.858 1.00 0.00 H new ATOM 0 HD2 TYR B 51 7.015 19.216 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR B 51 9.042 20.168 3.445 1.00 0.00 H new ATOM 0 HE2 TYR B 51 9.183 18.223 -0.344 1.00 0.00 H new ATOM 0 HH TYR B 51 10.780 18.028 1.171 1.00 0.00 H new ATOM 1998 N LEU B 52 5.269 22.051 -2.428 1.00 0.00 N ATOM 1999 CA LEU B 52 5.685 22.079 -3.826 1.00 0.00 C ATOM 2000 C LEU B 52 6.127 23.483 -4.226 1.00 0.00 C ATOM 2001 O LEU B 52 6.999 23.651 -5.068 1.00 0.00 O ATOM 2002 CB LEU B 52 4.554 21.611 -4.744 1.00 0.00 C ATOM 2003 CG LEU B 52 4.132 20.152 -4.576 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.009 19.816 -5.543 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.318 19.220 -4.791 1.00 0.00 C ATOM 0 H LEU B 52 4.272 21.890 -2.288 1.00 0.00 H new ATOM 0 HA LEU B 52 6.527 21.396 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.684 22.245 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.861 21.765 -5.778 1.00 0.00 H new ATOM 0 HG LEU B 52 3.770 20.012 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU B 52 2.717 18.774 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.153 20.460 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU B 52 3.351 19.973 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU B 52 4.996 18.186 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU B 52 5.712 19.359 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.096 19.447 -4.062 1.00 0.00 H new ATOM 2017 N ARG B 53 5.528 24.497 -3.618 1.00 0.00 N ATOM 2018 CA ARG B 53 5.940 25.869 -3.881 1.00 0.00 C ATOM 2019 C ARG B 53 7.323 26.140 -3.292 1.00 0.00 C ATOM 2020 O ARG B 53 8.039 27.033 -3.748 1.00 0.00 O ATOM 2021 CB ARG B 53 4.914 26.866 -3.337 1.00 0.00 C ATOM 2022 CG ARG B 53 3.641 26.923 -4.166 1.00 0.00 C ATOM 2023 CD ARG B 53 2.714 28.038 -3.711 1.00 0.00 C ATOM 2024 NE ARG B 53 1.602 28.229 -4.643 1.00 0.00 N ATOM 2025 CZ ARG B 53 1.044 29.410 -4.908 1.00 0.00 C ATOM 2026 NH1 ARG B 53 1.400 30.492 -4.225 1.00 0.00 N ATOM 2027 NH2 ARG B 53 0.101 29.501 -5.832 1.00 0.00 N ATOM 0 H ARG B 53 4.765 24.399 -2.948 1.00 0.00 H new ATOM 0 HA ARG B 53 5.996 26.002 -4.961 1.00 0.00 H new ATOM 0 HB2 ARG B 53 4.661 26.595 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG B 53 5.363 27.859 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG B 53 3.898 27.071 -5.215 1.00 0.00 H new ATOM 0 HG3 ARG B 53 3.120 25.968 -4.097 1.00 0.00 H new ATOM 0 HD2 ARG B 53 2.323 27.805 -2.720 1.00 0.00 H new ATOM 0 HD3 ARG B 53 3.278 28.967 -3.621 1.00 0.00 H new ATOM 0 HE ARG B 53 1.231 27.407 -5.119 1.00 0.00 H new ATOM 0 HH11 ARG B 53 2.105 30.423 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG B 53 0.968 31.392 -4.434 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -0.197 28.668 -6.340 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -0.327 30.404 -6.036 1.00 0.00 H new ATOM 2041 N GLU B 54 7.693 25.368 -2.279 1.00 0.00 N ATOM 2042 CA GLU B 54 9.019 25.479 -1.680 1.00 0.00 C ATOM 2043 C GLU B 54 10.029 24.568 -2.386 1.00 0.00 C ATOM 2044 O GLU B 54 11.062 25.028 -2.871 1.00 0.00 O ATOM 2045 CB GLU B 54 8.964 25.136 -0.189 1.00 0.00 C ATOM 2046 CG GLU B 54 8.183 26.136 0.646 1.00 0.00 C ATOM 2047 CD GLU B 54 8.798 27.521 0.623 1.00 0.00 C ATOM 2048 OE1 GLU B 54 9.904 27.693 1.179 1.00 0.00 O ATOM 2049 OE2 GLU B 54 8.180 28.443 0.051 1.00 0.00 O ATOM 0 H GLU B 54 7.096 24.659 -1.854 1.00 0.00 H new ATOM 0 HA GLU B 54 9.348 26.511 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU B 54 8.516 24.150 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU B 54 9.982 25.072 0.197 1.00 0.00 H new ATOM 0 HG2 GLU B 54 7.159 26.191 0.276 1.00 0.00 H new ATOM 0 HG3 GLU B 54 8.132 25.782 1.676 1.00 0.00 H new ATOM 2056 N GLN B 55 9.719 23.277 -2.448 1.00 0.00 N ATOM 2057 CA GLN B 55 10.641 22.284 -2.995 1.00 0.00 C ATOM 2058 C GLN B 55 10.292 21.957 -4.446 1.00 0.00 C ATOM 2059 O GLN B 55 11.124 22.125 -5.342 1.00 0.00 O ATOM 2060 CB GLN B 55 10.593 21.008 -2.151 1.00 0.00 C ATOM 2061 CG GLN B 55 11.716 20.032 -2.459 1.00 0.00 C ATOM 2062 CD GLN B 55 13.078 20.552 -2.022 1.00 0.00 C ATOM 2063 OE1 GLN B 55 13.098 21.353 -0.965 1.00 0.00 O flip ATOM 2064 NE2 GLN B 55 14.105 20.238 -2.622 1.00 0.00 N flip ATOM 0 H GLN B 55 8.832 22.891 -2.125 1.00 0.00 H new ATOM 0 HA GLN B 55 11.648 22.700 -2.968 1.00 0.00 H new ATOM 0 HB2 GLN B 55 10.637 21.278 -1.096 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.636 20.511 -2.313 1.00 0.00 H new ATOM 0 HG2 GLN B 55 11.516 19.084 -1.960 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.734 19.831 -3.530 1.00 0.00 H new ATOM 0 HE21 GLN B 55 14.054 19.620 -3.432 1.00 0.00 H new ATOM 0 HE22 GLN B 55 15.008 20.596 -2.310 1.00 0.00 H new ATOM 2073 N LEU B 56 9.061 21.477 -4.646 1.00 0.00 N ATOM 2074 CA LEU B 56 8.508 21.165 -5.971 1.00 0.00 C ATOM 2075 C LEU B 56 8.944 19.783 -6.457 1.00 0.00 C ATOM 2076 O LEU B 56 9.311 19.610 -7.616 1.00 0.00 O ATOM 2077 CB LEU B 56 8.873 22.242 -7.009 1.00 0.00 C ATOM 2078 CG LEU B 56 8.078 22.184 -8.316 1.00 0.00 C ATOM 2079 CD1 LEU B 56 6.628 22.571 -8.080 1.00 0.00 C ATOM 2080 CD2 LEU B 56 8.711 23.086 -9.364 1.00 0.00 C ATOM 0 H LEU B 56 8.410 21.291 -3.883 1.00 0.00 H new ATOM 0 HA LEU B 56 7.424 21.156 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.728 23.223 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU B 56 9.934 22.153 -7.243 1.00 0.00 H new ATOM 0 HG LEU B 56 8.100 21.159 -8.686 1.00 0.00 H new ATOM 0 HD11 LEU B 56 6.081 22.523 -9.021 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.179 21.882 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU B 56 6.582 23.586 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU B 56 8.133 23.033 -10.287 1.00 0.00 H new ATOM 0 HD22 LEU B 56 8.721 24.114 -9.001 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.733 22.759 -9.556 1.00 0.00 H new ATOM 2092 N GLY B 57 8.896 18.800 -5.567 1.00 0.00 N ATOM 2093 CA GLY B 57 9.122 17.420 -5.964 1.00 0.00 C ATOM 2094 C GLY B 57 10.588 17.054 -6.086 1.00 0.00 C ATOM 2095 O GLY B 57 11.024 16.030 -5.559 1.00 0.00 O ATOM 0 H GLY B 57 8.704 18.932 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY B 57 8.651 16.760 -5.236 1.00 0.00 H new ATOM 0 HA3 GLY B 57 8.631 17.241 -6.921 1.00 0.00 H new ATOM 2099 N PHE B 58 11.342 17.876 -6.795 1.00 0.00 N ATOM 2100 CA PHE B 58 12.758 17.632 -6.999 1.00 0.00 C ATOM 2101 C PHE B 58 13.516 17.858 -5.703 1.00 0.00 C ATOM 2102 O PHE B 58 13.437 18.940 -5.124 1.00 0.00 O ATOM 2103 CB PHE B 58 13.329 18.580 -8.058 1.00 0.00 C ATOM 2104 CG PHE B 58 12.526 18.673 -9.323 1.00 0.00 C ATOM 2105 CD1 PHE B 58 12.668 17.727 -10.321 1.00 0.00 C ATOM 2106 CD2 PHE B 58 11.647 19.729 -9.520 1.00 0.00 C ATOM 2107 CE1 PHE B 58 11.946 17.827 -11.493 1.00 0.00 C ATOM 2108 CE2 PHE B 58 10.920 19.832 -10.688 1.00 0.00 C ATOM 2109 CZ PHE B 58 11.072 18.882 -11.677 1.00 0.00 C ATOM 0 H PHE B 58 10.993 18.724 -7.242 1.00 0.00 H new ATOM 0 HA PHE B 58 12.872 16.601 -7.333 1.00 0.00 H new ATOM 0 HB2 PHE B 58 13.414 19.577 -7.625 1.00 0.00 H new ATOM 0 HB3 PHE B 58 14.339 18.255 -8.309 1.00 0.00 H new ATOM 0 HD1 PHE B 58 13.351 16.902 -10.182 1.00 0.00 H new ATOM 0 HD2 PHE B 58 11.531 20.478 -8.751 1.00 0.00 H new ATOM 0 HE1 PHE B 58 12.064 17.082 -12.266 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.234 20.654 -10.828 1.00 0.00 H new ATOM 0 HZ PHE B 58 10.508 18.963 -12.595 1.00 0.00 H new ATOM 2119 N GLU B 59 14.263 16.864 -5.252 1.00 0.00 N ATOM 2120 CA GLU B 59 15.128 17.074 -4.109 1.00 0.00 C ATOM 2121 C GLU B 59 16.503 17.496 -4.579 1.00 0.00 C ATOM 2122 O GLU B 59 17.303 16.675 -5.028 1.00 0.00 O ATOM 2123 CB GLU B 59 15.260 15.824 -3.245 1.00 0.00 C ATOM 2124 CG GLU B 59 14.017 15.479 -2.456 1.00 0.00 C ATOM 2125 CD GLU B 59 14.329 14.571 -1.288 1.00 0.00 C ATOM 2126 OE1 GLU B 59 14.777 13.428 -1.518 1.00 0.00 O ATOM 2127 OE2 GLU B 59 14.182 15.015 -0.132 1.00 0.00 O ATOM 0 H GLU B 59 14.288 15.925 -5.650 1.00 0.00 H new ATOM 0 HA GLU B 59 14.674 17.856 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU B 59 15.516 14.980 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU B 59 16.090 15.962 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU B 59 13.552 16.395 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU B 59 13.293 14.994 -3.111 1.00 0.00 H new ATOM 2134 N PHE B 60 16.762 18.783 -4.480 1.00 0.00 N ATOM 2135 CA PHE B 60 18.052 19.331 -4.848 1.00 0.00 C ATOM 2136 C PHE B 60 19.029 19.133 -3.709 1.00 0.00 C ATOM 2137 O PHE B 60 19.166 19.984 -2.833 1.00 0.00 O ATOM 2138 CB PHE B 60 17.932 20.813 -5.205 1.00 0.00 C ATOM 2139 CG PHE B 60 17.048 21.071 -6.391 1.00 0.00 C ATOM 2140 CD1 PHE B 60 17.523 20.877 -7.679 1.00 0.00 C ATOM 2141 CD2 PHE B 60 15.742 21.505 -6.219 1.00 0.00 C ATOM 2142 CE1 PHE B 60 16.712 21.113 -8.773 1.00 0.00 C ATOM 2143 CE2 PHE B 60 14.928 21.742 -7.310 1.00 0.00 C ATOM 2144 CZ PHE B 60 15.413 21.544 -8.589 1.00 0.00 C ATOM 0 H PHE B 60 16.091 19.474 -4.145 1.00 0.00 H new ATOM 0 HA PHE B 60 18.421 18.806 -5.729 1.00 0.00 H new ATOM 0 HB2 PHE B 60 17.541 21.356 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE B 60 18.926 21.212 -5.408 1.00 0.00 H new ATOM 0 HD1 PHE B 60 18.537 20.538 -7.829 1.00 0.00 H new ATOM 0 HD2 PHE B 60 15.357 21.659 -5.222 1.00 0.00 H new ATOM 0 HE1 PHE B 60 17.094 20.960 -9.772 1.00 0.00 H new ATOM 0 HE2 PHE B 60 13.913 22.082 -7.163 1.00 0.00 H new ATOM 0 HZ PHE B 60 14.777 21.726 -9.443 1.00 0.00 H new ATOM 2154 N LYS B 61 19.685 17.989 -3.708 1.00 0.00 N ATOM 2155 CA LYS B 61 20.566 17.640 -2.614 1.00 0.00 C ATOM 2156 C LYS B 61 22.020 17.734 -3.038 1.00 0.00 C ATOM 2157 O LYS B 61 22.654 16.740 -3.398 1.00 0.00 O ATOM 2158 CB LYS B 61 20.224 16.252 -2.065 1.00 0.00 C ATOM 2159 CG LYS B 61 18.959 16.248 -1.218 1.00 0.00 C ATOM 2160 CD LYS B 61 18.503 14.842 -0.863 1.00 0.00 C ATOM 2161 CE LYS B 61 17.395 14.873 0.180 1.00 0.00 C ATOM 2162 NZ LYS B 61 16.720 13.556 0.330 1.00 0.00 N ATOM 0 H LYS B 61 19.625 17.290 -4.448 1.00 0.00 H new ATOM 0 HA LYS B 61 20.416 18.358 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS B 61 20.101 15.558 -2.896 1.00 0.00 H new ATOM 0 HB3 LYS B 61 21.058 15.888 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS B 61 19.137 16.811 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS B 61 18.162 16.760 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS B 61 18.149 14.334 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS B 61 19.348 14.267 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS B 61 17.812 15.176 1.140 1.00 0.00 H new ATOM 0 HE3 LYS B 61 16.658 15.626 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 16.095 13.579 1.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 16.157 13.355 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 17.435 12.812 0.455 1.00 0.00 H new ATOM 2176 N ASN B 62 22.521 18.959 -3.033 1.00 0.00 N ATOM 2177 CA ASN B 62 23.919 19.219 -3.317 1.00 0.00 C ATOM 2178 C ASN B 62 24.781 18.754 -2.157 1.00 0.00 C ATOM 2179 O ASN B 62 24.298 18.628 -1.029 1.00 0.00 O ATOM 2180 CB ASN B 62 24.152 20.711 -3.571 1.00 0.00 C ATOM 2181 CG ASN B 62 23.641 21.163 -4.926 1.00 0.00 C ATOM 2182 OD1 ASN B 62 22.495 21.595 -5.066 1.00 0.00 O ATOM 2183 ND2 ASN B 62 24.488 21.058 -5.935 1.00 0.00 N ATOM 0 H ASN B 62 21.972 19.795 -2.833 1.00 0.00 H new ATOM 0 HA ASN B 62 24.195 18.666 -4.215 1.00 0.00 H new ATOM 0 HB2 ASN B 62 23.658 21.289 -2.790 1.00 0.00 H new ATOM 0 HB3 ASN B 62 25.218 20.925 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN B 62 24.202 21.340 -6.873 1.00 0.00 H new ATOM 0 HD22 ASN B 62 25.428 20.695 -5.776 1.00 0.00 H new ATOM 2190 N ALA B 63 26.055 18.512 -2.437 1.00 0.00 N ATOM 2191 CA ALA B 63 26.986 18.038 -1.422 1.00 0.00 C ATOM 2192 C ALA B 63 27.095 19.031 -0.277 1.00 0.00 C ATOM 2193 O ALA B 63 27.099 18.647 0.893 1.00 0.00 O ATOM 2194 CB ALA B 63 28.355 17.799 -2.035 1.00 0.00 C ATOM 0 H ALA B 63 26.468 18.637 -3.361 1.00 0.00 H new ATOM 0 HA ALA B 63 26.604 17.098 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA B 63 29.041 17.445 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA B 63 28.275 17.050 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA B 63 28.732 18.730 -2.457 1.00 0.00 H new ATOM 2200 N GLN B 64 27.174 20.313 -0.636 1.00 0.00 N ATOM 2201 CA GLN B 64 27.306 21.394 0.332 1.00 0.00 C ATOM 2202 C GLN B 64 28.519 21.157 1.229 1.00 0.00 C ATOM 2203 O GLN B 64 28.401 21.043 2.449 1.00 0.00 O ATOM 2204 CB GLN B 64 26.021 21.536 1.161 1.00 0.00 C ATOM 2205 CG GLN B 64 25.986 22.783 2.031 1.00 0.00 C ATOM 2206 CD GLN B 64 24.661 22.963 2.750 1.00 0.00 C ATOM 2207 OE1 GLN B 64 23.976 21.993 3.076 1.00 0.00 O ATOM 2208 NE2 GLN B 64 24.288 24.208 2.994 1.00 0.00 N ATOM 0 H GLN B 64 27.148 20.627 -1.606 1.00 0.00 H new ATOM 0 HA GLN B 64 27.461 22.329 -0.206 1.00 0.00 H new ATOM 0 HB2 GLN B 64 25.165 21.551 0.487 1.00 0.00 H new ATOM 0 HB3 GLN B 64 25.911 20.658 1.797 1.00 0.00 H new ATOM 0 HG2 GLN B 64 26.789 22.730 2.766 1.00 0.00 H new ATOM 0 HG3 GLN B 64 26.179 23.658 1.411 1.00 0.00 H new ATOM 0 HE21 GLN B 64 24.884 24.984 2.708 1.00 0.00 H new ATOM 0 HE22 GLN B 64 23.404 24.392 3.469 1.00 0.00 H new ATOM 2217 N LEU B 65 29.685 21.059 0.605 1.00 0.00 N ATOM 2218 CA LEU B 65 30.923 20.860 1.340 1.00 0.00 C ATOM 2219 C LEU B 65 31.184 22.065 2.230 1.00 0.00 C ATOM 2220 O LEU B 65 31.136 23.207 1.763 1.00 0.00 O ATOM 2221 CB LEU B 65 32.116 20.654 0.396 1.00 0.00 C ATOM 2222 CG LEU B 65 31.968 19.532 -0.637 1.00 0.00 C ATOM 2223 CD1 LEU B 65 31.232 20.032 -1.871 1.00 0.00 C ATOM 2224 CD2 LEU B 65 33.330 18.974 -1.018 1.00 0.00 C ATOM 0 H LEU B 65 29.798 21.114 -0.407 1.00 0.00 H new ATOM 0 HA LEU B 65 30.813 19.960 1.946 1.00 0.00 H new ATOM 0 HB2 LEU B 65 32.299 21.588 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU B 65 33.001 20.451 0.999 1.00 0.00 H new ATOM 0 HG LEU B 65 31.380 18.730 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU B 65 31.137 19.220 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU B 65 30.240 20.382 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU B 65 31.791 20.853 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU B 65 33.205 18.178 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU B 65 33.942 19.768 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU B 65 33.821 18.575 -0.130 1.00 0.00 H new