USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=10 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 Single : A 21 GLN : amide:sc= -2.57 K(o=-2.6,f=-5.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.14) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.198 K(o=-0.2,f=-0.7) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.234! X(o=-0.23!,f=-0.16) USER MOD Single : B 21 GLN : amide:sc= 0.818 K(o=0.82,f=-0.87) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -34:sc= 1.2 USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 ASN :FLIP amide:sc= 0.774 F(o=-0.16,f=0.77) USER MOD Single : B 51 TYR OH : rot 174:sc= 0.436 USER MOD Single : B 55 GLN : amide:sc= 0.926 K(o=0.93,f=-0.039) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 ASN : amide:sc= 0.365 X(o=0.37,f=0) USER MOD Single : B 64 GLN :FLIP amide:sc=-0.00623 F(o=-1.3!,f=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 25.455 6.304 4.192 1.00 0.00 N ATOM 298 CA ASP A 19 24.894 7.265 3.251 1.00 0.00 C ATOM 299 C ASP A 19 25.532 7.048 1.887 1.00 0.00 C ATOM 300 O ASP A 19 25.479 7.900 1.006 1.00 0.00 O ATOM 301 CB ASP A 19 25.139 8.695 3.752 1.00 0.00 C ATOM 302 CG ASP A 19 24.161 9.710 3.178 1.00 0.00 C ATOM 303 OD1 ASP A 19 22.946 9.599 3.464 1.00 0.00 O ATOM 304 OD2 ASP A 19 24.600 10.638 2.472 1.00 0.00 O ATOM 0 HA ASP A 19 23.817 7.120 3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 19 25.069 8.708 4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 19 26.155 8.994 3.494 1.00 0.00 H new ATOM 309 N VAL A 20 26.135 5.876 1.727 1.00 0.00 N ATOM 310 CA VAL A 20 26.806 5.517 0.489 1.00 0.00 C ATOM 311 C VAL A 20 25.803 4.901 -0.476 1.00 0.00 C ATOM 312 O VAL A 20 25.406 3.744 -0.326 1.00 0.00 O ATOM 313 CB VAL A 20 27.957 4.521 0.742 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.784 4.316 -0.520 1.00 0.00 C ATOM 315 CG2 VAL A 20 28.832 4.993 1.895 1.00 0.00 C ATOM 0 H VAL A 20 26.171 5.155 2.447 1.00 0.00 H new ATOM 0 HA VAL A 20 27.229 6.424 0.058 1.00 0.00 H new ATOM 0 HB VAL A 20 27.522 3.560 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 20 29.589 3.610 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 20 28.147 3.922 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 20 29.208 5.269 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.638 4.277 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.256 5.968 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.230 5.073 2.800 1.00 0.00 H new ATOM 325 N GLN A 21 25.379 5.684 -1.451 1.00 0.00 N ATOM 326 CA GLN A 21 24.356 5.253 -2.386 1.00 0.00 C ATOM 327 C GLN A 21 24.835 5.389 -3.825 1.00 0.00 C ATOM 328 O GLN A 21 25.865 6.005 -4.096 1.00 0.00 O ATOM 329 CB GLN A 21 23.057 6.049 -2.168 1.00 0.00 C ATOM 330 CG GLN A 21 23.257 7.457 -1.612 1.00 0.00 C ATOM 331 CD GLN A 21 24.072 8.354 -2.523 1.00 0.00 C ATOM 332 OE1 GLN A 21 25.291 8.423 -2.419 1.00 0.00 O ATOM 333 NE2 GLN A 21 23.399 9.049 -3.423 1.00 0.00 N ATOM 0 H GLN A 21 25.730 6.627 -1.616 1.00 0.00 H new ATOM 0 HA GLN A 21 24.151 4.199 -2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.527 6.120 -3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.415 5.491 -1.486 1.00 0.00 H new ATOM 0 HG2 GLN A 21 22.282 7.914 -1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 21 23.752 7.390 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 21 22.384 8.964 -3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.894 9.670 -4.063 1.00 0.00 H new ATOM 342 N ILE A 22 24.103 4.789 -4.746 1.00 0.00 N ATOM 343 CA ILE A 22 24.424 4.906 -6.157 1.00 0.00 C ATOM 344 C ILE A 22 23.290 5.611 -6.893 1.00 0.00 C ATOM 345 O ILE A 22 22.138 5.583 -6.451 1.00 0.00 O ATOM 346 CB ILE A 22 24.695 3.526 -6.803 1.00 0.00 C ATOM 347 CG1 ILE A 22 25.730 2.742 -5.990 1.00 0.00 C ATOM 348 CG2 ILE A 22 25.185 3.692 -8.235 1.00 0.00 C ATOM 349 CD1 ILE A 22 26.140 1.435 -6.632 1.00 0.00 C ATOM 0 H ILE A 22 23.283 4.217 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 22 25.337 5.496 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 22 23.758 2.969 -6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.615 3.362 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.323 2.539 -4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.370 2.711 -8.672 1.00 0.00 H new ATOM 0 HG22 ILE A 22 24.428 4.213 -8.821 1.00 0.00 H new ATOM 0 HG23 ILE A 22 26.109 4.271 -8.239 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.875 0.934 -6.001 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.265 0.796 -6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.577 1.632 -7.611 1.00 0.00 H new ATOM 361 N ASP A 23 23.624 6.255 -8.003 1.00 0.00 N ATOM 362 CA ASP A 23 22.660 7.002 -8.784 1.00 0.00 C ATOM 363 C ASP A 23 21.903 6.070 -9.741 1.00 0.00 C ATOM 364 O ASP A 23 21.871 4.853 -9.550 1.00 0.00 O ATOM 365 CB ASP A 23 23.385 8.094 -9.578 1.00 0.00 C ATOM 366 CG ASP A 23 24.100 7.557 -10.804 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.944 6.644 -10.663 1.00 0.00 O ATOM 368 OD2 ASP A 23 23.782 8.029 -11.916 1.00 0.00 O ATOM 0 H ASP A 23 24.570 6.272 -8.383 1.00 0.00 H new ATOM 0 HA ASP A 23 21.937 7.461 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.664 8.851 -9.887 1.00 0.00 H new ATOM 0 HB3 ASP A 23 24.108 8.588 -8.929 1.00 0.00 H new ATOM 373 N PHE A 24 21.308 6.650 -10.772 1.00 0.00 N ATOM 374 CA PHE A 24 20.512 5.907 -11.736 1.00 0.00 C ATOM 375 C PHE A 24 21.404 5.201 -12.764 1.00 0.00 C ATOM 376 O PHE A 24 21.001 4.209 -13.367 1.00 0.00 O ATOM 377 CB PHE A 24 19.549 6.874 -12.436 1.00 0.00 C ATOM 378 CG PHE A 24 18.457 6.207 -13.221 1.00 0.00 C ATOM 379 CD1 PHE A 24 17.335 5.711 -12.577 1.00 0.00 C ATOM 380 CD2 PHE A 24 18.544 6.084 -14.598 1.00 0.00 C ATOM 381 CE1 PHE A 24 16.322 5.104 -13.293 1.00 0.00 C ATOM 382 CE2 PHE A 24 17.533 5.477 -15.318 1.00 0.00 C ATOM 383 CZ PHE A 24 16.421 4.986 -14.664 1.00 0.00 C ATOM 0 H PHE A 24 21.364 7.650 -10.964 1.00 0.00 H new ATOM 0 HA PHE A 24 19.946 5.137 -11.212 1.00 0.00 H new ATOM 0 HB2 PHE A 24 19.096 7.522 -11.686 1.00 0.00 H new ATOM 0 HB3 PHE A 24 20.122 7.515 -13.107 1.00 0.00 H new ATOM 0 HD1 PHE A 24 17.252 5.800 -11.504 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.412 6.467 -15.115 1.00 0.00 H new ATOM 0 HE1 PHE A 24 15.452 4.722 -12.780 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.613 5.387 -16.391 1.00 0.00 H new ATOM 0 HZ PHE A 24 15.630 4.510 -15.225 1.00 0.00 H new ATOM 393 N TYR A 25 22.620 5.709 -12.955 1.00 0.00 N ATOM 394 CA TYR A 25 23.537 5.149 -13.944 1.00 0.00 C ATOM 395 C TYR A 25 24.201 3.874 -13.435 1.00 0.00 C ATOM 396 O TYR A 25 24.370 2.912 -14.188 1.00 0.00 O ATOM 397 CB TYR A 25 24.605 6.170 -14.330 1.00 0.00 C ATOM 398 CG TYR A 25 24.618 6.507 -15.805 1.00 0.00 C ATOM 399 CD1 TYR A 25 23.464 6.937 -16.448 1.00 0.00 C ATOM 400 CD2 TYR A 25 25.786 6.413 -16.549 1.00 0.00 C ATOM 401 CE1 TYR A 25 23.475 7.262 -17.791 1.00 0.00 C ATOM 402 CE2 TYR A 25 25.805 6.735 -17.893 1.00 0.00 C ATOM 403 CZ TYR A 25 24.647 7.159 -18.508 1.00 0.00 C ATOM 404 OH TYR A 25 24.663 7.490 -19.843 1.00 0.00 O ATOM 0 H TYR A 25 22.992 6.506 -12.439 1.00 0.00 H new ATOM 0 HA TYR A 25 22.948 4.898 -14.826 1.00 0.00 H new ATOM 0 HB2 TYR A 25 24.445 7.084 -13.759 1.00 0.00 H new ATOM 0 HB3 TYR A 25 25.584 5.784 -14.046 1.00 0.00 H new ATOM 0 HD1 TYR A 25 22.543 7.019 -15.889 1.00 0.00 H new ATOM 0 HD2 TYR A 25 26.696 6.083 -16.069 1.00 0.00 H new ATOM 0 HE1 TYR A 25 22.569 7.595 -18.276 1.00 0.00 H new ATOM 0 HE2 TYR A 25 26.722 6.655 -18.458 1.00 0.00 H new ATOM 0 HH TYR A 25 25.566 7.363 -20.201 1.00 0.00 H new ATOM 414 N GLY A 26 24.595 3.867 -12.169 1.00 0.00 N ATOM 415 CA GLY A 26 25.177 2.674 -11.593 1.00 0.00 C ATOM 416 C GLY A 26 26.683 2.763 -11.454 1.00 0.00 C ATOM 417 O GLY A 26 27.404 1.832 -11.813 1.00 0.00 O ATOM 0 H GLY A 26 24.522 4.662 -11.534 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.736 2.498 -10.612 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.924 1.815 -12.215 1.00 0.00 H new ATOM 421 N ASP A 27 27.164 3.891 -10.957 1.00 0.00 N ATOM 422 CA ASP A 27 28.577 4.026 -10.624 1.00 0.00 C ATOM 423 C ASP A 27 28.749 3.999 -9.109 1.00 0.00 C ATOM 424 O ASP A 27 28.917 2.933 -8.518 1.00 0.00 O ATOM 425 CB ASP A 27 29.162 5.317 -11.213 1.00 0.00 C ATOM 426 CG ASP A 27 30.625 5.518 -10.855 1.00 0.00 C ATOM 427 OD1 ASP A 27 31.486 4.824 -11.428 1.00 0.00 O ATOM 428 OD2 ASP A 27 30.921 6.381 -10.004 1.00 0.00 O ATOM 0 H ASP A 27 26.603 4.723 -10.775 1.00 0.00 H new ATOM 0 HA ASP A 27 29.121 3.189 -11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 27 29.058 5.296 -12.298 1.00 0.00 H new ATOM 0 HB3 ASP A 27 28.585 6.169 -10.854 1.00 0.00 H new ATOM 433 N GLU A 28 28.666 5.173 -8.496 1.00 0.00 N ATOM 434 CA GLU A 28 28.714 5.317 -7.048 1.00 0.00 C ATOM 435 C GLU A 28 28.671 6.795 -6.712 1.00 0.00 C ATOM 436 O GLU A 28 29.432 7.580 -7.272 1.00 0.00 O ATOM 437 CB GLU A 28 29.990 4.709 -6.458 1.00 0.00 C ATOM 438 CG GLU A 28 29.970 4.613 -4.945 1.00 0.00 C ATOM 439 CD GLU A 28 31.295 4.149 -4.376 1.00 0.00 C ATOM 440 OE1 GLU A 28 32.341 4.391 -5.017 1.00 0.00 O ATOM 441 OE2 GLU A 28 31.304 3.549 -3.281 1.00 0.00 O ATOM 0 H GLU A 28 28.563 6.057 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 28 27.862 4.788 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.135 3.713 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 28 30.845 5.311 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.719 5.587 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.185 3.922 -4.638 1.00 0.00 H new ATOM 448 N VAL A 29 27.781 7.179 -5.823 1.00 0.00 N ATOM 449 CA VAL A 29 27.683 8.567 -5.427 1.00 0.00 C ATOM 450 C VAL A 29 28.212 8.730 -4.014 1.00 0.00 C ATOM 451 O VAL A 29 27.978 7.886 -3.152 1.00 0.00 O ATOM 452 CB VAL A 29 26.234 9.090 -5.512 1.00 0.00 C ATOM 453 CG1 VAL A 29 26.182 10.589 -5.277 1.00 0.00 C ATOM 454 CG2 VAL A 29 25.617 8.743 -6.856 1.00 0.00 C ATOM 0 H VAL A 29 27.119 6.554 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 29 28.284 9.157 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 29 25.655 8.602 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 29 25.149 10.932 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 29 26.578 10.816 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 29 26.781 11.097 -6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 29 24.595 9.121 -6.896 1.00 0.00 H new ATOM 0 HG22 VAL A 29 26.203 9.198 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 29 25.609 7.661 -6.984 1.00 0.00 H new ATOM 464 N THR A 30 28.965 9.784 -3.794 1.00 0.00 N ATOM 465 CA THR A 30 29.516 10.056 -2.486 1.00 0.00 C ATOM 466 C THR A 30 29.092 11.445 -2.031 1.00 0.00 C ATOM 467 O THR A 30 28.704 12.272 -2.859 1.00 0.00 O ATOM 468 CB THR A 30 31.056 9.958 -2.510 1.00 0.00 C ATOM 469 OG1 THR A 30 31.591 10.946 -3.400 1.00 0.00 O ATOM 470 CG2 THR A 30 31.505 8.567 -2.960 1.00 0.00 C ATOM 0 H THR A 30 29.211 10.470 -4.508 1.00 0.00 H new ATOM 0 HA THR A 30 29.136 9.312 -1.786 1.00 0.00 H new ATOM 0 HB THR A 30 31.427 10.134 -1.500 1.00 0.00 H new ATOM 0 HG1 THR A 30 32.569 10.881 -3.411 1.00 0.00 H new ATOM 0 HG21 THR A 30 32.594 8.521 -2.969 1.00 0.00 H new ATOM 0 HG22 THR A 30 31.116 7.818 -2.270 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.125 8.369 -3.962 1.00 0.00 H new ATOM 478 N PRO A 31 29.156 11.728 -0.717 1.00 0.00 N ATOM 479 CA PRO A 31 28.795 13.043 -0.164 1.00 0.00 C ATOM 480 C PRO A 31 29.684 14.179 -0.680 1.00 0.00 C ATOM 481 O PRO A 31 29.547 15.326 -0.262 1.00 0.00 O ATOM 482 CB PRO A 31 28.989 12.870 1.348 1.00 0.00 C ATOM 483 CG PRO A 31 28.965 11.399 1.578 1.00 0.00 C ATOM 484 CD PRO A 31 29.546 10.780 0.341 1.00 0.00 C ATOM 0 HA PRO A 31 27.783 13.325 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 31 29.933 13.305 1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.197 13.369 1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 31 29.548 11.132 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.948 11.047 1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 31 30.629 10.677 0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.142 9.784 0.160 1.00 0.00 H new ATOM 492 N VAL A 32 30.603 13.854 -1.580 1.00 0.00 N ATOM 493 CA VAL A 32 31.482 14.849 -2.170 1.00 0.00 C ATOM 494 C VAL A 32 30.940 15.294 -3.528 1.00 0.00 C ATOM 495 O VAL A 32 31.327 16.339 -4.056 1.00 0.00 O ATOM 496 CB VAL A 32 32.916 14.296 -2.345 1.00 0.00 C ATOM 497 CG1 VAL A 32 33.893 15.412 -2.691 1.00 0.00 C ATOM 498 CG2 VAL A 32 33.365 13.554 -1.095 1.00 0.00 C ATOM 0 H VAL A 32 30.758 12.904 -1.917 1.00 0.00 H new ATOM 0 HA VAL A 32 31.519 15.703 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 32 32.905 13.589 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.894 14.996 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.586 15.888 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 32 33.899 16.151 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.376 13.174 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 32 33.353 14.235 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 32 32.688 12.721 -0.904 1.00 0.00 H new ATOM 508 N ASP A 33 30.027 14.507 -4.084 1.00 0.00 N ATOM 509 CA ASP A 33 29.490 14.784 -5.409 1.00 0.00 C ATOM 510 C ASP A 33 28.020 15.174 -5.326 1.00 0.00 C ATOM 511 O ASP A 33 27.269 14.628 -4.520 1.00 0.00 O ATOM 512 CB ASP A 33 29.673 13.571 -6.324 1.00 0.00 C ATOM 513 CG ASP A 33 29.392 13.902 -7.775 1.00 0.00 C ATOM 514 OD1 ASP A 33 29.977 14.882 -8.290 1.00 0.00 O ATOM 515 OD2 ASP A 33 28.613 13.180 -8.420 1.00 0.00 O ATOM 0 H ASP A 33 29.644 13.673 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 33 30.041 15.624 -5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 33 30.692 13.197 -6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 33 29.008 12.770 -6.000 1.00 0.00 H new ATOM 520 N ASP A 34 27.621 16.133 -6.154 1.00 0.00 N ATOM 521 CA ASP A 34 26.250 16.634 -6.149 1.00 0.00 C ATOM 522 C ASP A 34 25.331 15.695 -6.919 1.00 0.00 C ATOM 523 O ASP A 34 25.688 15.188 -7.987 1.00 0.00 O ATOM 524 CB ASP A 34 26.168 18.031 -6.777 1.00 0.00 C ATOM 525 CG ASP A 34 27.070 19.053 -6.113 1.00 0.00 C ATOM 526 OD1 ASP A 34 26.671 19.633 -5.079 1.00 0.00 O ATOM 527 OD2 ASP A 34 28.171 19.306 -6.641 1.00 0.00 O ATOM 0 H ASP A 34 28.229 16.581 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 34 25.930 16.690 -5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 34 26.429 17.961 -7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 34 25.137 18.382 -6.727 1.00 0.00 H new ATOM 532 N TYR A 35 24.144 15.473 -6.385 1.00 0.00 N ATOM 533 CA TYR A 35 23.140 14.670 -7.063 1.00 0.00 C ATOM 534 C TYR A 35 21.748 15.170 -6.704 1.00 0.00 C ATOM 535 O TYR A 35 21.603 16.076 -5.893 1.00 0.00 O ATOM 536 CB TYR A 35 23.296 13.182 -6.710 1.00 0.00 C ATOM 537 CG TYR A 35 23.119 12.852 -5.244 1.00 0.00 C ATOM 538 CD1 TYR A 35 24.140 13.079 -4.327 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.934 12.296 -4.779 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.984 12.764 -2.993 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.771 11.975 -3.447 1.00 0.00 C ATOM 542 CZ TYR A 35 22.798 12.211 -2.558 1.00 0.00 C ATOM 543 OH TYR A 35 22.638 11.893 -1.231 1.00 0.00 O ATOM 0 H TYR A 35 23.850 15.839 -5.480 1.00 0.00 H new ATOM 0 HA TYR A 35 23.281 14.770 -8.139 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.570 12.609 -7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.286 12.851 -7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.071 13.509 -4.665 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.126 12.112 -5.472 1.00 0.00 H new ATOM 0 HE1 TYR A 35 24.786 12.949 -2.294 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.844 11.541 -3.103 1.00 0.00 H new ATOM 0 HH TYR A 35 21.745 11.514 -1.091 1.00 0.00 H new ATOM 553 N VAL A 36 20.730 14.604 -7.323 1.00 0.00 N ATOM 554 CA VAL A 36 19.358 15.002 -7.039 1.00 0.00 C ATOM 555 C VAL A 36 18.481 13.771 -6.872 1.00 0.00 C ATOM 556 O VAL A 36 18.639 12.784 -7.594 1.00 0.00 O ATOM 557 CB VAL A 36 18.782 15.907 -8.159 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.334 16.282 -7.878 1.00 0.00 C ATOM 559 CG2 VAL A 36 19.625 17.162 -8.334 1.00 0.00 C ATOM 0 H VAL A 36 20.823 13.869 -8.024 1.00 0.00 H new ATOM 0 HA VAL A 36 19.365 15.575 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 36 18.813 15.336 -9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.960 16.916 -8.682 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.729 15.377 -7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.275 16.821 -6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.199 17.779 -9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 36 19.637 17.726 -7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 36 20.644 16.882 -8.601 1.00 0.00 H new ATOM 569 N ILE A 37 17.581 13.819 -5.903 1.00 0.00 N ATOM 570 CA ILE A 37 16.641 12.734 -5.692 1.00 0.00 C ATOM 571 C ILE A 37 15.269 13.112 -6.224 1.00 0.00 C ATOM 572 O ILE A 37 14.659 14.105 -5.787 1.00 0.00 O ATOM 573 CB ILE A 37 16.548 12.319 -4.204 1.00 0.00 C ATOM 574 CG1 ILE A 37 17.874 11.694 -3.756 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.394 11.349 -3.981 1.00 0.00 C ATOM 576 CD1 ILE A 37 17.820 11.058 -2.383 1.00 0.00 C ATOM 0 H ILE A 37 17.483 14.598 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 37 17.014 11.871 -6.244 1.00 0.00 H new ATOM 0 HB ILE A 37 16.356 13.209 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.173 10.939 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.646 12.463 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.350 11.072 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.457 11.825 -4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.548 10.455 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.796 10.638 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.553 11.812 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 37 17.072 10.265 -2.379 1.00 0.00 H new ATOM 588 N ASP A 38 14.798 12.320 -7.185 1.00 0.00 N ATOM 589 CA ASP A 38 13.506 12.568 -7.811 1.00 0.00 C ATOM 590 C ASP A 38 12.494 11.563 -7.292 1.00 0.00 C ATOM 591 O ASP A 38 12.378 10.448 -7.801 1.00 0.00 O ATOM 592 CB ASP A 38 13.600 12.493 -9.341 1.00 0.00 C ATOM 593 CG ASP A 38 12.311 12.911 -10.044 1.00 0.00 C ATOM 594 OD1 ASP A 38 12.154 14.114 -10.332 1.00 0.00 O ATOM 595 OD2 ASP A 38 11.459 12.040 -10.320 1.00 0.00 O ATOM 0 H ASP A 38 15.292 11.503 -7.545 1.00 0.00 H new ATOM 0 HA ASP A 38 13.184 13.577 -7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.415 13.132 -9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.852 11.474 -9.634 1.00 0.00 H new ATOM 600 N GLY A 39 11.837 11.928 -6.207 1.00 0.00 N ATOM 601 CA GLY A 39 10.772 11.100 -5.671 1.00 0.00 C ATOM 602 C GLY A 39 11.262 10.063 -4.683 1.00 0.00 C ATOM 603 O GLY A 39 10.631 9.832 -3.657 1.00 0.00 O ATOM 0 H GLY A 39 12.019 12.784 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.035 11.738 -5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.263 10.597 -6.493 1.00 0.00 H new ATOM 607 N GLY A 40 12.398 9.458 -4.975 1.00 0.00 N ATOM 608 CA GLY A 40 12.898 8.382 -4.147 1.00 0.00 C ATOM 609 C GLY A 40 14.133 7.750 -4.741 1.00 0.00 C ATOM 610 O GLY A 40 14.932 7.137 -4.033 1.00 0.00 O ATOM 0 H GLY A 40 12.987 9.693 -5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.127 8.764 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.123 7.625 -4.027 1.00 0.00 H new ATOM 614 N GLU A 41 14.283 7.882 -6.050 1.00 0.00 N ATOM 615 CA GLU A 41 15.487 7.424 -6.715 1.00 0.00 C ATOM 616 C GLU A 41 16.537 8.520 -6.758 1.00 0.00 C ATOM 617 O GLU A 41 16.243 9.698 -6.554 1.00 0.00 O ATOM 618 CB GLU A 41 15.191 6.912 -8.123 1.00 0.00 C ATOM 619 CG GLU A 41 14.902 5.421 -8.164 1.00 0.00 C ATOM 620 CD GLU A 41 16.000 4.610 -7.500 1.00 0.00 C ATOM 621 OE1 GLU A 41 17.185 4.797 -7.858 1.00 0.00 O ATOM 622 OE2 GLU A 41 15.686 3.802 -6.600 1.00 0.00 O ATOM 0 H GLU A 41 13.588 8.301 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 41 15.881 6.591 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.336 7.453 -8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.042 7.130 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.953 5.222 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.792 5.102 -9.200 1.00 0.00 H new ATOM 629 N ILE A 42 17.750 8.111 -7.055 1.00 0.00 N ATOM 630 CA ILE A 42 18.914 8.970 -6.974 1.00 0.00 C ATOM 631 C ILE A 42 19.522 9.142 -8.351 1.00 0.00 C ATOM 632 O ILE A 42 19.753 8.165 -9.051 1.00 0.00 O ATOM 633 CB ILE A 42 19.971 8.353 -6.034 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.394 8.197 -4.630 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.233 9.207 -6.008 1.00 0.00 C ATOM 636 CD1 ILE A 42 20.191 7.269 -3.743 1.00 0.00 C ATOM 0 H ILE A 42 17.960 7.162 -7.363 1.00 0.00 H new ATOM 0 HA ILE A 42 18.602 9.938 -6.582 1.00 0.00 H new ATOM 0 HB ILE A 42 20.241 7.367 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.340 9.178 -4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.373 7.824 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.965 8.754 -5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.650 9.271 -7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 42 20.988 10.208 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.719 7.209 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.224 6.276 -4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 42 21.206 7.652 -3.635 1.00 0.00 H new ATOM 648 N ILE A 43 19.763 10.376 -8.749 1.00 0.00 N ATOM 649 CA ILE A 43 20.375 10.627 -10.038 1.00 0.00 C ATOM 650 C ILE A 43 21.549 11.584 -9.885 1.00 0.00 C ATOM 651 O ILE A 43 21.402 12.682 -9.343 1.00 0.00 O ATOM 652 CB ILE A 43 19.377 11.206 -11.071 1.00 0.00 C ATOM 653 CG1 ILE A 43 18.044 10.448 -11.056 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.980 11.148 -12.465 1.00 0.00 C ATOM 655 CD1 ILE A 43 17.066 10.934 -10.004 1.00 0.00 C ATOM 0 H ILE A 43 19.547 11.212 -8.205 1.00 0.00 H new ATOM 0 HA ILE A 43 20.719 9.663 -10.414 1.00 0.00 H new ATOM 0 HB ILE A 43 19.180 12.242 -10.796 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.578 10.535 -12.037 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.243 9.389 -10.890 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.271 11.557 -13.185 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.900 11.733 -12.488 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.202 10.112 -12.723 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.150 10.346 -10.060 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.510 10.821 -9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.835 11.985 -10.180 1.00 0.00 H new ATOM 667 N LEU A 44 22.716 11.146 -10.340 1.00 0.00 N ATOM 668 CA LEU A 44 23.914 11.967 -10.323 1.00 0.00 C ATOM 669 C LEU A 44 23.668 13.217 -11.166 1.00 0.00 C ATOM 670 O LEU A 44 23.024 13.135 -12.207 1.00 0.00 O ATOM 671 CB LEU A 44 25.084 11.140 -10.875 1.00 0.00 C ATOM 672 CG LEU A 44 26.485 11.549 -10.416 1.00 0.00 C ATOM 673 CD1 LEU A 44 27.462 10.410 -10.654 1.00 0.00 C ATOM 674 CD2 LEU A 44 26.956 12.794 -11.147 1.00 0.00 C ATOM 0 H LEU A 44 22.856 10.214 -10.730 1.00 0.00 H new ATOM 0 HA LEU A 44 24.160 12.281 -9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 44 24.925 10.098 -10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 44 25.053 11.190 -11.963 1.00 0.00 H new ATOM 0 HG LEU A 44 26.442 11.773 -9.350 1.00 0.00 H new ATOM 0 HD11 LEU A 44 28.457 10.709 -10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 44 27.142 9.533 -10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 44 27.489 10.170 -11.717 1.00 0.00 H new ATOM 0 HD21 LEU A 44 27.954 13.063 -10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 44 26.983 12.598 -12.219 1.00 0.00 H new ATOM 0 HD23 LEU A 44 26.269 13.616 -10.946 1.00 0.00 H new ATOM 686 N ARG A 45 24.176 14.365 -10.716 1.00 0.00 N ATOM 687 CA ARG A 45 23.907 15.650 -11.372 1.00 0.00 C ATOM 688 C ARG A 45 24.307 15.662 -12.851 1.00 0.00 C ATOM 689 O ARG A 45 23.850 16.511 -13.611 1.00 0.00 O ATOM 690 CB ARG A 45 24.624 16.777 -10.628 1.00 0.00 C ATOM 691 CG ARG A 45 23.690 17.658 -9.816 1.00 0.00 C ATOM 692 CD ARG A 45 22.859 18.562 -10.713 1.00 0.00 C ATOM 693 NE ARG A 45 23.686 19.525 -11.441 1.00 0.00 N ATOM 694 CZ ARG A 45 23.270 20.734 -11.819 1.00 0.00 C ATOM 695 NH1 ARG A 45 22.017 21.111 -11.592 1.00 0.00 N ATOM 696 NH2 ARG A 45 24.100 21.552 -12.450 1.00 0.00 N ATOM 0 H ARG A 45 24.779 14.433 -9.896 1.00 0.00 H new ATOM 0 HA ARG A 45 22.829 15.804 -11.335 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.372 16.344 -9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 45 25.158 17.395 -11.349 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.030 17.033 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.272 18.266 -9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.301 17.953 -11.424 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.127 19.097 -10.109 1.00 0.00 H new ATOM 0 HE ARG A 45 24.641 19.254 -11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.369 20.475 -11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.702 22.037 -11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 45 25.056 21.257 -12.646 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.782 22.477 -12.740 1.00 0.00 H new ATOM 710 N GLU A 46 25.128 14.706 -13.257 1.00 0.00 N ATOM 711 CA GLU A 46 25.576 14.620 -14.641 1.00 0.00 C ATOM 712 C GLU A 46 24.471 14.025 -15.512 1.00 0.00 C ATOM 713 O GLU A 46 24.301 14.394 -16.673 1.00 0.00 O ATOM 714 CB GLU A 46 26.841 13.757 -14.733 1.00 0.00 C ATOM 715 CG GLU A 46 27.454 13.701 -16.124 1.00 0.00 C ATOM 716 CD GLU A 46 28.094 15.010 -16.540 1.00 0.00 C ATOM 717 OE1 GLU A 46 27.376 16.027 -16.643 1.00 0.00 O ATOM 718 OE2 GLU A 46 29.319 15.025 -16.780 1.00 0.00 O ATOM 0 H GLU A 46 25.499 13.977 -12.648 1.00 0.00 H new ATOM 0 HA GLU A 46 25.808 15.623 -15.000 1.00 0.00 H new ATOM 0 HB2 GLU A 46 27.584 14.144 -14.036 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.601 12.743 -14.412 1.00 0.00 H new ATOM 0 HG2 GLU A 46 28.204 12.910 -16.153 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.682 13.435 -16.845 1.00 0.00 H new ATOM 725 N ASN A 47 23.707 13.120 -14.918 1.00 0.00 N ATOM 726 CA ASN A 47 22.664 12.388 -15.628 1.00 0.00 C ATOM 727 C ASN A 47 21.295 12.931 -15.244 1.00 0.00 C ATOM 728 O ASN A 47 20.267 12.550 -15.807 1.00 0.00 O ATOM 729 CB ASN A 47 22.752 10.901 -15.267 1.00 0.00 C ATOM 730 CG ASN A 47 24.138 10.329 -15.500 1.00 0.00 C ATOM 731 OD1 ASN A 47 24.811 10.670 -16.472 1.00 0.00 O ATOM 732 ND2 ASN A 47 24.587 9.475 -14.591 1.00 0.00 N ATOM 0 H ASN A 47 23.791 12.871 -13.932 1.00 0.00 H new ATOM 0 HA ASN A 47 22.804 12.511 -16.702 1.00 0.00 H new ATOM 0 HB2 ASN A 47 22.478 10.767 -14.220 1.00 0.00 H new ATOM 0 HB3 ASN A 47 22.027 10.343 -15.860 1.00 0.00 H new ATOM 0 HD21 ASN A 47 25.521 9.076 -14.684 1.00 0.00 H new ATOM 0 HD22 ASN A 47 23.998 9.217 -13.799 1.00 0.00 H new ATOM 739 N LEU A 48 21.304 13.844 -14.284 1.00 0.00 N ATOM 740 CA LEU A 48 20.087 14.376 -13.692 1.00 0.00 C ATOM 741 C LEU A 48 19.302 15.196 -14.712 1.00 0.00 C ATOM 742 O LEU A 48 18.076 15.299 -14.631 1.00 0.00 O ATOM 743 CB LEU A 48 20.464 15.210 -12.455 1.00 0.00 C ATOM 744 CG LEU A 48 19.317 15.660 -11.544 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.708 16.961 -12.040 1.00 0.00 C ATOM 746 CD2 LEU A 48 18.253 14.578 -11.429 1.00 0.00 C ATOM 0 H LEU A 48 22.160 14.238 -13.893 1.00 0.00 H new ATOM 0 HA LEU A 48 19.437 13.558 -13.381 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.165 14.629 -11.855 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.996 16.099 -12.795 1.00 0.00 H new ATOM 0 HG LEU A 48 19.730 15.835 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.896 17.259 -11.376 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.471 17.739 -12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.319 16.819 -13.048 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.451 14.924 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.848 14.359 -12.417 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.697 13.675 -11.011 1.00 0.00 H new ATOM 758 N GLU A 49 20.010 15.738 -15.695 1.00 0.00 N ATOM 759 CA GLU A 49 19.388 16.564 -16.718 1.00 0.00 C ATOM 760 C GLU A 49 18.326 15.780 -17.483 1.00 0.00 C ATOM 761 O GLU A 49 17.340 16.347 -17.947 1.00 0.00 O ATOM 762 CB GLU A 49 20.453 17.133 -17.673 1.00 0.00 C ATOM 763 CG GLU A 49 21.257 16.089 -18.450 1.00 0.00 C ATOM 764 CD GLU A 49 20.508 15.521 -19.644 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.863 16.302 -20.373 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.562 14.294 -19.861 1.00 0.00 O ATOM 0 H GLU A 49 21.017 15.619 -15.804 1.00 0.00 H new ATOM 0 HA GLU A 49 18.891 17.400 -16.227 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.962 17.794 -18.387 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.146 17.745 -17.096 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.188 16.540 -18.795 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.527 15.274 -17.778 1.00 0.00 H new ATOM 773 N ARG A 50 18.521 14.469 -17.596 1.00 0.00 N ATOM 774 CA ARG A 50 17.588 13.637 -18.331 1.00 0.00 C ATOM 775 C ARG A 50 16.404 13.266 -17.459 1.00 0.00 C ATOM 776 O ARG A 50 15.279 13.146 -17.944 1.00 0.00 O ATOM 777 CB ARG A 50 18.255 12.367 -18.854 1.00 0.00 C ATOM 778 CG ARG A 50 17.328 11.555 -19.740 1.00 0.00 C ATOM 779 CD ARG A 50 18.003 10.330 -20.325 1.00 0.00 C ATOM 780 NE ARG A 50 17.127 9.683 -21.292 1.00 0.00 N ATOM 781 CZ ARG A 50 17.324 8.476 -21.810 1.00 0.00 C ATOM 782 NH1 ARG A 50 18.369 7.746 -21.439 1.00 0.00 N ATOM 783 NH2 ARG A 50 16.454 7.994 -22.692 1.00 0.00 N ATOM 0 H ARG A 50 19.311 13.968 -17.190 1.00 0.00 H new ATOM 0 HA ARG A 50 17.242 14.218 -19.186 1.00 0.00 H new ATOM 0 HB2 ARG A 50 19.150 12.634 -19.416 1.00 0.00 H new ATOM 0 HB3 ARG A 50 18.578 11.755 -18.012 1.00 0.00 H new ATOM 0 HG2 ARG A 50 16.459 11.244 -19.161 1.00 0.00 H new ATOM 0 HG3 ARG A 50 16.962 12.185 -20.551 1.00 0.00 H new ATOM 0 HD2 ARG A 50 18.938 10.617 -20.806 1.00 0.00 H new ATOM 0 HD3 ARG A 50 18.256 9.630 -19.528 1.00 0.00 H new ATOM 0 HE ARG A 50 16.299 10.196 -21.595 1.00 0.00 H new ATOM 0 HH11 ARG A 50 19.028 8.111 -20.751 1.00 0.00 H new ATOM 0 HH12 ARG A 50 18.513 6.820 -21.842 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.644 8.550 -22.965 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.597 7.068 -23.095 1.00 0.00 H new ATOM 797 N TYR A 51 16.649 13.095 -16.171 1.00 0.00 N ATOM 798 CA TYR A 51 15.594 12.687 -15.264 1.00 0.00 C ATOM 799 C TYR A 51 14.583 13.813 -15.093 1.00 0.00 C ATOM 800 O TYR A 51 13.386 13.570 -14.997 1.00 0.00 O ATOM 801 CB TYR A 51 16.169 12.261 -13.917 1.00 0.00 C ATOM 802 CG TYR A 51 15.466 11.060 -13.327 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.827 9.772 -13.703 1.00 0.00 C ATOM 804 CD2 TYR A 51 14.443 11.209 -12.403 1.00 0.00 C ATOM 805 CE1 TYR A 51 15.192 8.668 -13.168 1.00 0.00 C ATOM 806 CE2 TYR A 51 13.803 10.109 -11.863 1.00 0.00 C ATOM 807 CZ TYR A 51 14.179 8.842 -12.251 1.00 0.00 C ATOM 808 OH TYR A 51 13.545 7.745 -11.715 1.00 0.00 O ATOM 0 H TYR A 51 17.561 13.231 -15.734 1.00 0.00 H new ATOM 0 HA TYR A 51 15.082 11.826 -15.694 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.228 12.033 -14.036 1.00 0.00 H new ATOM 0 HB3 TYR A 51 16.100 13.095 -13.219 1.00 0.00 H new ATOM 0 HD1 TYR A 51 16.617 9.632 -14.426 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.141 12.201 -12.100 1.00 0.00 H new ATOM 0 HE1 TYR A 51 15.488 7.673 -13.467 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.012 10.243 -11.140 1.00 0.00 H new ATOM 0 HH TYR A 51 12.856 8.041 -11.084 1.00 0.00 H new ATOM 818 N LEU A 52 15.061 15.050 -15.081 1.00 0.00 N ATOM 819 CA LEU A 52 14.160 16.197 -15.052 1.00 0.00 C ATOM 820 C LEU A 52 13.525 16.399 -16.423 1.00 0.00 C ATOM 821 O LEU A 52 12.371 16.807 -16.532 1.00 0.00 O ATOM 822 CB LEU A 52 14.896 17.473 -14.633 1.00 0.00 C ATOM 823 CG LEU A 52 15.456 17.475 -13.212 1.00 0.00 C ATOM 824 CD1 LEU A 52 15.921 18.872 -12.834 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.420 16.969 -12.221 1.00 0.00 C ATOM 0 H LEU A 52 16.054 15.285 -15.091 1.00 0.00 H new ATOM 0 HA LEU A 52 13.383 15.992 -14.316 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.718 17.642 -15.329 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.213 18.316 -14.736 1.00 0.00 H new ATOM 0 HG LEU A 52 16.312 16.801 -13.178 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.318 18.861 -11.819 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.700 19.196 -13.525 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.079 19.562 -12.887 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.842 16.980 -11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.541 17.613 -12.252 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.133 15.951 -12.483 1.00 0.00 H new ATOM 837 N ARG A 53 14.294 16.108 -17.463 1.00 0.00 N ATOM 838 CA ARG A 53 13.812 16.205 -18.832 1.00 0.00 C ATOM 839 C ARG A 53 12.614 15.285 -19.062 1.00 0.00 C ATOM 840 O ARG A 53 11.553 15.735 -19.492 1.00 0.00 O ATOM 841 CB ARG A 53 14.954 15.880 -19.810 1.00 0.00 C ATOM 842 CG ARG A 53 14.501 15.479 -21.207 1.00 0.00 C ATOM 843 CD ARG A 53 15.646 15.515 -22.214 1.00 0.00 C ATOM 844 NE ARG A 53 16.869 14.866 -21.726 1.00 0.00 N ATOM 845 CZ ARG A 53 17.639 14.072 -22.473 1.00 0.00 C ATOM 846 NH1 ARG A 53 17.246 13.708 -23.686 1.00 0.00 N ATOM 847 NH2 ARG A 53 18.806 13.638 -22.008 1.00 0.00 N ATOM 0 H ARG A 53 15.263 15.800 -17.382 1.00 0.00 H new ATOM 0 HA ARG A 53 13.476 17.226 -19.012 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.604 16.751 -19.890 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.554 15.072 -19.391 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.077 14.475 -21.176 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.708 16.150 -21.537 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.326 15.027 -23.135 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.868 16.552 -22.464 1.00 0.00 H new ATOM 0 HE ARG A 53 17.147 15.032 -20.759 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.352 14.035 -24.052 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.838 13.101 -24.253 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.117 13.912 -21.076 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.390 13.031 -22.583 1.00 0.00 H new ATOM 861 N GLU A 54 12.781 14.005 -18.777 1.00 0.00 N ATOM 862 CA GLU A 54 11.750 13.023 -19.075 1.00 0.00 C ATOM 863 C GLU A 54 10.795 12.764 -17.910 1.00 0.00 C ATOM 864 O GLU A 54 9.595 12.612 -18.121 1.00 0.00 O ATOM 865 CB GLU A 54 12.382 11.721 -19.555 1.00 0.00 C ATOM 866 CG GLU A 54 13.047 11.853 -20.915 1.00 0.00 C ATOM 867 CD GLU A 54 13.616 10.551 -21.428 1.00 0.00 C ATOM 868 OE1 GLU A 54 12.905 9.526 -21.384 1.00 0.00 O ATOM 869 OE2 GLU A 54 14.774 10.546 -21.881 1.00 0.00 O ATOM 0 H GLU A 54 13.619 13.621 -18.340 1.00 0.00 H new ATOM 0 HA GLU A 54 11.141 13.449 -19.872 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.121 11.391 -18.825 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.616 10.947 -19.604 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.319 12.232 -21.633 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.846 12.591 -20.851 1.00 0.00 H new ATOM 876 N GLN A 55 11.302 12.719 -16.680 1.00 0.00 N ATOM 877 CA GLN A 55 10.466 12.331 -15.553 1.00 0.00 C ATOM 878 C GLN A 55 9.934 13.556 -14.814 1.00 0.00 C ATOM 879 O GLN A 55 8.740 13.859 -14.909 1.00 0.00 O ATOM 880 CB GLN A 55 11.274 11.434 -14.603 1.00 0.00 C ATOM 881 CG GLN A 55 10.557 11.052 -13.316 1.00 0.00 C ATOM 882 CD GLN A 55 9.319 10.210 -13.556 1.00 0.00 C ATOM 883 OE1 GLN A 55 9.217 9.505 -14.559 1.00 0.00 O ATOM 884 NE2 GLN A 55 8.379 10.257 -12.624 1.00 0.00 N ATOM 0 H GLN A 55 12.269 12.942 -16.443 1.00 0.00 H new ATOM 0 HA GLN A 55 9.606 11.776 -15.929 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.548 10.522 -15.133 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.202 11.945 -14.347 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.244 10.503 -12.673 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.275 11.959 -12.781 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.501 10.854 -11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.533 9.696 -12.724 1.00 0.00 H new ATOM 893 N LEU A 56 10.839 14.289 -14.146 1.00 0.00 N ATOM 894 CA LEU A 56 10.476 15.442 -13.303 1.00 0.00 C ATOM 895 C LEU A 56 9.186 15.145 -12.524 1.00 0.00 C ATOM 896 O LEU A 56 8.358 16.025 -12.285 1.00 0.00 O ATOM 897 CB LEU A 56 10.315 16.695 -14.181 1.00 0.00 C ATOM 898 CG LEU A 56 10.498 18.038 -13.464 1.00 0.00 C ATOM 899 CD1 LEU A 56 11.421 18.943 -14.261 1.00 0.00 C ATOM 900 CD2 LEU A 56 9.162 18.729 -13.250 1.00 0.00 C ATOM 0 H LEU A 56 11.841 14.101 -14.174 1.00 0.00 H new ATOM 0 HA LEU A 56 11.271 15.626 -12.580 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.035 16.639 -14.997 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.322 16.676 -14.630 1.00 0.00 H new ATOM 0 HG LEU A 56 10.945 17.838 -12.490 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.540 19.892 -13.738 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.394 18.464 -14.371 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.992 19.123 -15.247 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.321 19.679 -12.740 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.688 18.910 -14.214 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.517 18.094 -12.642 1.00 0.00 H new ATOM 912 N GLY A 57 9.023 13.890 -12.130 1.00 0.00 N ATOM 913 CA GLY A 57 7.728 13.443 -11.666 1.00 0.00 C ATOM 914 C GLY A 57 7.698 12.994 -10.227 1.00 0.00 C ATOM 915 O GLY A 57 6.624 12.938 -9.633 1.00 0.00 O ATOM 0 H GLY A 57 9.756 13.181 -12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.011 14.253 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.395 12.619 -12.297 1.00 0.00 H new ATOM 919 N PHE A 58 8.857 12.664 -9.662 1.00 0.00 N ATOM 920 CA PHE A 58 8.919 12.167 -8.290 1.00 0.00 C ATOM 921 C PHE A 58 8.062 10.915 -8.180 1.00 0.00 C ATOM 922 O PHE A 58 7.860 10.208 -9.172 1.00 0.00 O ATOM 923 CB PHE A 58 8.433 13.239 -7.304 1.00 0.00 C ATOM 924 CG PHE A 58 8.876 14.624 -7.667 1.00 0.00 C ATOM 925 CD1 PHE A 58 10.216 14.911 -7.854 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.945 15.632 -7.843 1.00 0.00 C ATOM 927 CE1 PHE A 58 10.619 16.182 -8.206 1.00 0.00 C ATOM 928 CE2 PHE A 58 8.341 16.903 -8.196 1.00 0.00 C ATOM 929 CZ PHE A 58 9.681 17.179 -8.377 1.00 0.00 C ATOM 0 H PHE A 58 9.761 12.731 -10.130 1.00 0.00 H new ATOM 0 HA PHE A 58 9.952 11.926 -8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.344 13.214 -7.258 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.800 12.998 -6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.953 14.133 -7.723 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.895 15.420 -7.702 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.668 16.397 -8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.605 17.682 -8.331 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.995 18.175 -8.652 1.00 0.00 H new ATOM 939 N GLU A 59 7.565 10.624 -6.997 1.00 0.00 N ATOM 940 CA GLU A 59 6.635 9.521 -6.851 1.00 0.00 C ATOM 941 C GLU A 59 5.230 10.047 -6.561 1.00 0.00 C ATOM 942 O GLU A 59 4.922 10.444 -5.436 1.00 0.00 O ATOM 943 CB GLU A 59 7.097 8.566 -5.749 1.00 0.00 C ATOM 944 CG GLU A 59 6.288 7.281 -5.679 1.00 0.00 C ATOM 945 CD GLU A 59 6.352 6.475 -6.964 1.00 0.00 C ATOM 946 OE1 GLU A 59 5.694 6.869 -7.951 1.00 0.00 O ATOM 947 OE2 GLU A 59 7.043 5.435 -6.992 1.00 0.00 O ATOM 0 H GLU A 59 7.783 11.125 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 59 6.607 8.965 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.146 8.317 -5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.036 9.077 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.655 6.671 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.248 7.523 -5.459 1.00 0.00 H new ATOM 954 N PHE A 60 4.386 10.056 -7.587 1.00 0.00 N ATOM 955 CA PHE A 60 2.998 10.481 -7.439 1.00 0.00 C ATOM 956 C PHE A 60 2.129 9.303 -7.048 1.00 0.00 C ATOM 957 O PHE A 60 2.065 8.305 -7.767 1.00 0.00 O ATOM 958 CB PHE A 60 2.458 11.090 -8.739 1.00 0.00 C ATOM 959 CG PHE A 60 2.844 12.524 -8.968 1.00 0.00 C ATOM 960 CD1 PHE A 60 2.463 13.507 -8.072 1.00 0.00 C ATOM 961 CD2 PHE A 60 3.576 12.889 -10.086 1.00 0.00 C ATOM 962 CE1 PHE A 60 2.806 14.829 -8.281 1.00 0.00 C ATOM 963 CE2 PHE A 60 3.921 14.212 -10.303 1.00 0.00 C ATOM 964 CZ PHE A 60 3.536 15.181 -9.399 1.00 0.00 C ATOM 0 H PHE A 60 4.640 9.773 -8.534 1.00 0.00 H new ATOM 0 HA PHE A 60 2.969 11.241 -6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.814 10.493 -9.579 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.370 11.017 -8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.890 13.237 -7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.881 12.134 -10.795 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.504 15.585 -7.572 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.491 14.485 -11.179 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.805 16.213 -9.566 1.00 0.00 H new ATOM 974 N LYS A 61 1.463 9.409 -5.912 1.00 0.00 N ATOM 975 CA LYS A 61 0.581 8.348 -5.467 1.00 0.00 C ATOM 976 C LYS A 61 -0.848 8.850 -5.317 1.00 0.00 C ATOM 977 O LYS A 61 -1.092 10.016 -5.003 1.00 0.00 O ATOM 978 CB LYS A 61 1.077 7.747 -4.152 1.00 0.00 C ATOM 979 CG LYS A 61 2.385 6.980 -4.283 1.00 0.00 C ATOM 980 CD LYS A 61 2.219 5.738 -5.144 1.00 0.00 C ATOM 981 CE LYS A 61 3.518 4.957 -5.245 1.00 0.00 C ATOM 982 NZ LYS A 61 3.363 3.722 -6.056 1.00 0.00 N ATOM 0 H LYS A 61 1.516 10.213 -5.286 1.00 0.00 H new ATOM 0 HA LYS A 61 0.588 7.568 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.207 8.547 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.312 7.078 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.145 7.628 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.740 6.693 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.442 5.101 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.887 6.026 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.287 5.589 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.861 4.693 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.272 3.219 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.648 3.107 -5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.060 3.974 -7.018 1.00 0.00 H new ATOM 996 N ASN A 62 -1.783 7.959 -5.567 1.00 0.00 N ATOM 997 CA ASN A 62 -3.197 8.250 -5.429 1.00 0.00 C ATOM 998 C ASN A 62 -3.875 7.087 -4.739 1.00 0.00 C ATOM 999 O ASN A 62 -3.449 5.940 -4.896 1.00 0.00 O ATOM 1000 CB ASN A 62 -3.841 8.488 -6.800 1.00 0.00 C ATOM 1001 CG ASN A 62 -3.750 9.929 -7.266 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -3.528 10.200 -8.445 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -3.972 10.863 -6.358 1.00 0.00 N ATOM 0 H ASN A 62 -1.584 7.007 -5.873 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.316 9.156 -4.835 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.359 7.845 -7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.890 8.193 -6.757 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.963 11.847 -6.626 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.153 10.600 -5.389 1.00 0.00 H new ATOM 1010 N ALA A 63 -4.912 7.374 -3.969 1.00 0.00 N ATOM 1011 CA ALA A 63 -5.682 6.323 -3.330 1.00 0.00 C ATOM 1012 C ALA A 63 -6.562 5.638 -4.367 1.00 0.00 C ATOM 1013 O ALA A 63 -7.763 5.896 -4.458 1.00 0.00 O ATOM 1014 CB ALA A 63 -6.514 6.876 -2.182 1.00 0.00 C ATOM 0 H ALA A 63 -5.237 8.321 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.997 5.588 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.081 6.067 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.855 7.327 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.202 7.631 -2.562 1.00 0.00 H new ATOM 1477 N ASP B 19 2.727 -0.698 5.580 1.00 0.00 N ATOM 1478 CA ASP B 19 3.358 0.588 5.351 1.00 0.00 C ATOM 1479 C ASP B 19 2.597 1.668 6.095 1.00 0.00 C ATOM 1480 O ASP B 19 1.631 2.234 5.585 1.00 0.00 O ATOM 1481 CB ASP B 19 3.407 0.919 3.856 1.00 0.00 C ATOM 1482 CG ASP B 19 4.220 -0.083 3.061 1.00 0.00 C ATOM 1483 OD1 ASP B 19 3.654 -1.112 2.640 1.00 0.00 O ATOM 1484 OD2 ASP B 19 5.428 0.158 2.843 1.00 0.00 O ATOM 0 HA ASP B 19 4.382 0.541 5.721 1.00 0.00 H new ATOM 0 HB2 ASP B 19 2.391 0.951 3.462 1.00 0.00 H new ATOM 0 HB3 ASP B 19 3.832 1.914 3.722 1.00 0.00 H new ATOM 1489 N VAL B 20 3.006 1.908 7.325 1.00 0.00 N ATOM 1490 CA VAL B 20 2.385 2.927 8.146 1.00 0.00 C ATOM 1491 C VAL B 20 3.285 4.148 8.184 1.00 0.00 C ATOM 1492 O VAL B 20 4.255 4.202 8.940 1.00 0.00 O ATOM 1493 CB VAL B 20 2.111 2.422 9.578 1.00 0.00 C ATOM 1494 CG1 VAL B 20 1.292 3.440 10.362 1.00 0.00 C ATOM 1495 CG2 VAL B 20 1.409 1.070 9.536 1.00 0.00 C ATOM 0 H VAL B 20 3.770 1.408 7.779 1.00 0.00 H new ATOM 0 HA VAL B 20 1.422 3.185 7.705 1.00 0.00 H new ATOM 0 HB VAL B 20 3.065 2.296 10.091 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.111 3.063 11.369 1.00 0.00 H new ATOM 0 HG12 VAL B 20 1.840 4.381 10.420 1.00 0.00 H new ATOM 0 HG13 VAL B 20 0.339 3.605 9.859 1.00 0.00 H new ATOM 0 HG21 VAL B 20 1.222 0.725 10.553 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.462 1.168 9.006 1.00 0.00 H new ATOM 0 HG23 VAL B 20 2.041 0.348 9.019 1.00 0.00 H new ATOM 1505 N GLN B 21 2.971 5.113 7.340 1.00 0.00 N ATOM 1506 CA GLN B 21 3.843 6.249 7.120 1.00 0.00 C ATOM 1507 C GLN B 21 3.192 7.551 7.561 1.00 0.00 C ATOM 1508 O GLN B 21 1.966 7.689 7.557 1.00 0.00 O ATOM 1509 CB GLN B 21 4.213 6.328 5.639 1.00 0.00 C ATOM 1510 CG GLN B 21 3.005 6.260 4.720 1.00 0.00 C ATOM 1511 CD GLN B 21 3.372 6.307 3.254 1.00 0.00 C ATOM 1512 OE1 GLN B 21 4.443 5.858 2.848 1.00 0.00 O ATOM 1513 NE2 GLN B 21 2.475 6.845 2.448 1.00 0.00 N ATOM 0 H GLN B 21 2.111 5.131 6.792 1.00 0.00 H new ATOM 0 HA GLN B 21 4.741 6.108 7.721 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.751 7.258 5.454 1.00 0.00 H new ATOM 0 HB3 GLN B 21 4.893 5.512 5.396 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.454 5.341 4.921 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.336 7.090 4.948 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.599 7.205 2.827 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.658 6.900 1.446 1.00 0.00 H new ATOM 1522 N ILE B 22 4.028 8.493 7.944 1.00 0.00 N ATOM 1523 CA ILE B 22 3.587 9.834 8.281 1.00 0.00 C ATOM 1524 C ILE B 22 4.260 10.832 7.346 1.00 0.00 C ATOM 1525 O ILE B 22 5.393 10.610 6.912 1.00 0.00 O ATOM 1526 CB ILE B 22 3.911 10.180 9.757 1.00 0.00 C ATOM 1527 CG1 ILE B 22 3.014 9.378 10.704 1.00 0.00 C ATOM 1528 CG2 ILE B 22 3.761 11.668 10.020 1.00 0.00 C ATOM 1529 CD1 ILE B 22 3.133 9.810 12.150 1.00 0.00 C ATOM 0 H ILE B 22 5.034 8.352 8.031 1.00 0.00 H new ATOM 0 HA ILE B 22 2.505 9.886 8.160 1.00 0.00 H new ATOM 0 HB ILE B 22 4.950 9.909 9.944 1.00 0.00 H new ATOM 0 HG12 ILE B 22 1.977 9.481 10.385 1.00 0.00 H new ATOM 0 HG13 ILE B 22 3.268 8.321 10.626 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.995 11.878 11.064 1.00 0.00 H new ATOM 0 HG22 ILE B 22 4.444 12.222 9.376 1.00 0.00 H new ATOM 0 HG23 ILE B 22 2.736 11.973 9.809 1.00 0.00 H new ATOM 0 HD11 ILE B 22 2.472 9.202 12.767 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.162 9.681 12.485 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.851 10.859 12.241 1.00 0.00 H new ATOM 1541 N ASP B 23 3.557 11.909 7.010 1.00 0.00 N ATOM 1542 CA ASP B 23 4.105 12.930 6.133 1.00 0.00 C ATOM 1543 C ASP B 23 5.210 13.732 6.838 1.00 0.00 C ATOM 1544 O ASP B 23 5.617 13.417 7.959 1.00 0.00 O ATOM 1545 CB ASP B 23 2.990 13.875 5.667 1.00 0.00 C ATOM 1546 CG ASP B 23 2.724 15.004 6.643 1.00 0.00 C ATOM 1547 OD1 ASP B 23 2.358 14.726 7.801 1.00 0.00 O ATOM 1548 OD2 ASP B 23 2.897 16.174 6.252 1.00 0.00 O ATOM 0 H ASP B 23 2.607 12.094 7.333 1.00 0.00 H new ATOM 0 HA ASP B 23 4.544 12.433 5.268 1.00 0.00 H new ATOM 0 HB2 ASP B 23 3.259 14.296 4.698 1.00 0.00 H new ATOM 0 HB3 ASP B 23 2.073 13.303 5.523 1.00 0.00 H new ATOM 1553 N PHE B 24 5.681 14.770 6.164 1.00 0.00 N ATOM 1554 CA PHE B 24 6.742 15.630 6.670 1.00 0.00 C ATOM 1555 C PHE B 24 6.298 16.397 7.920 1.00 0.00 C ATOM 1556 O PHE B 24 7.116 16.698 8.794 1.00 0.00 O ATOM 1557 CB PHE B 24 7.159 16.602 5.558 1.00 0.00 C ATOM 1558 CG PHE B 24 8.246 17.566 5.941 1.00 0.00 C ATOM 1559 CD1 PHE B 24 9.566 17.151 6.014 1.00 0.00 C ATOM 1560 CD2 PHE B 24 7.946 18.889 6.224 1.00 0.00 C ATOM 1561 CE1 PHE B 24 10.567 18.038 6.362 1.00 0.00 C ATOM 1562 CE2 PHE B 24 8.943 19.781 6.571 1.00 0.00 C ATOM 1563 CZ PHE B 24 10.254 19.355 6.640 1.00 0.00 C ATOM 0 H PHE B 24 5.336 15.042 5.244 1.00 0.00 H new ATOM 0 HA PHE B 24 7.591 15.012 6.961 1.00 0.00 H new ATOM 0 HB2 PHE B 24 7.492 16.025 4.695 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.283 17.170 5.243 1.00 0.00 H new ATOM 0 HD1 PHE B 24 9.815 16.123 5.797 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.921 19.227 6.173 1.00 0.00 H new ATOM 0 HE1 PHE B 24 11.592 17.703 6.417 1.00 0.00 H new ATOM 0 HE2 PHE B 24 8.697 20.810 6.788 1.00 0.00 H new ATOM 0 HZ PHE B 24 11.035 20.050 6.911 1.00 0.00 H new ATOM 1573 N TYR B 25 5.010 16.703 8.013 1.00 0.00 N ATOM 1574 CA TYR B 25 4.503 17.528 9.102 1.00 0.00 C ATOM 1575 C TYR B 25 4.134 16.703 10.337 1.00 0.00 C ATOM 1576 O TYR B 25 4.463 17.094 11.458 1.00 0.00 O ATOM 1577 CB TYR B 25 3.312 18.363 8.628 1.00 0.00 C ATOM 1578 CG TYR B 25 3.694 19.434 7.627 1.00 0.00 C ATOM 1579 CD1 TYR B 25 3.751 19.156 6.265 1.00 0.00 C ATOM 1580 CD2 TYR B 25 4.010 20.721 8.045 1.00 0.00 C ATOM 1581 CE1 TYR B 25 4.108 20.130 5.352 1.00 0.00 C ATOM 1582 CE2 TYR B 25 4.366 21.700 7.137 1.00 0.00 C ATOM 1583 CZ TYR B 25 4.416 21.398 5.793 1.00 0.00 C ATOM 1584 OH TYR B 25 4.771 22.370 4.886 1.00 0.00 O ATOM 0 H TYR B 25 4.300 16.393 7.350 1.00 0.00 H new ATOM 0 HA TYR B 25 5.308 18.199 9.402 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.570 17.703 8.179 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.840 18.833 9.491 1.00 0.00 H new ATOM 0 HD1 TYR B 25 3.512 18.162 5.915 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.977 20.960 9.098 1.00 0.00 H new ATOM 0 HE1 TYR B 25 4.145 19.898 4.298 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.604 22.697 7.479 1.00 0.00 H new ATOM 0 HH TYR B 25 4.956 23.208 5.360 1.00 0.00 H new ATOM 1594 N GLY B 26 3.462 15.572 10.152 1.00 0.00 N ATOM 1595 CA GLY B 26 3.136 14.734 11.289 1.00 0.00 C ATOM 1596 C GLY B 26 1.722 14.187 11.251 1.00 0.00 C ATOM 1597 O GLY B 26 1.127 13.925 12.297 1.00 0.00 O ATOM 0 H GLY B 26 3.141 15.225 9.248 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.838 13.901 11.330 1.00 0.00 H new ATOM 0 HA3 GLY B 26 3.270 15.310 12.205 1.00 0.00 H new ATOM 1601 N ASP B 27 1.182 13.999 10.058 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.151 13.430 9.903 1.00 0.00 C ATOM 1603 C ASP B 27 -0.051 12.077 9.205 1.00 0.00 C ATOM 1604 O ASP B 27 0.733 11.918 8.264 1.00 0.00 O ATOM 1605 CB ASP B 27 -1.042 14.391 9.108 1.00 0.00 C ATOM 1606 CG ASP B 27 -2.507 13.995 9.121 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -3.005 13.568 10.185 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -3.182 14.152 8.081 1.00 0.00 O ATOM 0 H ASP B 27 1.646 14.232 9.180 1.00 0.00 H new ATOM 0 HA ASP B 27 -0.601 13.283 10.885 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -0.940 15.395 9.519 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -0.692 14.432 8.076 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.817 11.098 9.683 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.776 9.749 9.124 1.00 0.00 C ATOM 1615 C GLU B 28 -1.182 9.734 7.663 1.00 0.00 C ATOM 1616 O GLU B 28 -2.195 10.318 7.274 1.00 0.00 O ATOM 1617 CB GLU B 28 -1.683 8.787 9.895 1.00 0.00 C ATOM 1618 CG GLU B 28 -1.093 8.296 11.201 1.00 0.00 C ATOM 1619 CD GLU B 28 -1.942 7.224 11.851 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -3.061 7.533 12.309 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -1.488 6.065 11.919 1.00 0.00 O ATOM 0 H GLU B 28 -1.473 11.214 10.456 1.00 0.00 H new ATOM 0 HA GLU B 28 0.258 9.417 9.214 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -2.631 9.284 10.101 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.905 7.927 9.262 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.093 7.903 11.020 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.986 9.136 11.887 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.381 9.057 6.864 1.00 0.00 N ATOM 1629 CA VAL B 29 -0.695 8.854 5.469 1.00 0.00 C ATOM 1630 C VAL B 29 -1.008 7.386 5.235 1.00 0.00 C ATOM 1631 O VAL B 29 -0.102 6.570 5.060 1.00 0.00 O ATOM 1632 CB VAL B 29 0.464 9.271 4.546 1.00 0.00 C ATOM 1633 CG1 VAL B 29 0.004 9.273 3.102 1.00 0.00 C ATOM 1634 CG2 VAL B 29 1.014 10.629 4.942 1.00 0.00 C ATOM 0 H VAL B 29 0.499 8.636 7.163 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.556 9.479 5.230 1.00 0.00 H new ATOM 0 HB VAL B 29 1.270 8.545 4.653 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.831 9.569 2.457 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.332 8.273 2.826 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.819 9.978 2.983 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.832 10.899 4.274 1.00 0.00 H new ATOM 0 HG22 VAL B 29 0.224 11.377 4.870 1.00 0.00 H new ATOM 0 HG23 VAL B 29 1.382 10.588 5.967 1.00 0.00 H new ATOM 1644 N THR B 30 -2.281 7.044 5.267 1.00 0.00 N ATOM 1645 CA THR B 30 -2.684 5.662 5.096 1.00 0.00 C ATOM 1646 C THR B 30 -2.847 5.347 3.609 1.00 0.00 C ATOM 1647 O THR B 30 -2.911 6.260 2.788 1.00 0.00 O ATOM 1648 CB THR B 30 -3.993 5.362 5.862 1.00 0.00 C ATOM 1649 OG1 THR B 30 -5.104 6.031 5.249 1.00 0.00 O ATOM 1650 CG2 THR B 30 -3.875 5.792 7.320 1.00 0.00 C ATOM 0 H THR B 30 -3.050 7.699 5.409 1.00 0.00 H new ATOM 0 HA THR B 30 -1.904 5.023 5.511 1.00 0.00 H new ATOM 0 HB THR B 30 -4.164 4.286 5.824 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.808 6.891 4.885 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.807 5.572 7.841 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.057 5.249 7.794 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.676 6.863 7.369 1.00 0.00 H new ATOM 1658 N PRO B 31 -2.904 4.055 3.231 1.00 0.00 N ATOM 1659 CA PRO B 31 -3.058 3.652 1.822 1.00 0.00 C ATOM 1660 C PRO B 31 -4.404 4.072 1.230 1.00 0.00 C ATOM 1661 O PRO B 31 -4.664 3.868 0.046 1.00 0.00 O ATOM 1662 CB PRO B 31 -2.943 2.125 1.869 1.00 0.00 C ATOM 1663 CG PRO B 31 -3.284 1.755 3.271 1.00 0.00 C ATOM 1664 CD PRO B 31 -2.803 2.889 4.128 1.00 0.00 C ATOM 0 HA PRO B 31 -2.313 4.129 1.185 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -3.625 1.656 1.160 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -1.937 1.797 1.608 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -4.358 1.608 3.385 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -2.802 0.820 3.556 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -3.420 3.011 5.018 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -1.780 2.730 4.469 1.00 0.00 H new ATOM 1672 N VAL B 32 -5.255 4.655 2.062 1.00 0.00 N ATOM 1673 CA VAL B 32 -6.548 5.147 1.615 1.00 0.00 C ATOM 1674 C VAL B 32 -6.485 6.667 1.429 1.00 0.00 C ATOM 1675 O VAL B 32 -7.469 7.308 1.059 1.00 0.00 O ATOM 1676 CB VAL B 32 -7.665 4.778 2.625 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -9.047 4.983 2.018 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -7.503 3.344 3.111 1.00 0.00 C ATOM 0 H VAL B 32 -5.071 4.799 3.055 1.00 0.00 H new ATOM 0 HA VAL B 32 -6.787 4.674 0.662 1.00 0.00 H new ATOM 0 HB VAL B 32 -7.571 5.445 3.482 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -9.809 4.716 2.750 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -9.168 6.028 1.733 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -9.154 4.352 1.136 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -8.298 3.108 3.819 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -7.559 2.663 2.261 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -6.536 3.233 3.601 1.00 0.00 H new ATOM 1688 N ASP B 33 -5.309 7.234 1.671 1.00 0.00 N ATOM 1689 CA ASP B 33 -5.100 8.671 1.526 1.00 0.00 C ATOM 1690 C ASP B 33 -4.162 8.949 0.363 1.00 0.00 C ATOM 1691 O ASP B 33 -3.198 8.216 0.142 1.00 0.00 O ATOM 1692 CB ASP B 33 -4.511 9.286 2.804 1.00 0.00 C ATOM 1693 CG ASP B 33 -5.441 9.195 3.996 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -6.565 9.744 3.929 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -5.053 8.570 5.008 1.00 0.00 O ATOM 0 H ASP B 33 -4.481 6.718 1.970 1.00 0.00 H new ATOM 0 HA ASP B 33 -6.072 9.126 1.337 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -3.575 8.782 3.043 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -4.271 10.333 2.618 1.00 0.00 H new ATOM 1700 N ASP B 34 -4.450 10.004 -0.383 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.602 10.403 -1.496 1.00 0.00 C ATOM 1702 C ASP B 34 -2.372 11.130 -0.980 1.00 0.00 C ATOM 1703 O ASP B 34 -2.473 11.993 -0.105 1.00 0.00 O ATOM 1704 CB ASP B 34 -4.358 11.312 -2.466 1.00 0.00 C ATOM 1705 CG ASP B 34 -5.587 10.655 -3.055 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -6.668 10.748 -2.449 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -5.471 10.048 -4.141 1.00 0.00 O ATOM 0 H ASP B 34 -5.265 10.600 -0.238 1.00 0.00 H new ATOM 0 HA ASP B 34 -3.300 9.501 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.654 12.223 -1.946 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.689 11.609 -3.274 1.00 0.00 H new ATOM 1712 N TYR B 35 -1.213 10.795 -1.523 1.00 0.00 N ATOM 1713 CA TYR B 35 0.034 11.401 -1.082 1.00 0.00 C ATOM 1714 C TYR B 35 1.053 11.410 -2.209 1.00 0.00 C ATOM 1715 O TYR B 35 0.907 10.699 -3.197 1.00 0.00 O ATOM 1716 CB TYR B 35 0.605 10.641 0.117 1.00 0.00 C ATOM 1717 CG TYR B 35 1.075 9.238 -0.210 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.172 8.186 -0.318 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.423 8.968 -0.405 1.00 0.00 C ATOM 1720 CE1 TYR B 35 0.600 6.908 -0.617 1.00 0.00 C ATOM 1721 CE2 TYR B 35 2.859 7.696 -0.706 1.00 0.00 C ATOM 1722 CZ TYR B 35 1.946 6.667 -0.807 1.00 0.00 C ATOM 1723 OH TYR B 35 2.377 5.395 -1.108 1.00 0.00 O ATOM 0 H TYR B 35 -1.109 10.107 -2.269 1.00 0.00 H new ATOM 0 HA TYR B 35 -0.177 12.429 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.441 11.207 0.528 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -0.156 10.586 0.895 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.881 8.372 -0.166 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.142 9.769 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -0.114 6.102 -0.702 1.00 0.00 H new ATOM 0 HE2 TYR B 35 3.911 7.506 -0.862 1.00 0.00 H new ATOM 0 HH TYR B 35 3.352 5.396 -1.212 1.00 0.00 H new ATOM 1733 N VAL B 36 2.076 12.225 -2.057 1.00 0.00 N ATOM 1734 CA VAL B 36 3.186 12.246 -2.992 1.00 0.00 C ATOM 1735 C VAL B 36 4.486 12.118 -2.215 1.00 0.00 C ATOM 1736 O VAL B 36 4.587 12.595 -1.080 1.00 0.00 O ATOM 1737 CB VAL B 36 3.199 13.542 -3.840 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.390 13.580 -4.789 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.905 13.683 -4.621 1.00 0.00 C ATOM 0 H VAL B 36 2.163 12.889 -1.287 1.00 0.00 H new ATOM 0 HA VAL B 36 3.074 11.409 -3.681 1.00 0.00 H new ATOM 0 HB VAL B 36 3.291 14.382 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL B 36 4.365 14.504 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.315 13.536 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.343 12.727 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.934 14.600 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.786 12.828 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL B 36 1.064 13.723 -3.928 1.00 0.00 H new ATOM 1749 N ILE B 37 5.450 11.426 -2.792 1.00 0.00 N ATOM 1750 CA ILE B 37 6.754 11.310 -2.178 1.00 0.00 C ATOM 1751 C ILE B 37 7.749 12.160 -2.950 1.00 0.00 C ATOM 1752 O ILE B 37 8.233 11.777 -4.025 1.00 0.00 O ATOM 1753 CB ILE B 37 7.230 9.844 -2.082 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.169 8.995 -1.372 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.552 9.768 -1.334 1.00 0.00 C ATOM 1756 CD1 ILE B 37 6.564 7.546 -1.175 1.00 0.00 C ATOM 0 H ILE B 37 5.353 10.938 -3.682 1.00 0.00 H new ATOM 0 HA ILE B 37 6.682 11.674 -1.153 1.00 0.00 H new ATOM 0 HB ILE B 37 7.378 9.454 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE B 37 5.957 9.438 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.244 9.033 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE B 37 8.876 8.729 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.304 10.353 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.424 10.168 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE B 37 5.759 7.015 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE B 37 6.747 7.084 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE B 37 7.471 7.495 -0.572 1.00 0.00 H new ATOM 1768 N ASP B 38 8.020 13.335 -2.401 1.00 0.00 N ATOM 1769 CA ASP B 38 8.872 14.318 -3.043 1.00 0.00 C ATOM 1770 C ASP B 38 10.304 14.172 -2.568 1.00 0.00 C ATOM 1771 O ASP B 38 10.700 14.737 -1.552 1.00 0.00 O ATOM 1772 CB ASP B 38 8.369 15.736 -2.762 1.00 0.00 C ATOM 1773 CG ASP B 38 6.978 15.976 -3.308 1.00 0.00 C ATOM 1774 OD1 ASP B 38 6.005 15.590 -2.632 1.00 0.00 O ATOM 1775 OD2 ASP B 38 6.859 16.560 -4.407 1.00 0.00 O ATOM 0 H ASP B 38 7.653 13.632 -1.496 1.00 0.00 H new ATOM 0 HA ASP B 38 8.839 14.143 -4.118 1.00 0.00 H new ATOM 0 HB2 ASP B 38 8.369 15.912 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.058 16.457 -3.202 1.00 0.00 H new ATOM 1780 N GLY B 39 11.057 13.355 -3.281 1.00 0.00 N ATOM 1781 CA GLY B 39 12.465 13.187 -2.984 1.00 0.00 C ATOM 1782 C GLY B 39 12.697 12.349 -1.745 1.00 0.00 C ATOM 1783 O GLY B 39 13.726 12.468 -1.090 1.00 0.00 O ATOM 0 H GLY B 39 10.718 12.800 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY B 39 12.960 12.718 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY B 39 12.924 14.166 -2.848 1.00 0.00 H new ATOM 1787 N GLY B 40 11.742 11.493 -1.426 1.00 0.00 N ATOM 1788 CA GLY B 40 11.863 10.667 -0.244 1.00 0.00 C ATOM 1789 C GLY B 40 11.052 11.211 0.911 1.00 0.00 C ATOM 1790 O GLY B 40 10.858 10.532 1.921 1.00 0.00 O ATOM 0 H GLY B 40 10.886 11.354 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY B 40 11.533 9.654 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY B 40 12.911 10.602 0.048 1.00 0.00 H new ATOM 1794 N GLU B 41 10.583 12.441 0.770 1.00 0.00 N ATOM 1795 CA GLU B 41 9.746 13.057 1.785 1.00 0.00 C ATOM 1796 C GLU B 41 8.281 12.834 1.442 1.00 0.00 C ATOM 1797 O GLU B 41 7.872 13.009 0.300 1.00 0.00 O ATOM 1798 CB GLU B 41 10.061 14.549 1.901 1.00 0.00 C ATOM 1799 CG GLU B 41 11.541 14.822 2.114 1.00 0.00 C ATOM 1800 CD GLU B 41 11.848 16.279 2.377 1.00 0.00 C ATOM 1801 OE1 GLU B 41 11.705 17.104 1.451 1.00 0.00 O ATOM 1802 OE2 GLU B 41 12.269 16.603 3.510 1.00 0.00 O ATOM 0 H GLU B 41 10.769 13.033 -0.040 1.00 0.00 H new ATOM 0 HA GLU B 41 9.952 12.596 2.751 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.729 15.058 0.996 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.495 14.972 2.731 1.00 0.00 H new ATOM 0 HG2 GLU B 41 11.896 14.225 2.954 1.00 0.00 H new ATOM 0 HG3 GLU B 41 12.094 14.494 1.234 1.00 0.00 H new ATOM 1809 N ILE B 42 7.506 12.420 2.429 1.00 0.00 N ATOM 1810 CA ILE B 42 6.105 12.090 2.215 1.00 0.00 C ATOM 1811 C ILE B 42 5.219 13.280 2.553 1.00 0.00 C ATOM 1812 O ILE B 42 5.380 13.893 3.603 1.00 0.00 O ATOM 1813 CB ILE B 42 5.682 10.887 3.087 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.612 9.702 2.834 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.235 10.502 2.802 1.00 0.00 C ATOM 1816 CD1 ILE B 42 6.379 8.534 3.769 1.00 0.00 C ATOM 0 H ILE B 42 7.824 12.303 3.391 1.00 0.00 H new ATOM 0 HA ILE B 42 5.985 11.831 1.163 1.00 0.00 H new ATOM 0 HB ILE B 42 5.758 11.173 4.136 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.483 9.364 1.806 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.645 10.035 2.933 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.955 9.653 3.425 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.583 11.347 3.025 1.00 0.00 H new ATOM 0 HG23 ILE B 42 4.131 10.231 1.751 1.00 0.00 H new ATOM 0 HD11 ILE B 42 7.076 7.731 3.529 1.00 0.00 H new ATOM 0 HD12 ILE B 42 6.536 8.855 4.799 1.00 0.00 H new ATOM 0 HD13 ILE B 42 5.357 8.174 3.654 1.00 0.00 H new ATOM 1828 N ILE B 43 4.310 13.627 1.653 1.00 0.00 N ATOM 1829 CA ILE B 43 3.338 14.674 1.925 1.00 0.00 C ATOM 1830 C ILE B 43 1.965 14.253 1.406 1.00 0.00 C ATOM 1831 O ILE B 43 1.835 13.859 0.244 1.00 0.00 O ATOM 1832 CB ILE B 43 3.715 16.034 1.274 1.00 0.00 C ATOM 1833 CG1 ILE B 43 5.167 16.432 1.574 1.00 0.00 C ATOM 1834 CG2 ILE B 43 2.778 17.127 1.764 1.00 0.00 C ATOM 1835 CD1 ILE B 43 6.180 15.834 0.620 1.00 0.00 C ATOM 0 H ILE B 43 4.226 13.200 0.731 1.00 0.00 H new ATOM 0 HA ILE B 43 3.325 14.812 3.006 1.00 0.00 H new ATOM 0 HB ILE B 43 3.615 15.915 0.195 1.00 0.00 H new ATOM 0 HG12 ILE B 43 5.249 17.518 1.541 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.415 16.125 2.590 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.052 18.075 1.301 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.752 16.875 1.495 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.858 17.216 2.847 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.181 16.163 0.899 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.128 14.746 0.669 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.961 16.162 -0.396 1.00 0.00 H new ATOM 1847 N LEU B 44 0.952 14.288 2.272 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.424 14.072 1.824 1.00 0.00 C ATOM 1849 C LEU B 44 -0.765 15.054 0.713 1.00 0.00 C ATOM 1850 O LEU B 44 -0.356 16.213 0.761 1.00 0.00 O ATOM 1851 CB LEU B 44 -1.436 14.255 2.959 1.00 0.00 C ATOM 1852 CG LEU B 44 -1.314 13.280 4.127 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -0.413 13.844 5.211 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -2.685 12.945 4.688 1.00 0.00 C ATOM 0 H LEU B 44 1.055 14.461 3.272 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.487 13.044 1.467 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.338 15.269 3.346 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -2.439 14.168 2.542 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.861 12.360 3.757 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -0.342 13.131 6.032 1.00 0.00 H new ATOM 0 HD12 LEU B 44 0.580 14.025 4.801 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -0.830 14.781 5.579 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.578 12.249 5.520 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.168 13.857 5.038 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.295 12.488 3.909 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.538 14.613 -0.267 1.00 0.00 N ATOM 1867 CA ARG B 45 -1.886 15.462 -1.404 1.00 0.00 C ATOM 1868 C ARG B 45 -2.841 16.581 -0.998 1.00 0.00 C ATOM 1869 O ARG B 45 -3.224 17.411 -1.823 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.440 14.638 -2.568 1.00 0.00 C ATOM 1871 CG ARG B 45 -1.342 13.916 -3.334 1.00 0.00 C ATOM 1872 CD ARG B 45 -1.848 13.210 -4.582 1.00 0.00 C ATOM 1873 NE ARG B 45 -2.651 14.084 -5.435 1.00 0.00 N ATOM 1874 CZ ARG B 45 -2.593 14.094 -6.765 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -1.738 13.301 -7.404 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -3.397 14.896 -7.447 1.00 0.00 N ATOM 0 H ARG B 45 -1.937 13.675 -0.301 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.968 15.935 -1.751 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.155 13.909 -2.187 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -2.985 15.293 -3.248 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.573 14.634 -3.617 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.870 13.185 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.998 12.833 -5.152 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -2.444 12.346 -4.290 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.298 14.729 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -1.124 12.682 -6.875 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -1.697 13.312 -8.423 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.054 15.500 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -3.359 14.910 -8.466 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.208 16.613 0.278 1.00 0.00 N ATOM 1891 CA GLU B 46 -3.979 17.721 0.828 1.00 0.00 C ATOM 1892 C GLU B 46 -3.059 18.869 1.242 1.00 0.00 C ATOM 1893 O GLU B 46 -3.509 19.992 1.454 1.00 0.00 O ATOM 1894 CB GLU B 46 -4.807 17.253 2.027 1.00 0.00 C ATOM 1895 CG GLU B 46 -6.033 16.449 1.636 1.00 0.00 C ATOM 1896 CD GLU B 46 -7.021 17.275 0.840 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -7.844 17.981 1.457 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -6.972 17.235 -0.408 1.00 0.00 O ATOM 0 H GLU B 46 -2.983 15.882 0.953 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.655 18.082 0.052 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.178 16.648 2.680 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -5.121 18.123 2.604 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -5.727 15.584 1.048 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.519 16.068 2.534 1.00 0.00 H new ATOM 1905 N ASN B 47 -1.772 18.573 1.359 1.00 0.00 N ATOM 1906 CA ASN B 47 -0.778 19.574 1.743 1.00 0.00 C ATOM 1907 C ASN B 47 0.313 19.642 0.670 1.00 0.00 C ATOM 1908 O ASN B 47 1.212 20.480 0.710 1.00 0.00 O ATOM 1909 CB ASN B 47 -0.171 19.199 3.104 1.00 0.00 C ATOM 1910 CG ASN B 47 0.465 20.371 3.837 1.00 0.00 C ATOM 1911 OD1 ASN B 47 0.488 20.298 5.161 1.00 0.00 O flip ATOM 1912 ND2 ASN B 47 0.933 21.332 3.230 1.00 0.00 N flip ATOM 0 H ASN B 47 -1.387 17.643 1.193 1.00 0.00 H new ATOM 0 HA ASN B 47 -1.251 20.552 1.829 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -0.951 18.769 3.733 1.00 0.00 H new ATOM 0 HB3 ASN B 47 0.581 18.424 2.955 1.00 0.00 H new ATOM 0 HD21 ASN B 47 0.899 21.357 2.211 1.00 0.00 H new ATOM 0 HD22 ASN B 47 1.355 22.104 3.745 1.00 0.00 H new ATOM 1919 N LEU B 48 0.197 18.754 -0.305 1.00 0.00 N ATOM 1920 CA LEU B 48 1.197 18.611 -1.355 1.00 0.00 C ATOM 1921 C LEU B 48 1.261 19.867 -2.224 1.00 0.00 C ATOM 1922 O LEU B 48 2.335 20.273 -2.660 1.00 0.00 O ATOM 1923 CB LEU B 48 0.868 17.358 -2.185 1.00 0.00 C ATOM 1924 CG LEU B 48 1.916 16.903 -3.205 1.00 0.00 C ATOM 1925 CD1 LEU B 48 1.733 17.623 -4.527 1.00 0.00 C ATOM 1926 CD2 LEU B 48 3.322 17.126 -2.668 1.00 0.00 C ATOM 0 H LEU B 48 -0.591 18.112 -0.392 1.00 0.00 H new ATOM 0 HA LEU B 48 2.184 18.490 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.686 16.533 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.066 17.540 -2.717 1.00 0.00 H new ATOM 0 HG LEU B 48 1.778 15.835 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU B 48 2.489 17.283 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU B 48 0.741 17.408 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.837 18.697 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU B 48 4.051 16.796 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU B 48 3.469 18.186 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU B 48 3.455 16.556 -1.749 1.00 0.00 H new ATOM 1938 N GLU B 49 0.109 20.496 -2.443 1.00 0.00 N ATOM 1939 CA GLU B 49 0.034 21.708 -3.252 1.00 0.00 C ATOM 1940 C GLU B 49 0.957 22.780 -2.664 1.00 0.00 C ATOM 1941 O GLU B 49 1.862 23.283 -3.338 1.00 0.00 O ATOM 1942 CB GLU B 49 -1.419 22.206 -3.301 1.00 0.00 C ATOM 1943 CG GLU B 49 -1.756 23.089 -4.498 1.00 0.00 C ATOM 1944 CD GLU B 49 -1.054 24.432 -4.479 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -1.409 25.283 -3.637 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -0.158 24.650 -5.322 1.00 0.00 O ATOM 0 H GLU B 49 -0.788 20.185 -2.070 1.00 0.00 H new ATOM 0 HA GLU B 49 0.361 21.491 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.084 21.342 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -1.628 22.763 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -1.489 22.562 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -2.833 23.252 -4.527 1.00 0.00 H new ATOM 1953 N ARG B 50 0.742 23.092 -1.392 1.00 0.00 N ATOM 1954 CA ARG B 50 1.550 24.083 -0.695 1.00 0.00 C ATOM 1955 C ARG B 50 3.022 23.666 -0.660 1.00 0.00 C ATOM 1956 O ARG B 50 3.917 24.504 -0.790 1.00 0.00 O ATOM 1957 CB ARG B 50 1.022 24.291 0.729 1.00 0.00 C ATOM 1958 CG ARG B 50 1.826 25.295 1.542 1.00 0.00 C ATOM 1959 CD ARG B 50 1.729 26.701 0.968 1.00 0.00 C ATOM 1960 NE ARG B 50 2.796 27.557 1.479 1.00 0.00 N ATOM 1961 CZ ARG B 50 2.662 28.849 1.773 1.00 0.00 C ATOM 1962 NH1 ARG B 50 1.492 29.460 1.630 1.00 0.00 N ATOM 1963 NH2 ARG B 50 3.705 29.537 2.215 1.00 0.00 N ATOM 0 H ARG B 50 0.010 22.670 -0.820 1.00 0.00 H new ATOM 0 HA ARG B 50 1.478 25.024 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -0.014 24.626 0.677 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.021 23.333 1.250 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.468 25.298 2.571 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.871 24.986 1.569 1.00 0.00 H new ATOM 0 HD2 ARG B 50 1.785 26.657 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.761 27.133 1.220 1.00 0.00 H new ATOM 0 HE ARG B 50 3.713 27.134 1.621 1.00 0.00 H new ATOM 0 HH11 ARG B 50 0.683 28.939 1.292 1.00 0.00 H new ATOM 0 HH12 ARG B 50 1.402 30.450 1.859 1.00 0.00 H new ATOM 0 HH21 ARG B 50 4.608 29.077 2.329 1.00 0.00 H new ATOM 0 HH22 ARG B 50 3.605 30.527 2.441 1.00 0.00 H new ATOM 1977 N TYR B 51 3.269 22.368 -0.520 1.00 0.00 N ATOM 1978 CA TYR B 51 4.632 21.864 -0.432 1.00 0.00 C ATOM 1979 C TYR B 51 5.366 22.058 -1.759 1.00 0.00 C ATOM 1980 O TYR B 51 6.573 22.303 -1.782 1.00 0.00 O ATOM 1981 CB TYR B 51 4.643 20.388 -0.028 1.00 0.00 C ATOM 1982 CG TYR B 51 5.945 19.949 0.606 1.00 0.00 C ATOM 1983 CD1 TYR B 51 6.207 20.234 1.940 1.00 0.00 C ATOM 1984 CD2 TYR B 51 6.903 19.247 -0.116 1.00 0.00 C ATOM 1985 CE1 TYR B 51 7.387 19.836 2.536 1.00 0.00 C ATOM 1986 CE2 TYR B 51 8.088 18.846 0.474 1.00 0.00 C ATOM 1987 CZ TYR B 51 8.324 19.143 1.801 1.00 0.00 C ATOM 1988 OH TYR B 51 9.496 18.737 2.400 1.00 0.00 O ATOM 0 H TYR B 51 2.546 21.650 -0.465 1.00 0.00 H new ATOM 0 HA TYR B 51 5.152 22.434 0.338 1.00 0.00 H new ATOM 0 HB2 TYR B 51 3.827 20.204 0.671 1.00 0.00 H new ATOM 0 HB3 TYR B 51 4.452 19.776 -0.910 1.00 0.00 H new ATOM 0 HD1 TYR B 51 5.475 20.776 2.521 1.00 0.00 H new ATOM 0 HD2 TYR B 51 6.719 19.011 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR B 51 7.575 20.067 3.574 1.00 0.00 H new ATOM 0 HE2 TYR B 51 8.824 18.304 -0.100 1.00 0.00 H new ATOM 0 HH TYR B 51 10.003 18.173 1.779 1.00 0.00 H new ATOM 1998 N LEU B 52 4.636 21.957 -2.866 1.00 0.00 N ATOM 1999 CA LEU B 52 5.212 22.229 -4.178 1.00 0.00 C ATOM 2000 C LEU B 52 5.511 23.715 -4.326 1.00 0.00 C ATOM 2001 O LEU B 52 6.423 24.109 -5.045 1.00 0.00 O ATOM 2002 CB LEU B 52 4.270 21.792 -5.302 1.00 0.00 C ATOM 2003 CG LEU B 52 3.947 20.300 -5.362 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.096 20.001 -6.584 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.220 19.469 -5.378 1.00 0.00 C ATOM 0 H LEU B 52 3.651 21.691 -2.881 1.00 0.00 H new ATOM 0 HA LEU B 52 6.137 21.657 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.335 22.342 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.711 22.087 -6.254 1.00 0.00 H new ATOM 0 HG LEU B 52 3.384 20.031 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU B 52 2.871 18.935 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.166 20.567 -6.527 1.00 0.00 H new ATOM 0 HD13 LEU B 52 3.640 20.286 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU B 52 4.963 18.411 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU B 52 5.816 19.733 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.795 19.666 -4.473 1.00 0.00 H new ATOM 2017 N ARG B 53 4.737 24.537 -3.643 1.00 0.00 N ATOM 2018 CA ARG B 53 4.965 25.974 -3.659 1.00 0.00 C ATOM 2019 C ARG B 53 6.217 26.325 -2.857 1.00 0.00 C ATOM 2020 O ARG B 53 6.839 27.360 -3.084 1.00 0.00 O ATOM 2021 CB ARG B 53 3.744 26.710 -3.106 1.00 0.00 C ATOM 2022 CG ARG B 53 2.474 26.398 -3.875 1.00 0.00 C ATOM 2023 CD ARG B 53 1.254 27.054 -3.256 1.00 0.00 C ATOM 2024 NE ARG B 53 1.327 28.512 -3.298 1.00 0.00 N ATOM 2025 CZ ARG B 53 0.516 29.277 -4.025 1.00 0.00 C ATOM 2026 NH1 ARG B 53 -0.424 28.730 -4.788 1.00 0.00 N ATOM 2027 NH2 ARG B 53 0.647 30.595 -3.993 1.00 0.00 N ATOM 0 H ARG B 53 3.947 24.238 -3.071 1.00 0.00 H new ATOM 0 HA ARG B 53 5.121 26.292 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG B 53 3.606 26.440 -2.059 1.00 0.00 H new ATOM 0 HB3 ARG B 53 3.928 27.784 -3.136 1.00 0.00 H new ATOM 0 HG2 ARG B 53 2.583 26.736 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG B 53 2.327 25.318 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG B 53 0.359 26.722 -3.783 1.00 0.00 H new ATOM 0 HD3 ARG B 53 1.154 26.727 -2.221 1.00 0.00 H new ATOM 0 HE ARG B 53 2.043 28.972 -2.736 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -0.529 27.716 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -1.041 29.324 -5.342 1.00 0.00 H new ATOM 0 HH21 ARG B 53 1.368 31.022 -3.412 1.00 0.00 H new ATOM 0 HH22 ARG B 53 0.026 31.183 -4.549 1.00 0.00 H new ATOM 2041 N GLU B 54 6.574 25.455 -1.920 1.00 0.00 N ATOM 2042 CA GLU B 54 7.770 25.646 -1.107 1.00 0.00 C ATOM 2043 C GLU B 54 8.980 24.961 -1.756 1.00 0.00 C ATOM 2044 O GLU B 54 9.912 25.626 -2.211 1.00 0.00 O ATOM 2045 CB GLU B 54 7.529 25.085 0.301 1.00 0.00 C ATOM 2046 CG GLU B 54 8.325 25.768 1.409 1.00 0.00 C ATOM 2047 CD GLU B 54 9.811 25.476 1.357 1.00 0.00 C ATOM 2048 OE1 GLU B 54 10.243 24.454 1.932 1.00 0.00 O ATOM 2049 OE2 GLU B 54 10.553 26.276 0.753 1.00 0.00 O ATOM 0 H GLU B 54 6.050 24.607 -1.703 1.00 0.00 H new ATOM 0 HA GLU B 54 7.983 26.713 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU B 54 6.467 25.168 0.532 1.00 0.00 H new ATOM 0 HB3 GLU B 54 7.773 24.023 0.300 1.00 0.00 H new ATOM 0 HG2 GLU B 54 8.172 26.845 1.343 1.00 0.00 H new ATOM 0 HG3 GLU B 54 7.934 25.449 2.375 1.00 0.00 H new ATOM 2056 N GLN B 55 8.942 23.633 -1.816 1.00 0.00 N ATOM 2057 CA GLN B 55 10.077 22.847 -2.299 1.00 0.00 C ATOM 2058 C GLN B 55 9.903 22.447 -3.764 1.00 0.00 C ATOM 2059 O GLN B 55 10.880 22.354 -4.507 1.00 0.00 O ATOM 2060 CB GLN B 55 10.251 21.602 -1.421 1.00 0.00 C ATOM 2061 CG GLN B 55 11.311 20.636 -1.925 1.00 0.00 C ATOM 2062 CD GLN B 55 11.738 19.635 -0.868 1.00 0.00 C ATOM 2063 OE1 GLN B 55 12.647 19.903 -0.088 1.00 0.00 O ATOM 2064 NE2 GLN B 55 11.097 18.476 -0.837 1.00 0.00 N ATOM 0 H GLN B 55 8.135 23.075 -1.535 1.00 0.00 H new ATOM 0 HA GLN B 55 10.972 23.465 -2.235 1.00 0.00 H new ATOM 0 HB2 GLN B 55 10.511 21.916 -0.410 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.297 21.078 -1.357 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.926 20.100 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN B 55 12.182 21.200 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN B 55 10.346 18.290 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN B 55 11.354 17.769 -0.148 1.00 0.00 H new ATOM 2073 N LEU B 56 8.654 22.197 -4.152 1.00 0.00 N ATOM 2074 CA LEU B 56 8.291 21.822 -5.527 1.00 0.00 C ATOM 2075 C LEU B 56 8.630 20.356 -5.811 1.00 0.00 C ATOM 2076 O LEU B 56 8.429 19.867 -6.921 1.00 0.00 O ATOM 2077 CB LEU B 56 8.943 22.758 -6.562 1.00 0.00 C ATOM 2078 CG LEU B 56 8.411 22.631 -7.995 1.00 0.00 C ATOM 2079 CD1 LEU B 56 6.904 22.833 -8.034 1.00 0.00 C ATOM 2080 CD2 LEU B 56 9.100 23.633 -8.906 1.00 0.00 C ATOM 0 H LEU B 56 7.855 22.248 -3.520 1.00 0.00 H new ATOM 0 HA LEU B 56 7.211 21.937 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.806 23.788 -6.232 1.00 0.00 H new ATOM 0 HB3 LEU B 56 10.016 22.567 -6.573 1.00 0.00 H new ATOM 0 HG LEU B 56 8.630 21.624 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU B 56 6.551 22.738 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.420 22.080 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU B 56 6.660 23.826 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU B 56 8.712 23.530 -9.919 1.00 0.00 H new ATOM 0 HD22 LEU B 56 8.910 24.644 -8.545 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.174 23.445 -8.908 1.00 0.00 H new ATOM 2092 N GLY B 57 9.141 19.663 -4.799 1.00 0.00 N ATOM 2093 CA GLY B 57 9.296 18.222 -4.897 1.00 0.00 C ATOM 2094 C GLY B 57 10.728 17.765 -5.067 1.00 0.00 C ATOM 2095 O GLY B 57 11.108 16.694 -4.591 1.00 0.00 O ATOM 0 H GLY B 57 9.450 20.070 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY B 57 8.883 17.761 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY B 57 8.708 17.861 -5.741 1.00 0.00 H new ATOM 2099 N PHE B 58 11.527 18.566 -5.747 1.00 0.00 N ATOM 2100 CA PHE B 58 12.901 18.185 -6.061 1.00 0.00 C ATOM 2101 C PHE B 58 13.766 18.198 -4.808 1.00 0.00 C ATOM 2102 O PHE B 58 13.855 19.224 -4.134 1.00 0.00 O ATOM 2103 CB PHE B 58 13.514 19.155 -7.074 1.00 0.00 C ATOM 2104 CG PHE B 58 12.666 19.421 -8.284 1.00 0.00 C ATOM 2105 CD1 PHE B 58 12.762 18.617 -9.407 1.00 0.00 C ATOM 2106 CD2 PHE B 58 11.779 20.484 -8.299 1.00 0.00 C ATOM 2107 CE1 PHE B 58 11.986 18.869 -10.520 1.00 0.00 C ATOM 2108 CE2 PHE B 58 11.003 20.739 -9.409 1.00 0.00 C ATOM 2109 CZ PHE B 58 11.105 19.932 -10.520 1.00 0.00 C ATOM 0 H PHE B 58 11.253 19.485 -6.095 1.00 0.00 H new ATOM 0 HA PHE B 58 12.870 17.179 -6.480 1.00 0.00 H new ATOM 0 HB2 PHE B 58 13.715 20.102 -6.573 1.00 0.00 H new ATOM 0 HB3 PHE B 58 14.475 18.757 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE B 58 13.451 17.785 -9.412 1.00 0.00 H new ATOM 0 HD2 PHE B 58 11.694 21.121 -7.431 1.00 0.00 H new ATOM 0 HE1 PHE B 58 12.068 18.235 -11.391 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.315 21.572 -9.407 1.00 0.00 H new ATOM 0 HZ PHE B 58 10.497 20.130 -11.390 1.00 0.00 H new ATOM 2119 N GLU B 59 14.408 17.079 -4.484 1.00 0.00 N ATOM 2120 CA GLU B 59 15.401 17.113 -3.426 1.00 0.00 C ATOM 2121 C GLU B 59 16.783 17.292 -4.039 1.00 0.00 C ATOM 2122 O GLU B 59 17.364 16.350 -4.582 1.00 0.00 O ATOM 2123 CB GLU B 59 15.358 15.858 -2.548 1.00 0.00 C ATOM 2124 CG GLU B 59 16.345 15.923 -1.391 1.00 0.00 C ATOM 2125 CD GLU B 59 16.188 14.790 -0.399 1.00 0.00 C ATOM 2126 OE1 GLU B 59 16.750 13.703 -0.639 1.00 0.00 O ATOM 2127 OE2 GLU B 59 15.526 14.993 0.644 1.00 0.00 O ATOM 0 H GLU B 59 14.264 16.170 -4.923 1.00 0.00 H new ATOM 0 HA GLU B 59 15.173 17.957 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU B 59 14.350 15.728 -2.155 1.00 0.00 H new ATOM 0 HB3 GLU B 59 15.577 14.983 -3.160 1.00 0.00 H new ATOM 0 HG2 GLU B 59 17.360 15.909 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU B 59 16.219 16.872 -0.870 1.00 0.00 H new ATOM 2134 N PHE B 60 17.290 18.514 -3.972 1.00 0.00 N ATOM 2135 CA PHE B 60 18.596 18.825 -4.519 1.00 0.00 C ATOM 2136 C PHE B 60 19.681 18.454 -3.525 1.00 0.00 C ATOM 2137 O PHE B 60 20.047 19.243 -2.651 1.00 0.00 O ATOM 2138 CB PHE B 60 18.701 20.307 -4.891 1.00 0.00 C ATOM 2139 CG PHE B 60 17.782 20.721 -6.005 1.00 0.00 C ATOM 2140 CD1 PHE B 60 18.051 20.348 -7.310 1.00 0.00 C ATOM 2141 CD2 PHE B 60 16.655 21.488 -5.749 1.00 0.00 C ATOM 2142 CE1 PHE B 60 17.214 20.729 -8.341 1.00 0.00 C ATOM 2143 CE2 PHE B 60 15.814 21.872 -6.777 1.00 0.00 C ATOM 2144 CZ PHE B 60 16.094 21.492 -8.074 1.00 0.00 C ATOM 0 H PHE B 60 16.813 19.306 -3.542 1.00 0.00 H new ATOM 0 HA PHE B 60 18.731 18.239 -5.428 1.00 0.00 H new ATOM 0 HB2 PHE B 60 18.482 20.909 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.729 20.527 -5.180 1.00 0.00 H new ATOM 0 HD1 PHE B 60 18.926 19.752 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE B 60 16.432 21.788 -4.736 1.00 0.00 H new ATOM 0 HE1 PHE B 60 17.435 20.430 -9.355 1.00 0.00 H new ATOM 0 HE2 PHE B 60 14.939 22.469 -6.565 1.00 0.00 H new ATOM 0 HZ PHE B 60 15.439 21.791 -8.879 1.00 0.00 H new ATOM 2154 N LYS B 61 20.174 17.236 -3.651 1.00 0.00 N ATOM 2155 CA LYS B 61 21.207 16.737 -2.765 1.00 0.00 C ATOM 2156 C LYS B 61 22.582 17.216 -3.205 1.00 0.00 C ATOM 2157 O LYS B 61 23.359 16.461 -3.792 1.00 0.00 O ATOM 2158 CB LYS B 61 21.182 15.214 -2.718 1.00 0.00 C ATOM 2159 CG LYS B 61 20.112 14.635 -1.810 1.00 0.00 C ATOM 2160 CD LYS B 61 20.450 14.861 -0.346 1.00 0.00 C ATOM 2161 CE LYS B 61 19.507 14.093 0.560 1.00 0.00 C ATOM 2162 NZ LYS B 61 19.806 14.316 1.997 1.00 0.00 N ATOM 0 H LYS B 61 19.873 16.571 -4.363 1.00 0.00 H new ATOM 0 HA LYS B 61 21.006 17.127 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS B 61 21.030 14.833 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.157 14.856 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS B 61 19.150 15.094 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS B 61 20.009 13.567 -2.001 1.00 0.00 H new ATOM 0 HD2 LYS B 61 21.477 14.549 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS B 61 20.392 15.925 -0.117 1.00 0.00 H new ATOM 0 HE2 LYS B 61 18.480 14.395 0.353 1.00 0.00 H new ATOM 0 HE3 LYS B 61 19.577 13.028 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 19.137 13.772 2.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 20.777 14.004 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 19.714 15.328 2.218 1.00 0.00 H new ATOM 2176 N ASN B 62 22.863 18.481 -2.948 1.00 0.00 N ATOM 2177 CA ASN B 62 24.190 19.019 -3.190 1.00 0.00 C ATOM 2178 C ASN B 62 25.190 18.336 -2.277 1.00 0.00 C ATOM 2179 O ASN B 62 24.806 17.781 -1.243 1.00 0.00 O ATOM 2180 CB ASN B 62 24.228 20.531 -2.958 1.00 0.00 C ATOM 2181 CG ASN B 62 23.674 21.317 -4.128 1.00 0.00 C ATOM 2182 OD1 ASN B 62 22.482 21.630 -4.178 1.00 0.00 O ATOM 2183 ND2 ASN B 62 24.535 21.628 -5.086 1.00 0.00 N ATOM 0 H ASN B 62 22.193 19.153 -2.573 1.00 0.00 H new ATOM 0 HA ASN B 62 24.450 18.830 -4.232 1.00 0.00 H new ATOM 0 HB2 ASN B 62 23.657 20.771 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN B 62 25.257 20.840 -2.773 1.00 0.00 H new ATOM 0 HD21 ASN B 62 24.220 22.147 -5.906 1.00 0.00 H new ATOM 0 HD22 ASN B 62 25.513 21.349 -5.003 1.00 0.00 H new ATOM 2190 N ALA B 63 26.461 18.378 -2.662 1.00 0.00 N ATOM 2191 CA ALA B 63 27.529 17.760 -1.885 1.00 0.00 C ATOM 2192 C ALA B 63 27.423 18.144 -0.416 1.00 0.00 C ATOM 2193 O ALA B 63 27.430 17.282 0.463 1.00 0.00 O ATOM 2194 CB ALA B 63 28.885 18.164 -2.444 1.00 0.00 C ATOM 0 H ALA B 63 26.778 18.838 -3.515 1.00 0.00 H new ATOM 0 HA ALA B 63 27.426 16.677 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA B 63 29.675 17.697 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA B 63 28.963 17.837 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA B 63 28.990 19.248 -2.396 1.00 0.00 H new ATOM 2200 N GLN B 64 27.324 19.451 -0.163 1.00 0.00 N ATOM 2201 CA GLN B 64 27.121 19.981 1.182 1.00 0.00 C ATOM 2202 C GLN B 64 28.301 19.620 2.087 1.00 0.00 C ATOM 2203 O GLN B 64 28.231 19.746 3.311 1.00 0.00 O ATOM 2204 CB GLN B 64 25.801 19.451 1.763 1.00 0.00 C ATOM 2205 CG GLN B 64 25.326 20.178 3.011 1.00 0.00 C ATOM 2206 CD GLN B 64 24.061 19.577 3.594 1.00 0.00 C ATOM 2207 OE1 GLN B 64 23.890 18.275 3.423 1.00 0.00 O flip ATOM 2208 NE2 GLN B 64 23.246 20.275 4.196 1.00 0.00 N flip ATOM 0 H GLN B 64 27.383 20.169 -0.885 1.00 0.00 H new ATOM 0 HA GLN B 64 27.062 21.068 1.127 1.00 0.00 H new ATOM 0 HB2 GLN B 64 25.027 19.523 0.999 1.00 0.00 H new ATOM 0 HB3 GLN B 64 25.920 18.393 1.997 1.00 0.00 H new ATOM 0 HG2 GLN B 64 26.115 20.153 3.763 1.00 0.00 H new ATOM 0 HG3 GLN B 64 25.148 21.226 2.770 1.00 0.00 H new ATOM 0 HE21 GLN B 64 23.414 21.275 4.307 1.00 0.00 H new ATOM 0 HE22 GLN B 64 22.402 19.854 4.584 1.00 0.00 H new ATOM 2217 N LEU B 65 29.404 19.203 1.476 1.00 0.00 N ATOM 2218 CA LEU B 65 30.576 18.793 2.230 1.00 0.00 C ATOM 2219 C LEU B 65 31.441 20.002 2.569 1.00 0.00 C ATOM 2220 O LEU B 65 32.657 19.901 2.718 1.00 0.00 O ATOM 2221 CB LEU B 65 31.392 17.757 1.457 1.00 0.00 C ATOM 2222 CG LEU B 65 32.401 16.986 2.313 1.00 0.00 C ATOM 2223 CD1 LEU B 65 31.688 16.058 3.285 1.00 0.00 C ATOM 2224 CD2 LEU B 65 33.368 16.209 1.443 1.00 0.00 C ATOM 0 H LEU B 65 29.508 19.141 0.463 1.00 0.00 H new ATOM 0 HA LEU B 65 30.236 18.333 3.158 1.00 0.00 H new ATOM 0 HB2 LEU B 65 30.709 17.046 0.992 1.00 0.00 H new ATOM 0 HB3 LEU B 65 31.926 18.260 0.651 1.00 0.00 H new ATOM 0 HG LEU B 65 32.974 17.711 2.891 1.00 0.00 H new ATOM 0 HD11 LEU B 65 32.425 15.521 3.882 1.00 0.00 H new ATOM 0 HD12 LEU B 65 31.045 16.644 3.942 1.00 0.00 H new ATOM 0 HD13 LEU B 65 31.082 15.343 2.728 1.00 0.00 H new ATOM 0 HD21 LEU B 65 34.074 15.670 2.075 1.00 0.00 H new ATOM 0 HD22 LEU B 65 32.815 15.498 0.829 1.00 0.00 H new ATOM 0 HD23 LEU B 65 33.912 16.899 0.798 1.00 0.00 H new