USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 413 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 25 THR OG1 : rot -109:sc= -0.327 USER MOD Set 1.2: A 28 GLN : amide:sc= -2.59! X(o=-2.9!,f=-2.9) USER MOD Single : A 23 THR OG1 : rot -23:sc= 0.0384 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.53) USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -0.0165 (180deg=-0.236) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= -0.095 (180deg=-1.05) USER MOD Single : A 46 MET CE :methyl 153:sc= -2.25! (180deg=-3.84!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.0064) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0137 (180deg=-0.194) USER MOD Single : A 62 GLN : amide:sc= -2.73! C(o=-2.7!,f=-9.6!) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.188 F(o=-2,f=-0.19) USER MOD Single : A 67 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.7!) USER MOD Single : A 68 THR OG1 : rot 74:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 23 10.430 -6.859 -9.285 1.00 0.00 N ATOM 302 CA THR A 23 9.583 -5.773 -9.763 1.00 0.00 C ATOM 303 C THR A 23 8.177 -5.877 -9.183 1.00 0.00 C ATOM 304 O THR A 23 7.898 -6.749 -8.360 1.00 0.00 O ATOM 305 CB THR A 23 9.492 -5.768 -11.301 1.00 0.00 C ATOM 306 OG1 THR A 23 8.947 -7.008 -11.764 1.00 0.00 O ATOM 307 CG2 THR A 23 10.863 -5.547 -11.923 1.00 0.00 C ATOM 0 HA THR A 23 10.043 -4.843 -9.430 1.00 0.00 H new ATOM 0 HB THR A 23 8.838 -4.950 -11.602 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.095 -7.703 -11.089 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.774 -5.547 -13.009 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.263 -4.588 -11.592 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.536 -6.347 -11.614 1.00 0.00 H new ATOM 315 N ILE A 24 7.296 -4.982 -9.617 1.00 0.00 N ATOM 316 CA ILE A 24 5.918 -4.975 -9.142 1.00 0.00 C ATOM 317 C ILE A 24 4.934 -4.936 -10.307 1.00 0.00 C ATOM 318 O ILE A 24 5.282 -4.526 -11.415 1.00 0.00 O ATOM 319 CB ILE A 24 5.648 -3.774 -8.217 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.773 -3.631 -7.189 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.305 -3.933 -7.520 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.521 -2.548 -6.164 1.00 0.00 C ATOM 0 H ILE A 24 7.512 -4.253 -10.297 1.00 0.00 H new ATOM 0 HA ILE A 24 5.774 -5.897 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 24 5.616 -2.868 -8.823 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.907 -4.583 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.706 -3.416 -7.711 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.129 -3.076 -6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.513 -3.991 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.310 -4.846 -6.924 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.359 -2.504 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.417 -1.587 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.606 -2.772 -5.616 1.00 0.00 H new ATOM 334 N THR A 25 3.702 -5.364 -10.049 1.00 0.00 N ATOM 335 CA THR A 25 2.667 -5.378 -11.074 1.00 0.00 C ATOM 336 C THR A 25 1.601 -4.326 -10.794 1.00 0.00 C ATOM 337 O THR A 25 1.375 -3.925 -9.652 1.00 0.00 O ATOM 338 CB THR A 25 1.995 -6.760 -11.176 1.00 0.00 C ATOM 339 OG1 THR A 25 1.564 -7.191 -9.880 1.00 0.00 O ATOM 340 CG2 THR A 25 2.952 -7.786 -11.765 1.00 0.00 C ATOM 0 H THR A 25 3.397 -5.706 -9.138 1.00 0.00 H new ATOM 0 HA THR A 25 3.157 -5.151 -12.021 1.00 0.00 H new ATOM 0 HB THR A 25 1.132 -6.672 -11.836 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.133 -7.928 -9.574 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.455 -8.754 -11.827 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.256 -7.469 -12.763 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.832 -7.871 -11.128 1.00 0.00 H new ATOM 348 N PRO A 26 0.927 -3.866 -11.858 1.00 0.00 N ATOM 349 CA PRO A 26 -0.129 -2.855 -11.751 1.00 0.00 C ATOM 350 C PRO A 26 -1.381 -3.394 -11.068 1.00 0.00 C ATOM 351 O PRO A 26 -2.256 -2.630 -10.664 1.00 0.00 O ATOM 352 CB PRO A 26 -0.427 -2.497 -13.209 1.00 0.00 C ATOM 353 CG PRO A 26 -0.025 -3.703 -13.985 1.00 0.00 C ATOM 354 CD PRO A 26 1.143 -4.299 -13.249 1.00 0.00 C ATOM 0 HA PRO A 26 0.181 -2.005 -11.144 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.483 -2.268 -13.352 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.136 -1.618 -13.524 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.847 -4.415 -14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.251 -3.436 -15.005 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.159 -5.386 -13.334 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.093 -3.935 -13.640 1.00 0.00 H new ATOM 362 N GLU A 27 -1.459 -4.716 -10.943 1.00 0.00 N ATOM 363 CA GLU A 27 -2.605 -5.356 -10.309 1.00 0.00 C ATOM 364 C GLU A 27 -2.320 -5.652 -8.840 1.00 0.00 C ATOM 365 O GLU A 27 -3.239 -5.853 -8.047 1.00 0.00 O ATOM 366 CB GLU A 27 -2.963 -6.651 -11.041 1.00 0.00 C ATOM 367 CG GLU A 27 -3.300 -6.448 -12.509 1.00 0.00 C ATOM 368 CD GLU A 27 -3.885 -7.691 -13.151 1.00 0.00 C ATOM 369 OE1 GLU A 27 -3.347 -8.792 -12.911 1.00 0.00 O ATOM 370 OE2 GLU A 27 -4.881 -7.562 -13.894 1.00 0.00 O ATOM 0 H GLU A 27 -0.743 -5.363 -11.272 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.449 -4.669 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.127 -7.346 -10.962 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.813 -7.117 -10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.010 -5.626 -12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.399 -6.155 -13.048 1.00 0.00 H new ATOM 377 N GLN A 28 -1.039 -5.676 -8.486 1.00 0.00 N ATOM 378 CA GLN A 28 -0.632 -5.949 -7.112 1.00 0.00 C ATOM 379 C GLN A 28 -0.586 -4.663 -6.293 1.00 0.00 C ATOM 380 O GLN A 28 -1.035 -4.628 -5.147 1.00 0.00 O ATOM 381 CB GLN A 28 0.737 -6.632 -7.089 1.00 0.00 C ATOM 382 CG GLN A 28 0.670 -8.136 -7.297 1.00 0.00 C ATOM 383 CD GLN A 28 2.041 -8.781 -7.341 1.00 0.00 C ATOM 384 OE1 GLN A 28 2.765 -8.662 -8.330 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.406 -9.469 -6.266 1.00 0.00 N ATOM 0 H GLN A 28 -0.266 -5.510 -9.130 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.370 -6.616 -6.666 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.365 -6.194 -7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.220 -6.427 -6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.087 -8.585 -6.492 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.143 -8.347 -8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.774 -9.542 -5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.318 -9.925 -6.238 1.00 0.00 H new ATOM 394 N LEU A 29 -0.039 -3.608 -6.887 1.00 0.00 N ATOM 395 CA LEU A 29 0.066 -2.319 -6.212 1.00 0.00 C ATOM 396 C LEU A 29 -1.216 -1.996 -5.453 1.00 0.00 C ATOM 397 O LEU A 29 -1.191 -1.763 -4.245 1.00 0.00 O ATOM 398 CB LEU A 29 0.365 -1.214 -7.226 1.00 0.00 C ATOM 399 CG LEU A 29 1.842 -0.967 -7.535 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.012 -0.454 -8.956 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.439 0.014 -6.537 1.00 0.00 C ATOM 0 H LEU A 29 0.339 -3.620 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 29 0.885 -2.377 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.145 -1.457 -8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.069 -0.284 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 29 2.375 -1.914 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.070 -0.284 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.623 -1.191 -9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.466 0.482 -9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.491 0.178 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.903 0.961 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.352 -0.393 -5.530 1.00 0.00 H new ATOM 413 N GLU A 30 -2.336 -1.985 -6.170 1.00 0.00 N ATOM 414 CA GLU A 30 -3.628 -1.691 -5.562 1.00 0.00 C ATOM 415 C GLU A 30 -3.695 -2.232 -4.137 1.00 0.00 C ATOM 416 O GLU A 30 -4.069 -1.516 -3.207 1.00 0.00 O ATOM 417 CB GLU A 30 -4.759 -2.291 -6.401 1.00 0.00 C ATOM 418 CG GLU A 30 -4.488 -2.266 -7.895 1.00 0.00 C ATOM 419 CD GLU A 30 -5.758 -2.346 -8.720 1.00 0.00 C ATOM 420 OE1 GLU A 30 -6.823 -1.940 -8.209 1.00 0.00 O ATOM 421 OE2 GLU A 30 -5.688 -2.815 -9.875 1.00 0.00 O ATOM 0 H GLU A 30 -2.374 -2.176 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.746 -0.608 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.925 -3.322 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.680 -1.744 -6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.952 -1.351 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.836 -3.100 -8.156 1.00 0.00 H new ATOM 428 N ILE A 31 -3.330 -3.499 -3.974 1.00 0.00 N ATOM 429 CA ILE A 31 -3.348 -4.136 -2.663 1.00 0.00 C ATOM 430 C ILE A 31 -2.428 -3.409 -1.686 1.00 0.00 C ATOM 431 O ILE A 31 -2.832 -3.065 -0.575 1.00 0.00 O ATOM 432 CB ILE A 31 -2.923 -5.613 -2.748 1.00 0.00 C ATOM 433 CG1 ILE A 31 -3.832 -6.373 -3.717 1.00 0.00 C ATOM 434 CG2 ILE A 31 -2.955 -6.255 -1.369 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.220 -7.652 -4.243 1.00 0.00 C ATOM 0 H ILE A 31 -3.018 -4.105 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.375 -4.083 -2.301 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.901 -5.660 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.770 -6.609 -3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.076 -5.724 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.652 -7.299 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.270 -5.727 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.966 -6.200 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.920 -8.137 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.297 -7.422 -4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.001 -8.320 -3.410 1.00 0.00 H new ATOM 447 N LEU A 32 -1.191 -3.178 -2.109 1.00 0.00 N ATOM 448 CA LEU A 32 -0.213 -2.490 -1.274 1.00 0.00 C ATOM 449 C LEU A 32 -0.701 -1.095 -0.899 1.00 0.00 C ATOM 450 O LEU A 32 -0.722 -0.727 0.276 1.00 0.00 O ATOM 451 CB LEU A 32 1.131 -2.395 -1.999 1.00 0.00 C ATOM 452 CG LEU A 32 1.671 -3.700 -2.585 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.871 -3.427 -3.478 1.00 0.00 C ATOM 454 CD2 LEU A 32 2.042 -4.670 -1.472 1.00 0.00 C ATOM 0 H LEU A 32 -0.841 -3.457 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.085 -3.068 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.035 -1.670 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.870 -2.000 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 32 0.888 -4.156 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.242 -4.367 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.575 -2.769 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.658 -2.949 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.424 -5.593 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.808 -4.222 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.159 -4.890 -0.872 1.00 0.00 H new ATOM 466 N TYR A 33 -1.096 -0.322 -1.906 1.00 0.00 N ATOM 467 CA TYR A 33 -1.585 1.033 -1.682 1.00 0.00 C ATOM 468 C TYR A 33 -2.711 1.044 -0.653 1.00 0.00 C ATOM 469 O TYR A 33 -2.724 1.868 0.260 1.00 0.00 O ATOM 470 CB TYR A 33 -2.074 1.644 -2.997 1.00 0.00 C ATOM 471 CG TYR A 33 -0.960 2.185 -3.864 1.00 0.00 C ATOM 472 CD1 TYR A 33 -0.119 3.190 -3.402 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.749 1.692 -5.146 1.00 0.00 C ATOM 474 CE1 TYR A 33 0.900 3.688 -4.192 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.268 2.183 -5.942 1.00 0.00 C ATOM 476 CZ TYR A 33 1.089 3.181 -5.460 1.00 0.00 C ATOM 477 OH TYR A 33 2.103 3.674 -6.250 1.00 0.00 O ATOM 0 H TYR A 33 -1.087 -0.611 -2.884 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.760 1.631 -1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.624 0.888 -3.557 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.774 2.449 -2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.264 3.589 -2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.391 0.912 -5.527 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.544 4.470 -3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.419 1.788 -6.936 1.00 0.00 H new ATOM 0 HH TYR A 33 2.101 3.209 -7.113 1.00 0.00 H new ATOM 487 N GLN A 34 -3.655 0.121 -0.809 1.00 0.00 N ATOM 488 CA GLN A 34 -4.786 0.023 0.105 1.00 0.00 C ATOM 489 C GLN A 34 -4.313 -0.260 1.528 1.00 0.00 C ATOM 490 O GLN A 34 -4.771 0.368 2.482 1.00 0.00 O ATOM 491 CB GLN A 34 -5.746 -1.076 -0.353 1.00 0.00 C ATOM 492 CG GLN A 34 -6.812 -0.587 -1.320 1.00 0.00 C ATOM 493 CD GLN A 34 -7.515 0.664 -0.831 1.00 0.00 C ATOM 494 OE1 GLN A 34 -7.622 1.654 -1.556 1.00 0.00 O ATOM 495 NE2 GLN A 34 -7.999 0.626 0.405 1.00 0.00 N ATOM 0 H GLN A 34 -3.658 -0.569 -1.560 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.310 0.979 0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.173 -1.872 -0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.231 -1.511 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.354 -0.386 -2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.548 -1.376 -1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.888 -0.215 0.971 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.482 1.438 0.789 1.00 0.00 H new ATOM 504 N LYS A 35 -3.393 -1.209 1.662 1.00 0.00 N ATOM 505 CA LYS A 35 -2.856 -1.576 2.967 1.00 0.00 C ATOM 506 C LYS A 35 -1.987 -0.456 3.532 1.00 0.00 C ATOM 507 O LYS A 35 -1.836 -0.327 4.747 1.00 0.00 O ATOM 508 CB LYS A 35 -2.040 -2.866 2.862 1.00 0.00 C ATOM 509 CG LYS A 35 -2.840 -4.052 2.352 1.00 0.00 C ATOM 510 CD LYS A 35 -3.568 -4.761 3.481 1.00 0.00 C ATOM 511 CE LYS A 35 -4.635 -5.706 2.950 1.00 0.00 C ATOM 512 NZ LYS A 35 -5.782 -4.968 2.352 1.00 0.00 N ATOM 0 H LYS A 35 -3.003 -1.738 0.882 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.694 -1.739 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.193 -2.697 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.632 -3.109 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.562 -3.713 1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.173 -4.754 1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.852 -5.321 4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.028 -4.023 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.196 -6.364 2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.994 -6.340 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.599 -5.606 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.033 -4.164 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.516 -4.618 1.410 1.00 0.00 H new ATOM 526 N TYR A 36 -1.419 0.351 2.643 1.00 0.00 N ATOM 527 CA TYR A 36 -0.564 1.459 3.053 1.00 0.00 C ATOM 528 C TYR A 36 -1.397 2.626 3.572 1.00 0.00 C ATOM 529 O TYR A 36 -1.111 3.186 4.632 1.00 0.00 O ATOM 530 CB TYR A 36 0.306 1.919 1.882 1.00 0.00 C ATOM 531 CG TYR A 36 1.161 3.125 2.201 1.00 0.00 C ATOM 532 CD1 TYR A 36 2.411 2.978 2.790 1.00 0.00 C ATOM 533 CD2 TYR A 36 0.720 4.410 1.912 1.00 0.00 C ATOM 534 CE1 TYR A 36 3.195 4.077 3.084 1.00 0.00 C ATOM 535 CE2 TYR A 36 1.498 5.514 2.200 1.00 0.00 C ATOM 536 CZ TYR A 36 2.735 5.342 2.787 1.00 0.00 C ATOM 537 OH TYR A 36 3.514 6.439 3.077 1.00 0.00 O ATOM 0 H TYR A 36 -1.535 0.259 1.634 1.00 0.00 H new ATOM 0 HA TYR A 36 0.080 1.109 3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.952 1.097 1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.336 2.153 1.033 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.776 1.988 3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.248 4.548 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 36 4.163 3.946 3.544 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.140 6.506 1.967 1.00 0.00 H new ATOM 0 HH TYR A 36 3.045 7.255 2.804 1.00 0.00 H new ATOM 547 N LEU A 37 -2.430 2.989 2.819 1.00 0.00 N ATOM 548 CA LEU A 37 -3.307 4.090 3.202 1.00 0.00 C ATOM 549 C LEU A 37 -3.889 3.863 4.594 1.00 0.00 C ATOM 550 O LEU A 37 -4.176 4.815 5.321 1.00 0.00 O ATOM 551 CB LEU A 37 -4.437 4.245 2.183 1.00 0.00 C ATOM 552 CG LEU A 37 -4.012 4.605 0.759 1.00 0.00 C ATOM 553 CD1 LEU A 37 -5.058 4.141 -0.243 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.780 6.103 0.634 1.00 0.00 C ATOM 0 H LEU A 37 -2.681 2.537 1.940 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.715 5.005 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.998 3.311 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.120 5.015 2.542 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.075 4.093 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.739 4.406 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.176 3.060 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.010 4.625 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.478 6.341 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.701 6.635 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.994 6.408 1.325 1.00 0.00 H new ATOM 566 N LEU A 38 -4.059 2.597 4.960 1.00 0.00 N ATOM 567 CA LEU A 38 -4.604 2.245 6.266 1.00 0.00 C ATOM 568 C LEU A 38 -3.488 2.027 7.282 1.00 0.00 C ATOM 569 O LEU A 38 -3.693 2.174 8.486 1.00 0.00 O ATOM 570 CB LEU A 38 -5.465 0.985 6.158 1.00 0.00 C ATOM 571 CG LEU A 38 -4.731 -0.346 6.331 1.00 0.00 C ATOM 572 CD1 LEU A 38 -4.682 -0.741 7.799 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.400 -1.435 5.505 1.00 0.00 C ATOM 0 H LEU A 38 -3.827 1.798 4.371 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.224 3.073 6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.254 1.042 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.952 0.984 5.183 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.708 -0.225 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.156 -1.690 7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.157 0.028 8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.697 -0.845 8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.865 -2.375 5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.433 -1.556 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.382 -1.155 4.452 1.00 0.00 H new ATOM 585 N ASP A 39 -2.305 1.677 6.787 1.00 0.00 N ATOM 586 CA ASP A 39 -1.154 1.442 7.651 1.00 0.00 C ATOM 587 C ASP A 39 0.142 1.469 6.848 1.00 0.00 C ATOM 588 O ASP A 39 0.390 0.593 6.020 1.00 0.00 O ATOM 589 CB ASP A 39 -1.295 0.099 8.370 1.00 0.00 C ATOM 590 CG ASP A 39 -0.554 0.070 9.692 1.00 0.00 C ATOM 591 OD1 ASP A 39 0.694 0.047 9.671 1.00 0.00 O ATOM 592 OD2 ASP A 39 -1.222 0.068 10.747 1.00 0.00 O ATOM 0 H ASP A 39 -2.119 1.550 5.792 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.118 2.240 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.351 -0.108 8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.916 -0.696 7.727 1.00 0.00 H new ATOM 597 N SER A 40 0.966 2.482 7.099 1.00 0.00 N ATOM 598 CA SER A 40 2.236 2.627 6.396 1.00 0.00 C ATOM 599 C SER A 40 3.408 2.319 7.323 1.00 0.00 C ATOM 600 O SER A 40 4.561 2.286 6.894 1.00 0.00 O ATOM 601 CB SER A 40 2.373 4.043 5.834 1.00 0.00 C ATOM 602 OG SER A 40 2.036 5.014 6.809 1.00 0.00 O ATOM 0 H SER A 40 0.777 3.214 7.784 1.00 0.00 H new ATOM 0 HA SER A 40 2.251 1.914 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.396 4.205 5.493 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.726 4.157 4.964 1.00 0.00 H new ATOM 0 HG SER A 40 2.133 5.910 6.425 1.00 0.00 H new ATOM 608 N ASN A 41 3.104 2.095 8.597 1.00 0.00 N ATOM 609 CA ASN A 41 4.131 1.790 9.586 1.00 0.00 C ATOM 610 C ASN A 41 3.933 0.393 10.165 1.00 0.00 C ATOM 611 O ASN A 41 4.023 0.175 11.373 1.00 0.00 O ATOM 612 CB ASN A 41 4.109 2.828 10.711 1.00 0.00 C ATOM 613 CG ASN A 41 2.708 3.321 11.015 1.00 0.00 C ATOM 614 OD1 ASN A 41 1.963 2.688 11.763 1.00 0.00 O ATOM 615 ND2 ASN A 41 2.342 4.458 10.433 1.00 0.00 N ATOM 0 H ASN A 41 2.154 2.119 8.969 1.00 0.00 H new ATOM 0 HA ASN A 41 5.100 1.823 9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.542 2.393 11.612 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.737 3.675 10.433 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.411 4.839 10.599 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.992 4.950 9.820 1.00 0.00 H new ATOM 622 N PRO A 42 3.657 -0.579 9.282 1.00 0.00 N ATOM 623 CA PRO A 42 3.441 -1.973 9.681 1.00 0.00 C ATOM 624 C PRO A 42 4.723 -2.642 10.165 1.00 0.00 C ATOM 625 O PRO A 42 5.825 -2.146 9.925 1.00 0.00 O ATOM 626 CB PRO A 42 2.944 -2.637 8.395 1.00 0.00 C ATOM 627 CG PRO A 42 3.500 -1.798 7.296 1.00 0.00 C ATOM 628 CD PRO A 42 3.535 -0.392 7.827 1.00 0.00 C ATOM 0 HA PRO A 42 2.745 -2.055 10.516 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.292 -3.667 8.321 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.855 -2.665 8.359 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.498 -2.134 7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.879 -1.863 6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.377 0.169 7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.631 0.158 7.567 1.00 0.00 H new ATOM 636 N THR A 43 4.574 -3.773 10.849 1.00 0.00 N ATOM 637 CA THR A 43 5.719 -4.510 11.367 1.00 0.00 C ATOM 638 C THR A 43 6.081 -5.676 10.455 1.00 0.00 C ATOM 639 O THR A 43 5.282 -6.090 9.614 1.00 0.00 O ATOM 640 CB THR A 43 5.447 -5.046 12.785 1.00 0.00 C ATOM 641 OG1 THR A 43 6.624 -5.672 13.307 1.00 0.00 O ATOM 642 CG2 THR A 43 4.298 -6.044 12.775 1.00 0.00 C ATOM 0 H THR A 43 3.670 -4.198 11.057 1.00 0.00 H new ATOM 0 HA THR A 43 6.554 -3.811 11.405 1.00 0.00 H new ATOM 0 HB THR A 43 5.172 -4.204 13.421 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.443 -6.008 14.209 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.124 -6.409 13.787 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.396 -5.557 12.405 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.550 -6.882 12.125 1.00 0.00 H new ATOM 650 N ARG A 44 7.288 -6.204 10.628 1.00 0.00 N ATOM 651 CA ARG A 44 7.755 -7.324 9.819 1.00 0.00 C ATOM 652 C ARG A 44 6.652 -8.361 9.638 1.00 0.00 C ATOM 653 O ARG A 44 6.452 -8.887 8.543 1.00 0.00 O ATOM 654 CB ARG A 44 8.979 -7.973 10.468 1.00 0.00 C ATOM 655 CG ARG A 44 10.149 -7.020 10.653 1.00 0.00 C ATOM 656 CD ARG A 44 11.013 -6.950 9.404 1.00 0.00 C ATOM 657 NE ARG A 44 12.375 -6.516 9.705 1.00 0.00 N ATOM 658 CZ ARG A 44 13.393 -6.654 8.863 1.00 0.00 C ATOM 659 NH1 ARG A 44 13.204 -7.211 7.674 1.00 0.00 N ATOM 660 NH2 ARG A 44 14.603 -6.234 9.209 1.00 0.00 N ATOM 0 H ARG A 44 7.960 -5.875 11.321 1.00 0.00 H new ATOM 0 HA ARG A 44 8.033 -6.940 8.837 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.693 -8.377 11.439 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.301 -8.815 9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.775 -6.025 10.894 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.755 -7.346 11.498 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.042 -7.930 8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.562 -6.261 8.689 1.00 0.00 H new ATOM 0 HE ARG A 44 12.554 -6.083 10.611 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.275 -7.535 7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.988 -7.316 7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.752 -5.805 10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.384 -6.340 8.562 1.00 0.00 H new ATOM 674 N LYS A 45 5.937 -8.653 10.720 1.00 0.00 N ATOM 675 CA LYS A 45 4.853 -9.627 10.683 1.00 0.00 C ATOM 676 C LYS A 45 3.857 -9.289 9.578 1.00 0.00 C ATOM 677 O LYS A 45 3.504 -10.144 8.765 1.00 0.00 O ATOM 678 CB LYS A 45 4.136 -9.675 12.033 1.00 0.00 C ATOM 679 CG LYS A 45 3.367 -10.963 12.269 1.00 0.00 C ATOM 680 CD LYS A 45 4.299 -12.117 12.599 1.00 0.00 C ATOM 681 CE LYS A 45 4.539 -12.228 14.096 1.00 0.00 C ATOM 682 NZ LYS A 45 5.666 -11.363 14.543 1.00 0.00 N ATOM 0 H LYS A 45 6.090 -8.228 11.635 1.00 0.00 H new ATOM 0 HA LYS A 45 5.284 -10.606 10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.870 -9.549 12.829 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.447 -8.833 12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.659 -10.821 13.086 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.784 -11.208 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.872 -13.049 12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.250 -11.976 12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.632 -11.948 14.631 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.753 -13.265 14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.108 -11.777 15.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.372 -11.293 13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.306 -10.414 14.770 1.00 0.00 H new ATOM 696 N MET A 46 3.408 -8.039 9.554 1.00 0.00 N ATOM 697 CA MET A 46 2.455 -7.589 8.546 1.00 0.00 C ATOM 698 C MET A 46 3.051 -7.696 7.146 1.00 0.00 C ATOM 699 O MET A 46 2.493 -8.360 6.272 1.00 0.00 O ATOM 700 CB MET A 46 2.031 -6.145 8.823 1.00 0.00 C ATOM 701 CG MET A 46 1.243 -5.980 10.112 1.00 0.00 C ATOM 702 SD MET A 46 -0.534 -6.165 9.869 1.00 0.00 S ATOM 703 CE MET A 46 -0.639 -7.901 9.443 1.00 0.00 C ATOM 0 H MET A 46 3.688 -7.320 10.221 1.00 0.00 H new ATOM 0 HA MET A 46 1.578 -8.235 8.598 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.920 -5.516 8.867 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.428 -5.786 7.989 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.585 -6.717 10.839 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.447 -4.996 10.535 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.619 -8.286 9.724 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.496 -8.021 8.369 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.134 -8.454 9.976 1.00 0.00 H new ATOM 713 N LEU A 47 4.187 -7.039 6.941 1.00 0.00 N ATOM 714 CA LEU A 47 4.860 -7.061 5.646 1.00 0.00 C ATOM 715 C LEU A 47 4.933 -8.481 5.094 1.00 0.00 C ATOM 716 O LEU A 47 4.861 -8.691 3.883 1.00 0.00 O ATOM 717 CB LEU A 47 6.268 -6.477 5.771 1.00 0.00 C ATOM 718 CG LEU A 47 6.351 -5.004 6.173 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.794 -4.604 6.441 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.743 -4.122 5.093 1.00 0.00 C ATOM 0 H LEU A 47 4.662 -6.485 7.654 1.00 0.00 H new ATOM 0 HA LEU A 47 4.281 -6.451 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.819 -7.065 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.777 -6.601 4.815 1.00 0.00 H new ATOM 0 HG LEU A 47 5.781 -4.865 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.833 -3.553 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.197 -5.214 7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.388 -4.758 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.811 -3.077 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.286 -4.265 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.697 -4.391 4.950 1.00 0.00 H new ATOM 732 N ASP A 48 5.073 -9.452 5.990 1.00 0.00 N ATOM 733 CA ASP A 48 5.152 -10.853 5.593 1.00 0.00 C ATOM 734 C ASP A 48 3.814 -11.339 5.045 1.00 0.00 C ATOM 735 O ASP A 48 3.752 -11.942 3.973 1.00 0.00 O ATOM 736 CB ASP A 48 5.576 -11.718 6.780 1.00 0.00 C ATOM 737 CG ASP A 48 6.020 -13.105 6.357 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.144 -13.962 6.122 1.00 0.00 O ATOM 739 OD2 ASP A 48 7.245 -13.332 6.261 1.00 0.00 O ATOM 0 H ASP A 48 5.134 -9.295 6.996 1.00 0.00 H new ATOM 0 HA ASP A 48 5.900 -10.940 4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.390 -11.226 7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.744 -11.803 7.479 1.00 0.00 H new ATOM 744 N HIS A 49 2.745 -11.073 5.788 1.00 0.00 N ATOM 745 CA HIS A 49 1.407 -11.484 5.377 1.00 0.00 C ATOM 746 C HIS A 49 1.009 -10.808 4.068 1.00 0.00 C ATOM 747 O HIS A 49 0.733 -11.477 3.072 1.00 0.00 O ATOM 748 CB HIS A 49 0.389 -11.147 6.468 1.00 0.00 C ATOM 749 CG HIS A 49 -1.001 -11.606 6.152 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.477 -12.854 6.494 1.00 0.00 N ATOM 751 CD2 HIS A 49 -2.020 -10.975 5.524 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.729 -12.972 6.088 1.00 0.00 C ATOM 753 NE2 HIS A 49 -3.083 -11.845 5.497 1.00 0.00 N ATOM 0 H HIS A 49 2.779 -10.575 6.677 1.00 0.00 H new ATOM 0 HA HIS A 49 1.417 -12.563 5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.709 -11.602 7.405 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.380 -10.068 6.624 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.001 -9.974 5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.356 -13.842 6.217 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.997 -11.652 5.087 1.00 0.00 H new ATOM 762 N ILE A 50 0.981 -9.479 4.079 1.00 0.00 N ATOM 763 CA ILE A 50 0.618 -8.714 2.893 1.00 0.00 C ATOM 764 C ILE A 50 1.363 -9.220 1.662 1.00 0.00 C ATOM 765 O ILE A 50 0.767 -9.430 0.606 1.00 0.00 O ATOM 766 CB ILE A 50 0.914 -7.214 3.078 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.179 -6.674 4.306 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.516 -6.438 1.831 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.896 -5.528 4.984 1.00 0.00 C ATOM 0 H ILE A 50 1.205 -8.911 4.896 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.454 -8.849 2.747 1.00 0.00 H new ATOM 0 HB ILE A 50 1.985 -7.087 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.816 -6.344 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.044 -7.483 5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.731 -5.379 1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.081 -6.809 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.550 -6.569 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.318 -5.196 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.881 -5.859 5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.007 -4.702 4.282 1.00 0.00 H new ATOM 781 N ALA A 51 2.669 -9.416 1.807 1.00 0.00 N ATOM 782 CA ALA A 51 3.496 -9.901 0.709 1.00 0.00 C ATOM 783 C ALA A 51 3.122 -11.331 0.331 1.00 0.00 C ATOM 784 O ALA A 51 3.401 -11.783 -0.780 1.00 0.00 O ATOM 785 CB ALA A 51 4.969 -9.820 1.081 1.00 0.00 C ATOM 0 H ALA A 51 3.178 -9.246 2.675 1.00 0.00 H new ATOM 0 HA ALA A 51 3.316 -9.264 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.574 -10.185 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.234 -8.785 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.156 -10.432 1.964 1.00 0.00 H new ATOM 791 N HIS A 52 2.489 -12.038 1.261 1.00 0.00 N ATOM 792 CA HIS A 52 2.076 -13.417 1.025 1.00 0.00 C ATOM 793 C HIS A 52 0.749 -13.466 0.274 1.00 0.00 C ATOM 794 O HIS A 52 0.523 -14.355 -0.546 1.00 0.00 O ATOM 795 CB HIS A 52 1.954 -14.169 2.350 1.00 0.00 C ATOM 796 CG HIS A 52 1.607 -15.617 2.187 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.530 -16.632 2.326 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.430 -16.219 1.897 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.936 -17.795 2.127 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.661 -17.572 1.865 1.00 0.00 N ATOM 0 H HIS A 52 2.251 -11.679 2.185 1.00 0.00 H new ATOM 0 HA HIS A 52 2.838 -13.898 0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.896 -14.088 2.892 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.192 -13.688 2.963 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.515 -15.727 1.723 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.412 -18.763 2.171 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.038 -18.288 1.670 1.00 0.00 H new ATOM 809 N GLU A 53 -0.124 -12.506 0.562 1.00 0.00 N ATOM 810 CA GLU A 53 -1.429 -12.442 -0.086 1.00 0.00 C ATOM 811 C GLU A 53 -1.319 -11.806 -1.469 1.00 0.00 C ATOM 812 O GLU A 53 -2.013 -12.206 -2.405 1.00 0.00 O ATOM 813 CB GLU A 53 -2.412 -11.647 0.776 1.00 0.00 C ATOM 814 CG GLU A 53 -2.352 -10.147 0.543 1.00 0.00 C ATOM 815 CD GLU A 53 -3.452 -9.399 1.269 1.00 0.00 C ATOM 816 OE1 GLU A 53 -4.550 -9.971 1.436 1.00 0.00 O ATOM 817 OE2 GLU A 53 -3.215 -8.240 1.672 1.00 0.00 O ATOM 0 H GLU A 53 0.048 -11.763 1.239 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.799 -13.461 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.424 -11.997 0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.208 -11.851 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.384 -9.771 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.426 -9.946 -0.526 1.00 0.00 H new ATOM 824 N VAL A 54 -0.444 -10.814 -1.590 1.00 0.00 N ATOM 825 CA VAL A 54 -0.242 -10.123 -2.858 1.00 0.00 C ATOM 826 C VAL A 54 0.608 -10.957 -3.810 1.00 0.00 C ATOM 827 O VAL A 54 0.556 -10.777 -5.026 1.00 0.00 O ATOM 828 CB VAL A 54 0.434 -8.754 -2.650 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.323 -7.907 -3.909 1.00 0.00 C ATOM 830 CG2 VAL A 54 -0.178 -8.034 -1.458 1.00 0.00 C ATOM 0 H VAL A 54 0.137 -10.470 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.229 -9.971 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 54 1.492 -8.918 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.806 -6.944 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.812 -8.420 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.728 -7.749 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.311 -7.069 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.243 -7.880 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.042 -8.636 -0.560 1.00 0.00 H new ATOM 840 N GLY A 55 1.391 -11.872 -3.247 1.00 0.00 N ATOM 841 CA GLY A 55 2.241 -12.722 -4.060 1.00 0.00 C ATOM 842 C GLY A 55 3.453 -11.986 -4.597 1.00 0.00 C ATOM 843 O GLY A 55 3.866 -12.203 -5.737 1.00 0.00 O ATOM 0 H GLY A 55 1.452 -12.040 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.571 -13.575 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.662 -13.119 -4.894 1.00 0.00 H new ATOM 847 N LEU A 56 4.024 -11.112 -3.776 1.00 0.00 N ATOM 848 CA LEU A 56 5.195 -10.339 -4.175 1.00 0.00 C ATOM 849 C LEU A 56 6.348 -10.554 -3.200 1.00 0.00 C ATOM 850 O LEU A 56 6.136 -10.907 -2.039 1.00 0.00 O ATOM 851 CB LEU A 56 4.847 -8.851 -4.252 1.00 0.00 C ATOM 852 CG LEU A 56 5.770 -7.990 -5.115 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.782 -8.493 -6.550 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.340 -6.531 -5.063 1.00 0.00 C ATOM 0 H LEU A 56 3.695 -10.921 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 56 5.508 -10.684 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.831 -8.755 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.846 -8.446 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 56 6.782 -8.065 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.444 -7.868 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.138 -9.523 -6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.773 -8.449 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.008 -5.933 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.320 -6.439 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.384 -6.175 -4.034 1.00 0.00 H new ATOM 866 N LYS A 57 7.569 -10.337 -3.677 1.00 0.00 N ATOM 867 CA LYS A 57 8.756 -10.503 -2.847 1.00 0.00 C ATOM 868 C LYS A 57 8.608 -9.749 -1.529 1.00 0.00 C ATOM 869 O LYS A 57 8.520 -8.521 -1.510 1.00 0.00 O ATOM 870 CB LYS A 57 9.997 -10.008 -3.593 1.00 0.00 C ATOM 871 CG LYS A 57 10.403 -10.898 -4.755 1.00 0.00 C ATOM 872 CD LYS A 57 11.279 -12.051 -4.295 1.00 0.00 C ATOM 873 CE LYS A 57 12.119 -12.603 -5.436 1.00 0.00 C ATOM 874 NZ LYS A 57 11.416 -13.693 -6.167 1.00 0.00 N ATOM 0 H LYS A 57 7.762 -10.045 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 57 8.870 -11.564 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.809 -9.001 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.829 -9.938 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.511 -11.290 -5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.939 -10.307 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.933 -11.714 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.653 -12.844 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.362 -11.798 -6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.063 -12.980 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.022 -14.042 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.207 -14.472 -5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.527 -13.327 -6.565 1.00 0.00 H new ATOM 888 N LYS A 58 8.582 -10.493 -0.428 1.00 0.00 N ATOM 889 CA LYS A 58 8.448 -9.896 0.896 1.00 0.00 C ATOM 890 C LYS A 58 9.304 -8.639 1.015 1.00 0.00 C ATOM 891 O LYS A 58 8.813 -7.576 1.396 1.00 0.00 O ATOM 892 CB LYS A 58 8.850 -10.904 1.975 1.00 0.00 C ATOM 893 CG LYS A 58 8.119 -10.708 3.292 1.00 0.00 C ATOM 894 CD LYS A 58 8.411 -9.344 3.895 1.00 0.00 C ATOM 895 CE LYS A 58 8.346 -9.380 5.414 1.00 0.00 C ATOM 896 NZ LYS A 58 9.491 -10.131 6.000 1.00 0.00 N ATOM 0 H LYS A 58 8.652 -11.511 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 58 7.404 -9.618 1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.657 -11.912 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.923 -10.828 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.046 -10.814 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.416 -11.488 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.400 -9.010 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.693 -8.616 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.343 -8.361 5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.410 -9.843 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.621 -9.847 6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.297 -11.152 5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.356 -9.919 5.463 1.00 0.00 H new ATOM 910 N ARG A 59 10.585 -8.767 0.686 1.00 0.00 N ATOM 911 CA ARG A 59 11.509 -7.641 0.757 1.00 0.00 C ATOM 912 C ARG A 59 10.975 -6.450 -0.034 1.00 0.00 C ATOM 913 O ARG A 59 10.913 -5.331 0.475 1.00 0.00 O ATOM 914 CB ARG A 59 12.883 -8.048 0.222 1.00 0.00 C ATOM 915 CG ARG A 59 13.938 -6.963 0.367 1.00 0.00 C ATOM 916 CD ARG A 59 14.321 -6.748 1.823 1.00 0.00 C ATOM 917 NE ARG A 59 14.929 -5.439 2.042 1.00 0.00 N ATOM 918 CZ ARG A 59 15.559 -5.099 3.161 1.00 0.00 C ATOM 919 NH1 ARG A 59 15.663 -5.967 4.157 1.00 0.00 N ATOM 920 NH2 ARG A 59 16.086 -3.888 3.285 1.00 0.00 N ATOM 0 H ARG A 59 11.007 -9.639 0.368 1.00 0.00 H new ATOM 0 HA ARG A 59 11.606 -7.347 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.218 -8.942 0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.790 -8.314 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.824 -7.236 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.562 -6.030 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.434 -6.845 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.017 -7.527 2.133 1.00 0.00 H new ATOM 0 HE ARG A 59 14.867 -4.747 1.295 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.259 -6.899 4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.147 -5.703 5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.008 -3.217 2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.570 -3.628 4.145 1.00 0.00 H new ATOM 934 N VAL A 60 10.592 -6.699 -1.282 1.00 0.00 N ATOM 935 CA VAL A 60 10.063 -5.648 -2.144 1.00 0.00 C ATOM 936 C VAL A 60 8.885 -4.939 -1.486 1.00 0.00 C ATOM 937 O VAL A 60 8.747 -3.720 -1.584 1.00 0.00 O ATOM 938 CB VAL A 60 9.614 -6.212 -3.505 1.00 0.00 C ATOM 939 CG1 VAL A 60 8.937 -5.130 -4.333 1.00 0.00 C ATOM 940 CG2 VAL A 60 10.798 -6.804 -4.253 1.00 0.00 C ATOM 0 H VAL A 60 10.638 -7.619 -1.719 1.00 0.00 H new ATOM 0 HA VAL A 60 10.870 -4.933 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 60 8.891 -7.008 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.626 -5.546 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.063 -4.757 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.636 -4.311 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.462 -7.198 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.547 -6.030 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.235 -7.610 -3.663 1.00 0.00 H new ATOM 950 N VAL A 61 8.037 -5.711 -0.813 1.00 0.00 N ATOM 951 CA VAL A 61 6.870 -5.157 -0.137 1.00 0.00 C ATOM 952 C VAL A 61 7.270 -4.435 1.145 1.00 0.00 C ATOM 953 O VAL A 61 6.628 -3.465 1.548 1.00 0.00 O ATOM 954 CB VAL A 61 5.845 -6.255 0.204 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.708 -5.684 1.038 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.314 -6.901 -1.067 1.00 0.00 C ATOM 0 H VAL A 61 8.137 -6.722 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 61 6.413 -4.445 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 61 6.344 -7.024 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.994 -6.474 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.108 -5.273 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.207 -4.895 0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.591 -7.674 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.830 -6.145 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.140 -7.348 -1.621 1.00 0.00 H new ATOM 966 N GLN A 62 8.335 -4.913 1.780 1.00 0.00 N ATOM 967 CA GLN A 62 8.820 -4.312 3.017 1.00 0.00 C ATOM 968 C GLN A 62 9.459 -2.954 2.748 1.00 0.00 C ATOM 969 O GLN A 62 9.299 -2.015 3.528 1.00 0.00 O ATOM 970 CB GLN A 62 9.830 -5.239 3.697 1.00 0.00 C ATOM 971 CG GLN A 62 10.781 -4.516 4.637 1.00 0.00 C ATOM 972 CD GLN A 62 11.681 -5.467 5.401 1.00 0.00 C ATOM 973 OE1 GLN A 62 11.852 -5.339 6.614 1.00 0.00 O ATOM 974 NE2 GLN A 62 12.261 -6.430 4.694 1.00 0.00 N ATOM 0 H GLN A 62 8.878 -5.714 1.459 1.00 0.00 H new ATOM 0 HA GLN A 62 7.967 -4.167 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.290 -6.003 4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.410 -5.754 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.395 -3.822 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.204 -3.921 5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.091 -6.499 3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.876 -7.101 5.154 1.00 0.00 H new ATOM 983 N VAL A 63 10.185 -2.856 1.638 1.00 0.00 N ATOM 984 CA VAL A 63 10.848 -1.613 1.266 1.00 0.00 C ATOM 985 C VAL A 63 9.870 -0.641 0.616 1.00 0.00 C ATOM 986 O VAL A 63 9.934 0.567 0.844 1.00 0.00 O ATOM 987 CB VAL A 63 12.019 -1.869 0.298 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.685 -0.559 -0.093 1.00 0.00 C ATOM 989 CG2 VAL A 63 13.026 -2.823 0.922 1.00 0.00 C ATOM 0 H VAL A 63 10.328 -3.623 0.981 1.00 0.00 H new ATOM 0 HA VAL A 63 11.235 -1.174 2.186 1.00 0.00 H new ATOM 0 HB VAL A 63 11.625 -2.333 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.510 -0.760 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.957 0.087 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 63 13.067 -0.064 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.847 -2.993 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.416 -2.389 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.538 -3.772 1.146 1.00 0.00 H new ATOM 999 N TRP A 64 8.964 -1.177 -0.194 1.00 0.00 N ATOM 1000 CA TRP A 64 7.970 -0.357 -0.877 1.00 0.00 C ATOM 1001 C TRP A 64 7.169 0.473 0.120 1.00 0.00 C ATOM 1002 O TRP A 64 6.485 1.424 -0.256 1.00 0.00 O ATOM 1003 CB TRP A 64 7.027 -1.239 -1.698 1.00 0.00 C ATOM 1004 CG TRP A 64 6.034 -0.458 -2.504 1.00 0.00 C ATOM 1005 CD1 TRP A 64 6.128 -0.130 -3.826 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.798 0.094 -2.039 1.00 0.00 C ATOM 1007 NE1 TRP A 64 5.025 0.593 -4.211 1.00 0.00 N ATOM 1008 CE2 TRP A 64 4.193 0.743 -3.133 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.142 0.102 -0.805 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.966 1.393 -3.028 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.924 0.748 -0.702 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.346 1.385 -1.808 1.00 0.00 C ATOM 0 H TRP A 64 8.897 -2.175 -0.394 1.00 0.00 H new ATOM 0 HA TRP A 64 8.496 0.323 -1.547 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.617 -1.864 -2.368 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.492 -1.910 -1.026 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.949 -0.399 -4.474 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.853 0.959 -5.148 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.579 -0.388 0.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.520 1.886 -3.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.409 0.762 0.247 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.392 1.879 -1.696 1.00 0.00 H new ATOM 1023 N PHE A 65 7.260 0.107 1.395 1.00 0.00 N ATOM 1024 CA PHE A 65 6.543 0.818 2.447 1.00 0.00 C ATOM 1025 C PHE A 65 7.428 1.886 3.082 1.00 0.00 C ATOM 1026 O PHE A 65 7.015 3.035 3.239 1.00 0.00 O ATOM 1027 CB PHE A 65 6.060 -0.163 3.517 1.00 0.00 C ATOM 1028 CG PHE A 65 4.689 -0.716 3.250 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.453 -1.514 2.142 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.636 -0.436 4.106 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.193 -2.023 1.894 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.373 -0.943 3.863 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.152 -1.738 2.755 1.00 0.00 C ATOM 0 H PHE A 65 7.823 -0.677 1.724 1.00 0.00 H new ATOM 0 HA PHE A 65 5.679 1.308 1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.768 -0.988 3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.058 0.339 4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.263 -1.741 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.804 0.186 4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.022 -2.644 1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.561 -0.718 4.538 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.167 -2.136 2.563 1.00 0.00 H new ATOM 1043 N GLN A 66 8.646 1.497 3.446 1.00 0.00 N ATOM 1044 CA GLN A 66 9.589 2.421 4.065 1.00 0.00 C ATOM 1045 C GLN A 66 9.863 3.612 3.153 1.00 0.00 C ATOM 1046 O GLN A 66 10.158 4.710 3.623 1.00 0.00 O ATOM 1047 CB GLN A 66 10.899 1.702 4.392 1.00 0.00 C ATOM 1048 CG GLN A 66 11.874 1.654 3.227 1.00 0.00 C ATOM 1049 CD GLN A 66 13.246 1.156 3.635 1.00 0.00 C ATOM 1050 OE1 GLN A 66 13.607 -0.034 3.168 1.00 0.00 O flip ATOM 1051 NE2 GLN A 66 13.974 1.833 4.361 1.00 0.00 N flip ATOM 0 H GLN A 66 9.003 0.549 3.323 1.00 0.00 H new ATOM 0 HA GLN A 66 9.144 2.790 4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.377 2.201 5.235 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.675 0.684 4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.473 1.005 2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.967 2.650 2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.656 2.742 4.697 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.895 1.485 4.627 1.00 0.00 H new ATOM 1060 N ASN A 67 9.763 3.387 1.847 1.00 0.00 N ATOM 1061 CA ASN A 67 10.001 4.442 0.869 1.00 0.00 C ATOM 1062 C ASN A 67 8.797 5.373 0.770 1.00 0.00 C ATOM 1063 O ASN A 67 8.926 6.591 0.903 1.00 0.00 O ATOM 1064 CB ASN A 67 10.306 3.836 -0.502 1.00 0.00 C ATOM 1065 CG ASN A 67 11.743 3.366 -0.620 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.650 3.954 -0.031 1.00 0.00 O ATOM 1067 ND2 ASN A 67 11.956 2.302 -1.386 1.00 0.00 N ATOM 0 H ASN A 67 9.519 2.483 1.442 1.00 0.00 H new ATOM 0 HA ASN A 67 10.861 5.024 1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.636 2.995 -0.682 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.104 4.576 -1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.902 1.940 -1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.173 1.846 -1.855 1.00 0.00 H new ATOM 1074 N THR A 68 7.624 4.793 0.535 1.00 0.00 N ATOM 1075 CA THR A 68 6.397 5.569 0.418 1.00 0.00 C ATOM 1076 C THR A 68 6.214 6.495 1.615 1.00 0.00 C ATOM 1077 O THR A 68 5.735 7.620 1.475 1.00 0.00 O ATOM 1078 CB THR A 68 5.163 4.655 0.297 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.320 3.765 -0.813 1.00 0.00 O ATOM 1080 CG2 THR A 68 3.895 5.477 0.119 1.00 0.00 C ATOM 0 H THR A 68 7.499 3.787 0.422 1.00 0.00 H new ATOM 0 HA THR A 68 6.488 6.167 -0.489 1.00 0.00 H new ATOM 0 HB THR A 68 5.075 4.077 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.968 3.066 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.037 4.809 0.036 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.763 6.133 0.980 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.976 6.079 -0.786 1.00 0.00 H new ATOM 1088 N ARG A 69 6.600 6.014 2.793 1.00 0.00 N ATOM 1089 CA ARG A 69 6.478 6.798 4.015 1.00 0.00 C ATOM 1090 C ARG A 69 7.419 7.999 3.987 1.00 0.00 C ATOM 1091 O ARG A 69 7.052 9.097 4.404 1.00 0.00 O ATOM 1092 CB ARG A 69 6.781 5.929 5.237 1.00 0.00 C ATOM 1093 CG ARG A 69 5.568 5.186 5.772 1.00 0.00 C ATOM 1094 CD ARG A 69 5.683 4.935 7.268 1.00 0.00 C ATOM 1095 NE ARG A 69 6.901 4.204 7.608 1.00 0.00 N ATOM 1096 CZ ARG A 69 7.379 4.107 8.843 1.00 0.00 C ATOM 1097 NH1 ARG A 69 6.745 4.692 9.850 1.00 0.00 N ATOM 1098 NH2 ARG A 69 8.493 3.424 9.073 1.00 0.00 N ATOM 0 H ARG A 69 7.000 5.085 2.926 1.00 0.00 H new ATOM 0 HA ARG A 69 5.453 7.162 4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.553 5.206 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.189 6.559 6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.667 5.764 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.463 4.235 5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.672 5.888 7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.815 4.371 7.609 1.00 0.00 H new ATOM 0 HE ARG A 69 7.412 3.743 6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.888 5.218 9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.114 4.616 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.983 2.973 8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.859 3.350 10.022 1.00 0.00 H new