USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 LYS NZ :NH3+ -163:sc= 1.51 (180deg=0.487) USER MOD Set 1.2: A 55 SER OG : rot 125:sc= 0.569 USER MOD Set 2.1: A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 48 MET CE :methyl 155:sc= 0 (180deg=-0.29) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 27 GLN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD Single : A 30 MET CE :methyl 164:sc= -0.0328 (180deg=-0.896) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -164:sc= -0.395 (180deg=-1.37) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -0.16 (180deg=-0.81) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 1.05 (180deg=0.97) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.17) USER MOD Single : A 53 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.01) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.939 K(o=0.94,f=-6.2!) USER MOD Single : A 59 TYR OH : rot -10:sc= 1.23 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.414 5.950 13.891 1.00 0.00 N ATOM 331 CA ASP A 23 -14.863 4.642 14.402 1.00 0.00 C ATOM 332 C ASP A 23 -13.816 3.517 14.242 1.00 0.00 C ATOM 333 O ASP A 23 -13.795 2.570 15.029 1.00 0.00 O ATOM 334 CB ASP A 23 -16.182 4.267 13.712 1.00 0.00 C ATOM 335 CG ASP A 23 -16.841 3.037 14.359 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.559 3.203 15.375 1.00 0.00 O ATOM 337 OD2 ASP A 23 -16.660 1.912 13.836 1.00 0.00 O ATOM 0 HA ASP A 23 -15.010 4.744 15.477 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.868 5.112 13.758 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.995 4.065 12.657 1.00 0.00 H new ATOM 342 N THR A 24 -12.891 3.646 13.283 1.00 0.00 N ATOM 343 CA THR A 24 -11.749 2.742 13.049 1.00 0.00 C ATOM 344 C THR A 24 -10.877 2.538 14.300 1.00 0.00 C ATOM 345 O THR A 24 -10.390 1.434 14.545 1.00 0.00 O ATOM 346 CB THR A 24 -10.885 3.252 11.881 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.708 3.725 10.832 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.009 2.148 11.290 1.00 0.00 C ATOM 0 H THR A 24 -12.916 4.418 12.616 1.00 0.00 H new ATOM 0 HA THR A 24 -12.173 1.771 12.794 1.00 0.00 H new ATOM 0 HB THR A 24 -10.257 4.045 12.288 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.147 4.048 10.096 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.417 2.553 10.469 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.343 1.760 12.061 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.641 1.342 10.918 1.00 0.00 H new ATOM 356 N ILE A 25 -10.720 3.581 15.126 1.00 0.00 N ATOM 357 CA ILE A 25 -10.003 3.559 16.416 1.00 0.00 C ATOM 358 C ILE A 25 -10.739 2.700 17.459 1.00 0.00 C ATOM 359 O ILE A 25 -10.105 2.002 18.255 1.00 0.00 O ATOM 360 CB ILE A 25 -9.817 5.015 16.912 1.00 0.00 C ATOM 361 CG1 ILE A 25 -8.858 5.776 15.968 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.318 5.107 18.364 1.00 0.00 C ATOM 363 CD1 ILE A 25 -8.937 7.296 16.109 1.00 0.00 C ATOM 0 H ILE A 25 -11.103 4.501 14.909 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.025 3.100 16.272 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.803 5.479 16.896 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.836 5.454 16.166 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.084 5.503 14.937 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.210 6.154 18.646 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.037 4.625 19.027 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.353 4.607 18.450 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.237 7.763 15.416 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.949 7.630 15.882 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.681 7.580 17.130 1.00 0.00 H new ATOM 375 N PHE A 26 -12.074 2.739 17.456 1.00 0.00 N ATOM 376 CA PHE A 26 -12.937 2.013 18.390 1.00 0.00 C ATOM 377 C PHE A 26 -13.063 0.521 18.028 1.00 0.00 C ATOM 378 O PHE A 26 -12.912 -0.344 18.892 1.00 0.00 O ATOM 379 CB PHE A 26 -14.315 2.697 18.430 1.00 0.00 C ATOM 380 CG PHE A 26 -15.139 2.339 19.653 1.00 0.00 C ATOM 381 CD1 PHE A 26 -15.965 1.197 19.652 1.00 0.00 C ATOM 382 CD2 PHE A 26 -15.071 3.149 20.804 1.00 0.00 C ATOM 383 CE1 PHE A 26 -16.711 0.866 20.798 1.00 0.00 C ATOM 384 CE2 PHE A 26 -15.820 2.819 21.947 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.638 1.675 21.945 1.00 0.00 C ATOM 0 H PHE A 26 -12.600 3.295 16.782 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.483 2.046 19.381 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.175 3.778 18.401 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.873 2.423 17.534 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.025 0.576 18.771 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.441 4.026 20.808 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.341 -0.011 20.796 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.767 3.444 22.826 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.210 1.418 22.824 1.00 0.00 H new ATOM 395 N GLN A 27 -13.340 0.211 16.754 1.00 0.00 N ATOM 396 CA GLN A 27 -13.630 -1.151 16.275 1.00 0.00 C ATOM 397 C GLN A 27 -12.418 -2.109 16.255 1.00 0.00 C ATOM 398 O GLN A 27 -12.615 -3.325 16.209 1.00 0.00 O ATOM 399 CB GLN A 27 -14.303 -1.085 14.887 1.00 0.00 C ATOM 400 CG GLN A 27 -13.331 -0.665 13.769 1.00 0.00 C ATOM 401 CD GLN A 27 -13.971 -0.528 12.389 1.00 0.00 C ATOM 402 OE1 GLN A 27 -13.584 -1.187 11.431 1.00 0.00 O ATOM 403 NE2 GLN A 27 -14.943 0.336 12.207 1.00 0.00 N ATOM 0 H GLN A 27 -13.370 0.911 16.013 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.311 -1.585 17.007 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.725 -2.061 14.647 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.133 -0.379 14.924 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.876 0.288 14.040 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.526 -1.398 13.711 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.281 0.895 12.990 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.360 0.448 11.283 1.00 0.00 H new ATOM 412 N ASN A 28 -11.181 -1.593 16.270 1.00 0.00 N ATOM 413 CA ASN A 28 -9.953 -2.372 16.059 1.00 0.00 C ATOM 414 C ASN A 28 -8.902 -2.093 17.164 1.00 0.00 C ATOM 415 O ASN A 28 -8.159 -1.112 17.068 1.00 0.00 O ATOM 416 CB ASN A 28 -9.444 -2.114 14.624 1.00 0.00 C ATOM 417 CG ASN A 28 -8.701 -3.317 14.073 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.268 -4.169 13.407 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.427 -3.447 14.351 1.00 0.00 N ATOM 0 H ASN A 28 -11.003 -0.602 16.433 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.162 -3.438 16.148 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.287 -1.877 13.975 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.785 -1.245 14.621 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.911 -4.259 14.011 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.951 -2.737 14.907 1.00 0.00 H new ATOM 426 N PRO A 29 -8.808 -2.918 18.229 1.00 0.00 N ATOM 427 CA PRO A 29 -8.063 -2.578 19.451 1.00 0.00 C ATOM 428 C PRO A 29 -6.536 -2.484 19.278 1.00 0.00 C ATOM 429 O PRO A 29 -5.864 -1.847 20.091 1.00 0.00 O ATOM 430 CB PRO A 29 -8.452 -3.650 20.475 1.00 0.00 C ATOM 431 CG PRO A 29 -8.842 -4.850 19.615 1.00 0.00 C ATOM 432 CD PRO A 29 -9.484 -4.198 18.392 1.00 0.00 C ATOM 0 HA PRO A 29 -8.331 -1.571 19.770 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.622 -3.888 21.140 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.280 -3.322 21.103 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.975 -5.452 19.344 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.538 -5.510 20.133 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.362 -4.821 17.506 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.555 -4.059 18.539 1.00 0.00 H new ATOM 440 N MET A 30 -5.982 -3.040 18.192 1.00 0.00 N ATOM 441 CA MET A 30 -4.570 -2.890 17.802 1.00 0.00 C ATOM 442 C MET A 30 -4.140 -1.428 17.594 1.00 0.00 C ATOM 443 O MET A 30 -2.951 -1.122 17.694 1.00 0.00 O ATOM 444 CB MET A 30 -4.310 -3.642 16.492 1.00 0.00 C ATOM 445 CG MET A 30 -4.416 -5.167 16.608 1.00 0.00 C ATOM 446 SD MET A 30 -4.538 -6.035 15.017 1.00 0.00 S ATOM 447 CE MET A 30 -3.255 -5.202 14.042 1.00 0.00 C ATOM 0 H MET A 30 -6.514 -3.621 17.544 1.00 0.00 H new ATOM 0 HA MET A 30 -3.989 -3.298 18.629 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.020 -3.296 15.741 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.314 -3.385 16.131 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.544 -5.540 17.145 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.291 -5.413 17.210 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.020 -5.801 13.162 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.615 -4.222 13.728 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.358 -5.081 14.649 1.00 0.00 H new ATOM 457 N VAL A 31 -5.087 -0.520 17.319 1.00 0.00 N ATOM 458 CA VAL A 31 -4.817 0.916 17.157 1.00 0.00 C ATOM 459 C VAL A 31 -4.140 1.484 18.401 1.00 0.00 C ATOM 460 O VAL A 31 -3.031 2.003 18.316 1.00 0.00 O ATOM 461 CB VAL A 31 -6.100 1.699 16.812 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.869 3.213 16.820 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.594 1.310 15.418 1.00 0.00 C ATOM 0 H VAL A 31 -6.071 -0.764 17.202 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.132 1.032 16.317 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.837 1.446 17.574 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.799 3.724 16.572 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.536 3.525 17.810 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.107 3.469 16.084 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.500 1.869 15.184 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.825 1.542 14.681 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.810 0.242 15.393 1.00 0.00 H new ATOM 473 N GLN A 32 -4.774 1.337 19.563 1.00 0.00 N ATOM 474 CA GLN A 32 -4.303 1.867 20.849 1.00 0.00 C ATOM 475 C GLN A 32 -2.868 1.404 21.173 1.00 0.00 C ATOM 476 O GLN A 32 -2.039 2.195 21.626 1.00 0.00 O ATOM 477 CB GLN A 32 -5.301 1.433 21.936 1.00 0.00 C ATOM 478 CG GLN A 32 -6.696 2.073 21.753 1.00 0.00 C ATOM 479 CD GLN A 32 -7.829 1.169 22.241 1.00 0.00 C ATOM 480 OE1 GLN A 32 -7.824 0.654 23.352 1.00 0.00 O ATOM 481 NE2 GLN A 32 -8.844 0.929 21.434 1.00 0.00 N ATOM 0 H GLN A 32 -5.656 0.831 19.642 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.258 2.955 20.802 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.399 0.347 21.921 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.907 1.704 22.915 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.732 3.018 22.295 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.850 2.304 20.699 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.867 1.349 20.505 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.606 0.324 21.739 1.00 0.00 H new ATOM 490 N GLU A 33 -2.547 0.143 20.869 1.00 0.00 N ATOM 491 CA GLU A 33 -1.205 -0.436 21.008 1.00 0.00 C ATOM 492 C GLU A 33 -0.155 0.213 20.084 1.00 0.00 C ATOM 493 O GLU A 33 0.989 0.400 20.501 1.00 0.00 O ATOM 494 CB GLU A 33 -1.308 -1.953 20.769 1.00 0.00 C ATOM 495 CG GLU A 33 0.010 -2.734 20.872 1.00 0.00 C ATOM 496 CD GLU A 33 0.741 -2.595 22.221 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.117 -2.236 23.249 1.00 0.00 O ATOM 498 OE2 GLU A 33 1.962 -2.867 22.280 1.00 0.00 O ATOM 0 H GLU A 33 -3.231 -0.522 20.509 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.848 -0.233 22.018 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.013 -2.369 21.489 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.730 -2.118 19.778 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.195 -3.790 20.693 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.677 -2.400 20.077 1.00 0.00 H new ATOM 505 N ALA A 34 -0.518 0.599 18.855 1.00 0.00 N ATOM 506 CA ALA A 34 0.375 1.325 17.947 1.00 0.00 C ATOM 507 C ALA A 34 0.746 2.718 18.498 1.00 0.00 C ATOM 508 O ALA A 34 1.935 3.037 18.585 1.00 0.00 O ATOM 509 CB ALA A 34 -0.250 1.393 16.547 1.00 0.00 C ATOM 0 H ALA A 34 -1.441 0.416 18.462 1.00 0.00 H new ATOM 0 HA ALA A 34 1.315 0.778 17.869 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.418 1.934 15.876 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.405 0.383 16.168 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.208 1.911 16.601 1.00 0.00 H new ATOM 515 N ILE A 35 -0.229 3.531 18.937 1.00 0.00 N ATOM 516 CA ILE A 35 0.062 4.819 19.608 1.00 0.00 C ATOM 517 C ILE A 35 0.968 4.619 20.835 1.00 0.00 C ATOM 518 O ILE A 35 1.912 5.386 21.031 1.00 0.00 O ATOM 519 CB ILE A 35 -1.220 5.613 19.970 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.948 6.138 18.708 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.910 6.831 20.863 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.154 5.279 18.340 1.00 0.00 C ATOM 0 H ILE A 35 -1.223 3.325 18.842 1.00 0.00 H new ATOM 0 HA ILE A 35 0.605 5.429 18.885 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.857 4.909 20.506 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.273 7.164 18.879 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.250 6.160 17.871 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.836 7.359 21.093 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.445 6.494 21.789 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.230 7.503 20.339 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.632 5.686 17.449 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.827 4.258 18.142 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.866 5.278 19.166 1.00 0.00 H new ATOM 534 N ARG A 36 0.739 3.563 21.633 1.00 0.00 N ATOM 535 CA ARG A 36 1.544 3.232 22.825 1.00 0.00 C ATOM 536 C ARG A 36 3.044 3.050 22.529 1.00 0.00 C ATOM 537 O ARG A 36 3.869 3.381 23.381 1.00 0.00 O ATOM 538 CB ARG A 36 0.949 1.990 23.514 1.00 0.00 C ATOM 539 CG ARG A 36 1.383 1.862 24.983 1.00 0.00 C ATOM 540 CD ARG A 36 0.895 0.547 25.610 1.00 0.00 C ATOM 541 NE ARG A 36 1.576 -0.625 25.027 1.00 0.00 N ATOM 542 CZ ARG A 36 2.790 -1.076 25.274 1.00 0.00 C ATOM 543 NH1 ARG A 36 3.555 -0.559 26.194 1.00 0.00 N ATOM 544 NH2 ARG A 36 3.267 -2.070 24.588 1.00 0.00 N ATOM 0 H ARG A 36 -0.022 2.904 21.467 1.00 0.00 H new ATOM 0 HA ARG A 36 1.492 4.087 23.499 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.139 2.038 23.464 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.254 1.096 22.970 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.470 1.914 25.047 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.990 2.704 25.553 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.070 0.571 26.686 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.181 0.452 25.464 1.00 0.00 H new ATOM 0 HE ARG A 36 1.037 -1.156 24.343 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.220 0.225 26.755 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.488 -0.938 26.353 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.702 -2.503 23.857 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.206 -2.418 24.780 1.00 0.00 H new ATOM 558 N MET A 37 3.419 2.584 21.330 1.00 0.00 N ATOM 559 CA MET A 37 4.828 2.477 20.905 1.00 0.00 C ATOM 560 C MET A 37 5.478 3.818 20.499 1.00 0.00 C ATOM 561 O MET A 37 6.697 3.876 20.329 1.00 0.00 O ATOM 562 CB MET A 37 4.991 1.480 19.747 1.00 0.00 C ATOM 563 CG MET A 37 4.475 0.069 20.059 1.00 0.00 C ATOM 564 SD MET A 37 5.411 -1.288 19.289 1.00 0.00 S ATOM 565 CE MET A 37 5.643 -0.655 17.603 1.00 0.00 C ATOM 0 H MET A 37 2.755 2.269 20.623 1.00 0.00 H new ATOM 0 HA MET A 37 5.350 2.121 21.793 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.463 1.864 18.874 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.046 1.419 19.480 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.484 -0.073 21.140 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.436 0.000 19.737 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.939 -1.472 16.945 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.709 -0.222 17.245 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.420 0.109 17.605 1.00 0.00 H new ATOM 575 N GLY A 38 4.697 4.894 20.345 1.00 0.00 N ATOM 576 CA GLY A 38 5.161 6.255 20.039 1.00 0.00 C ATOM 577 C GLY A 38 4.623 6.863 18.733 1.00 0.00 C ATOM 578 O GLY A 38 4.909 8.030 18.451 1.00 0.00 O ATOM 0 H GLY A 38 3.682 4.839 20.434 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.882 6.909 20.865 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.250 6.247 19.993 1.00 0.00 H new ATOM 582 N PHE A 39 3.856 6.116 17.931 1.00 0.00 N ATOM 583 CA PHE A 39 3.178 6.638 16.733 1.00 0.00 C ATOM 584 C PHE A 39 2.041 7.629 17.078 1.00 0.00 C ATOM 585 O PHE A 39 1.537 7.664 18.205 1.00 0.00 O ATOM 586 CB PHE A 39 2.626 5.464 15.913 1.00 0.00 C ATOM 587 CG PHE A 39 3.654 4.555 15.256 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.366 4.998 14.125 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.851 3.242 15.725 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.269 4.137 13.476 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.750 2.379 15.073 1.00 0.00 C ATOM 592 CZ PHE A 39 5.459 2.827 13.948 1.00 0.00 C ATOM 0 H PHE A 39 3.685 5.124 18.094 1.00 0.00 H new ATOM 0 HA PHE A 39 3.913 7.193 16.150 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.000 4.856 16.566 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.978 5.866 15.134 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.218 6.002 13.755 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.308 2.895 16.592 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.818 4.483 12.613 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.894 1.373 15.438 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.150 2.166 13.446 1.00 0.00 H new ATOM 602 N SER A 40 1.599 8.420 16.098 1.00 0.00 N ATOM 603 CA SER A 40 0.506 9.403 16.233 1.00 0.00 C ATOM 604 C SER A 40 -0.865 8.789 15.927 1.00 0.00 C ATOM 605 O SER A 40 -1.001 8.042 14.958 1.00 0.00 O ATOM 606 CB SER A 40 0.727 10.563 15.256 1.00 0.00 C ATOM 607 OG SER A 40 2.003 11.153 15.454 1.00 0.00 O ATOM 0 H SER A 40 1.998 8.399 15.160 1.00 0.00 H new ATOM 0 HA SER A 40 0.517 9.748 17.267 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.643 10.202 14.231 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.051 11.314 15.394 1.00 0.00 H new ATOM 0 HG SER A 40 2.125 11.890 14.820 1.00 0.00 H new ATOM 613 N PHE A 41 -1.912 9.173 16.674 1.00 0.00 N ATOM 614 CA PHE A 41 -3.303 8.736 16.445 1.00 0.00 C ATOM 615 C PHE A 41 -3.757 8.908 14.987 1.00 0.00 C ATOM 616 O PHE A 41 -4.300 7.973 14.388 1.00 0.00 O ATOM 617 CB PHE A 41 -4.268 9.473 17.399 1.00 0.00 C ATOM 618 CG PHE A 41 -4.703 8.673 18.613 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.657 7.648 18.465 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.174 8.951 19.887 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.076 6.901 19.581 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.588 8.198 21.003 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.542 7.176 20.851 1.00 0.00 C ATOM 0 H PHE A 41 -1.817 9.806 17.468 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.330 7.667 16.657 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.788 10.390 17.740 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.156 9.767 16.839 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.069 7.434 17.490 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.450 9.743 20.009 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.808 6.116 19.461 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.172 8.406 21.978 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.863 6.604 21.709 1.00 0.00 H new ATOM 633 N LYS A 42 -3.508 10.091 14.407 1.00 0.00 N ATOM 634 CA LYS A 42 -3.891 10.436 13.027 1.00 0.00 C ATOM 635 C LYS A 42 -3.233 9.554 11.960 1.00 0.00 C ATOM 636 O LYS A 42 -3.830 9.333 10.912 1.00 0.00 O ATOM 637 CB LYS A 42 -3.690 11.944 12.778 1.00 0.00 C ATOM 638 CG LYS A 42 -2.234 12.408 12.572 1.00 0.00 C ATOM 639 CD LYS A 42 -1.711 12.362 11.122 1.00 0.00 C ATOM 640 CE LYS A 42 -2.097 13.578 10.263 1.00 0.00 C ATOM 641 NZ LYS A 42 -3.518 13.588 9.827 1.00 0.00 N ATOM 0 H LYS A 42 -3.027 10.849 14.891 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.954 10.217 12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.268 12.227 11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.108 12.490 13.623 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.144 13.431 12.938 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.585 11.789 13.192 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.624 12.280 11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.089 11.460 10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.896 14.487 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.457 13.603 9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.622 14.203 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.813 12.621 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.116 13.946 10.599 1.00 0.00 H new ATOM 655 N ASP A 43 -2.031 9.029 12.210 1.00 0.00 N ATOM 656 CA ASP A 43 -1.356 8.105 11.289 1.00 0.00 C ATOM 657 C ASP A 43 -1.969 6.700 11.336 1.00 0.00 C ATOM 658 O ASP A 43 -2.121 6.073 10.286 1.00 0.00 O ATOM 659 CB ASP A 43 0.153 8.045 11.574 1.00 0.00 C ATOM 660 CG ASP A 43 0.886 9.278 11.018 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.877 9.477 9.780 1.00 0.00 O ATOM 662 OD2 ASP A 43 1.482 10.041 11.811 1.00 0.00 O ATOM 0 H ASP A 43 -1.497 9.231 13.055 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.503 8.495 10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.318 7.978 12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.572 7.142 11.130 1.00 0.00 H new ATOM 667 N ILE A 44 -2.374 6.206 12.516 1.00 0.00 N ATOM 668 CA ILE A 44 -2.965 4.864 12.629 1.00 0.00 C ATOM 669 C ILE A 44 -4.331 4.802 11.942 1.00 0.00 C ATOM 670 O ILE A 44 -4.573 3.916 11.119 1.00 0.00 O ATOM 671 CB ILE A 44 -3.092 4.348 14.077 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.964 4.738 15.047 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.207 2.813 14.011 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.543 4.477 14.558 1.00 0.00 C ATOM 0 H ILE A 44 -2.304 6.711 13.399 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.261 4.204 12.122 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.974 4.834 14.495 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.059 5.799 15.276 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.111 4.196 15.981 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.299 2.411 15.020 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.087 2.539 13.430 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.316 2.401 13.536 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.168 4.790 15.322 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.416 3.413 14.359 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.364 5.041 13.643 1.00 0.00 H new ATOM 686 N LYS A 45 -5.226 5.762 12.229 1.00 0.00 N ATOM 687 CA LYS A 45 -6.525 5.860 11.536 1.00 0.00 C ATOM 688 C LYS A 45 -6.349 5.976 10.019 1.00 0.00 C ATOM 689 O LYS A 45 -7.067 5.303 9.280 1.00 0.00 O ATOM 690 CB LYS A 45 -7.423 6.957 12.151 1.00 0.00 C ATOM 691 CG LYS A 45 -6.906 8.407 12.059 1.00 0.00 C ATOM 692 CD LYS A 45 -7.249 9.189 10.778 1.00 0.00 C ATOM 693 CE LYS A 45 -8.726 9.558 10.749 1.00 0.00 C ATOM 694 NZ LYS A 45 -9.173 9.994 9.407 1.00 0.00 N ATOM 0 H LYS A 45 -5.075 6.482 12.936 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.063 4.926 11.696 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.397 6.912 11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.580 6.718 13.203 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.299 8.962 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.821 8.388 12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.643 10.093 10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.002 8.588 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.318 8.699 11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.912 10.356 11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.124 10.408 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.512 10.705 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.198 9.175 8.766 1.00 0.00 H new ATOM 708 N LYS A 46 -5.363 6.761 9.556 1.00 0.00 N ATOM 709 CA LYS A 46 -5.060 6.976 8.130 1.00 0.00 C ATOM 710 C LYS A 46 -4.573 5.698 7.452 1.00 0.00 C ATOM 711 O LYS A 46 -5.077 5.343 6.388 1.00 0.00 O ATOM 712 CB LYS A 46 -4.052 8.128 7.968 1.00 0.00 C ATOM 713 CG LYS A 46 -3.712 8.487 6.510 1.00 0.00 C ATOM 714 CD LYS A 46 -4.910 8.991 5.684 1.00 0.00 C ATOM 715 CE LYS A 46 -5.300 8.012 4.571 1.00 0.00 C ATOM 716 NZ LYS A 46 -6.498 8.469 3.829 1.00 0.00 N ATOM 0 H LYS A 46 -4.739 7.276 10.177 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.985 7.258 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.451 9.014 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.131 7.862 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.937 9.253 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.292 7.608 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.764 9.147 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.665 9.958 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.466 7.898 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.493 7.030 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.536 7.994 2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.353 8.236 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.447 9.498 3.688 1.00 0.00 H new ATOM 730 N ILE A 47 -3.614 4.989 8.046 1.00 0.00 N ATOM 731 CA ILE A 47 -3.123 3.749 7.441 1.00 0.00 C ATOM 732 C ILE A 47 -4.182 2.638 7.452 1.00 0.00 C ATOM 733 O ILE A 47 -4.251 1.876 6.492 1.00 0.00 O ATOM 734 CB ILE A 47 -1.765 3.327 8.036 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.013 2.490 6.985 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.885 2.595 9.384 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.455 2.269 7.339 1.00 0.00 C ATOM 0 H ILE A 47 -3.168 5.244 8.927 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.934 3.946 6.386 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.197 4.228 8.268 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.505 1.523 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.077 2.989 6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.891 2.328 9.743 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.370 3.247 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.479 1.690 9.255 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.931 1.673 6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.959 3.232 7.418 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.524 1.744 8.292 1.00 0.00 H new ATOM 749 N MET A 48 -5.057 2.571 8.465 1.00 0.00 N ATOM 750 CA MET A 48 -6.178 1.622 8.492 1.00 0.00 C ATOM 751 C MET A 48 -7.258 1.929 7.450 1.00 0.00 C ATOM 752 O MET A 48 -7.619 1.032 6.689 1.00 0.00 O ATOM 753 CB MET A 48 -6.797 1.515 9.888 1.00 0.00 C ATOM 754 CG MET A 48 -5.885 0.713 10.811 1.00 0.00 C ATOM 755 SD MET A 48 -6.694 0.120 12.313 1.00 0.00 S ATOM 756 CE MET A 48 -5.448 -1.090 12.823 1.00 0.00 C ATOM 0 H MET A 48 -5.008 3.172 9.287 1.00 0.00 H new ATOM 0 HA MET A 48 -5.747 0.656 8.227 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.957 2.511 10.300 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.774 1.036 9.824 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.491 -0.142 10.262 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.033 1.333 11.090 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.510 -1.244 13.900 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.627 -2.035 12.310 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.455 -0.720 12.566 1.00 0.00 H new ATOM 766 N GLU A 49 -7.775 3.161 7.367 1.00 0.00 N ATOM 767 CA GLU A 49 -8.764 3.507 6.329 1.00 0.00 C ATOM 768 C GLU A 49 -8.217 3.266 4.909 1.00 0.00 C ATOM 769 O GLU A 49 -8.938 2.769 4.045 1.00 0.00 O ATOM 770 CB GLU A 49 -9.292 4.940 6.502 1.00 0.00 C ATOM 771 CG GLU A 49 -8.258 6.024 6.199 1.00 0.00 C ATOM 772 CD GLU A 49 -8.784 7.449 6.457 1.00 0.00 C ATOM 773 OE1 GLU A 49 -9.233 7.776 7.584 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.687 8.279 5.521 1.00 0.00 O ATOM 0 H GLU A 49 -7.532 3.928 7.994 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.612 2.834 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.153 5.080 5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.645 5.065 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.372 5.854 6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.947 5.941 5.158 1.00 0.00 H new ATOM 781 N GLU A 50 -6.929 3.551 4.681 1.00 0.00 N ATOM 782 CA GLU A 50 -6.228 3.262 3.430 1.00 0.00 C ATOM 783 C GLU A 50 -6.118 1.747 3.184 1.00 0.00 C ATOM 784 O GLU A 50 -6.553 1.268 2.136 1.00 0.00 O ATOM 785 CB GLU A 50 -4.853 3.946 3.449 1.00 0.00 C ATOM 786 CG GLU A 50 -4.136 3.896 2.092 1.00 0.00 C ATOM 787 CD GLU A 50 -2.752 3.228 2.202 1.00 0.00 C ATOM 788 OE1 GLU A 50 -1.764 3.929 2.533 1.00 0.00 O ATOM 789 OE2 GLU A 50 -2.640 2.007 1.945 1.00 0.00 O ATOM 0 H GLU A 50 -6.335 3.999 5.378 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.803 3.665 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.976 4.986 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.226 3.468 4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.749 3.347 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.022 4.908 1.704 1.00 0.00 H new ATOM 796 N LYS A 51 -5.601 0.980 4.153 1.00 0.00 N ATOM 797 CA LYS A 51 -5.476 -0.487 4.101 1.00 0.00 C ATOM 798 C LYS A 51 -6.800 -1.156 3.737 1.00 0.00 C ATOM 799 O LYS A 51 -6.834 -1.938 2.792 1.00 0.00 O ATOM 800 CB LYS A 51 -4.909 -1.006 5.436 1.00 0.00 C ATOM 801 CG LYS A 51 -4.828 -2.535 5.572 1.00 0.00 C ATOM 802 CD LYS A 51 -3.864 -3.209 4.583 1.00 0.00 C ATOM 803 CE LYS A 51 -3.654 -4.696 4.915 1.00 0.00 C ATOM 804 NZ LYS A 51 -4.813 -5.551 4.543 1.00 0.00 N ATOM 0 H LYS A 51 -5.246 1.374 5.024 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.778 -0.751 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.909 -0.593 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.525 -0.619 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.519 -2.782 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.825 -2.954 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.257 -3.114 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.904 -2.693 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.765 -5.055 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.463 -4.799 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.744 -6.464 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.697 -5.076 4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.810 -5.712 3.516 1.00 0.00 H new ATOM 818 N ILE A 52 -7.886 -0.840 4.442 1.00 0.00 N ATOM 819 CA ILE A 52 -9.226 -1.384 4.161 1.00 0.00 C ATOM 820 C ILE A 52 -9.671 -1.020 2.734 1.00 0.00 C ATOM 821 O ILE A 52 -10.081 -1.902 1.979 1.00 0.00 O ATOM 822 CB ILE A 52 -10.251 -0.912 5.218 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.858 -1.359 6.646 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.648 -1.477 4.894 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.559 -0.543 7.740 1.00 0.00 C ATOM 0 H ILE A 52 -7.867 -0.195 5.232 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.175 -2.471 4.224 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.263 0.177 5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.104 -2.413 6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.779 -1.267 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.361 -1.138 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.963 -1.127 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.609 -2.566 4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.244 -0.902 8.720 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.293 0.509 7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.639 -0.655 7.642 1.00 0.00 H new ATOM 837 N GLN A 53 -9.569 0.254 2.340 1.00 0.00 N ATOM 838 CA GLN A 53 -10.000 0.749 1.026 1.00 0.00 C ATOM 839 C GLN A 53 -9.232 0.117 -0.156 1.00 0.00 C ATOM 840 O GLN A 53 -9.833 -0.167 -1.194 1.00 0.00 O ATOM 841 CB GLN A 53 -9.879 2.284 1.019 1.00 0.00 C ATOM 842 CG GLN A 53 -10.458 2.972 -0.227 1.00 0.00 C ATOM 843 CD GLN A 53 -11.967 2.772 -0.360 1.00 0.00 C ATOM 844 OE1 GLN A 53 -12.773 3.445 0.271 1.00 0.00 O ATOM 845 NE2 GLN A 53 -12.414 1.840 -1.175 1.00 0.00 N ATOM 0 H GLN A 53 -9.178 0.984 2.935 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.037 0.450 0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.383 2.678 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.826 2.552 1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.239 4.039 -0.183 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.964 2.581 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.757 1.271 -1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.418 1.687 -1.274 1.00 0.00 H new ATOM 854 N ILE A 54 -7.920 -0.099 -0.010 1.00 0.00 N ATOM 855 CA ILE A 54 -7.024 -0.651 -1.044 1.00 0.00 C ATOM 856 C ILE A 54 -7.035 -2.192 -1.050 1.00 0.00 C ATOM 857 O ILE A 54 -7.231 -2.807 -2.101 1.00 0.00 O ATOM 858 CB ILE A 54 -5.596 -0.080 -0.845 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.536 1.461 -1.017 1.00 0.00 C ATOM 860 CG2 ILE A 54 -4.563 -0.744 -1.773 1.00 0.00 C ATOM 861 CD1 ILE A 54 -5.800 1.997 -2.430 1.00 0.00 C ATOM 0 H ILE A 54 -7.431 0.112 0.860 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.388 -0.345 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.337 -0.317 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.262 1.910 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.551 1.803 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.580 -0.309 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.528 -1.815 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.849 -0.580 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.731 3.085 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.059 1.589 -3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.797 1.698 -2.752 1.00 0.00 H new ATOM 873 N SER A 55 -6.808 -2.826 0.105 1.00 0.00 N ATOM 874 CA SER A 55 -6.607 -4.280 0.261 1.00 0.00 C ATOM 875 C SER A 55 -7.906 -5.080 0.449 1.00 0.00 C ATOM 876 O SER A 55 -7.944 -6.269 0.126 1.00 0.00 O ATOM 877 CB SER A 55 -5.712 -4.506 1.486 1.00 0.00 C ATOM 878 OG SER A 55 -5.231 -5.834 1.606 1.00 0.00 O ATOM 0 H SER A 55 -6.756 -2.327 0.993 1.00 0.00 H new ATOM 0 HA SER A 55 -6.156 -4.640 -0.664 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.862 -3.825 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.272 -4.250 2.386 1.00 0.00 H new ATOM 0 HG SER A 55 -4.253 -5.824 1.664 1.00 0.00 H new ATOM 884 N GLY A 56 -8.963 -4.466 0.987 1.00 0.00 N ATOM 885 CA GLY A 56 -10.263 -5.092 1.274 1.00 0.00 C ATOM 886 C GLY A 56 -10.441 -5.632 2.705 1.00 0.00 C ATOM 887 O GLY A 56 -11.545 -6.043 3.063 1.00 0.00 O ATOM 0 H GLY A 56 -8.939 -3.480 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.048 -4.361 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.413 -5.914 0.574 1.00 0.00 H new ATOM 891 N SER A 57 -9.391 -5.624 3.535 1.00 0.00 N ATOM 892 CA SER A 57 -9.398 -6.070 4.940 1.00 0.00 C ATOM 893 C SER A 57 -8.473 -5.212 5.811 1.00 0.00 C ATOM 894 O SER A 57 -7.440 -4.736 5.333 1.00 0.00 O ATOM 895 CB SER A 57 -8.966 -7.542 5.032 1.00 0.00 C ATOM 896 OG SER A 57 -7.656 -7.737 4.512 1.00 0.00 O ATOM 0 H SER A 57 -8.473 -5.293 3.237 1.00 0.00 H new ATOM 0 HA SER A 57 -10.417 -5.960 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.997 -7.867 6.072 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.673 -8.164 4.483 1.00 0.00 H new ATOM 0 HG SER A 57 -7.412 -8.683 4.587 1.00 0.00 H new ATOM 902 N ASN A 58 -8.813 -5.020 7.091 1.00 0.00 N ATOM 903 CA ASN A 58 -7.943 -4.345 8.062 1.00 0.00 C ATOM 904 C ASN A 58 -6.811 -5.275 8.566 1.00 0.00 C ATOM 905 O ASN A 58 -6.844 -6.493 8.357 1.00 0.00 O ATOM 906 CB ASN A 58 -8.806 -3.804 9.225 1.00 0.00 C ATOM 907 CG ASN A 58 -8.167 -2.630 9.958 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.058 -2.202 9.674 1.00 0.00 O ATOM 909 ND2 ASN A 58 -8.853 -2.050 10.911 1.00 0.00 N ATOM 0 H ASN A 58 -9.702 -5.329 7.484 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.447 -3.507 7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.776 -3.495 8.835 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.991 -4.609 9.936 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.461 -1.250 11.407 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.780 -2.398 11.157 1.00 0.00 H new ATOM 916 N TYR A 59 -5.817 -4.717 9.258 1.00 0.00 N ATOM 917 CA TYR A 59 -4.724 -5.457 9.897 1.00 0.00 C ATOM 918 C TYR A 59 -5.220 -6.367 11.040 1.00 0.00 C ATOM 919 O TYR A 59 -6.080 -5.970 11.833 1.00 0.00 O ATOM 920 CB TYR A 59 -3.687 -4.453 10.423 1.00 0.00 C ATOM 921 CG TYR A 59 -3.080 -3.559 9.357 1.00 0.00 C ATOM 922 CD1 TYR A 59 -2.232 -4.115 8.383 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.359 -2.178 9.336 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.635 -3.292 7.411 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.773 -1.352 8.357 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.896 -1.906 7.401 1.00 0.00 C ATOM 927 OH TYR A 59 -1.333 -1.116 6.450 1.00 0.00 O ATOM 0 H TYR A 59 -5.747 -3.709 9.394 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.273 -6.112 9.151 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.158 -3.826 11.180 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.886 -5.003 10.918 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.038 -5.177 8.381 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.024 -1.752 10.073 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.976 -3.722 6.671 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.995 -0.295 8.338 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.658 -1.628 5.957 1.00 0.00 H new ATOM 937 N LYS A 60 -4.637 -7.572 11.149 1.00 0.00 N ATOM 938 CA LYS A 60 -4.946 -8.603 12.169 1.00 0.00 C ATOM 939 C LYS A 60 -3.800 -8.909 13.147 1.00 0.00 C ATOM 940 O LYS A 60 -4.035 -9.555 14.171 1.00 0.00 O ATOM 941 CB LYS A 60 -5.384 -9.905 11.473 1.00 0.00 C ATOM 942 CG LYS A 60 -6.761 -9.805 10.798 1.00 0.00 C ATOM 943 CD LYS A 60 -7.132 -11.093 10.040 1.00 0.00 C ATOM 944 CE LYS A 60 -7.169 -12.370 10.898 1.00 0.00 C ATOM 945 NZ LYS A 60 -8.271 -12.359 11.894 1.00 0.00 N ATOM 0 H LYS A 60 -3.906 -7.873 10.504 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.750 -8.184 12.774 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.640 -10.176 10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.405 -10.711 12.207 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.520 -9.598 11.553 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.764 -8.964 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.110 -10.955 9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.416 -11.239 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.282 -13.237 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.217 -12.482 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.250 -13.241 12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.152 -11.548 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.183 -12.280 11.401 1.00 0.00 H new ATOM 959 N SER A 61 -2.580 -8.454 12.852 1.00 0.00 N ATOM 960 CA SER A 61 -1.376 -8.633 13.682 1.00 0.00 C ATOM 961 C SER A 61 -0.595 -7.324 13.800 1.00 0.00 C ATOM 962 O SER A 61 -0.539 -6.542 12.848 1.00 0.00 O ATOM 963 CB SER A 61 -0.458 -9.713 13.086 1.00 0.00 C ATOM 964 OG SER A 61 -1.113 -10.969 13.002 1.00 0.00 O ATOM 0 H SER A 61 -2.392 -7.930 11.997 1.00 0.00 H new ATOM 0 HA SER A 61 -1.706 -8.945 14.673 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.131 -9.406 12.093 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.437 -9.810 13.700 1.00 0.00 H new ATOM 0 HG SER A 61 -0.502 -11.632 12.617 1.00 0.00 H new ATOM 970 N LEU A 62 0.038 -7.088 14.953 1.00 0.00 N ATOM 971 CA LEU A 62 0.831 -5.877 15.204 1.00 0.00 C ATOM 972 C LEU A 62 2.003 -5.742 14.221 1.00 0.00 C ATOM 973 O LEU A 62 2.262 -4.646 13.739 1.00 0.00 O ATOM 974 CB LEU A 62 1.341 -5.866 16.657 1.00 0.00 C ATOM 975 CG LEU A 62 0.242 -5.847 17.737 1.00 0.00 C ATOM 976 CD1 LEU A 62 0.889 -5.942 19.117 1.00 0.00 C ATOM 977 CD2 LEU A 62 -0.614 -4.578 17.684 1.00 0.00 C ATOM 0 H LEU A 62 0.016 -7.733 15.743 1.00 0.00 H new ATOM 0 HA LEU A 62 0.178 -5.018 15.048 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.966 -6.745 16.813 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.979 -4.993 16.795 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.411 -6.699 17.547 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.114 -5.929 19.884 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.456 -6.870 19.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.559 -5.095 19.264 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.372 -4.617 18.466 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.020 -3.705 17.837 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.100 -4.507 16.711 1.00 0.00 H new ATOM 989 N GLU A 63 2.670 -6.850 13.882 1.00 0.00 N ATOM 990 CA GLU A 63 3.824 -6.899 12.968 1.00 0.00 C ATOM 991 C GLU A 63 3.549 -6.209 11.623 1.00 0.00 C ATOM 992 O GLU A 63 4.263 -5.278 11.248 1.00 0.00 O ATOM 993 CB GLU A 63 4.255 -8.357 12.730 1.00 0.00 C ATOM 994 CG GLU A 63 4.838 -9.018 13.984 1.00 0.00 C ATOM 995 CD GLU A 63 5.299 -10.457 13.677 1.00 0.00 C ATOM 996 OE1 GLU A 63 6.476 -10.655 13.286 1.00 0.00 O ATOM 997 OE2 GLU A 63 4.489 -11.406 13.828 1.00 0.00 O ATOM 0 H GLU A 63 2.416 -7.768 14.246 1.00 0.00 H new ATOM 0 HA GLU A 63 4.631 -6.349 13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.396 -8.933 12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.997 -8.386 11.932 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.680 -8.432 14.352 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.089 -9.032 14.776 1.00 0.00 H new ATOM 1004 N VAL A 64 2.507 -6.642 10.898 1.00 0.00 N ATOM 1005 CA VAL A 64 2.117 -6.048 9.608 1.00 0.00 C ATOM 1006 C VAL A 64 1.675 -4.584 9.756 1.00 0.00 C ATOM 1007 O VAL A 64 2.024 -3.761 8.910 1.00 0.00 O ATOM 1008 CB VAL A 64 1.074 -6.924 8.881 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -0.240 -7.111 9.650 1.00 0.00 C ATOM 1010 CG2 VAL A 64 0.769 -6.398 7.475 1.00 0.00 C ATOM 0 H VAL A 64 1.909 -7.415 11.189 1.00 0.00 H new ATOM 0 HA VAL A 64 3.002 -6.025 8.972 1.00 0.00 H new ATOM 0 HB VAL A 64 1.546 -7.904 8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.916 -7.738 9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.036 -7.588 10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.704 -6.139 9.820 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.031 -7.042 6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.375 -5.384 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.684 -6.393 6.882 1.00 0.00 H new ATOM 1020 N LEU A 65 0.988 -4.237 10.853 1.00 0.00 N ATOM 1021 CA LEU A 65 0.572 -2.866 11.169 1.00 0.00 C ATOM 1022 C LEU A 65 1.796 -1.931 11.280 1.00 0.00 C ATOM 1023 O LEU A 65 1.889 -0.936 10.564 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.257 -2.867 12.475 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.456 -1.900 12.527 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.822 -1.661 13.997 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.259 -0.535 11.876 1.00 0.00 C ATOM 0 H LEU A 65 0.701 -4.915 11.558 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.052 -2.485 10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.626 -3.878 12.644 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.410 -2.629 13.303 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.235 -2.394 11.947 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.670 -0.978 14.055 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.087 -2.609 14.465 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.969 -1.226 14.518 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.172 0.052 11.978 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.436 -0.014 12.365 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.029 -0.666 10.819 1.00 0.00 H new ATOM 1039 N VAL A 66 2.749 -2.256 12.164 1.00 0.00 N ATOM 1040 CA VAL A 66 3.918 -1.409 12.471 1.00 0.00 C ATOM 1041 C VAL A 66 4.947 -1.381 11.339 1.00 0.00 C ATOM 1042 O VAL A 66 5.543 -0.332 11.091 1.00 0.00 O ATOM 1043 CB VAL A 66 4.571 -1.751 13.826 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.529 -1.694 14.955 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.298 -3.100 13.853 1.00 0.00 C ATOM 0 H VAL A 66 2.733 -3.126 12.696 1.00 0.00 H new ATOM 0 HA VAL A 66 3.523 -0.397 12.561 1.00 0.00 H new ATOM 0 HB VAL A 66 5.337 -0.991 13.981 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.007 -1.938 15.904 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.106 -0.691 15.009 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.735 -2.413 14.754 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.728 -3.262 14.841 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.591 -3.899 13.629 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.093 -3.100 13.107 1.00 0.00 H new ATOM 1055 N ALA A 67 5.110 -2.485 10.602 1.00 0.00 N ATOM 1056 CA ALA A 67 5.914 -2.534 9.381 1.00 0.00 C ATOM 1057 C ALA A 67 5.362 -1.581 8.306 1.00 0.00 C ATOM 1058 O ALA A 67 6.109 -0.780 7.740 1.00 0.00 O ATOM 1059 CB ALA A 67 5.974 -3.979 8.875 1.00 0.00 C ATOM 0 H ALA A 67 4.681 -3.379 10.841 1.00 0.00 H new ATOM 0 HA ALA A 67 6.925 -2.196 9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.572 -4.021 7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.428 -4.613 9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.965 -4.332 8.663 1.00 0.00 H new ATOM 1065 N ASP A 68 4.052 -1.622 8.049 1.00 0.00 N ATOM 1066 CA ASP A 68 3.403 -0.704 7.113 1.00 0.00 C ATOM 1067 C ASP A 68 3.452 0.755 7.602 1.00 0.00 C ATOM 1068 O ASP A 68 3.694 1.641 6.787 1.00 0.00 O ATOM 1069 CB ASP A 68 1.963 -1.150 6.811 1.00 0.00 C ATOM 1070 CG ASP A 68 1.851 -2.285 5.772 1.00 0.00 C ATOM 1071 OD1 ASP A 68 2.852 -2.980 5.463 1.00 0.00 O ATOM 1072 OD2 ASP A 68 0.741 -2.451 5.212 1.00 0.00 O ATOM 0 H ASP A 68 3.415 -2.290 8.483 1.00 0.00 H new ATOM 0 HA ASP A 68 3.968 -0.741 6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.495 -1.477 7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.397 -0.290 6.454 1.00 0.00 H new ATOM 1077 N LEU A 69 3.299 1.026 8.907 1.00 0.00 N ATOM 1078 CA LEU A 69 3.446 2.370 9.491 1.00 0.00 C ATOM 1079 C LEU A 69 4.819 2.989 9.196 1.00 0.00 C ATOM 1080 O LEU A 69 4.876 4.097 8.657 1.00 0.00 O ATOM 1081 CB LEU A 69 3.179 2.347 11.007 1.00 0.00 C ATOM 1082 CG LEU A 69 1.691 2.342 11.392 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.530 1.932 12.855 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.064 3.731 11.231 1.00 0.00 C ATOM 0 H LEU A 69 3.067 0.310 9.596 1.00 0.00 H new ATOM 0 HA LEU A 69 2.697 3.002 9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.655 1.464 11.434 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.656 3.216 11.460 1.00 0.00 H new ATOM 0 HG LEU A 69 1.191 1.636 10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.472 1.931 13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.941 0.933 13.000 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.062 2.639 13.492 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.012 3.690 11.512 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.584 4.442 11.874 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.150 4.051 10.193 1.00 0.00 H new ATOM 1096 N VAL A 70 5.923 2.298 9.522 1.00 0.00 N ATOM 1097 CA VAL A 70 7.273 2.816 9.218 1.00 0.00 C ATOM 1098 C VAL A 70 7.509 2.961 7.710 1.00 0.00 C ATOM 1099 O VAL A 70 8.071 3.965 7.277 1.00 0.00 O ATOM 1100 CB VAL A 70 8.424 2.047 9.896 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.272 2.075 11.420 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.587 0.590 9.454 1.00 0.00 C ATOM 0 H VAL A 70 5.913 1.392 9.990 1.00 0.00 H new ATOM 0 HA VAL A 70 7.290 3.811 9.663 1.00 0.00 H new ATOM 0 HB VAL A 70 9.322 2.574 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.095 1.526 11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.286 3.108 11.768 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.326 1.611 11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.423 0.139 9.989 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.674 0.038 9.676 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.781 0.555 8.382 1.00 0.00 H new ATOM 1112 N ASN A 71 7.030 2.017 6.893 1.00 0.00 N ATOM 1113 CA ASN A 71 7.115 2.083 5.432 1.00 0.00 C ATOM 1114 C ASN A 71 6.349 3.290 4.846 1.00 0.00 C ATOM 1115 O ASN A 71 6.850 3.963 3.945 1.00 0.00 O ATOM 1116 CB ASN A 71 6.610 0.751 4.857 1.00 0.00 C ATOM 1117 CG ASN A 71 6.745 0.690 3.345 1.00 0.00 C ATOM 1118 OD1 ASN A 71 7.837 0.664 2.795 1.00 0.00 O ATOM 1119 ND2 ASN A 71 5.648 0.665 2.621 1.00 0.00 N ATOM 0 H ASN A 71 6.566 1.175 7.233 1.00 0.00 H new ATOM 0 HA ASN A 71 8.155 2.237 5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.170 -0.071 5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.565 0.611 5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.709 0.624 1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.736 0.687 3.077 1.00 0.00 H new ATOM 1126 N ALA A 72 5.153 3.585 5.363 1.00 0.00 N ATOM 1127 CA ALA A 72 4.331 4.724 4.962 1.00 0.00 C ATOM 1128 C ALA A 72 4.983 6.068 5.331 1.00 0.00 C ATOM 1129 O ALA A 72 5.172 6.916 4.460 1.00 0.00 O ATOM 1130 CB ALA A 72 2.936 4.576 5.582 1.00 0.00 C ATOM 0 H ALA A 72 4.720 3.020 6.093 1.00 0.00 H new ATOM 0 HA ALA A 72 4.240 4.727 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.315 5.422 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.478 3.651 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.022 4.549 6.668 1.00 0.00 H new ATOM 1136 N GLN A 73 5.346 6.280 6.604 1.00 0.00 N ATOM 1137 CA GLN A 73 5.883 7.572 7.069 1.00 0.00 C ATOM 1138 C GLN A 73 7.262 7.940 6.472 1.00 0.00 C ATOM 1139 O GLN A 73 7.615 9.122 6.432 1.00 0.00 O ATOM 1140 CB GLN A 73 5.869 7.635 8.605 1.00 0.00 C ATOM 1141 CG GLN A 73 6.972 6.797 9.271 1.00 0.00 C ATOM 1142 CD GLN A 73 6.858 6.720 10.796 1.00 0.00 C ATOM 1143 OE1 GLN A 73 5.858 7.062 11.415 1.00 0.00 O ATOM 1144 NE2 GLN A 73 7.894 6.268 11.473 1.00 0.00 N ATOM 0 H GLN A 73 5.278 5.572 7.335 1.00 0.00 H new ATOM 0 HA GLN A 73 5.215 8.343 6.685 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.976 8.674 8.918 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.899 7.293 8.964 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.943 5.787 8.863 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.943 7.219 9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.738 5.977 10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.852 6.209 12.490 1.00 0.00 H new