USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 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 28 ASN : amide:sc=-0.00691 X(o=0.13,f=0.01) USER MOD Set 1.2: A 48 MET CE :methyl -176:sc= -0.106 (180deg=-0.108) USER MOD Set 1.3: A 58 ASN : amide:sc= 0.244 K(o=0.13,f=-6.1!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -165:sc= 1.41 (180deg=0.367) USER MOD Set 2.2: A 55 SER OG : rot -16:sc= 0.52 USER MOD Single : A 24 THR OG1 : rot 180:sc=0.000169 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 163:sc=-0.00622 (180deg=-0.477) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -166:sc= -0.24 (180deg=-0.998) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.15) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 1.31 (180deg=1.1) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -7:sc= 0.598 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= -0.0593 X(o=-0.059,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.025 5.988 13.378 1.00 0.00 N ATOM 331 CA ASP A 23 -14.636 4.811 14.006 1.00 0.00 C ATOM 332 C ASP A 23 -13.627 3.672 14.243 1.00 0.00 C ATOM 333 O ASP A 23 -13.688 3.000 15.273 1.00 0.00 O ATOM 334 CB ASP A 23 -15.799 4.324 13.129 1.00 0.00 C ATOM 335 CG ASP A 23 -16.929 5.362 13.035 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.774 5.427 13.961 1.00 0.00 O ATOM 337 OD2 ASP A 23 -16.979 6.115 12.033 1.00 0.00 O ATOM 0 HA ASP A 23 -15.002 5.107 14.989 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.429 4.101 12.128 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.195 3.394 13.537 1.00 0.00 H new ATOM 342 N THR A 24 -12.673 3.461 13.329 1.00 0.00 N ATOM 343 CA THR A 24 -11.726 2.330 13.377 1.00 0.00 C ATOM 344 C THR A 24 -10.796 2.363 14.597 1.00 0.00 C ATOM 345 O THR A 24 -10.391 1.307 15.081 1.00 0.00 O ATOM 346 CB THR A 24 -10.889 2.211 12.088 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.661 2.501 10.943 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.350 0.789 11.897 1.00 0.00 C ATOM 0 H THR A 24 -12.531 4.074 12.526 1.00 0.00 H new ATOM 0 HA THR A 24 -12.357 1.446 13.469 1.00 0.00 H new ATOM 0 HB THR A 24 -10.072 2.924 12.198 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.102 2.419 10.142 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.765 0.742 10.979 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.718 0.523 12.744 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.184 0.090 11.832 1.00 0.00 H new ATOM 356 N ILE A 25 -10.521 3.552 15.156 1.00 0.00 N ATOM 357 CA ILE A 25 -9.811 3.727 16.437 1.00 0.00 C ATOM 358 C ILE A 25 -10.507 2.953 17.568 1.00 0.00 C ATOM 359 O ILE A 25 -9.844 2.282 18.362 1.00 0.00 O ATOM 360 CB ILE A 25 -9.661 5.237 16.766 1.00 0.00 C ATOM 361 CG1 ILE A 25 -8.624 5.904 15.831 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.263 5.466 18.237 1.00 0.00 C ATOM 363 CD1 ILE A 25 -8.706 7.433 15.796 1.00 0.00 C ATOM 0 H ILE A 25 -10.790 4.436 14.724 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.809 3.308 16.342 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.636 5.697 16.604 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.623 5.612 16.149 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.762 5.520 14.820 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.168 6.535 18.426 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.029 5.048 18.890 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.310 4.977 18.436 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.947 7.823 15.118 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.693 7.737 15.448 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.537 7.829 16.797 1.00 0.00 H new ATOM 375 N PHE A 26 -11.840 3.025 17.637 1.00 0.00 N ATOM 376 CA PHE A 26 -12.647 2.322 18.634 1.00 0.00 C ATOM 377 C PHE A 26 -12.989 0.881 18.210 1.00 0.00 C ATOM 378 O PHE A 26 -12.934 -0.032 19.037 1.00 0.00 O ATOM 379 CB PHE A 26 -13.910 3.155 18.908 1.00 0.00 C ATOM 380 CG PHE A 26 -14.860 2.592 19.953 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.377 2.140 21.199 1.00 0.00 C ATOM 382 CD2 PHE A 26 -16.242 2.549 19.689 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.267 1.629 22.161 1.00 0.00 C ATOM 384 CE2 PHE A 26 -17.134 2.046 20.655 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.646 1.581 21.889 1.00 0.00 C ATOM 0 H PHE A 26 -12.396 3.584 16.990 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.068 2.219 19.552 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.603 4.152 19.223 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.457 3.270 17.972 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -13.320 2.186 21.415 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.620 2.903 18.741 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.891 1.273 23.109 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.194 2.017 20.448 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.329 1.187 22.627 1.00 0.00 H new ATOM 395 N GLN A 27 -13.315 0.652 16.931 1.00 0.00 N ATOM 396 CA GLN A 27 -13.742 -0.660 16.419 1.00 0.00 C ATOM 397 C GLN A 27 -12.627 -1.726 16.397 1.00 0.00 C ATOM 398 O GLN A 27 -12.941 -2.920 16.418 1.00 0.00 O ATOM 399 CB GLN A 27 -14.348 -0.524 15.008 1.00 0.00 C ATOM 400 CG GLN A 27 -15.591 0.385 14.937 1.00 0.00 C ATOM 401 CD GLN A 27 -16.786 -0.296 14.271 1.00 0.00 C ATOM 402 OE1 GLN A 27 -17.462 -1.136 14.854 1.00 0.00 O ATOM 403 NE2 GLN A 27 -17.100 0.029 13.033 1.00 0.00 N ATOM 0 H GLN A 27 -13.290 1.378 16.215 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.495 -1.011 17.125 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.586 -0.132 14.334 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.616 -1.516 14.643 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.869 0.692 15.945 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.341 1.291 14.385 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.548 0.726 12.533 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.895 -0.417 12.575 1.00 0.00 H new ATOM 412 N ASN A 28 -11.344 -1.334 16.364 1.00 0.00 N ATOM 413 CA ASN A 28 -10.203 -2.253 16.267 1.00 0.00 C ATOM 414 C ASN A 28 -9.097 -1.936 17.306 1.00 0.00 C ATOM 415 O ASN A 28 -8.370 -0.953 17.141 1.00 0.00 O ATOM 416 CB ASN A 28 -9.680 -2.241 14.821 1.00 0.00 C ATOM 417 CG ASN A 28 -8.707 -3.384 14.581 1.00 0.00 C ATOM 418 OD1 ASN A 28 -8.988 -4.541 14.865 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.529 -3.111 14.082 1.00 0.00 N ATOM 0 H ASN A 28 -11.067 -0.353 16.405 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.536 -3.262 16.513 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.517 -2.321 14.128 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.187 -1.291 14.617 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.853 -3.860 13.932 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.287 -2.149 13.843 1.00 0.00 H new ATOM 426 N PRO A 29 -8.923 -2.745 18.374 1.00 0.00 N ATOM 427 CA PRO A 29 -8.067 -2.403 19.518 1.00 0.00 C ATOM 428 C PRO A 29 -6.556 -2.392 19.221 1.00 0.00 C ATOM 429 O PRO A 29 -5.785 -1.824 19.998 1.00 0.00 O ATOM 430 CB PRO A 29 -8.419 -3.428 20.604 1.00 0.00 C ATOM 431 CG PRO A 29 -8.871 -4.647 19.805 1.00 0.00 C ATOM 432 CD PRO A 29 -9.585 -4.022 18.610 1.00 0.00 C ATOM 0 HA PRO A 29 -8.262 -1.374 19.822 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.560 -3.657 21.235 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.208 -3.063 21.261 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.027 -5.263 19.495 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.537 -5.287 20.385 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.516 -4.666 17.733 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.645 -3.880 18.819 1.00 0.00 H new ATOM 440 N MET A 30 -6.118 -2.943 18.081 1.00 0.00 N ATOM 441 CA MET A 30 -4.729 -2.855 17.594 1.00 0.00 C ATOM 442 C MET A 30 -4.265 -1.402 17.395 1.00 0.00 C ATOM 443 O MET A 30 -3.071 -1.114 17.476 1.00 0.00 O ATOM 444 CB MET A 30 -4.593 -3.592 16.254 1.00 0.00 C ATOM 445 CG MET A 30 -4.907 -5.091 16.331 1.00 0.00 C ATOM 446 SD MET A 30 -5.119 -5.904 14.719 1.00 0.00 S ATOM 447 CE MET A 30 -3.540 -5.520 13.916 1.00 0.00 C ATOM 0 H MET A 30 -6.728 -3.473 17.458 1.00 0.00 H new ATOM 0 HA MET A 30 -4.102 -3.315 18.358 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.260 -3.129 15.527 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.577 -3.463 15.882 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.103 -5.590 16.872 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.817 -5.229 16.915 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.393 -6.185 13.065 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.549 -4.486 13.571 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.727 -5.657 14.628 1.00 0.00 H new ATOM 457 N VAL A 31 -5.210 -0.482 17.155 1.00 0.00 N ATOM 458 CA VAL A 31 -4.953 0.955 17.002 1.00 0.00 C ATOM 459 C VAL A 31 -4.309 1.536 18.262 1.00 0.00 C ATOM 460 O VAL A 31 -3.209 2.075 18.183 1.00 0.00 O ATOM 461 CB VAL A 31 -6.234 1.719 16.612 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.995 3.233 16.560 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.715 1.281 15.223 1.00 0.00 C ATOM 0 H VAL A 31 -6.197 -0.723 17.060 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.244 1.081 16.184 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.980 1.491 17.373 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.920 3.738 16.282 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.670 3.584 17.540 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.224 3.455 15.822 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.620 1.829 14.962 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.939 1.490 14.487 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.928 0.212 15.232 1.00 0.00 H new ATOM 473 N GLN A 32 -4.949 1.383 19.425 1.00 0.00 N ATOM 474 CA GLN A 32 -4.466 1.889 20.719 1.00 0.00 C ATOM 475 C GLN A 32 -3.003 1.489 20.995 1.00 0.00 C ATOM 476 O GLN A 32 -2.183 2.321 21.387 1.00 0.00 O ATOM 477 CB GLN A 32 -5.378 1.363 21.844 1.00 0.00 C ATOM 478 CG GLN A 32 -6.818 1.905 21.805 1.00 0.00 C ATOM 479 CD GLN A 32 -6.909 3.352 22.283 1.00 0.00 C ATOM 480 OE1 GLN A 32 -6.912 4.296 21.504 1.00 0.00 O ATOM 481 NE2 GLN A 32 -6.983 3.588 23.577 1.00 0.00 N ATOM 0 H GLN A 32 -5.840 0.892 19.497 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.499 2.978 20.685 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.411 0.275 21.788 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.933 1.620 22.805 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.201 1.837 20.787 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.456 1.279 22.428 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.982 2.811 24.238 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.042 4.548 23.918 1.00 0.00 H new ATOM 490 N GLU A 33 -2.664 0.221 20.748 1.00 0.00 N ATOM 491 CA GLU A 33 -1.315 -0.333 20.902 1.00 0.00 C ATOM 492 C GLU A 33 -0.271 0.310 19.970 1.00 0.00 C ATOM 493 O GLU A 33 0.874 0.504 20.381 1.00 0.00 O ATOM 494 CB GLU A 33 -1.398 -1.856 20.708 1.00 0.00 C ATOM 495 CG GLU A 33 -0.059 -2.607 20.638 1.00 0.00 C ATOM 496 CD GLU A 33 0.867 -2.419 21.856 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.406 -1.937 22.917 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.058 -2.800 21.778 1.00 0.00 O ATOM 0 H GLU A 33 -3.341 -0.470 20.425 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.960 -0.099 21.906 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.982 -2.274 21.528 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.950 -2.054 19.789 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.264 -3.671 20.519 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.474 -2.283 19.744 1.00 0.00 H new ATOM 505 N ALA A 34 -0.639 0.687 18.740 1.00 0.00 N ATOM 506 CA ALA A 34 0.262 1.394 17.829 1.00 0.00 C ATOM 507 C ALA A 34 0.650 2.782 18.382 1.00 0.00 C ATOM 508 O ALA A 34 1.841 3.076 18.507 1.00 0.00 O ATOM 509 CB ALA A 34 -0.365 1.457 16.432 1.00 0.00 C ATOM 0 H ALA A 34 -1.566 0.511 18.352 1.00 0.00 H new ATOM 0 HA ALA A 34 1.198 0.841 17.745 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.307 1.984 15.755 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.533 0.445 16.062 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.316 1.987 16.484 1.00 0.00 H new ATOM 515 N ILE A 35 -0.320 3.612 18.797 1.00 0.00 N ATOM 516 CA ILE A 35 -0.022 4.889 19.481 1.00 0.00 C ATOM 517 C ILE A 35 0.832 4.664 20.741 1.00 0.00 C ATOM 518 O ILE A 35 1.765 5.430 20.988 1.00 0.00 O ATOM 519 CB ILE A 35 -1.296 5.713 19.800 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.984 6.226 18.512 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.977 6.942 20.674 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.176 5.360 18.110 1.00 0.00 C ATOM 0 H ILE A 35 -1.315 3.426 18.673 1.00 0.00 H new ATOM 0 HA ILE A 35 0.562 5.485 18.780 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.960 5.034 20.335 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.318 7.252 18.665 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.259 6.244 17.698 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.895 7.493 20.876 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.536 6.614 21.616 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.273 7.589 20.150 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.626 5.759 17.201 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.840 4.339 17.930 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.914 5.363 18.912 1.00 0.00 H new ATOM 534 N ARG A 36 0.578 3.597 21.512 1.00 0.00 N ATOM 535 CA ARG A 36 1.343 3.256 22.729 1.00 0.00 C ATOM 536 C ARG A 36 2.846 3.011 22.488 1.00 0.00 C ATOM 537 O ARG A 36 3.636 3.202 23.414 1.00 0.00 O ATOM 538 CB ARG A 36 0.655 2.083 23.457 1.00 0.00 C ATOM 539 CG ARG A 36 1.172 1.893 24.894 1.00 0.00 C ATOM 540 CD ARG A 36 0.258 1.009 25.752 1.00 0.00 C ATOM 541 NE ARG A 36 0.253 -0.403 25.321 1.00 0.00 N ATOM 542 CZ ARG A 36 0.023 -1.471 26.063 1.00 0.00 C ATOM 543 NH1 ARG A 36 -0.237 -1.408 27.339 1.00 0.00 N ATOM 544 NH2 ARG A 36 0.051 -2.645 25.514 1.00 0.00 N ATOM 0 H ARG A 36 -0.172 2.936 21.309 1.00 0.00 H new ATOM 0 HA ARG A 36 1.329 4.133 23.376 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.421 2.257 23.482 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.817 1.165 22.892 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.167 1.450 24.860 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.273 2.869 25.369 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.579 1.065 26.792 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.759 1.399 25.711 1.00 0.00 H new ATOM 0 HE ARG A 36 0.450 -0.574 24.335 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.270 -0.503 27.809 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.408 -2.264 27.868 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.249 -2.738 24.518 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.125 -3.476 26.078 1.00 0.00 H new ATOM 558 N MET A 37 3.270 2.671 21.264 1.00 0.00 N ATOM 559 CA MET A 37 4.697 2.601 20.887 1.00 0.00 C ATOM 560 C MET A 37 5.334 3.959 20.519 1.00 0.00 C ATOM 561 O MET A 37 6.556 4.039 20.379 1.00 0.00 O ATOM 562 CB MET A 37 4.920 1.624 19.723 1.00 0.00 C ATOM 563 CG MET A 37 4.425 0.199 19.997 1.00 0.00 C ATOM 564 SD MET A 37 5.383 -1.122 19.191 1.00 0.00 S ATOM 565 CE MET A 37 5.620 -0.437 17.529 1.00 0.00 C ATOM 0 H MET A 37 2.635 2.435 20.501 1.00 0.00 H new ATOM 0 HA MET A 37 5.194 2.247 21.790 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.414 2.009 18.838 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.985 1.589 19.491 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.436 0.029 21.074 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.387 0.123 19.672 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.965 -1.223 16.857 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.675 -0.036 17.163 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.362 0.360 17.566 1.00 0.00 H new ATOM 575 N GLY A 38 4.538 5.023 20.359 1.00 0.00 N ATOM 576 CA GLY A 38 4.987 6.393 20.067 1.00 0.00 C ATOM 577 C GLY A 38 4.492 6.992 18.741 1.00 0.00 C ATOM 578 O GLY A 38 4.809 8.148 18.449 1.00 0.00 O ATOM 0 H GLY A 38 3.523 4.952 20.432 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.663 7.042 20.880 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.077 6.405 20.065 1.00 0.00 H new ATOM 582 N PHE A 39 3.732 6.246 17.928 1.00 0.00 N ATOM 583 CA PHE A 39 3.104 6.760 16.699 1.00 0.00 C ATOM 584 C PHE A 39 1.984 7.789 16.978 1.00 0.00 C ATOM 585 O PHE A 39 1.462 7.883 18.092 1.00 0.00 O ATOM 586 CB PHE A 39 2.539 5.585 15.890 1.00 0.00 C ATOM 587 CG PHE A 39 3.560 4.680 15.222 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.272 5.139 14.096 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.751 3.360 15.673 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.171 4.284 13.432 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.641 2.502 15.004 1.00 0.00 C ATOM 592 CZ PHE A 39 5.348 2.964 13.884 1.00 0.00 C ATOM 0 H PHE A 39 3.533 5.261 18.104 1.00 0.00 H new ATOM 0 HA PHE A 39 3.876 7.281 16.133 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.923 4.977 16.553 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.879 5.985 15.120 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.127 6.149 13.742 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.211 3.005 16.538 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.725 4.641 12.576 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.780 1.489 15.352 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.030 2.305 13.368 1.00 0.00 H new ATOM 602 N SER A 40 1.576 8.540 15.948 1.00 0.00 N ATOM 603 CA SER A 40 0.482 9.527 16.011 1.00 0.00 C ATOM 604 C SER A 40 -0.880 8.901 15.683 1.00 0.00 C ATOM 605 O SER A 40 -0.992 8.156 14.709 1.00 0.00 O ATOM 606 CB SER A 40 0.737 10.658 15.004 1.00 0.00 C ATOM 607 OG SER A 40 1.943 11.349 15.296 1.00 0.00 O ATOM 0 H SER A 40 2.005 8.480 15.024 1.00 0.00 H new ATOM 0 HA SER A 40 0.459 9.908 17.032 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.787 10.246 13.996 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.099 11.358 15.021 1.00 0.00 H new ATOM 0 HG SER A 40 2.079 12.062 14.637 1.00 0.00 H new ATOM 613 N PHE A 41 -1.943 9.271 16.413 1.00 0.00 N ATOM 614 CA PHE A 41 -3.332 8.849 16.135 1.00 0.00 C ATOM 615 C PHE A 41 -3.739 9.055 14.667 1.00 0.00 C ATOM 616 O PHE A 41 -4.296 8.150 14.041 1.00 0.00 O ATOM 617 CB PHE A 41 -4.315 9.587 17.066 1.00 0.00 C ATOM 618 CG PHE A 41 -4.688 8.832 18.329 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.620 7.779 18.258 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.131 9.186 19.574 1.00 0.00 C ATOM 621 CE1 PHE A 41 -5.984 7.076 19.420 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.497 8.480 20.736 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.419 7.423 20.658 1.00 0.00 C ATOM 0 H PHE A 41 -1.865 9.881 17.227 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.377 7.777 16.330 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.876 10.544 17.348 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.226 9.806 16.509 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.057 7.510 17.308 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.423 9.999 19.637 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.699 6.268 19.360 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.068 8.752 21.689 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.693 6.878 21.549 1.00 0.00 H new ATOM 633 N LYS A 42 -3.409 10.230 14.111 1.00 0.00 N ATOM 634 CA LYS A 42 -3.624 10.624 12.709 1.00 0.00 C ATOM 635 C LYS A 42 -2.994 9.658 11.697 1.00 0.00 C ATOM 636 O LYS A 42 -3.582 9.428 10.645 1.00 0.00 O ATOM 637 CB LYS A 42 -3.136 12.079 12.543 1.00 0.00 C ATOM 638 CG LYS A 42 -3.268 12.665 11.125 1.00 0.00 C ATOM 639 CD LYS A 42 -1.980 12.508 10.293 1.00 0.00 C ATOM 640 CE LYS A 42 -2.073 13.198 8.925 1.00 0.00 C ATOM 641 NZ LYS A 42 -2.993 12.491 7.994 1.00 0.00 N ATOM 0 H LYS A 42 -2.962 10.969 14.654 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.689 10.569 12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.695 12.712 13.232 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.089 12.129 12.842 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.092 12.172 10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.523 13.722 11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.140 12.924 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.773 11.448 10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.416 14.224 9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.080 13.251 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.022 12.995 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.653 11.520 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.948 12.463 8.404 1.00 0.00 H new ATOM 655 N ASP A 43 -1.836 9.070 12.001 1.00 0.00 N ATOM 656 CA ASP A 43 -1.218 8.048 11.144 1.00 0.00 C ATOM 657 C ASP A 43 -1.939 6.706 11.244 1.00 0.00 C ATOM 658 O ASP A 43 -2.187 6.072 10.217 1.00 0.00 O ATOM 659 CB ASP A 43 0.266 7.844 11.487 1.00 0.00 C ATOM 660 CG ASP A 43 1.150 9.008 11.030 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.845 9.615 9.976 1.00 0.00 O ATOM 662 OD2 ASP A 43 2.165 9.280 11.714 1.00 0.00 O ATOM 0 H ASP A 43 -1.300 9.285 12.842 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.304 8.419 10.123 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.370 7.717 12.565 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.618 6.923 11.022 1.00 0.00 H new ATOM 667 N ILE A 44 -2.295 6.266 12.457 1.00 0.00 N ATOM 668 CA ILE A 44 -2.919 4.950 12.636 1.00 0.00 C ATOM 669 C ILE A 44 -4.295 4.900 11.969 1.00 0.00 C ATOM 670 O ILE A 44 -4.566 3.977 11.203 1.00 0.00 O ATOM 671 CB ILE A 44 -3.002 4.499 14.108 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.763 4.816 14.968 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.238 2.976 14.107 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.423 4.472 14.319 1.00 0.00 C ATOM 0 H ILE A 44 -2.164 6.795 13.319 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.260 4.237 12.141 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.814 5.064 14.566 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.770 5.878 15.211 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.844 4.273 15.910 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.303 2.617 15.134 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.168 2.752 13.585 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.410 2.480 13.601 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.388 4.731 15.000 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.388 3.405 14.101 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.312 5.035 13.392 1.00 0.00 H new ATOM 686 N LYS A 45 -5.150 5.909 12.190 1.00 0.00 N ATOM 687 CA LYS A 45 -6.446 6.010 11.494 1.00 0.00 C ATOM 688 C LYS A 45 -6.287 6.070 9.970 1.00 0.00 C ATOM 689 O LYS A 45 -7.036 5.398 9.264 1.00 0.00 O ATOM 690 CB LYS A 45 -7.299 7.152 12.080 1.00 0.00 C ATOM 691 CG LYS A 45 -6.765 8.585 11.882 1.00 0.00 C ATOM 692 CD LYS A 45 -7.280 9.293 10.616 1.00 0.00 C ATOM 693 CE LYS A 45 -8.757 9.676 10.761 1.00 0.00 C ATOM 694 NZ LYS A 45 -9.455 9.666 9.448 1.00 0.00 N ATOM 0 H LYS A 45 -4.969 6.669 12.846 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.001 5.090 11.677 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.294 7.095 11.638 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.415 6.976 13.150 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.036 9.183 12.752 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.676 8.551 11.845 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.686 10.187 10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.153 8.639 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.249 8.981 11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.835 10.667 11.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.476 9.796 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.090 10.439 8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.287 8.756 8.973 1.00 0.00 H new ATOM 708 N LYS A 46 -5.292 6.814 9.462 1.00 0.00 N ATOM 709 CA LYS A 46 -4.996 6.948 8.024 1.00 0.00 C ATOM 710 C LYS A 46 -4.552 5.624 7.403 1.00 0.00 C ATOM 711 O LYS A 46 -5.061 5.253 6.348 1.00 0.00 O ATOM 712 CB LYS A 46 -3.962 8.069 7.802 1.00 0.00 C ATOM 713 CG LYS A 46 -3.622 8.363 6.328 1.00 0.00 C ATOM 714 CD LYS A 46 -4.826 8.865 5.507 1.00 0.00 C ATOM 715 CE LYS A 46 -5.206 7.876 4.398 1.00 0.00 C ATOM 716 NZ LYS A 46 -6.489 8.254 3.756 1.00 0.00 N ATOM 0 H LYS A 46 -4.656 7.352 10.051 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.916 7.226 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.337 8.984 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.043 7.803 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.829 9.110 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.230 7.457 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.679 9.017 6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.588 9.833 5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.416 7.847 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.287 6.872 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.604 7.722 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.277 8.032 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.487 9.273 3.550 1.00 0.00 H new ATOM 730 N ILE A 47 -3.632 4.895 8.033 1.00 0.00 N ATOM 731 CA ILE A 47 -3.190 3.601 7.499 1.00 0.00 C ATOM 732 C ILE A 47 -4.280 2.524 7.614 1.00 0.00 C ATOM 733 O ILE A 47 -4.449 1.735 6.688 1.00 0.00 O ATOM 734 CB ILE A 47 -1.829 3.183 8.096 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.075 2.355 7.041 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.948 2.434 9.434 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.379 2.065 7.409 1.00 0.00 C ATOM 0 H ILE A 47 -3.180 5.171 8.905 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.023 3.718 6.428 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.268 4.086 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.598 1.410 6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.100 2.886 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.953 2.172 9.794 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.442 3.073 10.166 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.534 1.526 9.292 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.844 1.478 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.918 3.005 7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.413 1.506 8.344 1.00 0.00 H new ATOM 749 N MET A 48 -5.069 2.530 8.696 1.00 0.00 N ATOM 750 CA MET A 48 -6.245 1.669 8.887 1.00 0.00 C ATOM 751 C MET A 48 -7.285 1.863 7.777 1.00 0.00 C ATOM 752 O MET A 48 -7.606 0.909 7.068 1.00 0.00 O ATOM 753 CB MET A 48 -6.876 1.935 10.262 1.00 0.00 C ATOM 754 CG MET A 48 -6.084 1.279 11.395 1.00 0.00 C ATOM 755 SD MET A 48 -6.651 -0.395 11.792 1.00 0.00 S ATOM 756 CE MET A 48 -5.171 -1.038 12.609 1.00 0.00 C ATOM 0 H MET A 48 -4.902 3.152 9.487 1.00 0.00 H new ATOM 0 HA MET A 48 -5.907 0.634 8.839 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.931 3.010 10.434 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.899 1.559 10.270 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.030 1.242 11.118 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.157 1.901 12.287 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.320 -2.089 12.858 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.315 -0.941 11.941 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.984 -0.472 13.522 1.00 0.00 H new ATOM 766 N GLU A 49 -7.815 3.080 7.607 1.00 0.00 N ATOM 767 CA GLU A 49 -8.836 3.361 6.587 1.00 0.00 C ATOM 768 C GLU A 49 -8.331 3.045 5.165 1.00 0.00 C ATOM 769 O GLU A 49 -9.063 2.448 4.379 1.00 0.00 O ATOM 770 CB GLU A 49 -9.375 4.805 6.713 1.00 0.00 C ATOM 771 CG GLU A 49 -8.363 5.860 6.246 1.00 0.00 C ATOM 772 CD GLU A 49 -8.752 7.320 6.526 1.00 0.00 C ATOM 773 OE1 GLU A 49 -9.276 7.645 7.615 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.461 8.180 5.658 1.00 0.00 O ATOM 0 H GLU A 49 -7.552 3.892 8.166 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.676 2.691 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.289 4.900 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.642 4.999 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.406 5.659 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.211 5.742 5.173 1.00 0.00 H new ATOM 781 N GLU A 50 -7.079 3.390 4.836 1.00 0.00 N ATOM 782 CA GLU A 50 -6.488 3.175 3.508 1.00 0.00 C ATOM 783 C GLU A 50 -6.252 1.682 3.220 1.00 0.00 C ATOM 784 O GLU A 50 -6.632 1.205 2.148 1.00 0.00 O ATOM 785 CB GLU A 50 -5.215 4.031 3.383 1.00 0.00 C ATOM 786 CG GLU A 50 -4.739 4.286 1.943 1.00 0.00 C ATOM 787 CD GLU A 50 -3.822 3.206 1.327 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.386 2.260 2.025 1.00 0.00 O ATOM 789 OE2 GLU A 50 -3.487 3.337 0.124 1.00 0.00 O ATOM 0 H GLU A 50 -6.439 3.833 5.495 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.188 3.499 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.393 4.992 3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.411 3.542 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.617 4.394 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.210 5.239 1.921 1.00 0.00 H new ATOM 796 N LYS A 51 -5.737 0.917 4.197 1.00 0.00 N ATOM 797 CA LYS A 51 -5.648 -0.553 4.152 1.00 0.00 C ATOM 798 C LYS A 51 -7.010 -1.168 3.852 1.00 0.00 C ATOM 799 O LYS A 51 -7.139 -1.891 2.868 1.00 0.00 O ATOM 800 CB LYS A 51 -5.048 -1.089 5.468 1.00 0.00 C ATOM 801 CG LYS A 51 -5.018 -2.621 5.608 1.00 0.00 C ATOM 802 CD LYS A 51 -4.110 -3.319 4.585 1.00 0.00 C ATOM 803 CE LYS A 51 -3.908 -4.802 4.932 1.00 0.00 C ATOM 804 NZ LYS A 51 -5.134 -5.624 4.728 1.00 0.00 N ATOM 0 H LYS A 51 -5.362 1.312 5.060 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.981 -0.844 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.029 -0.713 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.618 -0.677 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.683 -2.878 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.032 -3.006 5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.547 -3.233 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.143 -2.817 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.102 -5.205 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.591 -4.886 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.022 -6.540 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.956 -5.125 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.281 -5.782 3.711 1.00 0.00 H new ATOM 818 N ILE A 52 -8.026 -0.885 4.668 1.00 0.00 N ATOM 819 CA ILE A 52 -9.378 -1.445 4.515 1.00 0.00 C ATOM 820 C ILE A 52 -9.997 -1.055 3.160 1.00 0.00 C ATOM 821 O ILE A 52 -10.558 -1.913 2.479 1.00 0.00 O ATOM 822 CB ILE A 52 -10.266 -1.037 5.714 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.701 -1.612 7.034 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.709 -1.546 5.537 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.280 -0.932 8.280 1.00 0.00 C ATOM 0 H ILE A 52 -7.937 -0.254 5.464 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.309 -2.533 4.516 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.269 0.052 5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.913 -2.680 7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.617 -1.501 7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.309 -1.244 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.136 -1.121 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.705 -2.633 5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.845 -1.379 9.174 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.046 0.132 8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.362 -1.065 8.298 1.00 0.00 H new ATOM 837 N GLN A 53 -9.860 0.204 2.732 1.00 0.00 N ATOM 838 CA GLN A 53 -10.353 0.714 1.446 1.00 0.00 C ATOM 839 C GLN A 53 -9.743 -0.020 0.232 1.00 0.00 C ATOM 840 O GLN A 53 -10.479 -0.435 -0.666 1.00 0.00 O ATOM 841 CB GLN A 53 -10.098 2.231 1.394 1.00 0.00 C ATOM 842 CG GLN A 53 -10.650 2.917 0.135 1.00 0.00 C ATOM 843 CD GLN A 53 -10.501 4.441 0.189 1.00 0.00 C ATOM 844 OE1 GLN A 53 -9.543 4.996 0.712 1.00 0.00 O ATOM 845 NE2 GLN A 53 -11.445 5.188 -0.347 1.00 0.00 N ATOM 0 H GLN A 53 -9.389 0.919 3.287 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.423 0.519 1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.546 2.694 2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.024 2.410 1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.129 2.534 -0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.703 2.661 0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.253 4.750 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.368 6.205 -0.320 1.00 0.00 H new ATOM 854 N ILE A 54 -8.415 -0.185 0.190 1.00 0.00 N ATOM 855 CA ILE A 54 -7.693 -0.851 -0.910 1.00 0.00 C ATOM 856 C ILE A 54 -7.805 -2.386 -0.836 1.00 0.00 C ATOM 857 O ILE A 54 -8.210 -3.032 -1.805 1.00 0.00 O ATOM 858 CB ILE A 54 -6.214 -0.382 -0.931 1.00 0.00 C ATOM 859 CG1 ILE A 54 -6.072 1.133 -1.213 1.00 0.00 C ATOM 860 CG2 ILE A 54 -5.360 -1.172 -1.941 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.760 1.654 -2.483 1.00 0.00 C ATOM 0 H ILE A 54 -7.798 0.145 0.932 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.163 -0.559 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.840 -0.582 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.471 1.679 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.010 1.372 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.334 -0.805 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.373 -2.230 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.768 -1.041 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.591 2.727 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.347 1.146 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.831 1.459 -2.423 1.00 0.00 H new ATOM 873 N SER A 55 -7.421 -2.978 0.297 1.00 0.00 N ATOM 874 CA SER A 55 -7.286 -4.430 0.508 1.00 0.00 C ATOM 875 C SER A 55 -8.622 -5.151 0.755 1.00 0.00 C ATOM 876 O SER A 55 -8.746 -6.347 0.480 1.00 0.00 O ATOM 877 CB SER A 55 -6.351 -4.642 1.705 1.00 0.00 C ATOM 878 OG SER A 55 -5.993 -5.995 1.926 1.00 0.00 O ATOM 0 H SER A 55 -7.184 -2.440 1.131 1.00 0.00 H new ATOM 0 HA SER A 55 -6.884 -4.864 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.444 -4.058 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.833 -4.253 2.602 1.00 0.00 H new ATOM 0 HG SER A 55 -6.607 -6.580 1.436 1.00 0.00 H new ATOM 884 N GLY A 56 -9.634 -4.443 1.269 1.00 0.00 N ATOM 885 CA GLY A 56 -10.958 -4.980 1.616 1.00 0.00 C ATOM 886 C GLY A 56 -11.076 -5.539 3.044 1.00 0.00 C ATOM 887 O GLY A 56 -12.177 -5.902 3.462 1.00 0.00 O ATOM 0 H GLY A 56 -9.552 -3.445 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.699 -4.191 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.210 -5.771 0.910 1.00 0.00 H new ATOM 891 N SER A 57 -9.974 -5.605 3.803 1.00 0.00 N ATOM 892 CA SER A 57 -9.932 -6.065 5.200 1.00 0.00 C ATOM 893 C SER A 57 -8.821 -5.379 6.008 1.00 0.00 C ATOM 894 O SER A 57 -7.836 -4.884 5.450 1.00 0.00 O ATOM 895 CB SER A 57 -9.741 -7.588 5.224 1.00 0.00 C ATOM 896 OG SER A 57 -9.944 -8.103 6.533 1.00 0.00 O ATOM 0 H SER A 57 -9.057 -5.331 3.451 1.00 0.00 H new ATOM 0 HA SER A 57 -10.878 -5.796 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.440 -8.057 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.737 -7.838 4.882 1.00 0.00 H new ATOM 0 HG SER A 57 -9.819 -9.075 6.525 1.00 0.00 H new ATOM 902 N ASN A 58 -8.976 -5.366 7.334 1.00 0.00 N ATOM 903 CA ASN A 58 -8.046 -4.793 8.314 1.00 0.00 C ATOM 904 C ASN A 58 -6.710 -5.582 8.393 1.00 0.00 C ATOM 905 O ASN A 58 -6.552 -6.646 7.784 1.00 0.00 O ATOM 906 CB ASN A 58 -8.805 -4.720 9.663 1.00 0.00 C ATOM 907 CG ASN A 58 -8.331 -3.610 10.591 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.150 -3.358 10.755 1.00 0.00 O ATOM 909 ND2 ASN A 58 -9.229 -2.883 11.211 1.00 0.00 N ATOM 0 H ASN A 58 -9.797 -5.777 7.778 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.736 -3.792 8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.867 -4.580 9.462 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.701 -5.676 10.177 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.935 -2.119 11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.222 -3.081 11.084 1.00 0.00 H new ATOM 916 N TYR A 59 -5.732 -5.067 9.139 1.00 0.00 N ATOM 917 CA TYR A 59 -4.457 -5.721 9.443 1.00 0.00 C ATOM 918 C TYR A 59 -4.630 -7.013 10.264 1.00 0.00 C ATOM 919 O TYR A 59 -5.472 -7.094 11.162 1.00 0.00 O ATOM 920 CB TYR A 59 -3.546 -4.718 10.171 1.00 0.00 C ATOM 921 CG TYR A 59 -2.913 -3.721 9.221 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.874 -4.159 8.380 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.379 -2.393 9.128 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.312 -3.288 7.433 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.808 -1.512 8.186 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.781 -1.963 7.327 1.00 0.00 C ATOM 927 OH TYR A 59 -1.267 -1.142 6.373 1.00 0.00 O ATOM 0 H TYR A 59 -5.809 -4.144 9.566 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.998 -6.027 8.503 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.126 -4.182 10.922 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.762 -5.260 10.700 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.506 -5.171 8.463 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.172 -2.051 9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.520 -3.633 6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.156 -0.492 8.121 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.512 -1.585 5.932 1.00 0.00 H new ATOM 937 N LYS A 60 -3.792 -8.016 9.968 1.00 0.00 N ATOM 938 CA LYS A 60 -3.740 -9.328 10.643 1.00 0.00 C ATOM 939 C LYS A 60 -3.251 -9.235 12.092 1.00 0.00 C ATOM 940 O LYS A 60 -3.930 -9.701 13.009 1.00 0.00 O ATOM 941 CB LYS A 60 -2.836 -10.283 9.834 1.00 0.00 C ATOM 942 CG LYS A 60 -3.556 -10.907 8.625 1.00 0.00 C ATOM 943 CD LYS A 60 -4.497 -12.066 9.005 1.00 0.00 C ATOM 944 CE LYS A 60 -3.763 -13.331 9.485 1.00 0.00 C ATOM 945 NZ LYS A 60 -3.094 -14.052 8.369 1.00 0.00 N ATOM 0 H LYS A 60 -3.102 -7.936 9.221 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.758 -9.715 10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.959 -9.738 9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.479 -11.078 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.131 -10.134 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.812 -11.270 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.173 -11.730 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.112 -12.320 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.020 -13.056 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.474 -13.999 9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.613 -14.896 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.804 -14.339 7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.396 -13.425 7.920 1.00 0.00 H new ATOM 959 N SER A 61 -2.066 -8.652 12.278 1.00 0.00 N ATOM 960 CA SER A 61 -1.339 -8.568 13.553 1.00 0.00 C ATOM 961 C SER A 61 -0.550 -7.261 13.658 1.00 0.00 C ATOM 962 O SER A 61 -0.325 -6.578 12.653 1.00 0.00 O ATOM 963 CB SER A 61 -0.360 -9.752 13.681 1.00 0.00 C ATOM 964 OG SER A 61 -1.025 -11.003 13.589 1.00 0.00 O ATOM 0 H SER A 61 -1.561 -8.205 11.513 1.00 0.00 H new ATOM 0 HA SER A 61 -2.075 -8.600 14.356 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.395 -9.684 12.898 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.163 -9.689 14.635 1.00 0.00 H new ATOM 0 HG SER A 61 -0.371 -11.728 13.673 1.00 0.00 H new ATOM 970 N LEU A 62 -0.086 -6.937 14.870 1.00 0.00 N ATOM 971 CA LEU A 62 0.728 -5.749 15.160 1.00 0.00 C ATOM 972 C LEU A 62 1.965 -5.667 14.258 1.00 0.00 C ATOM 973 O LEU A 62 2.271 -4.599 13.743 1.00 0.00 O ATOM 974 CB LEU A 62 1.161 -5.748 16.639 1.00 0.00 C ATOM 975 CG LEU A 62 0.022 -5.775 17.674 1.00 0.00 C ATOM 976 CD1 LEU A 62 0.631 -5.856 19.072 1.00 0.00 C ATOM 977 CD2 LEU A 62 -0.879 -4.540 17.585 1.00 0.00 C ATOM 0 H LEU A 62 -0.270 -7.506 15.696 1.00 0.00 H new ATOM 0 HA LEU A 62 0.109 -4.874 14.958 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.802 -6.613 16.810 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.768 -4.861 16.819 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.600 -6.646 17.465 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.166 -5.876 19.815 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.229 -6.764 19.156 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.266 -4.986 19.243 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.666 -4.609 18.336 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.285 -3.643 17.762 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.328 -4.488 16.593 1.00 0.00 H new ATOM 989 N GLU A 63 2.635 -6.799 14.019 1.00 0.00 N ATOM 990 CA GLU A 63 3.825 -6.928 13.164 1.00 0.00 C ATOM 991 C GLU A 63 3.634 -6.288 11.779 1.00 0.00 C ATOM 992 O GLU A 63 4.439 -5.455 11.360 1.00 0.00 O ATOM 993 CB GLU A 63 4.190 -8.414 13.000 1.00 0.00 C ATOM 994 CG GLU A 63 4.632 -9.077 14.312 1.00 0.00 C ATOM 995 CD GLU A 63 4.951 -10.569 14.096 1.00 0.00 C ATOM 996 OE1 GLU A 63 6.037 -10.895 13.555 1.00 0.00 O ATOM 997 OE2 GLU A 63 4.121 -11.433 14.474 1.00 0.00 O ATOM 0 H GLU A 63 2.353 -7.688 14.432 1.00 0.00 H new ATOM 0 HA GLU A 63 4.634 -6.391 13.659 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.329 -8.951 12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.991 -8.506 12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.512 -8.566 14.703 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.845 -8.974 15.059 1.00 0.00 H new ATOM 1004 N VAL A 64 2.555 -6.655 11.076 1.00 0.00 N ATOM 1005 CA VAL A 64 2.215 -6.114 9.748 1.00 0.00 C ATOM 1006 C VAL A 64 1.867 -4.625 9.846 1.00 0.00 C ATOM 1007 O VAL A 64 2.349 -3.823 9.046 1.00 0.00 O ATOM 1008 CB VAL A 64 1.055 -6.890 9.087 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.928 -6.520 7.604 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.245 -8.412 9.153 1.00 0.00 C ATOM 0 H VAL A 64 1.884 -7.344 11.415 1.00 0.00 H new ATOM 0 HA VAL A 64 3.095 -6.234 9.116 1.00 0.00 H new ATOM 0 HB VAL A 64 0.162 -6.611 9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.105 -7.079 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.734 -5.451 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.855 -6.767 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.400 -8.905 8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.166 -8.686 8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.305 -8.726 10.195 1.00 0.00 H new ATOM 1020 N LEU A 65 1.069 -4.248 10.852 1.00 0.00 N ATOM 1021 CA LEU A 65 0.641 -2.870 11.106 1.00 0.00 C ATOM 1022 C LEU A 65 1.848 -1.922 11.279 1.00 0.00 C ATOM 1023 O LEU A 65 1.968 -0.928 10.564 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.285 -2.857 12.342 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.428 -1.821 12.332 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.877 -1.603 13.778 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.072 -0.455 11.751 1.00 0.00 C ATOM 0 H LEU A 65 0.694 -4.912 11.529 1.00 0.00 H new ATOM 0 HA LEU A 65 0.088 -2.498 10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.724 -3.849 12.450 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.328 -2.681 13.226 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.200 -2.236 11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.686 -0.873 13.802 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.227 -2.547 14.197 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.038 -1.233 14.368 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.945 0.196 11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.262 -0.013 12.331 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.755 -0.572 10.715 1.00 0.00 H new ATOM 1039 N VAL A 66 2.761 -2.226 12.212 1.00 0.00 N ATOM 1040 CA VAL A 66 3.925 -1.380 12.540 1.00 0.00 C ATOM 1041 C VAL A 66 4.978 -1.352 11.430 1.00 0.00 C ATOM 1042 O VAL A 66 5.580 -0.303 11.197 1.00 0.00 O ATOM 1043 CB VAL A 66 4.552 -1.717 13.908 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.485 -1.663 15.012 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.289 -3.061 13.954 1.00 0.00 C ATOM 0 H VAL A 66 2.714 -3.078 12.770 1.00 0.00 H new ATOM 0 HA VAL A 66 3.525 -0.369 12.619 1.00 0.00 H new ATOM 0 HB VAL A 66 5.312 -0.954 14.078 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.942 -1.903 15.972 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.056 -0.662 15.055 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.699 -2.386 14.794 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.698 -3.217 14.952 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.593 -3.866 13.717 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.100 -3.056 13.226 1.00 0.00 H new ATOM 1055 N ALA A 67 5.161 -2.457 10.698 1.00 0.00 N ATOM 1056 CA ALA A 67 6.004 -2.496 9.504 1.00 0.00 C ATOM 1057 C ALA A 67 5.468 -1.557 8.408 1.00 0.00 C ATOM 1058 O ALA A 67 6.210 -0.727 7.879 1.00 0.00 O ATOM 1059 CB ALA A 67 6.109 -3.942 9.007 1.00 0.00 C ATOM 0 H ALA A 67 4.725 -3.352 10.921 1.00 0.00 H new ATOM 0 HA ALA A 67 7.001 -2.138 9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.737 -3.976 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.550 -4.563 9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.115 -4.316 8.764 1.00 0.00 H new ATOM 1065 N ASP A 68 4.174 -1.650 8.091 1.00 0.00 N ATOM 1066 CA ASP A 68 3.524 -0.772 7.115 1.00 0.00 C ATOM 1067 C ASP A 68 3.509 0.699 7.566 1.00 0.00 C ATOM 1068 O ASP A 68 3.690 1.580 6.726 1.00 0.00 O ATOM 1069 CB ASP A 68 2.105 -1.270 6.795 1.00 0.00 C ATOM 1070 CG ASP A 68 2.054 -2.386 5.732 1.00 0.00 C ATOM 1071 OD1 ASP A 68 3.040 -3.137 5.538 1.00 0.00 O ATOM 1072 OD2 ASP A 68 1.004 -2.492 5.053 1.00 0.00 O ATOM 0 H ASP A 68 3.546 -2.339 8.505 1.00 0.00 H new ATOM 0 HA ASP A 68 4.118 -0.812 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.644 -1.636 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.505 -0.428 6.451 1.00 0.00 H new ATOM 1077 N LEU A 69 3.369 0.985 8.868 1.00 0.00 N ATOM 1078 CA LEU A 69 3.511 2.335 9.432 1.00 0.00 C ATOM 1079 C LEU A 69 4.889 2.938 9.139 1.00 0.00 C ATOM 1080 O LEU A 69 4.960 3.972 8.472 1.00 0.00 O ATOM 1081 CB LEU A 69 3.225 2.338 10.944 1.00 0.00 C ATOM 1082 CG LEU A 69 1.733 2.342 11.312 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.574 1.969 12.784 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.111 3.728 11.103 1.00 0.00 C ATOM 0 H LEU A 69 3.151 0.276 9.568 1.00 0.00 H new ATOM 0 HA LEU A 69 2.769 2.964 8.941 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.694 1.461 11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.698 3.214 11.388 1.00 0.00 H new ATOM 0 HG LEU A 69 1.228 1.622 10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.516 1.971 13.048 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.988 0.975 12.954 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.104 2.694 13.402 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.055 3.697 11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.625 4.456 11.731 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.210 4.017 10.057 1.00 0.00 H new ATOM 1096 N VAL A 70 5.986 2.323 9.606 1.00 0.00 N ATOM 1097 CA VAL A 70 7.336 2.877 9.362 1.00 0.00 C ATOM 1098 C VAL A 70 7.655 2.996 7.868 1.00 0.00 C ATOM 1099 O VAL A 70 8.292 3.966 7.466 1.00 0.00 O ATOM 1100 CB VAL A 70 8.473 2.142 10.100 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.260 2.163 11.616 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.688 0.690 9.665 1.00 0.00 C ATOM 0 H VAL A 70 5.972 1.457 10.146 1.00 0.00 H new ATOM 0 HA VAL A 70 7.293 3.878 9.791 1.00 0.00 H new ATOM 0 HB VAL A 70 9.368 2.699 9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.079 1.636 12.106 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.232 3.195 11.965 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.317 1.672 11.858 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.507 0.256 10.238 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.777 0.118 9.843 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.933 0.661 8.603 1.00 0.00 H new ATOM 1112 N ASN A 71 7.161 2.068 7.038 1.00 0.00 N ATOM 1113 CA ASN A 71 7.254 2.111 5.577 1.00 0.00 C ATOM 1114 C ASN A 71 6.515 3.324 4.974 1.00 0.00 C ATOM 1115 O ASN A 71 7.111 4.104 4.230 1.00 0.00 O ATOM 1116 CB ASN A 71 6.733 0.779 5.015 1.00 0.00 C ATOM 1117 CG ASN A 71 6.810 0.727 3.499 1.00 0.00 C ATOM 1118 OD1 ASN A 71 7.870 0.846 2.901 1.00 0.00 O ATOM 1119 ND2 ASN A 71 5.693 0.556 2.826 1.00 0.00 N ATOM 0 H ASN A 71 6.670 1.241 7.378 1.00 0.00 H new ATOM 0 HA ASN A 71 8.298 2.241 5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.313 -0.042 5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.700 0.633 5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.712 0.523 1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.808 0.457 3.323 1.00 0.00 H new ATOM 1126 N ALA A 72 5.232 3.512 5.298 1.00 0.00 N ATOM 1127 CA ALA A 72 4.417 4.634 4.822 1.00 0.00 C ATOM 1128 C ALA A 72 4.965 6.010 5.257 1.00 0.00 C ATOM 1129 O ALA A 72 4.799 6.998 4.539 1.00 0.00 O ATOM 1130 CB ALA A 72 2.978 4.431 5.314 1.00 0.00 C ATOM 0 H ALA A 72 4.721 2.876 5.910 1.00 0.00 H new ATOM 0 HA ALA A 72 4.449 4.641 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.356 5.257 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.587 3.493 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.967 4.399 6.403 1.00 0.00 H new ATOM 1136 N GLN A 73 5.643 6.072 6.409 1.00 0.00 N ATOM 1137 CA GLN A 73 6.257 7.283 6.971 1.00 0.00 C ATOM 1138 C GLN A 73 7.743 7.485 6.584 1.00 0.00 C ATOM 1139 O GLN A 73 8.376 8.413 7.098 1.00 0.00 O ATOM 1140 CB GLN A 73 6.049 7.293 8.501 1.00 0.00 C ATOM 1141 CG GLN A 73 4.571 7.277 8.938 1.00 0.00 C ATOM 1142 CD GLN A 73 3.733 8.407 8.338 1.00 0.00 C ATOM 1143 OE1 GLN A 73 4.130 9.564 8.288 1.00 0.00 O ATOM 1144 NE2 GLN A 73 2.550 8.116 7.839 1.00 0.00 N ATOM 0 H GLN A 73 5.785 5.251 6.998 1.00 0.00 H new ATOM 0 HA GLN A 73 5.750 8.139 6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.553 6.427 8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.529 8.179 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.129 6.321 8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.523 7.341 10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.204 7.157 7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.979 8.850 7.419 1.00 0.00 H new