USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 592 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 152:sc= -2.37! (180deg=-3.04!) USER MOD Set 2.1: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Set 3.1: A 29 HIS : no HD1:sc= 0.188 K(o=0.23,f=-10!) USER MOD Set 3.2: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 64 GLN : amide:sc= 0.0371 K(o=0.23,f=-8.8!) USER MOD Single : A 32 ASN : amide:sc=-0.00873 X(o=-0.0087,f=-0.18) USER MOD Single : A 35 HIS : no HD1:sc= -0.0555 X(o=-0.055,f=-0.055) USER MOD Single : A 36 SER OG : rot -47:sc= 1.14 USER MOD Single : A 38 TYR OH : rot -141:sc= 1.11 USER MOD Single : A 39 SER OG : rot 180:sc=-7.38e-05 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0213) USER MOD Single : A 55 ASN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 56 TYR OH : rot 165:sc= -0.194 USER MOD Single : A 59 MET CE :methyl -153:sc= -4.39! (180deg=-7!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= -0.0383 (180deg=-0.314) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 171:sc= -5.83 (180deg=-6.52!) USER MOD Single : A 71 THR OG1 : rot -69:sc= 0.485 USER MOD Single : A 76 MET CE :methyl -132:sc= -1.92 (180deg=-5.21!) USER MOD Single : A 78 MET CE :methyl -110:sc= -6.38! (180deg=-8.87!) USER MOD Single : A 82 CYS SG : rot -21:sc= -0.629 USER MOD Single : A 84 LYS NZ :NH3+ -130:sc= 0.0841 (180deg=-0.156) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 180:sc= -0.0517 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.797 9.290 -9.017 1.00 0.00 N ATOM 356 CA GLY A 25 -7.510 8.989 -8.416 1.00 0.00 C ATOM 357 C GLY A 25 -7.473 7.613 -7.782 1.00 0.00 C ATOM 358 O GLY A 25 -8.289 7.301 -6.913 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.733 9.056 -9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.281 9.740 -7.660 1.00 0.00 H new ATOM 362 N ARG A 26 -6.527 6.788 -8.216 1.00 0.00 N ATOM 363 CA ARG A 26 -6.390 5.437 -7.686 1.00 0.00 C ATOM 364 C ARG A 26 -4.975 5.197 -7.168 1.00 0.00 C ATOM 365 O ARG A 26 -4.042 4.998 -7.946 1.00 0.00 O ATOM 366 CB ARG A 26 -6.730 4.406 -8.765 1.00 0.00 C ATOM 367 CG ARG A 26 -8.123 4.575 -9.352 1.00 0.00 C ATOM 368 CD ARG A 26 -8.090 4.579 -10.871 1.00 0.00 C ATOM 369 NE ARG A 26 -9.265 5.234 -11.443 1.00 0.00 N ATOM 370 CZ ARG A 26 -9.396 5.510 -12.735 1.00 0.00 C ATOM 371 NH1 ARG A 26 -8.431 5.191 -13.586 1.00 0.00 N ATOM 372 NH2 ARG A 26 -10.494 6.108 -13.178 1.00 0.00 N ATOM 0 H ARG A 26 -5.844 7.031 -8.933 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.087 5.328 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.996 4.477 -9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.643 3.406 -8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.767 3.767 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.559 5.508 -8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.189 5.088 -11.213 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.034 3.553 -11.235 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.026 5.493 -10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.585 4.732 -13.249 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.535 5.404 -14.578 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.238 6.356 -12.526 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.594 6.320 -14.171 1.00 0.00 H new ATOM 386 N VAL A 27 -4.822 5.218 -5.847 1.00 0.00 N ATOM 387 CA VAL A 27 -3.522 5.002 -5.225 1.00 0.00 C ATOM 388 C VAL A 27 -3.632 4.055 -4.036 1.00 0.00 C ATOM 389 O VAL A 27 -4.196 4.406 -2.999 1.00 0.00 O ATOM 390 CB VAL A 27 -2.899 6.330 -4.752 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.614 6.072 -3.981 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.644 7.250 -5.937 1.00 0.00 C ATOM 0 H VAL A 27 -5.583 5.382 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.879 4.556 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.603 6.824 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.188 7.021 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.830 5.453 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.901 5.557 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.204 8.183 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.959 6.766 -6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.586 7.461 -6.443 1.00 0.00 H new ATOM 402 N ILE A 28 -3.090 2.851 -4.194 1.00 0.00 N ATOM 403 CA ILE A 28 -3.127 1.852 -3.133 1.00 0.00 C ATOM 404 C ILE A 28 -2.096 2.161 -2.053 1.00 0.00 C ATOM 405 O ILE A 28 -0.893 2.004 -2.263 1.00 0.00 O ATOM 406 CB ILE A 28 -2.869 0.437 -3.683 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.992 0.024 -4.636 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.743 -0.560 -2.541 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.233 -0.473 -3.928 1.00 0.00 C ATOM 0 H ILE A 28 -2.621 2.544 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.127 1.888 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.931 0.444 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.257 0.876 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.625 -0.758 -5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.561 -1.556 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.912 -0.272 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.666 -0.567 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.987 -0.748 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.982 -1.344 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.625 0.315 -3.285 1.00 0.00 H new ATOM 421 N HIS A 29 -2.576 2.599 -0.892 1.00 0.00 N ATOM 422 CA HIS A 29 -1.697 2.928 0.224 1.00 0.00 C ATOM 423 C HIS A 29 -1.302 1.671 0.993 1.00 0.00 C ATOM 424 O HIS A 29 -2.154 0.981 1.555 1.00 0.00 O ATOM 425 CB HIS A 29 -2.379 3.922 1.163 1.00 0.00 C ATOM 426 CG HIS A 29 -1.436 4.588 2.117 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.579 5.898 2.525 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.334 4.119 2.747 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.604 6.205 3.361 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.164 5.142 3.514 1.00 0.00 N ATOM 0 H HIS A 29 -3.569 2.734 -0.701 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.793 3.384 -0.180 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.881 4.685 0.568 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.151 3.402 1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.077 3.124 2.662 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.459 7.163 3.838 1.00 0.00 H new ATOM 0 HE2 HIS A 29 0.993 5.090 4.106 1.00 0.00 H new ATOM 438 N LEU A 30 -0.007 1.378 1.013 1.00 0.00 N ATOM 439 CA LEU A 30 0.501 0.203 1.714 1.00 0.00 C ATOM 440 C LEU A 30 1.392 0.609 2.884 1.00 0.00 C ATOM 441 O LEU A 30 2.540 1.008 2.694 1.00 0.00 O ATOM 442 CB LEU A 30 1.283 -0.692 0.749 1.00 0.00 C ATOM 443 CG LEU A 30 0.485 -1.282 -0.414 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.398 -1.573 -1.595 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.240 -2.546 0.025 1.00 0.00 C ATOM 0 H LEU A 30 0.711 1.937 0.552 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.351 -0.352 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.111 -0.114 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.718 -1.513 1.318 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.259 -0.550 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.812 -1.992 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.872 -0.649 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.165 -2.287 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.803 -2.953 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.487 -3.283 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.924 -2.309 0.840 1.00 0.00 H new ATOM 457 N SER A 31 0.854 0.499 4.095 1.00 0.00 N ATOM 458 CA SER A 31 1.600 0.856 5.296 1.00 0.00 C ATOM 459 C SER A 31 2.061 -0.394 6.040 1.00 0.00 C ATOM 460 O SER A 31 1.623 -1.504 5.742 1.00 0.00 O ATOM 461 CB SER A 31 0.740 1.724 6.217 1.00 0.00 C ATOM 462 OG SER A 31 0.714 3.069 5.773 1.00 0.00 O ATOM 0 H SER A 31 -0.094 0.166 4.270 1.00 0.00 H new ATOM 0 HA SER A 31 2.480 1.423 4.993 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.275 1.329 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.132 1.681 7.233 1.00 0.00 H new ATOM 0 HG SER A 31 0.157 3.602 6.377 1.00 0.00 H new ATOM 468 N ASN A 32 2.948 -0.203 7.011 1.00 0.00 N ATOM 469 CA ASN A 32 3.470 -1.314 7.799 1.00 0.00 C ATOM 470 C ASN A 32 4.095 -2.373 6.897 1.00 0.00 C ATOM 471 O ASN A 32 3.768 -3.557 6.993 1.00 0.00 O ATOM 472 CB ASN A 32 2.355 -1.937 8.641 1.00 0.00 C ATOM 473 CG ASN A 32 2.886 -2.631 9.880 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.644 -2.049 10.655 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.490 -3.884 10.072 1.00 0.00 N ATOM 0 H ASN A 32 3.320 0.710 7.271 1.00 0.00 H new ATOM 0 HA ASN A 32 4.243 -0.926 8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.650 -1.160 8.937 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.803 -2.655 8.034 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.815 -4.402 10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.860 -4.328 9.404 1.00 0.00 H new ATOM 482 N LEU A 33 4.996 -1.942 6.022 1.00 0.00 N ATOM 483 CA LEU A 33 5.668 -2.853 5.102 1.00 0.00 C ATOM 484 C LEU A 33 6.924 -3.440 5.738 1.00 0.00 C ATOM 485 O LEU A 33 7.534 -2.848 6.629 1.00 0.00 O ATOM 486 CB LEU A 33 6.032 -2.126 3.807 1.00 0.00 C ATOM 487 CG LEU A 33 4.873 -1.834 2.853 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.336 -0.953 1.703 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.276 -3.132 2.327 1.00 0.00 C ATOM 0 H LEU A 33 5.279 -0.966 5.930 1.00 0.00 H new ATOM 0 HA LEU A 33 4.982 -3.669 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.510 -1.181 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.773 -2.723 3.275 1.00 0.00 H new ATOM 0 HG LEU A 33 4.100 -1.299 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.497 -0.756 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.715 -0.010 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.128 -1.460 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.453 -2.906 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.042 -3.694 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.906 -3.727 3.162 1.00 0.00 H new ATOM 501 N PRO A 34 7.323 -4.633 5.271 1.00 0.00 N ATOM 502 CA PRO A 34 8.511 -5.325 5.778 1.00 0.00 C ATOM 503 C PRO A 34 9.805 -4.625 5.377 1.00 0.00 C ATOM 504 O PRO A 34 9.786 -3.500 4.878 1.00 0.00 O ATOM 505 CB PRO A 34 8.424 -6.705 5.122 1.00 0.00 C ATOM 506 CG PRO A 34 7.627 -6.487 3.883 1.00 0.00 C ATOM 507 CD PRO A 34 6.644 -5.396 4.211 1.00 0.00 C ATOM 0 HA PRO A 34 8.531 -5.356 6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.415 -7.097 4.891 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.941 -7.427 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.269 -6.197 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.112 -7.400 3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.430 -4.774 3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.693 -5.802 4.555 1.00 0.00 H new ATOM 515 N HIS A 35 10.930 -5.299 5.597 1.00 0.00 N ATOM 516 CA HIS A 35 12.234 -4.741 5.257 1.00 0.00 C ATOM 517 C HIS A 35 13.302 -5.831 5.235 1.00 0.00 C ATOM 518 O HIS A 35 14.313 -5.737 5.930 1.00 0.00 O ATOM 519 CB HIS A 35 12.622 -3.651 6.256 1.00 0.00 C ATOM 520 CG HIS A 35 13.789 -2.822 5.814 1.00 0.00 C ATOM 521 ND1 HIS A 35 13.729 -1.942 4.754 1.00 0.00 N ATOM 522 CD2 HIS A 35 15.051 -2.742 6.297 1.00 0.00 C ATOM 523 CE1 HIS A 35 14.904 -1.358 4.602 1.00 0.00 C ATOM 524 NE2 HIS A 35 15.723 -1.825 5.527 1.00 0.00 N ATOM 0 H HIS A 35 10.965 -6.232 6.009 1.00 0.00 H new ATOM 0 HA HIS A 35 12.166 -4.303 4.261 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.765 -2.998 6.420 1.00 0.00 H new ATOM 0 HB3 HIS A 35 12.858 -4.115 7.214 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.454 -3.296 7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.153 -0.624 3.850 1.00 0.00 H new ATOM 0 HE2 HIS A 35 16.697 -1.549 5.650 1.00 0.00 H new ATOM 532 N SER A 36 13.069 -6.864 4.431 1.00 0.00 N ATOM 533 CA SER A 36 14.009 -7.975 4.323 1.00 0.00 C ATOM 534 C SER A 36 14.832 -7.865 3.042 1.00 0.00 C ATOM 535 O SER A 36 15.208 -8.873 2.445 1.00 0.00 O ATOM 536 CB SER A 36 13.260 -9.308 4.348 1.00 0.00 C ATOM 537 OG SER A 36 14.160 -10.400 4.250 1.00 0.00 O ATOM 0 H SER A 36 12.239 -6.955 3.846 1.00 0.00 H new ATOM 0 HA SER A 36 14.686 -7.931 5.176 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.685 -9.388 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.548 -9.344 3.524 1.00 0.00 H new ATOM 0 HG SER A 36 14.795 -10.236 3.522 1.00 0.00 H new ATOM 543 N GLY A 37 15.109 -6.633 2.627 1.00 0.00 N ATOM 544 CA GLY A 37 15.886 -6.413 1.422 1.00 0.00 C ATOM 545 C GLY A 37 15.220 -6.993 0.190 1.00 0.00 C ATOM 546 O GLY A 37 15.883 -7.588 -0.661 1.00 0.00 O ATOM 0 H GLY A 37 14.809 -5.783 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.036 -5.343 1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.873 -6.860 1.543 1.00 0.00 H new ATOM 550 N TYR A 38 13.907 -6.821 0.093 1.00 0.00 N ATOM 551 CA TYR A 38 13.150 -7.336 -1.043 1.00 0.00 C ATOM 552 C TYR A 38 13.065 -6.296 -2.156 1.00 0.00 C ATOM 553 O TYR A 38 13.360 -5.119 -1.947 1.00 0.00 O ATOM 554 CB TYR A 38 11.744 -7.744 -0.603 1.00 0.00 C ATOM 555 CG TYR A 38 11.032 -6.685 0.209 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.282 -5.694 -0.412 1.00 0.00 C ATOM 557 CD2 TYR A 38 11.109 -6.675 1.596 1.00 0.00 C ATOM 558 CE1 TYR A 38 9.630 -4.723 0.324 1.00 0.00 C ATOM 559 CE2 TYR A 38 10.459 -5.710 2.341 1.00 0.00 C ATOM 560 CZ TYR A 38 9.721 -4.736 1.700 1.00 0.00 C ATOM 561 OH TYR A 38 9.074 -3.772 2.439 1.00 0.00 O ATOM 0 H TYR A 38 13.344 -6.329 0.787 1.00 0.00 H new ATOM 0 HA TYR A 38 13.671 -8.213 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.148 -7.974 -1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.808 -8.659 -0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.207 -5.682 -1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.687 -7.435 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.053 -3.959 -0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.528 -5.718 3.419 1.00 0.00 H new ATOM 0 HH TYR A 38 9.639 -3.504 3.194 1.00 0.00 H new ATOM 571 N SER A 39 12.659 -6.741 -3.341 1.00 0.00 N ATOM 572 CA SER A 39 12.537 -5.851 -4.490 1.00 0.00 C ATOM 573 C SER A 39 11.121 -5.290 -4.596 1.00 0.00 C ATOM 574 O SER A 39 10.142 -5.999 -4.362 1.00 0.00 O ATOM 575 CB SER A 39 12.900 -6.594 -5.777 1.00 0.00 C ATOM 576 OG SER A 39 11.825 -7.403 -6.221 1.00 0.00 O ATOM 0 H SER A 39 12.409 -7.712 -3.531 1.00 0.00 H new ATOM 0 HA SER A 39 13.229 -5.020 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.163 -5.875 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.780 -7.215 -5.606 1.00 0.00 H new ATOM 0 HG SER A 39 12.083 -7.865 -7.046 1.00 0.00 H new ATOM 582 N ASP A 40 11.022 -4.015 -4.949 1.00 0.00 N ATOM 583 CA ASP A 40 9.727 -3.357 -5.087 1.00 0.00 C ATOM 584 C ASP A 40 8.678 -4.329 -5.616 1.00 0.00 C ATOM 585 O ASP A 40 7.540 -4.346 -5.148 1.00 0.00 O ATOM 586 CB ASP A 40 9.840 -2.152 -6.021 1.00 0.00 C ATOM 587 CG ASP A 40 10.646 -2.458 -7.267 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.888 -2.337 -7.216 1.00 0.00 O ATOM 589 OD2 ASP A 40 10.034 -2.820 -8.294 1.00 0.00 O ATOM 0 H ASP A 40 11.823 -3.415 -5.145 1.00 0.00 H new ATOM 0 HA ASP A 40 9.415 -3.014 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.841 -1.825 -6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.304 -1.324 -5.486 1.00 0.00 H new ATOM 594 N SER A 41 9.069 -5.138 -6.596 1.00 0.00 N ATOM 595 CA SER A 41 8.161 -6.110 -7.193 1.00 0.00 C ATOM 596 C SER A 41 7.359 -6.837 -6.117 1.00 0.00 C ATOM 597 O SER A 41 6.135 -6.931 -6.197 1.00 0.00 O ATOM 598 CB SER A 41 8.943 -7.122 -8.033 1.00 0.00 C ATOM 599 OG SER A 41 8.548 -7.071 -9.392 1.00 0.00 O ATOM 0 H SER A 41 10.009 -5.139 -6.993 1.00 0.00 H new ATOM 0 HA SER A 41 7.467 -5.572 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.011 -6.917 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.781 -8.126 -7.642 1.00 0.00 H new ATOM 0 HG SER A 41 9.064 -7.726 -9.907 1.00 0.00 H new ATOM 605 N ALA A 42 8.060 -7.349 -5.111 1.00 0.00 N ATOM 606 CA ALA A 42 7.414 -8.066 -4.017 1.00 0.00 C ATOM 607 C ALA A 42 6.230 -7.277 -3.469 1.00 0.00 C ATOM 608 O ALA A 42 5.211 -7.853 -3.087 1.00 0.00 O ATOM 609 CB ALA A 42 8.417 -8.354 -2.911 1.00 0.00 C ATOM 0 H ALA A 42 9.075 -7.281 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 42 7.038 -9.012 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.922 -8.889 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.229 -8.964 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.820 -7.415 -2.532 1.00 0.00 H new ATOM 615 N VAL A 43 6.370 -5.956 -3.431 1.00 0.00 N ATOM 616 CA VAL A 43 5.311 -5.089 -2.928 1.00 0.00 C ATOM 617 C VAL A 43 4.179 -4.961 -3.941 1.00 0.00 C ATOM 618 O VAL A 43 3.036 -4.675 -3.580 1.00 0.00 O ATOM 619 CB VAL A 43 5.847 -3.684 -2.595 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.701 -2.694 -2.457 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.684 -3.721 -1.325 1.00 0.00 C ATOM 0 H VAL A 43 7.207 -5.463 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 43 4.930 -5.550 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 43 6.485 -3.354 -3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.099 -1.707 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.146 -2.647 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.036 -3.017 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.055 -2.720 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.071 -4.072 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.527 -4.398 -1.464 1.00 0.00 H new ATOM 631 N LEU A 44 4.503 -5.175 -5.212 1.00 0.00 N ATOM 632 CA LEU A 44 3.512 -5.084 -6.279 1.00 0.00 C ATOM 633 C LEU A 44 2.875 -6.444 -6.548 1.00 0.00 C ATOM 634 O LEU A 44 1.886 -6.545 -7.274 1.00 0.00 O ATOM 635 CB LEU A 44 4.159 -4.550 -7.558 1.00 0.00 C ATOM 636 CG LEU A 44 5.270 -3.516 -7.367 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.024 -3.297 -8.670 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.695 -2.204 -6.855 1.00 0.00 C ATOM 0 H LEU A 44 5.443 -5.412 -5.528 1.00 0.00 H new ATOM 0 HA LEU A 44 2.731 -4.394 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.567 -5.394 -8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.380 -4.106 -8.178 1.00 0.00 H new ATOM 0 HG LEU A 44 5.971 -3.897 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.811 -2.558 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.468 -4.238 -8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.334 -2.938 -9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.500 -1.480 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.973 -1.818 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.200 -2.372 -5.898 1.00 0.00 H new ATOM 650 N LYS A 45 3.447 -7.487 -5.956 1.00 0.00 N ATOM 651 CA LYS A 45 2.935 -8.841 -6.127 1.00 0.00 C ATOM 652 C LYS A 45 1.505 -8.951 -5.607 1.00 0.00 C ATOM 653 O LYS A 45 0.772 -9.872 -5.969 1.00 0.00 O ATOM 654 CB LYS A 45 3.833 -9.844 -5.400 1.00 0.00 C ATOM 655 CG LYS A 45 4.362 -10.950 -6.298 1.00 0.00 C ATOM 656 CD LYS A 45 4.916 -12.108 -5.486 1.00 0.00 C ATOM 657 CE LYS A 45 5.375 -13.248 -6.385 1.00 0.00 C ATOM 658 NZ LYS A 45 4.225 -13.986 -6.975 1.00 0.00 N ATOM 0 H LYS A 45 4.267 -7.420 -5.353 1.00 0.00 H new ATOM 0 HA LYS A 45 2.934 -9.071 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.676 -9.311 -4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.273 -10.291 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.562 -11.308 -6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.143 -10.552 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.753 -11.762 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.152 -12.470 -4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.000 -12.851 -7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.993 -13.938 -5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.575 -14.814 -7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.587 -14.300 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.708 -13.360 -7.625 1.00 0.00 H new ATOM 672 N LEU A 46 1.116 -8.008 -4.758 1.00 0.00 N ATOM 673 CA LEU A 46 -0.228 -7.999 -4.188 1.00 0.00 C ATOM 674 C LEU A 46 -1.189 -7.210 -5.072 1.00 0.00 C ATOM 675 O LEU A 46 -2.372 -7.083 -4.761 1.00 0.00 O ATOM 676 CB LEU A 46 -0.203 -7.398 -2.781 1.00 0.00 C ATOM 677 CG LEU A 46 1.004 -6.519 -2.449 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.689 -5.604 -1.275 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.223 -7.377 -2.146 1.00 0.00 C ATOM 0 H LEU A 46 1.711 -7.239 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.578 -9.030 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.108 -6.805 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.244 -8.213 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 46 1.228 -5.900 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.559 -4.986 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.156 -4.964 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.438 -6.206 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.072 -6.734 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.011 -8.022 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.461 -7.990 -3.015 1.00 0.00 H new ATOM 691 N ALA A 47 -0.671 -6.684 -6.178 1.00 0.00 N ATOM 692 CA ALA A 47 -1.484 -5.913 -7.110 1.00 0.00 C ATOM 693 C ALA A 47 -1.423 -6.506 -8.513 1.00 0.00 C ATOM 694 O ALA A 47 -2.323 -6.295 -9.325 1.00 0.00 O ATOM 695 CB ALA A 47 -1.030 -4.461 -7.129 1.00 0.00 C ATOM 0 H ALA A 47 0.308 -6.778 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.519 -5.955 -6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.646 -3.896 -7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.132 -4.035 -6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.013 -4.410 -7.440 1.00 0.00 H new ATOM 701 N GLU A 48 -0.356 -7.249 -8.791 1.00 0.00 N ATOM 702 CA GLU A 48 -0.178 -7.870 -10.098 1.00 0.00 C ATOM 703 C GLU A 48 -1.464 -8.552 -10.555 1.00 0.00 C ATOM 704 O GLU A 48 -2.047 -8.209 -11.584 1.00 0.00 O ATOM 705 CB GLU A 48 0.963 -8.889 -10.051 1.00 0.00 C ATOM 706 CG GLU A 48 2.248 -8.395 -10.696 1.00 0.00 C ATOM 707 CD GLU A 48 2.340 -8.758 -12.165 1.00 0.00 C ATOM 708 OE1 GLU A 48 2.160 -9.949 -12.493 1.00 0.00 O ATOM 709 OE2 GLU A 48 2.593 -7.852 -12.986 1.00 0.00 O ATOM 0 H GLU A 48 0.397 -7.435 -8.129 1.00 0.00 H new ATOM 0 HA GLU A 48 0.072 -7.087 -10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.165 -9.148 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.643 -9.803 -10.551 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.311 -7.312 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.102 -8.818 -10.167 1.00 0.00 H new ATOM 716 N PRO A 49 -1.919 -9.542 -9.772 1.00 0.00 N ATOM 717 CA PRO A 49 -3.141 -10.293 -10.076 1.00 0.00 C ATOM 718 C PRO A 49 -4.399 -9.448 -9.905 1.00 0.00 C ATOM 719 O PRO A 49 -5.515 -9.939 -10.070 1.00 0.00 O ATOM 720 CB PRO A 49 -3.120 -11.433 -9.054 1.00 0.00 C ATOM 721 CG PRO A 49 -2.310 -10.909 -7.919 1.00 0.00 C ATOM 722 CD PRO A 49 -1.276 -10.004 -8.531 1.00 0.00 C ATOM 0 HA PRO A 49 -3.164 -10.631 -11.112 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.128 -11.696 -8.733 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.675 -12.334 -9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.936 -10.365 -7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.839 -11.723 -7.367 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.030 -9.171 -7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.346 -10.536 -8.734 1.00 0.00 H new ATOM 730 N TYR A 50 -4.210 -8.176 -9.575 1.00 0.00 N ATOM 731 CA TYR A 50 -5.330 -7.262 -9.380 1.00 0.00 C ATOM 732 C TYR A 50 -5.468 -6.309 -10.563 1.00 0.00 C ATOM 733 O TYR A 50 -6.577 -5.989 -10.990 1.00 0.00 O ATOM 734 CB TYR A 50 -5.146 -6.464 -8.087 1.00 0.00 C ATOM 735 CG TYR A 50 -5.358 -7.285 -6.835 1.00 0.00 C ATOM 736 CD1 TYR A 50 -6.623 -7.423 -6.277 1.00 0.00 C ATOM 737 CD2 TYR A 50 -4.293 -7.921 -6.210 1.00 0.00 C ATOM 738 CE1 TYR A 50 -6.821 -8.170 -5.132 1.00 0.00 C ATOM 739 CE2 TYR A 50 -4.482 -8.672 -5.065 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.748 -8.793 -4.530 1.00 0.00 C ATOM 741 OH TYR A 50 -5.942 -9.539 -3.390 1.00 0.00 O ATOM 0 H TYR A 50 -3.292 -7.754 -9.437 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.241 -7.856 -9.306 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.141 -6.043 -8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.843 -5.626 -8.085 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.466 -6.938 -6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.301 -7.827 -6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.811 -8.266 -4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.643 -9.161 -4.592 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.086 -9.911 -3.093 1.00 0.00 H new ATOM 751 N GLY A 51 -4.333 -5.859 -11.089 1.00 0.00 N ATOM 752 CA GLY A 51 -4.348 -4.948 -12.218 1.00 0.00 C ATOM 753 C GLY A 51 -2.953 -4.557 -12.666 1.00 0.00 C ATOM 754 O GLY A 51 -1.977 -4.779 -11.948 1.00 0.00 O ATOM 0 H GLY A 51 -3.403 -6.109 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.876 -5.414 -13.050 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.905 -4.050 -11.949 1.00 0.00 H new ATOM 758 N LYS A 52 -2.858 -3.974 -13.855 1.00 0.00 N ATOM 759 CA LYS A 52 -1.572 -3.551 -14.400 1.00 0.00 C ATOM 760 C LYS A 52 -1.004 -2.380 -13.605 1.00 0.00 C ATOM 761 O LYS A 52 -1.624 -1.320 -13.514 1.00 0.00 O ATOM 762 CB LYS A 52 -1.723 -3.157 -15.871 1.00 0.00 C ATOM 763 CG LYS A 52 -1.550 -4.319 -16.833 1.00 0.00 C ATOM 764 CD LYS A 52 -1.021 -3.855 -18.180 1.00 0.00 C ATOM 765 CE LYS A 52 -2.062 -4.025 -19.276 1.00 0.00 C ATOM 766 NZ LYS A 52 -1.918 -2.995 -20.342 1.00 0.00 N ATOM 0 H LYS A 52 -3.656 -3.783 -14.461 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.880 -4.389 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.708 -2.716 -16.021 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.989 -2.387 -16.109 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.864 -5.049 -16.404 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.506 -4.824 -16.971 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.727 -2.807 -18.115 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.126 -4.422 -18.436 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.968 -5.018 -19.715 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.060 -3.962 -18.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.645 -3.145 -21.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.033 -2.048 -19.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.975 -3.072 -20.774 1.00 0.00 H new ATOM 780 N ILE A 53 0.179 -2.579 -13.032 1.00 0.00 N ATOM 781 CA ILE A 53 0.831 -1.538 -12.247 1.00 0.00 C ATOM 782 C ILE A 53 1.330 -0.407 -13.141 1.00 0.00 C ATOM 783 O ILE A 53 2.397 -0.504 -13.748 1.00 0.00 O ATOM 784 CB ILE A 53 2.016 -2.100 -11.441 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.545 -3.232 -10.524 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.677 -0.995 -10.631 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.502 -4.401 -10.469 1.00 0.00 C ATOM 0 H ILE A 53 0.705 -3.451 -13.097 1.00 0.00 H new ATOM 0 HA ILE A 53 0.083 -1.149 -11.556 1.00 0.00 H new ATOM 0 HB ILE A 53 2.752 -2.503 -12.137 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.406 -2.839 -9.517 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.572 -3.585 -10.866 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.513 -1.408 -10.067 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.042 -0.219 -11.304 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.951 -0.565 -9.941 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.105 -5.165 -9.801 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.623 -4.820 -11.468 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.469 -4.062 -10.098 1.00 0.00 H new ATOM 799 N LYS A 54 0.552 0.668 -13.216 1.00 0.00 N ATOM 800 CA LYS A 54 0.915 1.820 -14.032 1.00 0.00 C ATOM 801 C LYS A 54 1.991 2.655 -13.346 1.00 0.00 C ATOM 802 O LYS A 54 2.850 3.240 -14.004 1.00 0.00 O ATOM 803 CB LYS A 54 -0.318 2.684 -14.308 1.00 0.00 C ATOM 804 CG LYS A 54 -0.735 2.700 -15.769 1.00 0.00 C ATOM 805 CD LYS A 54 -1.337 1.371 -16.191 1.00 0.00 C ATOM 806 CE LYS A 54 -0.813 0.928 -17.549 1.00 0.00 C ATOM 807 NZ LYS A 54 -0.902 -0.548 -17.723 1.00 0.00 N ATOM 0 H LYS A 54 -0.335 0.765 -12.721 1.00 0.00 H new ATOM 0 HA LYS A 54 1.313 1.453 -14.978 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.150 2.319 -13.705 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.115 3.705 -13.985 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.460 3.497 -15.933 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.130 2.923 -16.393 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.104 0.612 -15.445 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.423 1.458 -16.229 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.382 1.422 -18.337 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.224 1.245 -17.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.003 -0.773 -18.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.038 -0.994 -17.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.727 -0.910 -17.204 1.00 0.00 H new ATOM 821 N ASN A 55 1.938 2.706 -12.019 1.00 0.00 N ATOM 822 CA ASN A 55 2.909 3.470 -11.244 1.00 0.00 C ATOM 823 C ASN A 55 2.949 2.988 -9.796 1.00 0.00 C ATOM 824 O ASN A 55 1.951 2.501 -9.265 1.00 0.00 O ATOM 825 CB ASN A 55 2.570 4.961 -11.288 1.00 0.00 C ATOM 826 CG ASN A 55 3.772 5.817 -11.634 1.00 0.00 C ATOM 827 OD1 ASN A 55 3.846 6.394 -12.719 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.722 5.904 -10.710 1.00 0.00 N ATOM 0 H ASN A 55 1.233 2.228 -11.458 1.00 0.00 H new ATOM 0 HA ASN A 55 3.893 3.316 -11.688 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.783 5.130 -12.023 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.174 5.270 -10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.555 6.466 -10.886 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.619 5.409 -9.824 1.00 0.00 H new ATOM 835 N TYR A 56 4.109 3.129 -9.164 1.00 0.00 N ATOM 836 CA TYR A 56 4.280 2.706 -7.779 1.00 0.00 C ATOM 837 C TYR A 56 5.370 3.524 -7.091 1.00 0.00 C ATOM 838 O TYR A 56 6.176 4.182 -7.749 1.00 0.00 O ATOM 839 CB TYR A 56 4.628 1.218 -7.716 1.00 0.00 C ATOM 840 CG TYR A 56 6.091 0.927 -7.959 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.593 0.810 -9.250 1.00 0.00 C ATOM 842 CD2 TYR A 56 6.974 0.770 -6.897 1.00 0.00 C ATOM 843 CE1 TYR A 56 7.928 0.543 -9.476 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.313 0.505 -7.114 1.00 0.00 C ATOM 845 CZ TYR A 56 8.785 0.391 -8.404 1.00 0.00 C ATOM 846 OH TYR A 56 10.117 0.128 -8.626 1.00 0.00 O ATOM 0 H TYR A 56 4.944 3.533 -9.588 1.00 0.00 H new ATOM 0 HA TYR A 56 3.339 2.874 -7.256 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.347 0.829 -6.737 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.032 0.683 -8.455 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.926 0.930 -10.091 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.607 0.857 -5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.300 0.453 -10.486 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.986 0.388 -6.277 1.00 0.00 H new ATOM 0 HH TYR A 56 10.623 0.285 -7.802 1.00 0.00 H new ATOM 856 N ILE A 57 5.387 3.475 -5.764 1.00 0.00 N ATOM 857 CA ILE A 57 6.377 4.209 -4.986 1.00 0.00 C ATOM 858 C ILE A 57 6.829 3.405 -3.771 1.00 0.00 C ATOM 859 O ILE A 57 6.006 2.937 -2.982 1.00 0.00 O ATOM 860 CB ILE A 57 5.828 5.568 -4.512 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.736 6.542 -5.689 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.708 6.140 -3.411 1.00 0.00 C ATOM 863 CD1 ILE A 57 7.072 7.115 -6.105 1.00 0.00 C ATOM 0 H ILE A 57 4.727 2.935 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 57 7.229 4.380 -5.644 1.00 0.00 H new ATOM 0 HB ILE A 57 4.827 5.419 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.289 6.029 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.066 7.360 -5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.307 7.100 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.728 5.451 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.721 6.279 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.930 7.796 -6.944 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.512 7.657 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.738 6.305 -6.404 1.00 0.00 H new ATOM 875 N LEU A 58 8.140 3.249 -3.625 1.00 0.00 N ATOM 876 CA LEU A 58 8.701 2.503 -2.504 1.00 0.00 C ATOM 877 C LEU A 58 9.533 3.414 -1.606 1.00 0.00 C ATOM 878 O LEU A 58 10.712 3.650 -1.867 1.00 0.00 O ATOM 879 CB LEU A 58 9.562 1.347 -3.016 1.00 0.00 C ATOM 880 CG LEU A 58 9.131 -0.054 -2.584 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.188 -0.187 -1.069 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.732 -0.364 -3.096 1.00 0.00 C ATOM 0 H LEU A 58 8.834 3.629 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 58 7.876 2.101 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.572 1.382 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.587 1.509 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 58 9.823 -0.776 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.878 -1.191 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.207 -0.009 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.520 0.544 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.442 -1.366 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.027 0.363 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.723 -0.312 -4.185 1.00 0.00 H new ATOM 894 N MET A 59 8.910 3.919 -0.546 1.00 0.00 N ATOM 895 CA MET A 59 9.595 4.801 0.392 1.00 0.00 C ATOM 896 C MET A 59 10.099 4.021 1.602 1.00 0.00 C ATOM 897 O MET A 59 9.385 3.185 2.155 1.00 0.00 O ATOM 898 CB MET A 59 8.658 5.922 0.848 1.00 0.00 C ATOM 899 CG MET A 59 7.849 6.535 -0.284 1.00 0.00 C ATOM 900 SD MET A 59 6.463 7.524 0.311 1.00 0.00 S ATOM 901 CE MET A 59 5.905 8.275 -1.216 1.00 0.00 C ATOM 0 H MET A 59 7.934 3.733 -0.315 1.00 0.00 H new ATOM 0 HA MET A 59 10.452 5.239 -0.119 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.975 5.530 1.601 1.00 0.00 H new ATOM 0 HB3 MET A 59 9.247 6.704 1.328 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.501 7.160 -0.895 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.473 5.741 -0.929 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.418 9.225 -0.997 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.760 8.447 -1.870 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.197 7.610 -1.711 1.00 0.00 H new ATOM 911 N ARG A 60 11.334 4.300 2.007 1.00 0.00 N ATOM 912 CA ARG A 60 11.934 3.622 3.150 1.00 0.00 C ATOM 913 C ARG A 60 11.740 4.435 4.427 1.00 0.00 C ATOM 914 O ARG A 60 11.786 3.895 5.532 1.00 0.00 O ATOM 915 CB ARG A 60 13.425 3.385 2.905 1.00 0.00 C ATOM 916 CG ARG A 60 13.714 2.169 2.040 1.00 0.00 C ATOM 917 CD ARG A 60 14.717 2.491 0.943 1.00 0.00 C ATOM 918 NE ARG A 60 16.082 2.144 1.330 1.00 0.00 N ATOM 919 CZ ARG A 60 17.162 2.661 0.755 1.00 0.00 C ATOM 920 NH1 ARG A 60 17.038 3.543 -0.227 1.00 0.00 N ATOM 921 NH2 ARG A 60 18.371 2.294 1.162 1.00 0.00 N ATOM 0 H ARG A 60 11.938 4.990 1.561 1.00 0.00 H new ATOM 0 HA ARG A 60 11.436 2.660 3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.851 4.268 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.928 3.266 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.101 1.362 2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.787 1.811 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.449 1.949 0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.666 3.554 0.706 1.00 0.00 H new ATOM 0 HE ARG A 60 16.213 1.468 2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 60 16.111 3.827 -0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 60 17.870 3.938 -0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 60 18.471 1.615 1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 60 19.200 2.691 0.720 1.00 0.00 H new ATOM 935 N MET A 61 11.524 5.737 4.266 1.00 0.00 N ATOM 936 CA MET A 61 11.323 6.624 5.405 1.00 0.00 C ATOM 937 C MET A 61 10.444 5.961 6.462 1.00 0.00 C ATOM 938 O MET A 61 10.901 5.664 7.568 1.00 0.00 O ATOM 939 CB MET A 61 10.688 7.939 4.950 1.00 0.00 C ATOM 940 CG MET A 61 11.540 9.162 5.251 1.00 0.00 C ATOM 941 SD MET A 61 11.614 9.540 7.012 1.00 0.00 S ATOM 942 CE MET A 61 13.100 10.539 7.081 1.00 0.00 C ATOM 0 H MET A 61 11.484 6.200 3.358 1.00 0.00 H new ATOM 0 HA MET A 61 12.297 6.833 5.846 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.502 7.891 3.877 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.719 8.053 5.437 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.550 8.998 4.876 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.137 10.022 4.715 1.00 0.00 H new ATOM 0 HE1 MET A 61 13.281 10.851 8.110 1.00 0.00 H new ATOM 0 HE2 MET A 61 13.948 9.955 6.725 1.00 0.00 H new ATOM 0 HE3 MET A 61 12.976 11.420 6.451 1.00 0.00 H new ATOM 952 N LYS A 62 9.183 5.731 6.117 1.00 0.00 N ATOM 953 CA LYS A 62 8.240 5.101 7.035 1.00 0.00 C ATOM 954 C LYS A 62 7.707 3.795 6.456 1.00 0.00 C ATOM 955 O LYS A 62 6.513 3.507 6.545 1.00 0.00 O ATOM 956 CB LYS A 62 7.077 6.051 7.334 1.00 0.00 C ATOM 957 CG LYS A 62 7.413 7.120 8.361 1.00 0.00 C ATOM 958 CD LYS A 62 7.003 8.502 7.881 1.00 0.00 C ATOM 959 CE LYS A 62 5.656 8.914 8.455 1.00 0.00 C ATOM 960 NZ LYS A 62 5.729 9.150 9.923 1.00 0.00 N ATOM 0 H LYS A 62 8.789 5.971 5.207 1.00 0.00 H new ATOM 0 HA LYS A 62 8.768 4.878 7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.766 6.534 6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.227 5.470 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.908 6.895 9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.484 7.107 8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.761 9.229 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.954 8.510 6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.311 9.821 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.920 8.137 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.963 9.793 10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.628 8.245 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.647 9.578 10.161 1.00 0.00 H new ATOM 974 N SER A 63 8.600 3.007 5.865 1.00 0.00 N ATOM 975 CA SER A 63 8.218 1.732 5.270 1.00 0.00 C ATOM 976 C SER A 63 6.874 1.845 4.557 1.00 0.00 C ATOM 977 O SER A 63 6.046 0.938 4.624 1.00 0.00 O ATOM 978 CB SER A 63 8.149 0.645 6.344 1.00 0.00 C ATOM 979 OG SER A 63 9.430 0.386 6.891 1.00 0.00 O ATOM 0 H SER A 63 9.592 3.229 5.786 1.00 0.00 H new ATOM 0 HA SER A 63 8.976 1.460 4.536 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.468 0.955 7.136 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.742 -0.270 5.914 1.00 0.00 H new ATOM 0 HG SER A 63 9.358 -0.311 7.576 1.00 0.00 H new ATOM 985 N GLN A 64 6.666 2.966 3.874 1.00 0.00 N ATOM 986 CA GLN A 64 5.423 3.199 3.149 1.00 0.00 C ATOM 987 C GLN A 64 5.642 3.092 1.644 1.00 0.00 C ATOM 988 O GLN A 64 6.717 3.411 1.139 1.00 0.00 O ATOM 989 CB GLN A 64 4.856 4.577 3.497 1.00 0.00 C ATOM 990 CG GLN A 64 4.486 4.730 4.963 1.00 0.00 C ATOM 991 CD GLN A 64 3.297 5.649 5.173 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.503 5.872 4.259 1.00 0.00 O ATOM 993 NE2 GLN A 64 3.171 6.187 6.380 1.00 0.00 N ATOM 0 H GLN A 64 7.342 3.727 3.808 1.00 0.00 H new ATOM 0 HA GLN A 64 4.708 2.433 3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.590 5.339 3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.972 4.762 2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.260 3.749 5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.343 5.120 5.511 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.854 5.974 7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.392 6.814 6.580 1.00 0.00 H new ATOM 1002 N ALA A 65 4.615 2.638 0.933 1.00 0.00 N ATOM 1003 CA ALA A 65 4.695 2.490 -0.515 1.00 0.00 C ATOM 1004 C ALA A 65 3.316 2.608 -1.156 1.00 0.00 C ATOM 1005 O ALA A 65 2.314 2.181 -0.581 1.00 0.00 O ATOM 1006 CB ALA A 65 5.333 1.156 -0.875 1.00 0.00 C ATOM 0 H ALA A 65 3.718 2.366 1.336 1.00 0.00 H new ATOM 0 HA ALA A 65 5.318 3.295 -0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.386 1.059 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.338 1.109 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.732 0.343 -0.467 1.00 0.00 H new ATOM 1012 N PHE A 66 3.271 3.191 -2.350 1.00 0.00 N ATOM 1013 CA PHE A 66 2.015 3.367 -3.069 1.00 0.00 C ATOM 1014 C PHE A 66 2.002 2.541 -4.351 1.00 0.00 C ATOM 1015 O PHE A 66 3.053 2.204 -4.895 1.00 0.00 O ATOM 1016 CB PHE A 66 1.794 4.846 -3.397 1.00 0.00 C ATOM 1017 CG PHE A 66 1.681 5.720 -2.181 1.00 0.00 C ATOM 1018 CD1 PHE A 66 0.548 5.677 -1.384 1.00 0.00 C ATOM 1019 CD2 PHE A 66 2.707 6.584 -1.835 1.00 0.00 C ATOM 1020 CE1 PHE A 66 0.441 6.481 -0.265 1.00 0.00 C ATOM 1021 CE2 PHE A 66 2.606 7.390 -0.717 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.472 7.338 0.069 1.00 0.00 C ATOM 0 H PHE A 66 4.091 3.550 -2.840 1.00 0.00 H new ATOM 0 HA PHE A 66 1.205 3.020 -2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.620 5.200 -4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.886 4.946 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.260 5.008 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.596 6.628 -2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.447 6.439 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.413 8.060 -0.458 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.391 7.966 0.944 1.00 0.00 H new ATOM 1032 N ILE A 67 0.804 2.221 -4.828 1.00 0.00 N ATOM 1033 CA ILE A 67 0.653 1.435 -6.047 1.00 0.00 C ATOM 1034 C ILE A 67 -0.607 1.835 -6.806 1.00 0.00 C ATOM 1035 O ILE A 67 -1.716 1.457 -6.431 1.00 0.00 O ATOM 1036 CB ILE A 67 0.597 -0.074 -5.742 1.00 0.00 C ATOM 1037 CG1 ILE A 67 1.838 -0.504 -4.957 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.477 -0.871 -7.031 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.783 -1.936 -4.475 1.00 0.00 C ATOM 0 H ILE A 67 -0.076 2.493 -4.390 1.00 0.00 H new ATOM 0 HA ILE A 67 1.528 1.640 -6.664 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.284 -0.274 -5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.719 -0.375 -5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.961 0.155 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.439 -1.935 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.434 -0.581 -7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.340 -0.669 -7.665 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.695 -2.171 -3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.922 -2.066 -3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.692 -2.605 -5.331 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.428 2.601 -7.877 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.552 3.052 -8.691 1.00 0.00 C ATOM 1053 C GLU A 68 -1.949 1.987 -9.707 1.00 0.00 C ATOM 1054 O GLU A 68 -1.270 1.790 -10.715 1.00 0.00 O ATOM 1055 CB GLU A 68 -1.198 4.354 -9.413 1.00 0.00 C ATOM 1056 CG GLU A 68 -2.217 4.764 -10.462 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.719 5.889 -11.350 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.877 6.684 -10.883 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.173 5.974 -12.510 1.00 0.00 O ATOM 0 H GLU A 68 0.484 2.923 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.399 3.231 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.104 5.153 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.224 4.242 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.465 3.901 -11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.137 5.076 -9.967 1.00 0.00 H new ATOM 1066 N MET A 69 -3.054 1.300 -9.435 1.00 0.00 N ATOM 1067 CA MET A 69 -3.543 0.254 -10.325 1.00 0.00 C ATOM 1068 C MET A 69 -3.953 0.837 -11.674 1.00 0.00 C ATOM 1069 O MET A 69 -4.189 2.039 -11.795 1.00 0.00 O ATOM 1070 CB MET A 69 -4.729 -0.474 -9.690 1.00 0.00 C ATOM 1071 CG MET A 69 -4.433 -1.020 -8.302 1.00 0.00 C ATOM 1072 SD MET A 69 -4.637 -2.808 -8.200 1.00 0.00 S ATOM 1073 CE MET A 69 -3.550 -3.348 -9.518 1.00 0.00 C ATOM 0 H MET A 69 -3.628 1.449 -8.605 1.00 0.00 H new ATOM 0 HA MET A 69 -2.734 -0.458 -10.487 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.575 0.210 -9.630 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.030 -1.297 -10.339 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.412 -0.758 -8.023 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.094 -0.541 -7.579 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.442 -4.432 -9.480 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.973 -3.059 -10.480 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.572 -2.882 -9.397 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.036 -0.023 -12.684 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.418 0.409 -14.024 1.00 0.00 C ATOM 1085 C GLU A 70 -5.845 0.950 -14.036 1.00 0.00 C ATOM 1086 O GLU A 70 -6.170 1.861 -14.797 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.292 -0.751 -15.014 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.556 -0.353 -16.455 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.109 -1.496 -17.285 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -5.759 -2.389 -16.703 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.892 -1.497 -18.514 1.00 0.00 O ATOM 0 H GLU A 70 -3.844 -1.021 -12.601 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.742 1.209 -14.326 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.290 -1.173 -14.940 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.991 -1.538 -14.730 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.260 0.479 -16.475 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.629 0.003 -16.905 1.00 0.00 H new ATOM 1098 N THR A 71 -6.695 0.378 -13.187 1.00 0.00 N ATOM 1099 CA THR A 71 -8.087 0.800 -13.101 1.00 0.00 C ATOM 1100 C THR A 71 -8.604 0.698 -11.670 1.00 0.00 C ATOM 1101 O THR A 71 -8.146 -0.138 -10.893 1.00 0.00 O ATOM 1102 CB THR A 71 -8.988 -0.045 -14.022 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.325 -1.279 -13.378 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.295 -0.329 -15.345 1.00 0.00 C ATOM 0 H THR A 71 -6.443 -0.378 -12.550 1.00 0.00 H new ATOM 0 HA THR A 71 -8.123 1.840 -13.425 1.00 0.00 H new ATOM 0 HB THR A 71 -9.898 0.520 -14.222 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.527 -1.845 -13.318 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.951 -0.927 -15.978 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.067 0.612 -15.845 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.370 -0.876 -15.161 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.561 1.556 -11.330 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.140 1.563 -9.992 1.00 0.00 C ATOM 1114 C ARG A 72 -10.645 0.174 -9.611 1.00 0.00 C ATOM 1115 O ARG A 72 -10.466 -0.272 -8.478 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.286 2.573 -9.915 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.620 3.008 -8.496 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.521 4.233 -8.487 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.668 4.061 -7.600 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.360 5.073 -7.088 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -14.021 6.323 -7.374 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -15.392 4.837 -6.288 1.00 0.00 N ATOM 0 H ARG A 72 -9.951 2.255 -11.962 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.361 1.853 -9.287 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.024 3.452 -10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.175 2.137 -10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.111 2.190 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.699 3.228 -7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.946 5.104 -8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.872 4.432 -9.499 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.954 3.112 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.228 6.509 -7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.553 7.099 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.655 3.877 -6.065 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.922 5.615 -5.896 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.276 -0.503 -10.565 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.808 -1.839 -10.327 1.00 0.00 C ATOM 1138 C GLU A 73 -10.764 -2.729 -9.659 1.00 0.00 C ATOM 1139 O GLU A 73 -11.077 -3.493 -8.745 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.265 -2.472 -11.644 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.650 -2.028 -12.084 1.00 0.00 C ATOM 1142 CD GLU A 73 -13.624 -1.214 -13.362 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -12.886 -0.209 -13.412 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -14.343 -1.583 -14.315 1.00 0.00 O ATOM 0 H GLU A 73 -11.431 -0.149 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.664 -1.748 -9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.547 -2.223 -12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.257 -3.557 -11.538 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.279 -2.906 -12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.107 -1.437 -11.290 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.523 -2.626 -10.121 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.432 -3.420 -9.569 1.00 0.00 C ATOM 1153 C ASP A 74 -8.093 -2.967 -8.152 1.00 0.00 C ATOM 1154 O ASP A 74 -8.190 -3.742 -7.202 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.194 -3.315 -10.461 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.487 -3.682 -11.902 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.223 -4.666 -12.127 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.981 -2.984 -12.806 1.00 0.00 O ATOM 0 H ASP A 74 -9.247 -2.000 -10.877 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.756 -4.460 -9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.805 -2.297 -10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.414 -3.970 -10.074 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.694 -1.706 -8.019 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.341 -1.149 -6.720 1.00 0.00 C ATOM 1165 C ALA A 75 -8.383 -1.512 -5.667 1.00 0.00 C ATOM 1166 O ALA A 75 -8.050 -2.056 -4.613 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.190 0.362 -6.816 1.00 0.00 C ATOM 0 H ALA A 75 -7.607 -1.051 -8.796 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.387 -1.579 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.926 0.764 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.405 0.604 -7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.131 0.801 -7.147 1.00 0.00 H new ATOM 1173 N MET A 76 -9.643 -1.208 -5.957 1.00 0.00 N ATOM 1174 CA MET A 76 -10.733 -1.503 -5.035 1.00 0.00 C ATOM 1175 C MET A 76 -10.718 -2.974 -4.629 1.00 0.00 C ATOM 1176 O MET A 76 -10.863 -3.304 -3.452 1.00 0.00 O ATOM 1177 CB MET A 76 -12.079 -1.153 -5.672 1.00 0.00 C ATOM 1178 CG MET A 76 -12.282 0.340 -5.878 1.00 0.00 C ATOM 1179 SD MET A 76 -13.069 1.136 -4.465 1.00 0.00 S ATOM 1180 CE MET A 76 -12.130 2.658 -4.368 1.00 0.00 C ATOM 0 H MET A 76 -9.935 -0.757 -6.824 1.00 0.00 H new ATOM 0 HA MET A 76 -10.593 -0.895 -4.141 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.159 -1.659 -6.634 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.881 -1.537 -5.042 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.317 0.811 -6.065 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.892 0.500 -6.767 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.815 2.826 -3.338 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.251 2.585 -5.009 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.751 3.491 -4.698 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.542 -3.852 -5.610 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.507 -5.287 -5.355 1.00 0.00 C ATOM 1192 C ALA A 77 -9.402 -5.641 -4.365 1.00 0.00 C ATOM 1193 O ALA A 77 -9.573 -6.516 -3.516 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.315 -6.051 -6.656 1.00 0.00 C ATOM 0 H ALA A 77 -10.421 -3.595 -6.590 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.462 -5.576 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.291 -7.121 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.141 -5.831 -7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.376 -5.750 -7.120 1.00 0.00 H new ATOM 1200 N MET A 78 -8.269 -4.956 -4.479 1.00 0.00 N ATOM 1201 CA MET A 78 -7.137 -5.198 -3.593 1.00 0.00 C ATOM 1202 C MET A 78 -7.475 -4.805 -2.158 1.00 0.00 C ATOM 1203 O MET A 78 -7.523 -5.652 -1.267 1.00 0.00 O ATOM 1204 CB MET A 78 -5.911 -4.419 -4.072 1.00 0.00 C ATOM 1205 CG MET A 78 -4.607 -4.897 -3.453 1.00 0.00 C ATOM 1206 SD MET A 78 -3.166 -4.047 -4.127 1.00 0.00 S ATOM 1207 CE MET A 78 -1.930 -4.449 -2.896 1.00 0.00 C ATOM 0 H MET A 78 -8.111 -4.229 -5.176 1.00 0.00 H new ATOM 0 HA MET A 78 -6.912 -6.264 -3.615 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.840 -4.500 -5.157 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.048 -3.363 -3.840 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.643 -4.743 -2.375 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.502 -5.969 -3.619 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.676 -3.553 -2.330 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.324 -5.207 -2.219 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.037 -4.832 -3.389 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.709 -3.514 -1.943 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.044 -3.009 -0.617 1.00 0.00 C ATOM 1219 C VAL A 79 -9.148 -3.841 0.027 1.00 0.00 C ATOM 1220 O VAL A 79 -9.126 -4.096 1.230 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.492 -1.536 -0.673 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.398 -0.668 -1.275 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.785 -1.405 -1.464 1.00 0.00 C ATOM 0 H VAL A 79 -7.673 -2.799 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.139 -3.083 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.677 -1.190 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.732 0.369 -1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.498 -0.741 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.178 -1.009 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.088 -0.359 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.628 -1.767 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.566 -1.995 -0.985 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.112 -4.262 -0.785 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.226 -5.067 -0.296 1.00 0.00 C ATOM 1235 C ASP A 80 -10.732 -6.408 0.238 1.00 0.00 C ATOM 1236 O ASP A 80 -10.967 -6.751 1.397 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.247 -5.292 -1.411 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.552 -4.563 -1.157 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -13.557 -3.316 -1.223 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.568 -5.239 -0.892 1.00 0.00 O ATOM 0 H ASP A 80 -10.145 -4.059 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.705 -4.525 0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.825 -4.957 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.444 -6.360 -1.509 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.048 -7.163 -0.615 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.523 -8.468 -0.229 1.00 0.00 C ATOM 1247 C HIS A 81 -8.845 -8.399 1.135 1.00 0.00 C ATOM 1248 O HIS A 81 -8.799 -9.387 1.868 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.532 -8.974 -1.279 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.359 -10.462 -1.272 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -8.923 -11.290 -2.219 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -7.679 -11.270 -0.426 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -8.598 -12.542 -1.956 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -7.843 -12.558 -0.873 1.00 0.00 N ATOM 0 H HIS A 81 -9.844 -6.894 -1.578 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.360 -9.164 -0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.870 -8.661 -2.267 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.564 -8.503 -1.109 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.113 -10.960 0.440 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -8.899 -13.406 -2.529 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -7.446 -13.391 -0.439 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.318 -7.226 1.469 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.640 -7.027 2.746 1.00 0.00 C ATOM 1264 C CYS A 82 -8.649 -6.853 3.876 1.00 0.00 C ATOM 1265 O CYS A 82 -8.402 -7.261 5.011 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.719 -5.808 2.674 1.00 0.00 C ATOM 1267 SG CYS A 82 -5.886 -5.419 4.231 1.00 0.00 S ATOM 0 H CYS A 82 -8.347 -6.398 0.874 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.040 -7.913 2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.966 -5.980 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.303 -4.943 2.361 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.536 -5.961 5.218 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.785 -6.241 3.559 1.00 0.00 N ATOM 1274 CA LEU A 83 -10.831 -6.009 4.548 1.00 0.00 C ATOM 1275 C LEU A 83 -11.487 -7.322 4.965 1.00 0.00 C ATOM 1276 O LEU A 83 -11.552 -7.647 6.151 1.00 0.00 O ATOM 1277 CB LEU A 83 -11.886 -5.054 3.988 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.397 -3.651 3.625 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.206 -3.088 2.467 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.479 -2.729 4.832 1.00 0.00 C ATOM 0 H LEU A 83 -10.005 -5.897 2.624 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.372 -5.558 5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.321 -5.507 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.687 -4.959 4.721 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.354 -3.719 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.844 -2.089 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.097 -3.737 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.257 -3.034 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.127 -1.735 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.513 -2.666 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.856 -3.124 5.635 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.969 -8.075 3.982 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.615 -9.355 4.245 1.00 0.00 C ATOM 1294 C LYS A 84 -11.601 -10.390 4.719 1.00 0.00 C ATOM 1295 O LYS A 84 -11.869 -11.158 5.644 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.324 -9.859 2.986 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.533 -9.026 2.592 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.309 -8.308 1.272 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.508 -9.241 0.088 1.00 0.00 C ATOM 1300 NZ LYS A 84 -14.504 -8.505 -1.206 1.00 0.00 N ATOM 0 H LYS A 84 -11.924 -7.820 2.995 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.351 -9.206 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.614 -9.868 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.640 -10.890 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.409 -9.669 2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.743 -8.296 3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.998 -7.467 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.300 -7.897 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.718 -9.992 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.453 -9.773 0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.336 -8.782 -1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.534 -7.482 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.639 -8.737 -1.735 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.436 -10.405 4.083 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.378 -11.343 4.441 1.00 0.00 C ATOM 1316 C LYS A 85 -8.091 -10.604 4.793 1.00 0.00 C ATOM 1317 O LYS A 85 -7.772 -9.575 4.200 1.00 0.00 O ATOM 1318 CB LYS A 85 -9.121 -12.317 3.289 1.00 0.00 C ATOM 1319 CG LYS A 85 -8.033 -13.334 3.584 1.00 0.00 C ATOM 1320 CD LYS A 85 -8.481 -14.746 3.246 1.00 0.00 C ATOM 1321 CE LYS A 85 -7.347 -15.745 3.413 1.00 0.00 C ATOM 1322 NZ LYS A 85 -7.694 -16.820 4.385 1.00 0.00 N ATOM 0 H LYS A 85 -10.199 -9.777 3.315 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.705 -11.904 5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.046 -12.844 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.845 -11.750 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.139 -13.088 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.760 -13.281 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.314 -15.029 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.847 -14.777 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.111 -16.191 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.451 -15.224 3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.896 -17.481 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.895 -16.397 5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.534 -17.333 4.050 1.00 0.00 H new ATOM 1336 N ALA A 86 -7.355 -11.139 5.763 1.00 0.00 N ATOM 1337 CA ALA A 86 -6.101 -10.531 6.192 1.00 0.00 C ATOM 1338 C ALA A 86 -5.007 -10.736 5.149 1.00 0.00 C ATOM 1339 O ALA A 86 -4.657 -11.868 4.815 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.668 -11.107 7.532 1.00 0.00 C ATOM 0 H ALA A 86 -7.605 -11.991 6.265 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.264 -9.459 6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.730 -10.645 7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.435 -10.906 8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.528 -12.184 7.437 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.473 -9.633 4.636 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.419 -9.689 3.629 1.00 0.00 C ATOM 1348 C LEU A 87 -2.046 -9.804 4.285 1.00 0.00 C ATOM 1349 O LEU A 87 -1.673 -8.974 5.115 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.470 -8.448 2.738 1.00 0.00 C ATOM 1351 CG LEU A 87 -3.030 -8.645 1.286 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.916 -7.843 0.346 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.571 -8.251 1.113 1.00 0.00 C ATOM 0 H LEU A 87 -4.753 -8.689 4.901 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.583 -10.575 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.491 -8.067 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.842 -7.678 3.186 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.132 -9.701 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.588 -7.996 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.950 -8.173 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.847 -6.784 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.275 -8.398 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.443 -7.203 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.948 -8.870 1.758 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.298 -10.833 3.903 1.00 0.00 N ATOM 1366 CA TRP A 88 0.035 -11.053 4.452 1.00 0.00 C ATOM 1367 C TRP A 88 1.098 -10.931 3.366 1.00 0.00 C ATOM 1368 O TRP A 88 1.070 -11.656 2.372 1.00 0.00 O ATOM 1369 CB TRP A 88 0.117 -12.432 5.110 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.582 -12.502 6.433 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.836 -12.989 6.673 1.00 0.00 C ATOM 1372 CD2 TRP A 88 -0.070 -12.068 7.697 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -2.132 -12.884 8.011 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -1.065 -12.323 8.661 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.134 -11.491 8.109 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.892 -12.020 10.008 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.305 -11.189 9.447 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.297 -11.455 10.383 1.00 0.00 C ATOM 0 H TRP A 88 -1.592 -11.527 3.216 1.00 0.00 H new ATOM 0 HA TRP A 88 0.222 -10.287 5.205 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.317 -13.173 4.439 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.165 -12.700 5.246 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.497 -13.396 5.922 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -3.005 -13.177 8.449 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.917 -11.285 7.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.668 -12.223 10.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.231 -10.741 9.776 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.461 -11.209 11.422 1.00 0.00 H new ATOM 1433 N ARG A 92 3.952 -10.362 6.955 1.00 0.00 N ATOM 1434 CA ARG A 92 3.555 -9.130 7.627 1.00 0.00 C ATOM 1435 C ARG A 92 2.114 -8.764 7.283 1.00 0.00 C ATOM 1436 O ARG A 92 1.670 -8.946 6.149 1.00 0.00 O ATOM 1437 CB ARG A 92 4.490 -7.986 7.234 1.00 0.00 C ATOM 1438 CG ARG A 92 5.860 -8.069 7.887 1.00 0.00 C ATOM 1439 CD ARG A 92 6.126 -6.868 8.781 1.00 0.00 C ATOM 1440 NE ARG A 92 7.549 -6.551 8.865 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.053 -5.647 9.697 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.254 -4.973 10.513 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.360 -5.415 9.715 1.00 0.00 N ATOM 0 HA ARG A 92 3.624 -9.293 8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.612 -7.984 6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.025 -7.038 7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.929 -8.984 8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.628 -8.127 7.116 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.584 -6.004 8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.740 -7.068 9.781 1.00 0.00 H new ATOM 0 HE ARG A 92 8.191 -7.052 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.249 -5.148 10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.644 -4.279 11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.978 -5.931 9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.746 -4.720 10.355 1.00 0.00 H new ATOM 1457 N CYS A 93 1.389 -8.247 8.270 1.00 0.00 N ATOM 1458 CA CYS A 93 -0.002 -7.857 8.073 1.00 0.00 C ATOM 1459 C CYS A 93 -0.093 -6.471 7.442 1.00 0.00 C ATOM 1460 O CYS A 93 -0.893 -5.636 7.865 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.753 -7.873 9.405 1.00 0.00 C ATOM 1462 SG CYS A 93 -2.552 -7.905 9.239 1.00 0.00 S ATOM 0 H CYS A 93 1.742 -8.089 9.214 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.462 -8.577 7.396 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.436 -8.745 9.978 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.468 -6.993 9.981 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.097 -7.919 10.419 1.00 0.00 H new ATOM 1468 N VAL A 94 0.732 -6.232 6.428 1.00 0.00 N ATOM 1469 CA VAL A 94 0.746 -4.948 5.739 1.00 0.00 C ATOM 1470 C VAL A 94 -0.670 -4.418 5.536 1.00 0.00 C ATOM 1471 O VAL A 94 -1.581 -5.168 5.185 1.00 0.00 O ATOM 1472 CB VAL A 94 1.444 -5.052 4.370 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.788 -6.127 3.517 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.423 -3.708 3.658 1.00 0.00 C ATOM 0 H VAL A 94 1.400 -6.912 6.065 1.00 0.00 H new ATOM 0 HA VAL A 94 1.303 -4.256 6.371 1.00 0.00 H new ATOM 0 HB VAL A 94 2.484 -5.335 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.294 -6.186 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.860 -7.089 4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.261 -5.877 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.920 -3.800 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.391 -3.393 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.943 -2.967 4.265 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.847 -3.120 5.759 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.151 -2.488 5.599 1.00 0.00 C ATOM 1486 C LYS A 95 -2.308 -1.913 4.195 1.00 0.00 C ATOM 1487 O LYS A 95 -1.573 -1.008 3.798 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.334 -1.381 6.640 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.648 -1.469 7.398 1.00 0.00 C ATOM 1490 CD LYS A 95 -4.077 -0.113 7.930 1.00 0.00 C ATOM 1491 CE LYS A 95 -5.591 0.002 8.009 1.00 0.00 C ATOM 1492 NZ LYS A 95 -6.123 -0.538 9.291 1.00 0.00 N ATOM 0 H LYS A 95 -0.104 -2.485 6.051 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.917 -3.249 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.510 -1.424 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.275 -0.413 6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.422 -1.864 6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.545 -2.170 8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.647 0.043 8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.685 0.673 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.881 1.048 7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.040 -0.536 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.158 -0.441 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.868 -1.543 9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.715 -0.008 10.087 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.272 -2.441 3.449 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.528 -1.978 2.090 1.00 0.00 C ATOM 1508 C VAL A 96 -4.892 -1.307 1.986 1.00 0.00 C ATOM 1509 O VAL A 96 -5.926 -1.975 1.986 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.460 -3.138 1.079 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.110 -4.387 1.655 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.119 -2.741 -0.232 1.00 0.00 C ATOM 0 H VAL A 96 -3.889 -3.190 3.762 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.750 -1.252 1.851 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.412 -3.362 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.053 -5.196 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.589 -4.681 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.155 -4.180 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.062 -3.572 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.164 -2.489 -0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.604 -1.876 -0.651 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.889 0.018 1.896 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.127 0.781 1.789 1.00 0.00 C ATOM 1524 C ASP A 97 -5.992 1.895 0.755 1.00 0.00 C ATOM 1525 O ASP A 97 -4.930 2.504 0.618 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.504 1.374 3.148 1.00 0.00 C ATOM 1527 CG ASP A 97 -7.332 0.419 3.986 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -8.375 -0.055 3.489 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -6.936 0.145 5.138 1.00 0.00 O ATOM 0 H ASP A 97 -4.042 0.587 1.895 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.916 0.102 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.596 1.636 3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.063 2.298 2.996 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.074 2.155 0.029 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.076 3.195 -0.994 1.00 0.00 C ATOM 1536 C LEU A 98 -6.864 4.571 -0.373 1.00 0.00 C ATOM 1537 O LEU A 98 -7.560 4.952 0.569 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.394 3.171 -1.770 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.286 2.880 -3.268 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.815 1.488 -3.581 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -9.038 3.931 -4.070 1.00 0.00 C ATOM 0 H LEU A 98 -7.960 1.660 0.130 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.253 2.996 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.044 2.420 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.885 4.135 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.234 2.919 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.730 1.299 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.233 0.746 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.861 1.421 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.951 3.709 -5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.090 3.924 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.613 4.915 -3.869 1.00 0.00 H new ATOM 1553 N SER A 99 -5.900 5.314 -0.907 1.00 0.00 N ATOM 1554 CA SER A 99 -5.595 6.649 -0.404 1.00 0.00 C ATOM 1555 C SER A 99 -6.688 7.639 -0.795 1.00 0.00 C ATOM 1556 O SER A 99 -7.300 8.274 0.063 1.00 0.00 O ATOM 1557 CB SER A 99 -4.244 7.123 -0.942 1.00 0.00 C ATOM 1558 OG SER A 99 -3.946 8.432 -0.490 1.00 0.00 O ATOM 0 H SER A 99 -5.316 5.014 -1.688 1.00 0.00 H new ATOM 0 HA SER A 99 -5.547 6.599 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.460 6.437 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.257 7.105 -2.032 1.00 0.00 H new ATOM 0 HG SER A 99 -3.077 8.711 -0.846 1.00 0.00 H new