USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 627 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 34 SER OG : rot 170:sc= 1 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -167:sc= 1.19 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.48 K(o=0.48,f=-0.36) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.13 (180deg=0.965) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 1.25 (180deg=0.797) USER MOD Single : A 35 SER OG : rot 68:sc= 1.28 USER MOD Single : A 40 THR OG1 : rot 15:sc= 0.104 USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= -0.613 (180deg=-1.15) USER MOD Single : A 54 SER OG : rot -27:sc= 0.636 USER MOD Single : A 61 SER OG : rot 170:sc= -1.05 USER MOD Single : A 62 ASN : amide:sc= -0.801 K(o=-0.8,f=-3) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 1.11 (180deg=0.254) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 78 THR OG1 : rot 65:sc= 1.27 USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0408) USER MOD Single : A 85 GLN : amide:sc= 0.304 X(o=0.3,f=-0.048) USER MOD Single : A 86 ASN : amide:sc= 0.017 X(o=0.017,f=-0.0033) USER MOD Single : A 88 HIS : no HD1:sc= -0.036 X(o=-0.036,f=-0.006) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -148:sc= -0.185 (180deg=-1) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -0.406 X(o=-0.41,f=-0.66) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 170:sc= 1.1 (180deg=0.804) USER MOD ----------------------------------------------------------------- ATOM 358 N CYS A 24 3.022 15.678 -26.469 1.00 1.24 N ATOM 359 CA CYS A 24 1.651 16.122 -26.696 1.00 0.95 C ATOM 360 C CYS A 24 0.884 15.135 -27.572 1.00 0.84 C ATOM 361 O CYS A 24 1.477 14.250 -28.193 1.00 0.77 O ATOM 362 CB CYS A 24 1.660 17.501 -27.350 1.00 0.99 C ATOM 363 SG CYS A 24 2.555 18.753 -26.408 1.00 1.71 S ATOM 0 HA CYS A 24 1.146 16.176 -25.731 1.00 0.95 H new ATOM 0 HB2 CYS A 24 2.106 17.419 -28.341 1.00 0.99 H new ATOM 0 HB3 CYS A 24 0.631 17.832 -27.490 1.00 0.99 H new ATOM 0 HG CYS A 24 2.510 19.887 -27.042 1.00 1.71 H new ATOM 369 N ILE A 25 -0.434 15.310 -27.638 1.00 0.89 N ATOM 370 CA ILE A 25 -1.299 14.393 -28.372 1.00 0.88 C ATOM 371 C ILE A 25 -0.953 14.358 -29.866 1.00 0.74 C ATOM 372 O ILE A 25 -0.974 13.293 -30.480 1.00 0.71 O ATOM 373 CB ILE A 25 -2.799 14.735 -28.166 1.00 1.05 C ATOM 374 CG1 ILE A 25 -3.691 13.730 -28.900 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.111 16.154 -28.619 1.00 1.09 C ATOM 376 CD1 ILE A 25 -3.541 12.309 -28.399 1.00 1.37 C ATOM 0 H ILE A 25 -0.927 16.082 -27.190 1.00 0.89 H new ATOM 0 HA ILE A 25 -1.121 13.398 -27.965 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.009 14.670 -27.098 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -4.732 14.036 -28.795 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.457 13.758 -29.964 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.169 16.362 -28.461 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -2.513 16.860 -28.043 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -2.875 16.258 -29.678 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -4.202 11.652 -28.964 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -2.509 11.984 -28.530 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -3.804 12.266 -27.342 1.00 1.37 H new ATOM 388 N GLN A 26 -0.614 15.509 -30.447 1.00 0.69 N ATOM 389 CA GLN A 26 -0.208 15.555 -31.852 1.00 0.64 C ATOM 390 C GLN A 26 1.016 14.673 -32.084 1.00 0.56 C ATOM 391 O GLN A 26 1.081 13.920 -33.053 1.00 0.59 O ATOM 392 CB GLN A 26 0.101 16.991 -32.286 1.00 0.70 C ATOM 393 CG GLN A 26 0.708 17.080 -33.677 1.00 0.80 C ATOM 394 CD GLN A 26 1.057 18.497 -34.085 1.00 1.23 C ATOM 395 OE1 GLN A 26 0.390 19.456 -33.696 1.00 1.75 O ATOM 396 NE2 GLN A 26 2.122 18.635 -34.857 1.00 1.54 N ATOM 0 H GLN A 26 -0.612 16.412 -29.973 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.037 15.180 -32.452 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -0.818 17.577 -32.260 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.787 17.441 -31.568 1.00 0.70 H new ATOM 0 HG2 GLN A 26 1.608 16.466 -33.714 1.00 0.80 H new ATOM 0 HG3 GLN A 26 0.007 16.663 -34.400 1.00 0.80 H new ATOM 0 HE21 GLN A 26 2.645 17.812 -35.156 1.00 1.54 H new ATOM 0 HE22 GLN A 26 2.420 19.564 -35.153 1.00 1.54 H new ATOM 405 N LYS A 27 1.966 14.760 -31.163 1.00 0.56 N ATOM 406 CA LYS A 27 3.203 13.996 -31.250 1.00 0.60 C ATOM 407 C LYS A 27 2.897 12.499 -31.144 1.00 0.58 C ATOM 408 O LYS A 27 3.547 11.674 -31.786 1.00 0.58 O ATOM 409 CB LYS A 27 4.155 14.457 -30.134 1.00 0.75 C ATOM 410 CG LYS A 27 5.625 14.103 -30.342 1.00 1.27 C ATOM 411 CD LYS A 27 5.907 12.635 -30.071 1.00 1.53 C ATOM 412 CE LYS A 27 7.397 12.361 -29.981 1.00 1.93 C ATOM 413 NZ LYS A 27 7.674 10.933 -29.685 1.00 2.50 N ATOM 0 H LYS A 27 1.902 15.358 -30.339 1.00 0.56 H new ATOM 0 HA LYS A 27 3.687 14.168 -32.212 1.00 0.60 H new ATOM 0 HB2 LYS A 27 4.070 15.539 -30.031 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.823 14.020 -29.192 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.913 14.343 -31.365 1.00 1.27 H new ATOM 0 HG3 LYS A 27 6.241 14.717 -29.685 1.00 1.27 H new ATOM 0 HD2 LYS A 27 5.425 12.337 -29.140 1.00 1.53 H new ATOM 0 HD3 LYS A 27 5.472 12.028 -30.865 1.00 1.53 H new ATOM 0 HE2 LYS A 27 7.876 12.638 -30.920 1.00 1.93 H new ATOM 0 HE3 LYS A 27 7.836 12.986 -29.203 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 8.562 10.856 -29.148 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 6.894 10.537 -29.123 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 7.761 10.404 -30.576 1.00 2.50 H new ATOM 427 N VAL A 28 1.888 12.165 -30.342 1.00 0.62 N ATOM 428 CA VAL A 28 1.443 10.780 -30.201 1.00 0.68 C ATOM 429 C VAL A 28 0.947 10.239 -31.540 1.00 0.62 C ATOM 430 O VAL A 28 1.274 9.115 -31.923 1.00 0.62 O ATOM 431 CB VAL A 28 0.322 10.644 -29.144 1.00 0.77 C ATOM 432 CG1 VAL A 28 -0.162 9.204 -29.043 1.00 1.03 C ATOM 433 CG2 VAL A 28 0.799 11.139 -27.790 1.00 1.04 C ATOM 0 H VAL A 28 1.363 12.835 -29.780 1.00 0.62 H new ATOM 0 HA VAL A 28 2.302 10.198 -29.867 1.00 0.68 H new ATOM 0 HB VAL A 28 -0.517 11.263 -29.463 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -0.950 9.137 -28.293 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -0.552 8.883 -30.009 1.00 1.03 H new ATOM 0 HG13 VAL A 28 0.669 8.560 -28.755 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -0.004 11.035 -27.061 1.00 1.04 H new ATOM 0 HG22 VAL A 28 1.659 10.550 -27.470 1.00 1.04 H new ATOM 0 HG23 VAL A 28 1.086 12.188 -27.866 1.00 1.04 H new ATOM 443 N ILE A 29 0.166 11.051 -32.248 1.00 0.60 N ATOM 444 CA ILE A 29 -0.346 10.674 -33.563 1.00 0.57 C ATOM 445 C ILE A 29 0.794 10.580 -34.575 1.00 0.52 C ATOM 446 O ILE A 29 0.858 9.634 -35.359 1.00 0.51 O ATOM 447 CB ILE A 29 -1.431 11.668 -34.064 1.00 0.62 C ATOM 448 CG1 ILE A 29 -2.813 11.298 -33.510 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.483 11.718 -35.586 1.00 0.67 C ATOM 450 CD1 ILE A 29 -2.917 11.344 -32.003 1.00 0.79 C ATOM 0 H ILE A 29 -0.127 11.976 -31.933 1.00 0.60 H new ATOM 0 HA ILE A 29 -0.813 9.694 -33.464 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.155 12.656 -33.696 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.554 11.976 -33.934 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.069 10.294 -33.849 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.253 12.423 -35.901 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.516 12.040 -35.973 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -1.718 10.727 -35.975 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -3.927 11.069 -31.699 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.204 10.644 -31.568 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -2.695 12.352 -31.654 1.00 0.79 H new ATOM 462 N GLU A 30 1.708 11.549 -34.531 1.00 0.53 N ATOM 463 CA GLU A 30 2.864 11.551 -35.423 1.00 0.55 C ATOM 464 C GLU A 30 3.606 10.221 -35.360 1.00 0.55 C ATOM 465 O GLU A 30 3.876 9.603 -36.391 1.00 0.58 O ATOM 466 CB GLU A 30 3.823 12.698 -35.084 1.00 0.64 C ATOM 467 CG GLU A 30 3.350 14.055 -35.579 1.00 0.99 C ATOM 468 CD GLU A 30 4.374 15.155 -35.360 1.00 1.49 C ATOM 469 OE1 GLU A 30 5.584 14.897 -35.545 1.00 1.84 O ATOM 470 OE2 GLU A 30 3.969 16.292 -35.028 1.00 2.20 O ATOM 0 H GLU A 30 1.669 12.340 -33.888 1.00 0.53 H new ATOM 0 HA GLU A 30 2.492 11.697 -36.437 1.00 0.55 H new ATOM 0 HB2 GLU A 30 3.956 12.741 -34.003 1.00 0.64 H new ATOM 0 HB3 GLU A 30 4.800 12.483 -35.517 1.00 0.64 H new ATOM 0 HG2 GLU A 30 3.119 13.988 -36.642 1.00 0.99 H new ATOM 0 HG3 GLU A 30 2.425 14.320 -35.068 1.00 0.99 H new ATOM 477 N ASP A 31 3.918 9.769 -34.153 1.00 0.57 N ATOM 478 CA ASP A 31 4.648 8.519 -33.988 1.00 0.64 C ATOM 479 C ASP A 31 3.746 7.298 -34.145 1.00 0.57 C ATOM 480 O ASP A 31 4.238 6.199 -34.393 1.00 0.61 O ATOM 481 CB ASP A 31 5.401 8.465 -32.661 1.00 0.80 C ATOM 482 CG ASP A 31 6.815 8.998 -32.797 1.00 1.05 C ATOM 483 OD1 ASP A 31 7.477 8.698 -33.818 1.00 1.17 O ATOM 484 OD2 ASP A 31 7.267 9.728 -31.893 1.00 1.67 O ATOM 0 H ASP A 31 3.680 10.243 -33.282 1.00 0.57 H new ATOM 0 HA ASP A 31 5.384 8.491 -34.791 1.00 0.64 H new ATOM 0 HB2 ASP A 31 4.863 9.047 -31.913 1.00 0.80 H new ATOM 0 HB3 ASP A 31 5.433 7.436 -32.302 1.00 0.80 H new ATOM 489 N LYS A 32 2.438 7.484 -34.015 1.00 0.53 N ATOM 490 CA LYS A 32 1.492 6.380 -34.182 1.00 0.55 C ATOM 491 C LYS A 32 1.586 5.814 -35.598 1.00 0.48 C ATOM 492 O LYS A 32 1.836 4.621 -35.786 1.00 0.52 O ATOM 493 CB LYS A 32 0.060 6.840 -33.887 1.00 0.67 C ATOM 494 CG LYS A 32 -0.998 5.770 -34.123 1.00 0.97 C ATOM 495 CD LYS A 32 -0.901 4.633 -33.118 1.00 1.09 C ATOM 496 CE LYS A 32 -1.857 3.507 -33.476 1.00 1.51 C ATOM 497 NZ LYS A 32 -1.910 2.450 -32.430 1.00 2.03 N ATOM 0 H LYS A 32 2.007 8.382 -33.796 1.00 0.53 H new ATOM 0 HA LYS A 32 1.751 5.596 -33.471 1.00 0.55 H new ATOM 0 HB2 LYS A 32 0.002 7.170 -32.850 1.00 0.67 H new ATOM 0 HB3 LYS A 32 -0.168 7.705 -34.510 1.00 0.67 H new ATOM 0 HG2 LYS A 32 -1.988 6.222 -34.063 1.00 0.97 H new ATOM 0 HG3 LYS A 32 -0.890 5.371 -35.132 1.00 0.97 H new ATOM 0 HD2 LYS A 32 0.120 4.253 -33.091 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -1.129 5.005 -32.119 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -2.856 3.917 -33.625 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -1.551 3.062 -34.423 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -2.467 1.644 -32.779 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -0.945 2.133 -32.208 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -2.355 2.833 -31.572 1.00 2.03 H new ATOM 511 N LEU A 33 1.410 6.680 -36.589 1.00 0.44 N ATOM 512 CA LEU A 33 1.546 6.284 -37.983 1.00 0.44 C ATOM 513 C LEU A 33 3.016 6.081 -38.338 1.00 0.46 C ATOM 514 O LEU A 33 3.351 5.306 -39.236 1.00 0.51 O ATOM 515 CB LEU A 33 0.884 7.322 -38.905 1.00 0.47 C ATOM 516 CG LEU A 33 1.376 8.772 -38.767 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.637 9.007 -39.582 1.00 0.57 C ATOM 518 CD2 LEU A 33 0.285 9.744 -39.188 1.00 0.55 C ATOM 0 H LEU A 33 1.172 7.662 -36.451 1.00 0.44 H new ATOM 0 HA LEU A 33 1.033 5.334 -38.130 1.00 0.44 H new ATOM 0 HB2 LEU A 33 1.035 7.007 -39.938 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.190 7.307 -38.721 1.00 0.47 H new ATOM 0 HG LEU A 33 1.617 8.945 -37.718 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.959 10.041 -39.463 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.425 8.339 -39.234 1.00 0.57 H new ATOM 0 HD13 LEU A 33 2.432 8.809 -40.634 1.00 0.57 H new ATOM 0 HD21 LEU A 33 0.649 10.766 -39.085 1.00 0.55 H new ATOM 0 HD22 LEU A 33 0.014 9.559 -40.227 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -0.591 9.605 -38.554 1.00 0.55 H new ATOM 530 N SER A 34 3.894 6.770 -37.616 1.00 0.47 N ATOM 531 CA SER A 34 5.324 6.641 -37.834 1.00 0.53 C ATOM 532 C SER A 34 5.770 5.222 -37.518 1.00 0.54 C ATOM 533 O SER A 34 6.486 4.615 -38.294 1.00 0.59 O ATOM 534 CB SER A 34 6.092 7.633 -36.965 1.00 0.60 C ATOM 535 OG SER A 34 7.402 7.873 -37.459 1.00 1.29 O ATOM 0 H SER A 34 3.637 7.423 -36.876 1.00 0.47 H new ATOM 0 HA SER A 34 5.536 6.860 -38.880 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.544 8.574 -36.919 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.154 7.250 -35.946 1.00 0.60 H new ATOM 0 HG SER A 34 7.801 8.626 -36.976 1.00 1.29 H new ATOM 541 N SER A 35 5.314 4.688 -36.391 1.00 0.55 N ATOM 542 CA SER A 35 5.670 3.334 -35.970 1.00 0.62 C ATOM 543 C SER A 35 5.376 2.314 -37.075 1.00 0.59 C ATOM 544 O SER A 35 6.022 1.273 -37.162 1.00 0.65 O ATOM 545 CB SER A 35 4.914 2.963 -34.695 1.00 0.72 C ATOM 546 OG SER A 35 5.209 3.867 -33.642 1.00 0.78 O ATOM 0 H SER A 35 4.692 5.175 -35.746 1.00 0.55 H new ATOM 0 HA SER A 35 6.741 3.314 -35.769 1.00 0.62 H new ATOM 0 HB2 SER A 35 3.842 2.966 -34.891 1.00 0.72 H new ATOM 0 HB3 SER A 35 5.180 1.950 -34.393 1.00 0.72 H new ATOM 0 HG SER A 35 4.841 4.750 -33.856 1.00 0.78 H new ATOM 552 N ALA A 36 4.395 2.631 -37.912 1.00 0.54 N ATOM 553 CA ALA A 36 3.973 1.740 -38.978 1.00 0.57 C ATOM 554 C ALA A 36 4.758 1.971 -40.275 1.00 0.51 C ATOM 555 O ALA A 36 5.163 1.019 -40.939 1.00 0.52 O ATOM 556 CB ALA A 36 2.485 1.922 -39.220 1.00 0.64 C ATOM 0 H ALA A 36 3.875 3.507 -37.869 1.00 0.54 H new ATOM 0 HA ALA A 36 4.178 0.717 -38.664 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.162 1.255 -40.020 1.00 0.64 H new ATOM 0 HB2 ALA A 36 1.937 1.687 -38.308 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.287 2.955 -39.506 1.00 0.64 H new ATOM 562 N LEU A 37 4.966 3.234 -40.640 1.00 0.50 N ATOM 563 CA LEU A 37 5.572 3.561 -41.934 1.00 0.53 C ATOM 564 C LEU A 37 7.014 4.057 -41.796 1.00 0.52 C ATOM 565 O LEU A 37 7.861 3.750 -42.636 1.00 0.62 O ATOM 566 CB LEU A 37 4.753 4.635 -42.665 1.00 0.57 C ATOM 567 CG LEU A 37 3.386 4.203 -43.214 1.00 0.70 C ATOM 568 CD1 LEU A 37 2.365 4.035 -42.100 1.00 0.86 C ATOM 569 CD2 LEU A 37 2.892 5.218 -44.230 1.00 0.94 C ATOM 0 H LEU A 37 4.727 4.043 -40.066 1.00 0.50 H new ATOM 0 HA LEU A 37 5.578 2.635 -42.509 1.00 0.53 H new ATOM 0 HB2 LEU A 37 4.597 5.469 -41.981 1.00 0.57 H new ATOM 0 HB3 LEU A 37 5.350 5.012 -43.496 1.00 0.57 H new ATOM 0 HG LEU A 37 3.509 3.235 -43.700 1.00 0.70 H new ATOM 0 HD11 LEU A 37 1.409 3.729 -42.525 1.00 0.86 H new ATOM 0 HD12 LEU A 37 2.711 3.274 -41.401 1.00 0.86 H new ATOM 0 HD13 LEU A 37 2.241 4.982 -41.574 1.00 0.86 H new ATOM 0 HD21 LEU A 37 1.922 4.905 -44.615 1.00 0.94 H new ATOM 0 HD22 LEU A 37 2.795 6.193 -43.753 1.00 0.94 H new ATOM 0 HD23 LEU A 37 3.604 5.286 -45.052 1.00 0.94 H new ATOM 581 N LYS A 38 7.277 4.805 -40.728 1.00 0.47 N ATOM 582 CA LYS A 38 8.523 5.563 -40.562 1.00 0.52 C ATOM 583 C LYS A 38 8.807 6.420 -41.796 1.00 0.47 C ATOM 584 O LYS A 38 9.669 6.089 -42.610 1.00 0.54 O ATOM 585 CB LYS A 38 9.729 4.657 -40.262 1.00 0.70 C ATOM 586 CG LYS A 38 9.645 3.888 -38.946 1.00 1.32 C ATOM 587 CD LYS A 38 9.310 4.791 -37.762 1.00 1.93 C ATOM 588 CE LYS A 38 10.296 5.934 -37.593 1.00 2.67 C ATOM 589 NZ LYS A 38 9.843 6.890 -36.544 1.00 3.36 N ATOM 0 H LYS A 38 6.630 4.906 -39.946 1.00 0.47 H new ATOM 0 HA LYS A 38 8.379 6.212 -39.698 1.00 0.52 H new ATOM 0 HB2 LYS A 38 9.839 3.942 -41.077 1.00 0.70 H new ATOM 0 HB3 LYS A 38 10.631 5.269 -40.251 1.00 0.70 H new ATOM 0 HG2 LYS A 38 8.887 3.110 -39.031 1.00 1.32 H new ATOM 0 HG3 LYS A 38 10.595 3.388 -38.760 1.00 1.32 H new ATOM 0 HD2 LYS A 38 8.308 5.199 -37.895 1.00 1.93 H new ATOM 0 HD3 LYS A 38 9.293 4.194 -36.850 1.00 1.93 H new ATOM 0 HE2 LYS A 38 11.275 5.536 -37.327 1.00 2.67 H new ATOM 0 HE3 LYS A 38 10.413 6.459 -38.541 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 10.408 7.761 -36.601 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 8.839 7.118 -36.692 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 9.965 6.459 -35.605 1.00 3.36 H new ATOM 603 N PRO A 39 8.074 7.535 -41.953 1.00 0.46 N ATOM 604 CA PRO A 39 8.216 8.414 -43.104 1.00 0.47 C ATOM 605 C PRO A 39 9.385 9.382 -42.955 1.00 0.51 C ATOM 606 O PRO A 39 9.643 9.907 -41.864 1.00 0.63 O ATOM 607 CB PRO A 39 6.889 9.186 -43.151 1.00 0.50 C ATOM 608 CG PRO A 39 6.122 8.798 -41.923 1.00 0.54 C ATOM 609 CD PRO A 39 7.058 8.032 -41.026 1.00 0.52 C ATOM 0 HA PRO A 39 8.423 7.849 -44.013 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.067 10.261 -43.173 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.328 8.938 -44.052 1.00 0.50 H new ATOM 0 HG2 PRO A 39 5.742 9.683 -41.413 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.259 8.187 -42.187 1.00 0.54 H new ATOM 0 HD2 PRO A 39 7.492 8.671 -40.257 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.548 7.217 -40.513 1.00 0.52 H new ATOM 617 N THR A 40 10.077 9.619 -44.061 1.00 0.52 N ATOM 618 CA THR A 40 11.216 10.525 -44.091 1.00 0.61 C ATOM 619 C THR A 40 10.804 11.942 -43.701 1.00 0.62 C ATOM 620 O THR A 40 11.555 12.663 -43.046 1.00 0.73 O ATOM 621 CB THR A 40 11.871 10.530 -45.486 1.00 0.67 C ATOM 622 OG1 THR A 40 10.865 10.407 -46.504 1.00 0.70 O ATOM 623 CG2 THR A 40 12.873 9.392 -45.622 1.00 0.71 C ATOM 0 H THR A 40 9.865 9.189 -44.961 1.00 0.52 H new ATOM 0 HA THR A 40 11.943 10.167 -43.362 1.00 0.61 H new ATOM 0 HB THR A 40 12.399 11.476 -45.607 1.00 0.67 H new ATOM 0 HG1 THR A 40 9.983 10.589 -46.116 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.321 9.418 -46.615 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.653 9.503 -44.869 1.00 0.71 H new ATOM 0 HG23 THR A 40 12.363 8.439 -45.479 1.00 0.71 H new ATOM 631 N PHE A 41 9.596 12.328 -44.089 1.00 0.54 N ATOM 632 CA PHE A 41 9.052 13.618 -43.706 1.00 0.55 C ATOM 633 C PHE A 41 7.585 13.459 -43.330 1.00 0.48 C ATOM 634 O PHE A 41 6.795 12.923 -44.098 1.00 0.45 O ATOM 635 CB PHE A 41 9.210 14.638 -44.838 1.00 0.57 C ATOM 636 CG PHE A 41 8.791 16.029 -44.454 1.00 0.62 C ATOM 637 CD1 PHE A 41 9.641 16.846 -43.725 1.00 0.69 C ATOM 638 CD2 PHE A 41 7.548 16.520 -44.822 1.00 0.62 C ATOM 639 CE1 PHE A 41 9.260 18.125 -43.370 1.00 0.76 C ATOM 640 CE2 PHE A 41 7.162 17.800 -44.468 1.00 0.70 C ATOM 641 CZ PHE A 41 8.018 18.602 -43.742 1.00 0.75 C ATOM 0 H PHE A 41 8.976 11.763 -44.669 1.00 0.54 H new ATOM 0 HA PHE A 41 9.605 13.991 -42.844 1.00 0.55 H new ATOM 0 HB2 PHE A 41 10.252 14.656 -45.157 1.00 0.57 H new ATOM 0 HB3 PHE A 41 8.620 14.313 -45.695 1.00 0.57 H new ATOM 0 HD1 PHE A 41 10.613 16.478 -43.431 1.00 0.69 H new ATOM 0 HD2 PHE A 41 6.874 15.897 -45.391 1.00 0.62 H new ATOM 0 HE1 PHE A 41 9.932 18.751 -42.802 1.00 0.76 H new ATOM 0 HE2 PHE A 41 6.191 18.172 -44.760 1.00 0.70 H new ATOM 0 HZ PHE A 41 7.718 19.602 -43.465 1.00 0.75 H new ATOM 651 N LEU A 42 7.247 13.881 -42.127 1.00 0.50 N ATOM 652 CA LEU A 42 5.884 13.793 -41.631 1.00 0.48 C ATOM 653 C LEU A 42 5.583 15.036 -40.803 1.00 0.54 C ATOM 654 O LEU A 42 6.304 15.333 -39.851 1.00 0.64 O ATOM 655 CB LEU A 42 5.719 12.506 -40.799 1.00 0.53 C ATOM 656 CG LEU A 42 4.288 12.119 -40.389 1.00 0.60 C ATOM 657 CD1 LEU A 42 3.803 12.952 -39.215 1.00 1.03 C ATOM 658 CD2 LEU A 42 3.336 12.253 -41.568 1.00 1.55 C ATOM 0 H LEU A 42 7.906 14.293 -41.467 1.00 0.50 H new ATOM 0 HA LEU A 42 5.177 13.747 -42.459 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.144 11.679 -41.367 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.315 12.610 -39.892 1.00 0.53 H new ATOM 0 HG LEU A 42 4.305 11.076 -40.073 1.00 0.60 H new ATOM 0 HD11 LEU A 42 2.789 12.653 -38.951 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.462 12.795 -38.361 1.00 1.03 H new ATOM 0 HD13 LEU A 42 3.810 14.007 -39.490 1.00 1.03 H new ATOM 0 HD21 LEU A 42 2.329 11.974 -41.256 1.00 1.55 H new ATOM 0 HD22 LEU A 42 3.335 13.285 -41.919 1.00 1.55 H new ATOM 0 HD23 LEU A 42 3.661 11.596 -42.375 1.00 1.55 H new ATOM 670 N GLU A 43 4.550 15.775 -41.179 1.00 0.57 N ATOM 671 CA GLU A 43 4.178 16.973 -40.429 1.00 0.69 C ATOM 672 C GLU A 43 2.664 17.139 -40.379 1.00 0.60 C ATOM 673 O GLU A 43 1.978 16.885 -41.367 1.00 0.53 O ATOM 674 CB GLU A 43 4.821 18.218 -41.051 1.00 0.82 C ATOM 675 CG GLU A 43 4.568 19.499 -40.266 1.00 1.00 C ATOM 676 CD GLU A 43 5.132 19.443 -38.859 1.00 1.62 C ATOM 677 OE1 GLU A 43 6.336 19.723 -38.690 1.00 2.19 O ATOM 678 OE2 GLU A 43 4.380 19.113 -37.918 1.00 2.23 O ATOM 0 H GLU A 43 3.960 15.574 -41.986 1.00 0.57 H new ATOM 0 HA GLU A 43 4.546 16.856 -39.410 1.00 0.69 H new ATOM 0 HB2 GLU A 43 5.896 18.058 -41.131 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.441 18.343 -42.065 1.00 0.82 H new ATOM 0 HG2 GLU A 43 5.012 20.340 -40.798 1.00 1.00 H new ATOM 0 HG3 GLU A 43 3.495 19.684 -40.216 1.00 1.00 H new ATOM 685 N LEU A 44 2.153 17.564 -39.229 1.00 0.67 N ATOM 686 CA LEU A 44 0.723 17.788 -39.060 1.00 0.65 C ATOM 687 C LEU A 44 0.411 19.278 -39.018 1.00 0.64 C ATOM 688 O LEU A 44 0.867 19.999 -38.128 1.00 0.77 O ATOM 689 CB LEU A 44 0.197 17.122 -37.782 1.00 0.82 C ATOM 690 CG LEU A 44 -0.248 15.663 -37.924 1.00 0.97 C ATOM 691 CD1 LEU A 44 0.928 14.759 -38.244 1.00 1.27 C ATOM 692 CD2 LEU A 44 -0.946 15.198 -36.657 1.00 1.72 C ATOM 0 H LEU A 44 2.710 17.761 -38.398 1.00 0.67 H new ATOM 0 HA LEU A 44 0.223 17.338 -39.918 1.00 0.65 H new ATOM 0 HB2 LEU A 44 0.977 17.172 -37.022 1.00 0.82 H new ATOM 0 HB3 LEU A 44 -0.647 17.705 -37.412 1.00 0.82 H new ATOM 0 HG LEU A 44 -0.951 15.604 -38.755 1.00 0.97 H new ATOM 0 HD11 LEU A 44 0.581 13.730 -38.339 1.00 1.27 H new ATOM 0 HD12 LEU A 44 1.386 15.075 -39.181 1.00 1.27 H new ATOM 0 HD13 LEU A 44 1.664 14.821 -37.442 1.00 1.27 H new ATOM 0 HD21 LEU A 44 -1.256 14.160 -36.773 1.00 1.72 H new ATOM 0 HD22 LEU A 44 -0.261 15.280 -35.813 1.00 1.72 H new ATOM 0 HD23 LEU A 44 -1.822 15.820 -36.475 1.00 1.72 H new ATOM 704 N VAL A 45 -0.363 19.730 -39.990 1.00 0.57 N ATOM 705 CA VAL A 45 -0.803 21.111 -40.045 1.00 0.63 C ATOM 706 C VAL A 45 -2.276 21.203 -39.666 1.00 0.60 C ATOM 707 O VAL A 45 -3.133 20.599 -40.315 1.00 0.56 O ATOM 708 CB VAL A 45 -0.599 21.715 -41.451 1.00 0.73 C ATOM 709 CG1 VAL A 45 -1.015 23.179 -41.476 1.00 1.08 C ATOM 710 CG2 VAL A 45 0.849 21.563 -41.899 1.00 0.90 C ATOM 0 H VAL A 45 -0.702 19.152 -40.759 1.00 0.57 H new ATOM 0 HA VAL A 45 -0.200 21.679 -39.337 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.233 21.168 -42.149 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -0.862 23.584 -42.477 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -2.068 23.263 -41.207 1.00 1.08 H new ATOM 0 HG13 VAL A 45 -0.413 23.741 -40.762 1.00 1.08 H new ATOM 0 HG21 VAL A 45 0.970 21.995 -42.892 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.503 22.079 -41.196 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.111 20.505 -41.929 1.00 0.90 H new ATOM 720 N ASP A 46 -2.556 21.937 -38.603 1.00 0.76 N ATOM 721 CA ASP A 46 -3.925 22.152 -38.153 1.00 0.83 C ATOM 722 C ASP A 46 -4.639 23.117 -39.091 1.00 0.80 C ATOM 723 O ASP A 46 -4.174 24.237 -39.316 1.00 0.99 O ATOM 724 CB ASP A 46 -3.925 22.697 -36.721 1.00 1.16 C ATOM 725 CG ASP A 46 -5.312 23.036 -36.205 1.00 1.38 C ATOM 726 OD1 ASP A 46 -5.771 24.175 -36.436 1.00 1.57 O ATOM 727 OD2 ASP A 46 -5.926 22.185 -35.527 1.00 1.83 O ATOM 0 H ASP A 46 -1.849 22.398 -38.030 1.00 0.76 H new ATOM 0 HA ASP A 46 -4.457 21.201 -38.164 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -3.469 21.960 -36.060 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -3.302 23.590 -36.680 1.00 1.16 H new ATOM 732 N LYS A 47 -5.752 22.672 -39.654 1.00 0.81 N ATOM 733 CA LYS A 47 -6.502 23.482 -40.602 1.00 1.03 C ATOM 734 C LYS A 47 -7.829 23.919 -40.004 1.00 1.12 C ATOM 735 O LYS A 47 -8.476 23.160 -39.280 1.00 1.66 O ATOM 736 CB LYS A 47 -6.781 22.708 -41.896 1.00 1.36 C ATOM 737 CG LYS A 47 -5.555 22.087 -42.546 1.00 1.85 C ATOM 738 CD LYS A 47 -5.834 21.696 -43.995 1.00 2.14 C ATOM 739 CE LYS A 47 -7.059 20.797 -44.126 1.00 2.34 C ATOM 740 NZ LYS A 47 -6.825 19.430 -43.587 1.00 2.76 N ATOM 0 H LYS A 47 -6.156 21.754 -39.471 1.00 0.81 H new ATOM 0 HA LYS A 47 -5.892 24.356 -40.829 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -7.501 21.918 -41.682 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -7.252 23.382 -42.611 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -4.725 22.793 -42.511 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -5.248 21.206 -41.982 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -5.982 22.597 -44.590 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -4.964 21.183 -44.405 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -7.898 21.253 -43.599 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -7.343 20.726 -45.176 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -7.727 18.915 -43.543 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -6.165 18.920 -44.208 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -6.419 19.498 -42.632 1.00 2.76 H new ATOM 815 N SER A 54 -8.688 20.187 -37.029 1.00 1.25 N ATOM 816 CA SER A 54 -8.464 19.144 -38.005 1.00 1.00 C ATOM 817 C SER A 54 -7.009 19.168 -38.440 1.00 0.82 C ATOM 818 O SER A 54 -6.451 20.233 -38.704 1.00 0.89 O ATOM 819 CB SER A 54 -9.402 19.317 -39.205 1.00 1.14 C ATOM 820 OG SER A 54 -9.242 20.586 -39.819 1.00 1.71 O ATOM 0 HA SER A 54 -8.682 18.175 -37.556 1.00 1.00 H new ATOM 0 HB2 SER A 54 -9.206 18.532 -39.936 1.00 1.14 H new ATOM 0 HB3 SER A 54 -10.435 19.198 -38.879 1.00 1.14 H new ATOM 0 HG SER A 54 -8.921 21.232 -39.156 1.00 1.71 H new ATOM 826 N PHE A 55 -6.396 18.002 -38.520 1.00 0.67 N ATOM 827 CA PHE A 55 -4.980 17.927 -38.823 1.00 0.60 C ATOM 828 C PHE A 55 -4.756 17.327 -40.196 1.00 0.52 C ATOM 829 O PHE A 55 -5.359 16.313 -40.556 1.00 0.50 O ATOM 830 CB PHE A 55 -4.243 17.100 -37.766 1.00 0.67 C ATOM 831 CG PHE A 55 -4.166 17.767 -36.422 1.00 0.81 C ATOM 832 CD1 PHE A 55 -3.172 18.695 -36.154 1.00 0.86 C ATOM 833 CD2 PHE A 55 -5.082 17.464 -35.428 1.00 0.99 C ATOM 834 CE1 PHE A 55 -3.095 19.310 -34.920 1.00 1.03 C ATOM 835 CE2 PHE A 55 -5.009 18.076 -34.191 1.00 1.15 C ATOM 836 CZ PHE A 55 -4.014 19.000 -33.936 1.00 1.15 C ATOM 0 H PHE A 55 -6.852 17.100 -38.381 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.582 18.942 -38.815 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.744 16.138 -37.656 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -3.232 16.895 -38.118 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.450 18.940 -36.919 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -5.861 16.742 -35.622 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.317 20.033 -34.724 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -5.729 17.832 -33.424 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.955 19.479 -32.970 1.00 1.15 H new ATOM 846 N ASP A 56 -3.906 17.983 -40.964 1.00 0.51 N ATOM 847 CA ASP A 56 -3.524 17.501 -42.277 1.00 0.52 C ATOM 848 C ASP A 56 -2.060 17.106 -42.240 1.00 0.50 C ATOM 849 O ASP A 56 -1.200 17.942 -41.963 1.00 0.55 O ATOM 850 CB ASP A 56 -3.744 18.588 -43.324 1.00 0.58 C ATOM 851 CG ASP A 56 -4.012 18.021 -44.699 1.00 0.64 C ATOM 852 OD1 ASP A 56 -3.095 17.433 -45.296 1.00 1.23 O ATOM 853 OD2 ASP A 56 -5.158 18.165 -45.179 1.00 1.35 O ATOM 0 H ASP A 56 -3.463 18.862 -40.696 1.00 0.51 H new ATOM 0 HA ASP A 56 -4.136 16.640 -42.544 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.584 19.214 -43.022 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -2.865 19.232 -43.365 1.00 0.58 H new ATOM 858 N ALA A 57 -1.772 15.847 -42.491 1.00 0.48 N ATOM 859 CA ALA A 57 -0.425 15.342 -42.342 1.00 0.48 C ATOM 860 C ALA A 57 0.240 15.119 -43.683 1.00 0.44 C ATOM 861 O ALA A 57 -0.195 14.281 -44.476 1.00 0.46 O ATOM 862 CB ALA A 57 -0.421 14.056 -41.536 1.00 0.51 C ATOM 0 H ALA A 57 -2.454 15.154 -42.800 1.00 0.48 H new ATOM 0 HA ALA A 57 0.148 16.098 -41.805 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.602 13.693 -41.436 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.838 14.245 -40.547 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -1.024 13.305 -42.046 1.00 0.51 H new ATOM 868 N VAL A 58 1.289 15.874 -43.934 1.00 0.42 N ATOM 869 CA VAL A 58 2.109 15.652 -45.100 1.00 0.41 C ATOM 870 C VAL A 58 2.957 14.413 -44.867 1.00 0.39 C ATOM 871 O VAL A 58 3.843 14.413 -44.003 1.00 0.41 O ATOM 872 CB VAL A 58 3.020 16.860 -45.406 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.819 16.632 -46.683 1.00 0.51 C ATOM 874 CG2 VAL A 58 2.198 18.139 -45.509 1.00 0.55 C ATOM 0 H VAL A 58 1.592 16.648 -43.343 1.00 0.42 H new ATOM 0 HA VAL A 58 1.455 15.516 -45.961 1.00 0.41 H new ATOM 0 HB VAL A 58 3.725 16.968 -44.582 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.452 17.498 -46.875 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.442 15.745 -46.569 1.00 0.51 H new ATOM 0 HG13 VAL A 58 3.135 16.490 -47.520 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.858 18.979 -45.725 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.466 18.037 -46.310 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.682 18.317 -44.566 1.00 0.55 H new ATOM 884 N ILE A 59 2.651 13.357 -45.609 1.00 0.38 N ATOM 885 CA ILE A 59 3.341 12.090 -45.462 1.00 0.40 C ATOM 886 C ILE A 59 4.258 11.855 -46.657 1.00 0.44 C ATOM 887 O ILE A 59 3.813 11.652 -47.789 1.00 0.65 O ATOM 888 CB ILE A 59 2.333 10.916 -45.250 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.043 9.548 -45.183 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.251 10.914 -46.321 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.251 8.868 -46.526 1.00 0.80 C ATOM 0 H ILE A 59 1.923 13.357 -46.323 1.00 0.38 H new ATOM 0 HA ILE A 59 3.962 12.128 -44.567 1.00 0.40 H new ATOM 0 HB ILE A 59 1.854 11.081 -44.285 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.014 9.682 -44.706 1.00 1.18 H new ATOM 0 HG13 ILE A 59 2.462 8.885 -44.542 1.00 1.18 H new ATOM 0 HG21 ILE A 59 0.566 10.085 -46.145 1.00 0.77 H new ATOM 0 HG22 ILE A 59 0.700 11.854 -46.284 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.711 10.802 -47.303 1.00 0.77 H new ATOM 0 HD11 ILE A 59 3.757 7.914 -46.376 1.00 0.80 H new ATOM 0 HD12 ILE A 59 2.285 8.696 -47.000 1.00 0.80 H new ATOM 0 HD13 ILE A 59 3.861 9.506 -47.166 1.00 0.80 H new ATOM 903 N VAL A 60 5.548 11.937 -46.395 1.00 0.39 N ATOM 904 CA VAL A 60 6.562 11.749 -47.412 1.00 0.42 C ATOM 905 C VAL A 60 7.326 10.458 -47.156 1.00 0.40 C ATOM 906 O VAL A 60 8.142 10.382 -46.232 1.00 0.44 O ATOM 907 CB VAL A 60 7.544 12.940 -47.432 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.594 12.765 -48.512 1.00 0.58 C ATOM 909 CG2 VAL A 60 6.797 14.251 -47.626 1.00 0.58 C ATOM 0 H VAL A 60 5.923 12.137 -45.468 1.00 0.39 H new ATOM 0 HA VAL A 60 6.067 11.689 -48.381 1.00 0.42 H new ATOM 0 HB VAL A 60 8.051 12.969 -46.468 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.272 13.619 -48.502 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.159 11.851 -48.326 1.00 0.58 H new ATOM 0 HG13 VAL A 60 8.107 12.699 -49.485 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.508 15.077 -47.637 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.256 14.225 -48.572 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.090 14.392 -46.808 1.00 0.58 H new ATOM 919 N SER A 61 7.044 9.435 -47.955 1.00 0.39 N ATOM 920 CA SER A 61 7.718 8.154 -47.808 1.00 0.42 C ATOM 921 C SER A 61 7.681 7.358 -49.108 1.00 0.42 C ATOM 922 O SER A 61 6.693 7.379 -49.841 1.00 0.43 O ATOM 923 CB SER A 61 7.088 7.338 -46.673 1.00 0.45 C ATOM 924 OG SER A 61 5.728 7.047 -46.937 1.00 0.84 O ATOM 0 H SER A 61 6.356 9.469 -48.707 1.00 0.39 H new ATOM 0 HA SER A 61 8.760 8.356 -47.560 1.00 0.42 H new ATOM 0 HB2 SER A 61 7.641 6.408 -46.541 1.00 0.45 H new ATOM 0 HB3 SER A 61 7.168 7.892 -45.738 1.00 0.45 H new ATOM 0 HG SER A 61 5.400 6.396 -46.282 1.00 0.84 H new ATOM 930 N ASN A 62 8.781 6.668 -49.384 1.00 0.51 N ATOM 931 CA ASN A 62 8.902 5.808 -50.560 1.00 0.57 C ATOM 932 C ASN A 62 7.988 4.588 -50.475 1.00 0.56 C ATOM 933 O ASN A 62 7.743 3.920 -51.477 1.00 0.59 O ATOM 934 CB ASN A 62 10.356 5.384 -50.766 1.00 0.75 C ATOM 935 CG ASN A 62 11.152 6.446 -51.501 1.00 0.86 C ATOM 936 OD1 ASN A 62 10.646 7.098 -52.415 1.00 1.67 O ATOM 937 ND2 ASN A 62 12.382 6.662 -51.080 1.00 0.76 N ATOM 0 H ASN A 62 9.617 6.687 -48.799 1.00 0.51 H new ATOM 0 HA ASN A 62 8.581 6.390 -51.424 1.00 0.57 H new ATOM 0 HB2 ASN A 62 10.818 5.187 -49.799 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.387 4.451 -51.329 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.949 7.390 -51.514 1.00 0.76 H new ATOM 0 HD22 ASN A 62 12.767 6.101 -50.320 1.00 0.76 H new ATOM 944 N ASN A 63 7.530 4.265 -49.271 1.00 0.57 N ATOM 945 CA ASN A 63 6.598 3.150 -49.064 1.00 0.66 C ATOM 946 C ASN A 63 5.421 3.226 -50.047 1.00 0.67 C ATOM 947 O ASN A 63 4.959 2.206 -50.560 1.00 0.86 O ATOM 948 CB ASN A 63 6.073 3.155 -47.621 1.00 0.73 C ATOM 949 CG ASN A 63 5.187 1.957 -47.308 1.00 1.03 C ATOM 950 OD1 ASN A 63 5.378 0.866 -47.841 1.00 1.81 O ATOM 951 ND2 ASN A 63 4.210 2.156 -46.433 1.00 1.00 N ATOM 0 H ASN A 63 7.787 4.759 -48.416 1.00 0.57 H new ATOM 0 HA ASN A 63 7.139 2.221 -49.245 1.00 0.66 H new ATOM 0 HB2 ASN A 63 6.918 3.165 -46.932 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.510 4.072 -47.448 1.00 0.73 H new ATOM 0 HD21 ASN A 63 3.586 1.389 -46.182 1.00 1.00 H new ATOM 0 HD22 ASN A 63 4.083 3.076 -46.011 1.00 1.00 H new ATOM 958 N PHE A 64 4.965 4.440 -50.338 1.00 0.60 N ATOM 959 CA PHE A 64 3.830 4.631 -51.238 1.00 0.67 C ATOM 960 C PHE A 64 4.292 5.054 -52.631 1.00 0.60 C ATOM 961 O PHE A 64 3.519 5.606 -53.414 1.00 0.65 O ATOM 962 CB PHE A 64 2.862 5.667 -50.666 1.00 0.80 C ATOM 963 CG PHE A 64 2.195 5.231 -49.392 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.970 3.888 -49.133 1.00 1.84 C ATOM 965 CD2 PHE A 64 1.791 6.166 -48.454 1.00 2.11 C ATOM 966 CE1 PHE A 64 1.356 3.485 -47.964 1.00 2.66 C ATOM 967 CE2 PHE A 64 1.174 5.769 -47.283 1.00 2.95 C ATOM 968 CZ PHE A 64 0.956 4.427 -47.038 1.00 3.19 C ATOM 0 H PHE A 64 5.361 5.303 -49.966 1.00 0.60 H new ATOM 0 HA PHE A 64 3.313 3.676 -51.329 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.403 6.595 -50.483 1.00 0.80 H new ATOM 0 HB3 PHE A 64 2.096 5.886 -51.410 1.00 0.80 H new ATOM 0 HD1 PHE A 64 2.279 3.147 -49.855 1.00 1.84 H new ATOM 0 HD2 PHE A 64 1.960 7.216 -48.640 1.00 2.11 H new ATOM 0 HE1 PHE A 64 1.189 2.435 -47.775 1.00 2.66 H new ATOM 0 HE2 PHE A 64 0.862 6.508 -46.559 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.473 4.116 -46.123 1.00 3.19 H new ATOM 978 N GLU A 65 5.544 4.766 -52.949 1.00 0.58 N ATOM 979 CA GLU A 65 6.102 5.080 -54.223 1.00 0.61 C ATOM 980 C GLU A 65 5.931 3.864 -55.139 1.00 0.65 C ATOM 981 O GLU A 65 6.029 3.951 -56.363 1.00 0.75 O ATOM 982 CB GLU A 65 7.568 5.447 -53.995 1.00 0.71 C ATOM 983 CG GLU A 65 8.456 5.085 -55.132 1.00 0.87 C ATOM 984 CD GLU A 65 8.392 6.090 -56.273 1.00 1.55 C ATOM 985 OE1 GLU A 65 7.303 6.291 -56.850 1.00 2.11 O ATOM 986 OE2 GLU A 65 9.428 6.719 -56.571 1.00 2.14 O ATOM 0 H GLU A 65 6.194 4.304 -52.314 1.00 0.58 H new ATOM 0 HA GLU A 65 5.606 5.921 -54.707 1.00 0.61 H new ATOM 0 HB2 GLU A 65 7.642 6.519 -53.815 1.00 0.71 H new ATOM 0 HB3 GLU A 65 7.923 4.947 -53.094 1.00 0.71 H new ATOM 0 HG2 GLU A 65 9.483 5.012 -54.776 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.177 4.100 -55.506 1.00 0.87 H new ATOM 993 N ASP A 66 5.612 2.727 -54.524 1.00 0.69 N ATOM 994 CA ASP A 66 5.389 1.488 -55.262 1.00 0.84 C ATOM 995 C ASP A 66 4.050 1.555 -56.001 1.00 0.80 C ATOM 996 O ASP A 66 3.684 0.640 -56.740 1.00 0.93 O ATOM 997 CB ASP A 66 5.423 0.290 -54.306 1.00 1.00 C ATOM 998 CG ASP A 66 5.650 -1.030 -55.023 1.00 1.40 C ATOM 999 OD1 ASP A 66 6.731 -1.206 -55.623 1.00 1.94 O ATOM 1000 OD2 ASP A 66 4.766 -1.908 -54.966 1.00 2.03 O ATOM 0 H ASP A 66 5.502 2.639 -53.514 1.00 0.69 H new ATOM 0 HA ASP A 66 6.184 1.361 -55.997 1.00 0.84 H new ATOM 0 HB2 ASP A 66 6.214 0.440 -53.571 1.00 1.00 H new ATOM 0 HB3 ASP A 66 4.483 0.243 -53.757 1.00 1.00 H new ATOM 1005 N LYS A 67 3.323 2.656 -55.772 1.00 0.78 N ATOM 1006 CA LYS A 67 2.096 2.974 -56.503 1.00 0.88 C ATOM 1007 C LYS A 67 0.974 1.994 -56.183 1.00 0.78 C ATOM 1008 O LYS A 67 0.041 1.815 -56.970 1.00 0.86 O ATOM 1009 CB LYS A 67 2.366 3.015 -58.011 1.00 1.17 C ATOM 1010 CG LYS A 67 3.321 4.122 -58.414 1.00 1.67 C ATOM 1011 CD LYS A 67 3.557 4.146 -59.911 1.00 2.00 C ATOM 1012 CE LYS A 67 4.490 5.280 -60.300 1.00 2.46 C ATOM 1013 NZ LYS A 67 4.713 5.338 -61.767 1.00 3.31 N ATOM 0 H LYS A 67 3.573 3.353 -55.070 1.00 0.78 H new ATOM 0 HA LYS A 67 1.766 3.961 -56.178 1.00 0.88 H new ATOM 0 HB2 LYS A 67 2.777 2.056 -58.327 1.00 1.17 H new ATOM 0 HB3 LYS A 67 1.422 3.147 -58.540 1.00 1.17 H new ATOM 0 HG2 LYS A 67 2.919 5.083 -58.094 1.00 1.67 H new ATOM 0 HG3 LYS A 67 4.272 3.987 -57.898 1.00 1.67 H new ATOM 0 HD2 LYS A 67 3.983 3.195 -60.230 1.00 2.00 H new ATOM 0 HD3 LYS A 67 2.605 4.260 -60.430 1.00 2.00 H new ATOM 0 HE2 LYS A 67 4.072 6.227 -59.959 1.00 2.46 H new ATOM 0 HE3 LYS A 67 5.446 5.153 -59.793 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 5.355 6.125 -61.990 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 5.136 4.444 -62.089 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 3.804 5.485 -62.251 1.00 3.31 H new ATOM 1027 N LYS A 68 1.052 1.392 -55.009 1.00 0.83 N ATOM 1028 CA LYS A 68 0.032 0.464 -54.557 1.00 0.90 C ATOM 1029 C LYS A 68 -1.009 1.202 -53.729 1.00 0.82 C ATOM 1030 O LYS A 68 -0.816 1.426 -52.535 1.00 0.87 O ATOM 1031 CB LYS A 68 0.663 -0.649 -53.727 1.00 1.16 C ATOM 1032 CG LYS A 68 1.783 -1.379 -54.447 1.00 1.35 C ATOM 1033 CD LYS A 68 1.275 -2.156 -55.649 1.00 1.37 C ATOM 1034 CE LYS A 68 0.349 -3.285 -55.230 1.00 1.55 C ATOM 1035 NZ LYS A 68 0.969 -4.148 -54.193 1.00 1.99 N ATOM 0 H LYS A 68 1.817 1.531 -54.348 1.00 0.83 H new ATOM 0 HA LYS A 68 -0.452 0.022 -55.428 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.052 -0.225 -52.801 1.00 1.16 H new ATOM 0 HB3 LYS A 68 -0.109 -1.367 -53.449 1.00 1.16 H new ATOM 0 HG2 LYS A 68 2.535 -0.660 -54.772 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.274 -2.063 -53.755 1.00 1.35 H new ATOM 0 HD2 LYS A 68 0.747 -1.482 -56.323 1.00 1.37 H new ATOM 0 HD3 LYS A 68 2.120 -2.564 -56.204 1.00 1.37 H new ATOM 0 HE2 LYS A 68 -0.583 -2.868 -54.847 1.00 1.55 H new ATOM 0 HE3 LYS A 68 0.094 -3.889 -56.101 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 0.464 -5.056 -54.150 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 1.967 -4.317 -54.433 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 0.911 -3.676 -53.268 1.00 1.99 H new ATOM 1049 N LEU A 69 -2.108 1.587 -54.363 1.00 0.84 N ATOM 1050 CA LEU A 69 -3.125 2.375 -53.686 1.00 0.91 C ATOM 1051 C LEU A 69 -3.894 1.526 -52.682 1.00 0.85 C ATOM 1052 O LEU A 69 -4.305 2.021 -51.634 1.00 0.83 O ATOM 1053 CB LEU A 69 -4.066 3.057 -54.697 1.00 1.16 C ATOM 1054 CG LEU A 69 -4.769 2.146 -55.713 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -6.039 1.542 -55.129 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -5.089 2.925 -56.978 1.00 2.33 C ATOM 0 H LEU A 69 -2.316 1.368 -55.337 1.00 0.84 H new ATOM 0 HA LEU A 69 -2.624 3.166 -53.128 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -4.831 3.596 -54.138 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -3.490 3.800 -55.249 1.00 1.16 H new ATOM 0 HG LEU A 69 -4.092 1.328 -55.959 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -6.513 0.902 -55.873 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -5.789 0.950 -54.248 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -6.725 2.340 -54.847 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -5.588 2.270 -57.692 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -5.744 3.761 -56.734 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -4.165 3.303 -57.416 1.00 2.33 H new ATOM 1068 N LEU A 70 -4.076 0.243 -52.989 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.756 -0.660 -52.067 1.00 0.91 C ATOM 1070 C LEU A 70 -3.910 -0.889 -50.812 1.00 0.79 C ATOM 1071 O LEU A 70 -4.445 -0.998 -49.711 1.00 0.80 O ATOM 1072 CB LEU A 70 -5.190 -1.987 -52.750 1.00 1.06 C ATOM 1073 CG LEU A 70 -4.111 -2.989 -53.235 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -3.047 -2.326 -54.093 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -3.485 -3.744 -52.069 1.00 1.07 C ATOM 0 H LEU A 70 -3.766 -0.190 -53.859 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.682 -0.179 -51.752 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.836 -2.517 -52.050 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.802 -1.724 -53.613 1.00 1.06 H new ATOM 0 HG LEU A 70 -4.623 -3.713 -53.868 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -2.316 -3.071 -54.406 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -3.513 -1.883 -54.973 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.547 -1.548 -53.516 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -2.733 -4.437 -52.446 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -3.015 -3.035 -51.387 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -4.258 -4.300 -51.539 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.586 -0.926 -50.977 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.687 -1.051 -49.833 1.00 0.70 C ATOM 1089 C ASP A 71 -1.677 0.249 -49.050 1.00 0.63 C ATOM 1090 O ASP A 71 -1.776 0.248 -47.825 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.261 -1.411 -50.270 1.00 0.77 C ATOM 1092 CG ASP A 71 -0.113 -2.870 -50.658 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.307 -3.742 -49.789 1.00 1.58 O ATOM 1094 OD2 ASP A 71 0.221 -3.151 -51.829 1.00 2.08 O ATOM 0 H ASP A 71 -2.119 -0.872 -51.882 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.053 -1.860 -49.201 1.00 0.70 H new ATOM 0 HB2 ASP A 71 0.023 -0.785 -51.116 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.430 -1.184 -49.459 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.575 1.354 -49.779 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.647 2.686 -49.194 1.00 0.74 C ATOM 1101 C ARG A 72 -2.912 2.819 -48.351 1.00 0.67 C ATOM 1102 O ARG A 72 -2.868 3.260 -47.204 1.00 0.68 O ATOM 1103 CB ARG A 72 -1.615 3.736 -50.323 1.00 0.92 C ATOM 1104 CG ARG A 72 -1.689 5.195 -49.874 1.00 1.31 C ATOM 1105 CD ARG A 72 -3.123 5.645 -49.627 1.00 1.53 C ATOM 1106 NE ARG A 72 -3.229 7.092 -49.447 1.00 1.92 N ATOM 1107 CZ ARG A 72 -3.986 7.675 -48.519 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -4.647 6.935 -47.635 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -4.076 8.997 -48.479 1.00 2.93 N ATOM 0 H ARG A 72 -1.440 1.351 -50.790 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.792 2.851 -48.539 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -0.699 3.598 -50.897 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -2.447 3.541 -50.999 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -1.107 5.323 -48.962 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -1.235 5.831 -50.634 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -3.747 5.339 -50.467 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -3.512 5.142 -48.742 1.00 1.53 H new ATOM 0 HE ARG A 72 -2.690 7.692 -50.071 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -4.575 5.918 -47.666 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -5.226 7.384 -46.925 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -3.567 9.564 -49.157 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -4.655 9.448 -47.770 1.00 2.93 H new ATOM 1123 N HIS A 73 -4.032 2.407 -48.926 1.00 0.68 N ATOM 1124 CA HIS A 73 -5.324 2.513 -48.267 1.00 0.71 C ATOM 1125 C HIS A 73 -5.394 1.614 -47.035 1.00 0.62 C ATOM 1126 O HIS A 73 -5.708 2.082 -45.941 1.00 0.62 O ATOM 1127 CB HIS A 73 -6.440 2.152 -49.255 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.825 2.399 -48.739 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.470 3.611 -48.865 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.695 1.579 -48.102 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.675 3.525 -48.329 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.835 2.303 -47.860 1.00 1.15 N ATOM 0 H HIS A 73 -4.071 1.992 -49.857 1.00 0.68 H new ATOM 0 HA HIS A 73 -5.456 3.542 -47.934 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -6.298 2.726 -50.171 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -6.347 1.099 -49.521 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.523 0.547 -47.834 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -10.404 4.320 -48.283 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.671 1.953 -47.393 1.00 1.15 H new ATOM 1141 N ARG A 74 -5.085 0.332 -47.209 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.271 -0.648 -46.142 1.00 0.59 C ATOM 1143 C ARG A 74 -4.324 -0.399 -44.964 1.00 0.51 C ATOM 1144 O ARG A 74 -4.740 -0.485 -43.809 1.00 0.52 O ATOM 1145 CB ARG A 74 -5.118 -2.078 -46.681 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.695 -2.477 -47.046 1.00 0.74 C ATOM 1147 CD ARG A 74 -3.664 -3.781 -47.830 1.00 0.86 C ATOM 1148 NE ARG A 74 -4.488 -4.822 -47.212 1.00 0.88 N ATOM 1149 CZ ARG A 74 -4.060 -6.056 -46.939 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -2.797 -6.393 -47.172 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -4.899 -6.945 -46.420 1.00 1.32 N ATOM 0 H ARG A 74 -4.706 -0.052 -48.075 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.287 -0.531 -45.766 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.494 -2.775 -45.932 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.748 -2.187 -47.564 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -3.234 -1.685 -47.637 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -3.102 -2.583 -46.138 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -4.014 -3.600 -48.846 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -2.635 -4.132 -47.905 1.00 0.86 H new ATOM 0 HE ARG A 74 -5.452 -4.589 -46.975 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -2.150 -5.707 -47.561 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -2.474 -7.337 -46.962 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -5.867 -6.683 -46.231 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -4.576 -7.889 -46.210 1.00 1.32 H new ATOM 1165 N LEU A 75 -3.066 -0.068 -45.250 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.087 0.181 -44.193 1.00 0.46 C ATOM 1167 C LEU A 75 -2.495 1.395 -43.370 1.00 0.42 C ATOM 1168 O LEU A 75 -2.550 1.337 -42.137 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.689 0.391 -44.781 1.00 0.51 C ATOM 1170 CG LEU A 75 -0.075 -0.833 -45.466 1.00 0.79 C ATOM 1171 CD1 LEU A 75 1.279 -0.483 -46.064 1.00 1.48 C ATOM 1172 CD2 LEU A 75 0.058 -1.985 -44.481 1.00 1.36 C ATOM 0 H LEU A 75 -2.702 0.034 -46.198 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.059 -0.694 -43.544 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.736 1.206 -45.504 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.021 0.712 -43.981 1.00 0.51 H new ATOM 0 HG LEU A 75 -0.738 -1.146 -46.273 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.702 -1.364 -46.547 1.00 1.48 H new ATOM 0 HD12 LEU A 75 1.157 0.311 -46.800 1.00 1.48 H new ATOM 0 HD13 LEU A 75 1.950 -0.145 -45.274 1.00 1.48 H new ATOM 0 HD21 LEU A 75 0.496 -2.846 -44.985 1.00 1.36 H new ATOM 0 HD22 LEU A 75 0.700 -1.684 -43.653 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -0.927 -2.251 -44.098 1.00 1.36 H new ATOM 1184 N VAL A 76 -2.802 2.486 -44.065 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.246 3.707 -43.413 1.00 0.50 C ATOM 1186 C VAL A 76 -4.494 3.445 -42.572 1.00 0.48 C ATOM 1187 O VAL A 76 -4.560 3.841 -41.414 1.00 0.50 O ATOM 1188 CB VAL A 76 -3.527 4.821 -44.450 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -4.321 5.965 -43.838 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.220 5.340 -45.028 1.00 0.82 C ATOM 0 H VAL A 76 -2.750 2.546 -45.082 1.00 0.45 H new ATOM 0 HA VAL A 76 -2.444 4.044 -42.756 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.127 4.389 -45.251 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -4.500 6.729 -44.594 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -5.275 5.589 -43.469 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -3.757 6.398 -43.011 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -2.430 6.123 -45.756 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -1.603 5.746 -44.226 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -1.688 4.523 -45.516 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.460 2.741 -43.146 1.00 0.48 N ATOM 1201 CA ASN A 77 -6.717 2.460 -42.454 1.00 0.53 C ATOM 1202 C ASN A 77 -6.490 1.639 -41.191 1.00 0.49 C ATOM 1203 O ASN A 77 -7.110 1.896 -40.164 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.698 1.730 -43.376 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.450 2.666 -44.306 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -7.839 3.788 -44.658 1.00 1.14 O flip ATOM 1207 ND2 ASN A 77 -9.576 2.382 -44.708 1.00 0.92 N flip ATOM 0 H ASN A 77 -5.401 2.353 -44.088 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.146 3.420 -42.167 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.152 0.998 -43.971 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.415 1.177 -42.769 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -10.016 1.509 -44.417 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -10.070 3.019 -45.333 1.00 0.92 H new ATOM 1214 N THR A 78 -5.589 0.665 -41.264 1.00 0.45 N ATOM 1215 CA THR A 78 -5.329 -0.223 -40.136 1.00 0.50 C ATOM 1216 C THR A 78 -4.824 0.551 -38.912 1.00 0.46 C ATOM 1217 O THR A 78 -5.365 0.409 -37.813 1.00 0.50 O ATOM 1218 CB THR A 78 -4.306 -1.316 -40.512 1.00 0.57 C ATOM 1219 OG1 THR A 78 -4.776 -2.056 -41.646 1.00 0.62 O ATOM 1220 CG2 THR A 78 -4.068 -2.271 -39.350 1.00 0.69 C ATOM 0 H THR A 78 -5.026 0.470 -42.092 1.00 0.45 H new ATOM 0 HA THR A 78 -6.278 -0.695 -39.881 1.00 0.50 H new ATOM 0 HB THR A 78 -3.364 -0.825 -40.755 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.826 -1.464 -42.425 1.00 0.62 H new ATOM 0 HG21 THR A 78 -3.343 -3.030 -39.645 1.00 0.69 H new ATOM 0 HG22 THR A 78 -3.684 -1.715 -38.495 1.00 0.69 H new ATOM 0 HG23 THR A 78 -5.007 -2.753 -39.077 1.00 0.69 H new ATOM 1228 N ILE A 79 -3.801 1.377 -39.104 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.192 2.096 -37.985 1.00 0.45 C ATOM 1230 C ILE A 79 -4.002 3.342 -37.618 1.00 0.45 C ATOM 1231 O ILE A 79 -4.340 3.558 -36.448 1.00 0.50 O ATOM 1232 CB ILE A 79 -1.720 2.490 -38.284 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -0.809 1.256 -38.275 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.214 3.518 -37.280 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.962 0.352 -39.481 1.00 0.77 C ATOM 0 H ILE A 79 -3.378 1.566 -40.013 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.195 1.414 -37.135 1.00 0.45 H new ATOM 0 HB ILE A 79 -1.695 2.935 -39.279 1.00 0.51 H new ATOM 0 HG12 ILE A 79 0.228 1.586 -38.214 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.013 0.677 -37.375 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.181 3.776 -37.513 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -1.833 4.414 -37.333 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.266 3.101 -36.274 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.280 -0.494 -39.390 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -1.988 -0.013 -39.535 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.728 0.911 -40.387 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.338 4.139 -38.623 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.050 5.387 -38.407 1.00 0.52 C ATOM 1249 C LEU A 80 -6.488 5.145 -37.962 1.00 0.56 C ATOM 1250 O LEU A 80 -7.186 6.081 -37.612 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.023 6.264 -39.664 1.00 0.56 C ATOM 1252 CG LEU A 80 -3.711 7.021 -39.916 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -2.560 6.069 -40.209 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -3.883 8.006 -41.057 1.00 0.71 C ATOM 0 H LEU A 80 -4.127 3.940 -39.601 1.00 0.45 H new ATOM 0 HA LEU A 80 -4.534 5.915 -37.605 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.230 5.634 -40.529 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -5.833 6.990 -39.596 1.00 0.56 H new ATOM 0 HG LEU A 80 -3.464 7.568 -39.006 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -1.649 6.642 -40.382 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.414 5.403 -39.359 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -2.792 5.480 -41.096 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -2.945 8.536 -41.225 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -4.163 7.468 -41.963 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -4.664 8.723 -40.804 1.00 0.71 H new ATOM 1266 N LYS A 81 -6.931 3.893 -37.981 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.227 3.541 -37.410 1.00 0.68 C ATOM 1268 C LYS A 81 -8.295 3.994 -35.954 1.00 0.68 C ATOM 1269 O LYS A 81 -9.146 4.799 -35.574 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.460 2.030 -37.499 1.00 0.77 C ATOM 1271 CG LYS A 81 -9.675 1.552 -36.724 1.00 1.02 C ATOM 1272 CD LYS A 81 -10.950 2.211 -37.216 1.00 0.99 C ATOM 1273 CE LYS A 81 -12.111 1.931 -36.278 1.00 1.56 C ATOM 1274 NZ LYS A 81 -12.409 0.478 -36.171 1.00 1.93 N ATOM 0 H LYS A 81 -6.416 3.109 -38.383 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.007 4.047 -37.979 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.575 1.750 -38.546 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.576 1.513 -37.126 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -9.765 0.470 -36.819 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -9.539 1.769 -35.664 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -10.798 3.287 -37.299 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.190 1.845 -38.214 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -11.880 2.327 -35.289 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -12.997 2.457 -36.633 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -13.260 0.340 -35.589 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -12.572 0.086 -37.120 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -11.604 -0.010 -35.729 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.381 3.473 -35.149 1.00 0.69 N ATOM 1289 CA GLU A 82 -7.285 3.853 -33.748 1.00 0.73 C ATOM 1290 C GLU A 82 -6.809 5.296 -33.626 1.00 0.67 C ATOM 1291 O GLU A 82 -7.266 6.042 -32.761 1.00 0.68 O ATOM 1292 CB GLU A 82 -6.313 2.922 -33.020 1.00 0.90 C ATOM 1293 CG GLU A 82 -6.155 3.236 -31.541 1.00 1.53 C ATOM 1294 CD GLU A 82 -4.916 2.604 -30.945 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -4.952 1.405 -30.609 1.00 2.91 O ATOM 1296 OE2 GLU A 82 -3.891 3.307 -30.813 1.00 2.75 O ATOM 0 H GLU A 82 -6.692 2.782 -35.445 1.00 0.69 H new ATOM 0 HA GLU A 82 -8.271 3.767 -33.292 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -6.659 1.894 -33.129 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -5.337 2.983 -33.501 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -6.109 4.317 -31.405 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -7.034 2.884 -31.002 1.00 1.53 H new ATOM 1303 N GLU A 83 -5.899 5.679 -34.511 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.340 7.028 -34.520 1.00 0.64 C ATOM 1305 C GLU A 83 -6.446 8.089 -34.611 1.00 0.55 C ATOM 1306 O GLU A 83 -6.404 9.103 -33.909 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.361 7.147 -35.688 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.705 8.504 -35.823 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.610 8.509 -36.865 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -1.586 7.824 -36.653 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -2.781 9.183 -37.899 1.00 1.66 O ATOM 0 H GLU A 83 -5.528 5.069 -35.240 1.00 0.64 H new ATOM 0 HA GLU A 83 -4.810 7.205 -33.584 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -3.584 6.392 -35.572 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -4.890 6.920 -36.613 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -4.459 9.245 -36.088 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -3.289 8.802 -34.860 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.448 7.822 -35.447 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.589 8.723 -35.643 1.00 0.48 C ATOM 1320 C LEU A 84 -9.289 9.065 -34.336 1.00 0.52 C ATOM 1321 O LEU A 84 -9.847 10.150 -34.202 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.611 8.122 -36.612 1.00 0.50 C ATOM 1323 CG LEU A 84 -9.180 8.069 -38.078 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -10.278 7.461 -38.936 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.816 9.456 -38.582 1.00 0.51 C ATOM 0 H LEU A 84 -7.494 6.973 -36.010 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.179 9.640 -36.065 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -9.844 7.109 -36.284 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.533 8.699 -36.544 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.296 7.436 -38.151 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.953 7.432 -39.976 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.489 6.448 -38.593 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -11.181 8.067 -38.855 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -8.512 9.395 -39.627 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.680 10.114 -38.493 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.994 9.855 -37.988 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.273 8.136 -33.379 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.021 8.310 -32.134 1.00 0.67 C ATOM 1339 C GLN A 85 -9.553 9.554 -31.373 1.00 0.70 C ATOM 1340 O GLN A 85 -10.260 10.062 -30.502 1.00 0.81 O ATOM 1341 CB GLN A 85 -9.887 7.085 -31.220 1.00 0.75 C ATOM 1342 CG GLN A 85 -10.215 5.743 -31.872 1.00 0.80 C ATOM 1343 CD GLN A 85 -11.468 5.768 -32.729 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -12.584 5.617 -32.231 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.283 5.896 -34.034 1.00 0.72 N ATOM 0 H GLN A 85 -8.753 7.260 -33.442 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.068 8.432 -32.413 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -8.866 7.046 -30.841 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -10.542 7.221 -30.359 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -9.371 5.433 -32.488 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -10.334 4.990 -31.093 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.341 6.019 -34.406 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.082 5.871 -34.667 1.00 0.72 H new ATOM 1354 N ASN A 86 -8.362 10.045 -31.704 1.00 0.64 N ATOM 1355 CA ASN A 86 -7.796 11.207 -31.026 1.00 0.71 C ATOM 1356 C ASN A 86 -7.954 12.466 -31.877 1.00 0.67 C ATOM 1357 O ASN A 86 -7.457 13.534 -31.521 1.00 0.77 O ATOM 1358 CB ASN A 86 -6.309 10.989 -30.730 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.030 9.705 -29.973 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -6.064 9.673 -28.742 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -5.728 8.642 -30.707 1.00 0.87 N ATOM 0 H ASN A 86 -7.770 9.656 -32.438 1.00 0.64 H new ATOM 0 HA ASN A 86 -8.338 11.336 -30.089 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -5.757 10.976 -31.670 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -5.933 11.833 -30.151 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -5.512 7.754 -30.254 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -5.711 8.713 -31.724 1.00 0.87 H new ATOM 1368 N ILE A 87 -8.642 12.337 -33.004 1.00 0.61 N ATOM 1369 CA ILE A 87 -8.778 13.439 -33.951 1.00 0.62 C ATOM 1370 C ILE A 87 -10.253 13.675 -34.274 1.00 0.67 C ATOM 1371 O ILE A 87 -11.095 12.827 -33.981 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.013 13.144 -35.267 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.733 12.357 -34.972 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.679 14.441 -35.996 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.940 11.977 -36.202 1.00 0.59 C ATOM 0 H ILE A 87 -9.116 11.479 -33.286 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.352 14.329 -33.488 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.655 12.542 -35.911 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.099 12.951 -34.314 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -6.995 11.449 -34.428 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.142 14.213 -36.917 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.601 14.972 -36.235 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.055 15.067 -35.358 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -5.050 11.423 -35.904 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.554 11.355 -36.853 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.643 12.879 -36.737 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.570 14.828 -34.847 1.00 0.71 N ATOM 1388 CA HIS A 88 -11.929 15.085 -35.310 1.00 0.80 C ATOM 1389 C HIS A 88 -12.028 14.781 -36.799 1.00 0.76 C ATOM 1390 O HIS A 88 -12.902 14.034 -37.237 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.340 16.537 -35.039 1.00 0.95 C ATOM 1392 CG HIS A 88 -13.810 16.785 -35.217 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -14.675 16.944 -34.159 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.567 16.896 -36.336 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -15.897 17.143 -34.615 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.859 17.118 -35.933 1.00 1.85 N ATOM 0 H HIS A 88 -9.914 15.593 -35.002 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.610 14.435 -34.760 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.055 16.803 -34.021 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -11.785 17.195 -35.708 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -14.218 16.823 -37.355 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -16.779 17.300 -34.011 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.660 17.243 -36.552 1.00 1.85 H new ATOM 1405 N ALA A 89 -11.124 15.368 -37.572 1.00 0.69 N ATOM 1406 CA ALA A 89 -11.066 15.132 -39.005 1.00 0.68 C ATOM 1407 C ALA A 89 -9.620 15.134 -39.483 1.00 0.62 C ATOM 1408 O ALA A 89 -9.002 16.190 -39.622 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.882 16.178 -39.752 1.00 0.78 C ATOM 0 H ALA A 89 -10.416 16.016 -37.225 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.496 14.152 -39.214 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.827 15.985 -40.823 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.921 16.129 -39.427 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.483 17.170 -39.541 1.00 0.78 H new ATOM 1415 N PHE A 90 -9.070 13.949 -39.690 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.697 13.818 -40.150 1.00 0.47 C ATOM 1417 C PHE A 90 -7.639 13.714 -41.671 1.00 0.48 C ATOM 1418 O PHE A 90 -8.498 13.091 -42.297 1.00 0.63 O ATOM 1419 CB PHE A 90 -7.053 12.584 -39.514 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.585 12.452 -39.792 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.669 13.249 -39.123 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -5.119 11.532 -40.715 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -3.317 13.127 -39.369 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.769 11.408 -40.965 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.866 12.204 -40.292 1.00 0.49 C ATOM 0 H PHE A 90 -9.554 13.063 -39.547 1.00 0.52 H new ATOM 0 HA PHE A 90 -7.146 14.709 -39.849 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -7.206 12.622 -38.436 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.563 11.692 -39.878 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -5.018 13.973 -38.402 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.820 10.905 -41.245 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.612 13.752 -38.841 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.418 10.687 -41.688 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.808 12.106 -40.486 1.00 0.49 H new ATOM 1435 N SER A 91 -6.635 14.347 -42.254 1.00 0.44 N ATOM 1436 CA SER A 91 -6.378 14.259 -43.683 1.00 0.48 C ATOM 1437 C SER A 91 -4.876 14.124 -43.903 1.00 0.45 C ATOM 1438 O SER A 91 -4.100 14.384 -42.989 1.00 0.52 O ATOM 1439 CB SER A 91 -6.922 15.499 -44.395 1.00 0.56 C ATOM 1440 OG SER A 91 -8.293 15.698 -44.080 1.00 1.27 O ATOM 0 H SER A 91 -5.974 14.938 -41.750 1.00 0.44 H new ATOM 0 HA SER A 91 -6.883 13.387 -44.098 1.00 0.48 H new ATOM 0 HB2 SER A 91 -6.345 16.376 -44.101 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.804 15.387 -45.473 1.00 0.56 H new ATOM 0 HG SER A 91 -8.623 16.496 -44.543 1.00 1.27 H new ATOM 1446 N MET A 92 -4.458 13.701 -45.089 1.00 0.48 N ATOM 1447 CA MET A 92 -3.035 13.524 -45.354 1.00 0.48 C ATOM 1448 C MET A 92 -2.688 13.854 -46.802 1.00 0.53 C ATOM 1449 O MET A 92 -3.521 13.717 -47.700 1.00 0.62 O ATOM 1450 CB MET A 92 -2.587 12.091 -45.022 1.00 0.52 C ATOM 1451 CG MET A 92 -3.073 11.025 -45.999 1.00 0.61 C ATOM 1452 SD MET A 92 -4.849 10.712 -45.912 1.00 0.64 S ATOM 1453 CE MET A 92 -5.010 10.112 -44.231 1.00 0.64 C ATOM 0 H MET A 92 -5.072 13.477 -45.872 1.00 0.48 H new ATOM 0 HA MET A 92 -2.500 14.220 -44.708 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.498 12.064 -44.990 1.00 0.52 H new ATOM 0 HB3 MET A 92 -2.942 11.837 -44.023 1.00 0.52 H new ATOM 0 HG2 MET A 92 -2.817 11.331 -47.013 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.540 10.095 -45.802 1.00 0.61 H new ATOM 0 HE1 MET A 92 -5.819 9.384 -44.181 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.077 9.640 -43.922 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.231 10.947 -43.566 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.453 14.293 -47.009 1.00 0.52 N ATOM 1464 CA LYS A 93 -0.938 14.589 -48.342 1.00 0.59 C ATOM 1465 C LYS A 93 0.174 13.604 -48.688 1.00 0.49 C ATOM 1466 O LYS A 93 1.213 13.582 -48.028 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.385 16.018 -48.405 1.00 0.70 C ATOM 1468 CG LYS A 93 -1.357 17.085 -47.927 1.00 1.14 C ATOM 1469 CD LYS A 93 -2.565 17.206 -48.840 1.00 1.44 C ATOM 1470 CE LYS A 93 -3.569 18.206 -48.289 1.00 1.93 C ATOM 1471 NZ LYS A 93 -4.733 18.391 -49.193 1.00 2.23 N ATOM 0 H LYS A 93 -0.780 14.454 -46.260 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.755 14.497 -49.058 1.00 0.59 H new ATOM 0 HB2 LYS A 93 0.521 16.072 -47.802 1.00 0.70 H new ATOM 0 HB3 LYS A 93 -0.097 16.239 -49.433 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -1.689 16.846 -46.917 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -0.844 18.045 -47.875 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -2.244 17.518 -49.834 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -3.041 16.231 -48.950 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -3.919 17.867 -47.314 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -3.076 19.166 -48.134 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -5.390 19.081 -48.776 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -4.404 18.740 -50.116 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -5.221 17.482 -49.321 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.041 12.791 -49.711 1.00 0.56 N ATOM 1486 CA CYS A 94 0.932 11.776 -50.094 1.00 0.54 C ATOM 1487 C CYS A 94 2.006 12.372 -51.000 1.00 0.52 C ATOM 1488 O CYS A 94 1.698 12.959 -52.040 1.00 0.64 O ATOM 1489 CB CYS A 94 0.230 10.613 -50.801 1.00 0.73 C ATOM 1490 SG CYS A 94 1.316 9.228 -51.223 1.00 1.38 S ATOM 0 H CYS A 94 -0.880 12.813 -50.291 1.00 0.56 H new ATOM 0 HA CYS A 94 1.414 11.402 -49.190 1.00 0.54 H new ATOM 0 HB2 CYS A 94 -0.573 10.247 -50.162 1.00 0.73 H new ATOM 0 HB3 CYS A 94 -0.234 10.986 -51.714 1.00 0.73 H new ATOM 0 HG CYS A 94 0.625 8.299 -51.814 1.00 1.38 H new ATOM 1496 N HIS A 95 3.264 12.230 -50.601 1.00 0.44 N ATOM 1497 CA HIS A 95 4.377 12.740 -51.391 1.00 0.50 C ATOM 1498 C HIS A 95 5.602 11.840 -51.206 1.00 0.44 C ATOM 1499 O HIS A 95 5.738 11.168 -50.182 1.00 0.44 O ATOM 1500 CB HIS A 95 4.699 14.183 -50.970 1.00 0.62 C ATOM 1501 CG HIS A 95 5.233 15.046 -52.075 1.00 0.95 C ATOM 1502 ND1 HIS A 95 4.467 15.987 -52.728 1.00 1.36 N ATOM 1503 CD2 HIS A 95 6.464 15.117 -52.637 1.00 1.84 C ATOM 1504 CE1 HIS A 95 5.198 16.594 -53.642 1.00 1.65 C ATOM 1505 NE2 HIS A 95 6.415 16.088 -53.610 1.00 1.98 N ATOM 0 H HIS A 95 3.539 11.766 -49.735 1.00 0.44 H new ATOM 0 HA HIS A 95 4.101 12.739 -52.445 1.00 0.50 H new ATOM 0 HB2 HIS A 95 3.795 14.643 -50.571 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.428 14.158 -50.160 1.00 0.62 H new ATOM 0 HD1 HIS A 95 3.485 16.184 -52.534 1.00 1.36 H new ATOM 0 HD2 HIS A 95 7.324 14.521 -52.370 1.00 1.84 H new ATOM 0 HE1 HIS A 95 4.857 17.375 -54.306 1.00 1.65 H new ATOM 1514 N THR A 96 6.470 11.800 -52.205 1.00 0.46 N ATOM 1515 CA THR A 96 7.691 11.011 -52.124 1.00 0.49 C ATOM 1516 C THR A 96 8.911 11.881 -51.831 1.00 0.46 C ATOM 1517 O THR A 96 8.944 13.063 -52.187 1.00 0.47 O ATOM 1518 CB THR A 96 7.925 10.213 -53.417 1.00 0.58 C ATOM 1519 OG1 THR A 96 7.403 10.924 -54.550 1.00 0.76 O ATOM 1520 CG2 THR A 96 7.286 8.842 -53.319 1.00 0.65 C ATOM 0 H THR A 96 6.352 12.305 -53.083 1.00 0.46 H new ATOM 0 HA THR A 96 7.559 10.315 -51.296 1.00 0.49 H new ATOM 0 HB THR A 96 8.999 10.087 -53.551 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.562 10.403 -55.365 1.00 0.76 H new ATOM 0 HG21 THR A 96 7.462 8.292 -54.243 1.00 0.65 H new ATOM 0 HG22 THR A 96 7.723 8.296 -52.483 1.00 0.65 H new ATOM 0 HG23 THR A 96 6.213 8.951 -53.160 1.00 0.65 H new ATOM 1528 N PRO A 97 9.934 11.296 -51.176 1.00 0.47 N ATOM 1529 CA PRO A 97 11.145 12.020 -50.777 1.00 0.48 C ATOM 1530 C PRO A 97 11.874 12.625 -51.969 1.00 0.52 C ATOM 1531 O PRO A 97 12.228 13.802 -51.960 1.00 0.54 O ATOM 1532 CB PRO A 97 12.024 10.951 -50.115 1.00 0.53 C ATOM 1533 CG PRO A 97 11.117 9.810 -49.802 1.00 0.72 C ATOM 1534 CD PRO A 97 9.979 9.879 -50.779 1.00 0.51 C ATOM 0 HA PRO A 97 10.907 12.856 -50.120 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.828 10.639 -50.782 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.493 11.337 -49.210 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.645 8.861 -49.891 1.00 0.72 H new ATOM 0 HG3 PRO A 97 10.751 9.877 -48.777 1.00 0.72 H new ATOM 0 HD2 PRO A 97 10.150 9.229 -51.637 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.041 9.563 -50.322 1.00 0.51 H new ATOM 1542 N LEU A 98 12.069 11.814 -52.999 1.00 0.60 N ATOM 1543 CA LEU A 98 12.805 12.238 -54.183 1.00 0.71 C ATOM 1544 C LEU A 98 12.105 13.398 -54.881 1.00 0.66 C ATOM 1545 O LEU A 98 12.760 14.297 -55.400 1.00 0.71 O ATOM 1546 CB LEU A 98 12.986 11.073 -55.166 1.00 0.88 C ATOM 1547 CG LEU A 98 13.992 9.989 -54.748 1.00 1.34 C ATOM 1548 CD1 LEU A 98 15.338 10.609 -54.408 1.00 2.08 C ATOM 1549 CD2 LEU A 98 13.467 9.170 -53.577 1.00 1.78 C ATOM 0 H LEU A 98 11.726 10.854 -53.039 1.00 0.60 H new ATOM 0 HA LEU A 98 13.788 12.573 -53.851 1.00 0.71 H new ATOM 0 HB2 LEU A 98 12.016 10.600 -55.321 1.00 0.88 H new ATOM 0 HB3 LEU A 98 13.299 11.480 -56.127 1.00 0.88 H new ATOM 0 HG LEU A 98 14.126 9.314 -55.594 1.00 1.34 H new ATOM 0 HD11 LEU A 98 16.036 9.825 -54.115 1.00 2.08 H new ATOM 0 HD12 LEU A 98 15.728 11.134 -55.280 1.00 2.08 H new ATOM 0 HD13 LEU A 98 15.217 11.313 -53.585 1.00 2.08 H new ATOM 0 HD21 LEU A 98 14.201 8.412 -53.305 1.00 1.78 H new ATOM 0 HD22 LEU A 98 13.290 9.826 -52.725 1.00 1.78 H new ATOM 0 HD23 LEU A 98 12.533 8.685 -53.862 1.00 1.78 H new ATOM 1561 N GLU A 99 10.778 13.381 -54.877 1.00 0.65 N ATOM 1562 CA GLU A 99 10.004 14.425 -55.535 1.00 0.72 C ATOM 1563 C GLU A 99 10.011 15.705 -54.703 1.00 0.64 C ATOM 1564 O GLU A 99 10.105 16.806 -55.243 1.00 0.71 O ATOM 1565 CB GLU A 99 8.573 13.946 -55.796 1.00 0.88 C ATOM 1566 CG GLU A 99 7.739 14.912 -56.625 1.00 1.19 C ATOM 1567 CD GLU A 99 8.433 15.340 -57.906 1.00 1.91 C ATOM 1568 OE1 GLU A 99 8.931 14.468 -58.645 1.00 2.44 O ATOM 1569 OE2 GLU A 99 8.505 16.557 -58.167 1.00 2.69 O ATOM 0 H GLU A 99 10.217 12.658 -54.427 1.00 0.65 H new ATOM 0 HA GLU A 99 10.468 14.647 -56.496 1.00 0.72 H new ATOM 0 HB2 GLU A 99 8.610 12.984 -56.306 1.00 0.88 H new ATOM 0 HB3 GLU A 99 8.076 13.781 -54.840 1.00 0.88 H new ATOM 0 HG2 GLU A 99 6.787 14.443 -56.873 1.00 1.19 H new ATOM 0 HG3 GLU A 99 7.513 15.795 -56.027 1.00 1.19 H new ATOM 1576 N TYR A 100 9.935 15.557 -53.385 1.00 0.57 N ATOM 1577 CA TYR A 100 10.000 16.708 -52.490 1.00 0.63 C ATOM 1578 C TYR A 100 11.374 17.363 -52.578 1.00 0.66 C ATOM 1579 O TYR A 100 11.501 18.583 -52.465 1.00 0.76 O ATOM 1580 CB TYR A 100 9.697 16.291 -51.044 1.00 0.67 C ATOM 1581 CG TYR A 100 9.849 17.413 -50.035 1.00 0.85 C ATOM 1582 CD1 TYR A 100 9.033 18.538 -50.088 1.00 0.98 C ATOM 1583 CD2 TYR A 100 10.809 17.347 -49.032 1.00 0.96 C ATOM 1584 CE1 TYR A 100 9.172 19.565 -49.170 1.00 1.17 C ATOM 1585 CE2 TYR A 100 10.953 18.368 -48.112 1.00 1.15 C ATOM 1586 CZ TYR A 100 10.133 19.475 -48.186 1.00 1.24 C ATOM 1587 OH TYR A 100 10.275 20.495 -47.268 1.00 1.46 O ATOM 0 H TYR A 100 9.829 14.658 -52.914 1.00 0.57 H new ATOM 0 HA TYR A 100 9.245 17.430 -52.800 1.00 0.63 H new ATOM 0 HB2 TYR A 100 8.679 15.906 -50.993 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.361 15.473 -50.766 1.00 0.67 H new ATOM 0 HD1 TYR A 100 8.279 18.612 -50.858 1.00 0.98 H new ATOM 0 HD2 TYR A 100 11.454 16.483 -48.971 1.00 0.96 H new ATOM 0 HE1 TYR A 100 8.531 20.432 -49.225 1.00 1.17 H new ATOM 0 HE2 TYR A 100 11.704 18.300 -47.339 1.00 1.15 H new ATOM 0 HH TYR A 100 10.996 20.274 -46.642 1.00 1.46 H new ATOM 1597 N ASP A 101 12.391 16.536 -52.803 1.00 0.66 N ATOM 1598 CA ASP A 101 13.770 17.001 -52.938 1.00 0.78 C ATOM 1599 C ASP A 101 13.897 18.080 -54.013 1.00 0.81 C ATOM 1600 O ASP A 101 14.562 19.092 -53.800 1.00 0.93 O ATOM 1601 CB ASP A 101 14.690 15.821 -53.258 1.00 0.88 C ATOM 1602 CG ASP A 101 16.108 16.251 -53.577 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.853 16.612 -52.643 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.490 16.209 -54.767 1.00 1.14 O ATOM 0 H ASP A 101 12.284 15.526 -52.897 1.00 0.66 H new ATOM 0 HA ASP A 101 14.070 17.445 -51.989 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.705 15.137 -52.409 1.00 0.88 H new ATOM 0 HB3 ASP A 101 14.283 15.269 -54.105 1.00 0.88 H new ATOM 1609 N LYS A 102 13.245 17.874 -55.157 1.00 0.75 N ATOM 1610 CA LYS A 102 13.267 18.873 -56.224 1.00 0.84 C ATOM 1611 C LYS A 102 12.638 20.176 -55.754 1.00 0.89 C ATOM 1612 O LYS A 102 13.211 21.248 -55.929 1.00 1.05 O ATOM 1613 CB LYS A 102 12.533 18.393 -57.483 1.00 0.88 C ATOM 1614 CG LYS A 102 13.367 17.515 -58.405 1.00 1.03 C ATOM 1615 CD LYS A 102 13.318 16.055 -58.003 1.00 1.09 C ATOM 1616 CE LYS A 102 11.902 15.502 -58.075 1.00 1.86 C ATOM 1617 NZ LYS A 102 11.306 15.625 -59.434 1.00 2.66 N ATOM 0 H LYS A 102 12.702 17.036 -55.367 1.00 0.75 H new ATOM 0 HA LYS A 102 14.315 19.034 -56.476 1.00 0.84 H new ATOM 0 HB2 LYS A 102 11.644 17.839 -57.181 1.00 0.88 H new ATOM 0 HB3 LYS A 102 12.191 19.264 -58.043 1.00 0.88 H new ATOM 0 HG2 LYS A 102 13.007 17.621 -59.428 1.00 1.03 H new ATOM 0 HG3 LYS A 102 14.401 17.859 -58.394 1.00 1.03 H new ATOM 0 HD2 LYS A 102 13.970 15.475 -58.657 1.00 1.09 H new ATOM 0 HD3 LYS A 102 13.702 15.943 -56.989 1.00 1.09 H new ATOM 0 HE2 LYS A 102 11.911 14.453 -57.780 1.00 1.86 H new ATOM 0 HE3 LYS A 102 11.273 16.030 -57.358 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 10.417 15.087 -59.473 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 11.114 16.626 -59.640 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 11.970 15.248 -60.140 1.00 2.66 H new ATOM 1631 N LEU A 103 11.472 20.072 -55.135 1.00 0.83 N ATOM 1632 CA LEU A 103 10.720 21.246 -54.710 1.00 0.97 C ATOM 1633 C LEU A 103 11.517 22.085 -53.717 1.00 1.12 C ATOM 1634 O LEU A 103 11.613 23.306 -53.859 1.00 1.31 O ATOM 1635 CB LEU A 103 9.387 20.827 -54.088 1.00 0.98 C ATOM 1636 CG LEU A 103 8.500 19.956 -54.980 1.00 0.91 C ATOM 1637 CD1 LEU A 103 7.172 19.674 -54.297 1.00 1.01 C ATOM 1638 CD2 LEU A 103 8.278 20.625 -56.329 1.00 1.00 C ATOM 0 H LEU A 103 11.023 19.183 -54.914 1.00 0.83 H new ATOM 0 HA LEU A 103 10.528 21.856 -55.593 1.00 0.97 H new ATOM 0 HB2 LEU A 103 9.589 20.286 -53.164 1.00 0.98 H new ATOM 0 HB3 LEU A 103 8.832 21.725 -53.816 1.00 0.98 H new ATOM 0 HG LEU A 103 9.008 19.006 -55.149 1.00 0.91 H new ATOM 0 HD11 LEU A 103 6.554 19.053 -54.946 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.350 19.152 -53.357 1.00 1.01 H new ATOM 0 HD13 LEU A 103 6.658 20.615 -54.098 1.00 1.01 H new ATOM 0 HD21 LEU A 103 7.645 19.991 -56.950 1.00 1.00 H new ATOM 0 HD22 LEU A 103 7.792 21.589 -56.181 1.00 1.00 H new ATOM 0 HD23 LEU A 103 9.238 20.774 -56.823 1.00 1.00 H new