USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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 72 MET CE :methyl -172:sc=-0.000566 (180deg=-0.0677) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1.09) USER MOD Set 2.1: A 57 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 2.2: A 93 MET CE :methyl 175:sc= -0.012 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 1.33 K(o=1.3,f=-5.9!) USER MOD Single : A 45 THR OG1 : rot -66:sc= 0.717 USER MOD Single : A 47 THR OG1 : rot 105:sc= 0.106 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0.988 (180deg=0.988) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.1) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0.35 (180deg=0.305) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 1.33 (180deg=1.3) USER MOD Single : A 81 THR OG1 : rot 54:sc= 0.0501 USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 2.06 (180deg=1.67) USER MOD Single : A 84 MET CE :methyl -170:sc= 0 (180deg=-0.13) USER MOD Single : A 85 ASN : amide:sc= -0.243 K(o=-0.24,f=-0.79) USER MOD Single : A 91 THR OG1 : rot -71:sc= 0.716 USER MOD Single : A 94 THR OG1 : rot -60:sc= 1.23 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 97 MET CE :methyl 171:sc= 0 (180deg=-0.104) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -4.850 -10.373 -27.833 1.00 0.00 N ATOM 384 CA LEU A 25 -4.504 -9.908 -26.464 1.00 0.00 C ATOM 385 C LEU A 25 -5.106 -10.948 -25.482 1.00 0.00 C ATOM 386 O LEU A 25 -6.311 -10.949 -25.203 1.00 0.00 O ATOM 387 CB LEU A 25 -5.117 -8.524 -26.127 1.00 0.00 C ATOM 388 CG LEU A 25 -4.735 -7.394 -27.116 1.00 0.00 C ATOM 389 CD1 LEU A 25 -5.519 -6.104 -26.806 1.00 0.00 C ATOM 390 CD2 LEU A 25 -3.221 -7.120 -27.158 1.00 0.00 C ATOM 0 HA LEU A 25 -3.421 -9.812 -26.389 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.203 -8.618 -26.104 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.800 -8.235 -25.125 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.014 -7.744 -28.110 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.233 -5.326 -27.514 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.588 -6.298 -26.892 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.291 -5.774 -25.792 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.016 -6.319 -27.868 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.877 -6.823 -26.167 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.696 -8.023 -27.469 1.00 0.00 H new ATOM 402 N THR A 26 -4.257 -11.868 -25.005 1.00 0.00 N ATOM 403 CA THR A 26 -4.721 -13.061 -24.233 1.00 0.00 C ATOM 404 C THR A 26 -4.566 -12.821 -22.692 1.00 0.00 C ATOM 405 O THR A 26 -4.511 -11.678 -22.223 1.00 0.00 O ATOM 406 CB THR A 26 -3.936 -14.284 -24.697 1.00 0.00 C ATOM 407 OG1 THR A 26 -2.532 -14.031 -24.667 1.00 0.00 O ATOM 408 CG2 THR A 26 -4.347 -14.595 -26.152 1.00 0.00 C ATOM 0 H THR A 26 -3.246 -11.822 -25.132 1.00 0.00 H new ATOM 0 HA THR A 26 -5.781 -13.233 -24.420 1.00 0.00 H new ATOM 0 HB THR A 26 -4.154 -15.120 -24.033 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.049 -14.829 -24.967 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.798 -15.467 -26.507 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.417 -14.799 -26.192 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.117 -13.739 -26.786 1.00 0.00 H new ATOM 416 N GLU A 27 -4.524 -13.896 -21.885 1.00 0.00 N ATOM 417 CA GLU A 27 -4.541 -13.804 -20.403 1.00 0.00 C ATOM 418 C GLU A 27 -3.283 -13.113 -19.771 1.00 0.00 C ATOM 419 O GLU A 27 -3.457 -12.145 -19.030 1.00 0.00 O ATOM 420 CB GLU A 27 -4.740 -15.188 -19.746 1.00 0.00 C ATOM 421 CG GLU A 27 -5.049 -15.118 -18.240 1.00 0.00 C ATOM 422 CD GLU A 27 -5.425 -16.510 -17.744 1.00 0.00 C ATOM 423 OE1 GLU A 27 -4.571 -17.428 -17.859 1.00 0.00 O ATOM 424 OE2 GLU A 27 -6.576 -16.674 -17.258 1.00 0.00 O ATOM 0 H GLU A 27 -4.477 -14.853 -22.234 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.394 -13.160 -20.191 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.555 -15.707 -20.251 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.840 -15.785 -19.896 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.182 -14.746 -17.695 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.865 -14.420 -18.055 1.00 0.00 H new ATOM 431 N GLU A 28 -2.050 -13.541 -20.108 1.00 0.00 N ATOM 432 CA GLU A 28 -0.781 -12.834 -19.749 1.00 0.00 C ATOM 433 C GLU A 28 -0.786 -11.286 -20.026 1.00 0.00 C ATOM 434 O GLU A 28 -0.587 -10.496 -19.102 1.00 0.00 O ATOM 435 CB GLU A 28 0.375 -13.464 -20.565 1.00 0.00 C ATOM 436 CG GLU A 28 1.789 -12.961 -20.233 1.00 0.00 C ATOM 437 CD GLU A 28 2.763 -13.655 -21.182 1.00 0.00 C ATOM 438 OE1 GLU A 28 2.628 -13.435 -22.417 1.00 0.00 O ATOM 439 OE2 GLU A 28 3.631 -14.427 -20.697 1.00 0.00 O ATOM 0 H GLU A 28 -1.894 -14.395 -20.643 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.661 -12.954 -18.672 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.351 -14.544 -20.417 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.186 -13.283 -21.623 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.847 -11.879 -20.349 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.041 -13.184 -19.196 1.00 0.00 H new ATOM 446 N GLN A 29 -1.096 -10.865 -21.270 1.00 0.00 N ATOM 447 CA GLN A 29 -1.238 -9.423 -21.631 1.00 0.00 C ATOM 448 C GLN A 29 -2.375 -8.678 -20.849 1.00 0.00 C ATOM 449 O GLN A 29 -2.085 -7.739 -20.104 1.00 0.00 O ATOM 450 CB GLN A 29 -1.452 -9.228 -23.149 1.00 0.00 C ATOM 451 CG GLN A 29 -0.277 -9.782 -23.977 1.00 0.00 C ATOM 452 CD GLN A 29 -0.526 -9.488 -25.459 1.00 0.00 C ATOM 453 OE1 GLN A 29 -0.523 -8.321 -25.867 1.00 0.00 O ATOM 454 NE2 GLN A 29 -0.761 -10.565 -26.266 1.00 0.00 N ATOM 0 H GLN A 29 -1.255 -11.501 -22.051 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.291 -8.974 -21.333 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.374 -9.725 -23.451 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.577 -8.167 -23.363 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.659 -9.325 -23.655 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.178 -10.856 -23.818 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.751 -11.507 -25.875 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.946 -10.427 -27.260 1.00 0.00 H new ATOM 463 N LYS A 30 -3.641 -9.123 -20.976 1.00 0.00 N ATOM 464 CA LYS A 30 -4.807 -8.585 -20.204 1.00 0.00 C ATOM 465 C LYS A 30 -4.636 -8.497 -18.645 1.00 0.00 C ATOM 466 O LYS A 30 -4.831 -7.417 -18.069 1.00 0.00 O ATOM 467 CB LYS A 30 -6.065 -9.447 -20.481 1.00 0.00 C ATOM 468 CG LYS A 30 -7.376 -8.927 -19.870 1.00 0.00 C ATOM 469 CD LYS A 30 -8.558 -9.875 -20.127 1.00 0.00 C ATOM 470 CE LYS A 30 -9.848 -9.415 -19.435 1.00 0.00 C ATOM 471 NZ LYS A 30 -10.947 -10.388 -19.645 1.00 0.00 N ATOM 0 H LYS A 30 -3.898 -9.872 -21.619 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.897 -7.559 -20.561 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.196 -9.530 -21.560 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.884 -10.453 -20.104 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.246 -8.795 -18.796 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.604 -7.946 -20.286 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.733 -9.948 -21.200 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.299 -10.874 -19.777 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.667 -9.292 -18.367 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.143 -8.440 -19.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.806 -10.050 -19.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.134 -10.486 -20.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.673 -11.312 -19.253 1.00 0.00 H new ATOM 485 N GLN A 31 -4.283 -9.612 -17.973 1.00 0.00 N ATOM 486 CA GLN A 31 -4.098 -9.635 -16.496 1.00 0.00 C ATOM 487 C GLN A 31 -2.883 -8.790 -15.994 1.00 0.00 C ATOM 488 O GLN A 31 -3.090 -7.986 -15.085 1.00 0.00 O ATOM 489 CB GLN A 31 -4.019 -11.060 -15.885 1.00 0.00 C ATOM 490 CG GLN A 31 -5.221 -11.396 -14.979 1.00 0.00 C ATOM 491 CD GLN A 31 -5.275 -10.431 -13.788 1.00 0.00 C ATOM 492 OE1 GLN A 31 -6.153 -9.560 -13.733 1.00 0.00 O ATOM 493 NE2 GLN A 31 -4.310 -10.595 -12.835 1.00 0.00 N ATOM 0 H GLN A 31 -4.119 -10.512 -18.424 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.013 -9.165 -16.136 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.963 -11.792 -16.691 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.099 -11.151 -15.307 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.146 -11.330 -15.551 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.140 -12.422 -14.621 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.613 -11.332 -12.937 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.287 -9.980 -12.022 1.00 0.00 H new ATOM 502 N GLU A 32 -1.662 -8.906 -16.564 1.00 0.00 N ATOM 503 CA GLU A 32 -0.495 -8.062 -16.141 1.00 0.00 C ATOM 504 C GLU A 32 -0.661 -6.523 -16.367 1.00 0.00 C ATOM 505 O GLU A 32 -0.222 -5.761 -15.499 1.00 0.00 O ATOM 506 CB GLU A 32 0.850 -8.569 -16.689 1.00 0.00 C ATOM 507 CG GLU A 32 1.131 -9.995 -16.177 1.00 0.00 C ATOM 508 CD GLU A 32 2.557 -10.416 -16.510 1.00 0.00 C ATOM 509 OE1 GLU A 32 3.499 -9.714 -16.057 1.00 0.00 O ATOM 510 OE2 GLU A 32 2.720 -11.454 -17.202 1.00 0.00 O ATOM 0 H GLU A 32 -1.449 -9.566 -17.312 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.482 -8.189 -15.059 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.832 -8.563 -17.779 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.652 -7.899 -16.380 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.977 -10.036 -15.099 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.426 -10.694 -16.627 1.00 0.00 H new ATOM 517 N ILE A 33 -1.306 -6.038 -17.452 1.00 0.00 N ATOM 518 CA ILE A 33 -1.608 -4.579 -17.599 1.00 0.00 C ATOM 519 C ILE A 33 -2.688 -4.090 -16.556 1.00 0.00 C ATOM 520 O ILE A 33 -2.421 -3.088 -15.873 1.00 0.00 O ATOM 521 CB ILE A 33 -2.063 -4.294 -19.031 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.961 -4.682 -20.056 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.499 -2.827 -19.223 1.00 0.00 C ATOM 524 CD1 ILE A 33 0.349 -3.896 -19.943 1.00 0.00 C ATOM 0 H ILE A 33 -1.626 -6.615 -18.230 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.696 -4.019 -17.391 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.938 -4.917 -19.215 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.739 -5.743 -19.941 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.360 -4.547 -21.061 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.813 -2.673 -20.255 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.330 -2.604 -18.553 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.662 -2.166 -18.996 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.049 -4.244 -20.703 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.150 -2.835 -20.092 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.781 -4.049 -18.954 1.00 0.00 H new ATOM 536 N ARG A 34 -3.847 -4.792 -16.360 1.00 0.00 N ATOM 537 CA ARG A 34 -4.773 -4.473 -15.232 1.00 0.00 C ATOM 538 C ARG A 34 -4.080 -4.555 -13.838 1.00 0.00 C ATOM 539 O ARG A 34 -4.087 -3.545 -13.138 1.00 0.00 O ATOM 540 CB ARG A 34 -6.003 -5.416 -15.201 1.00 0.00 C ATOM 541 CG ARG A 34 -7.227 -4.844 -14.454 1.00 0.00 C ATOM 542 CD ARG A 34 -7.793 -5.730 -13.325 1.00 0.00 C ATOM 543 NE ARG A 34 -7.124 -5.408 -12.016 1.00 0.00 N ATOM 544 CZ ARG A 34 -6.309 -6.255 -11.315 1.00 0.00 C ATOM 545 NH1 ARG A 34 -5.943 -7.475 -11.796 1.00 0.00 N ATOM 546 NH2 ARG A 34 -5.847 -5.848 -10.095 1.00 0.00 N ATOM 0 H ARG A 34 -4.154 -5.563 -16.953 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.091 -3.447 -15.419 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.294 -5.648 -16.226 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.713 -6.356 -14.732 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.953 -3.878 -14.030 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.020 -4.660 -15.179 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.868 -5.575 -13.238 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.641 -6.781 -13.569 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.292 -4.483 -11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.278 -7.785 -12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.334 -8.079 -11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.111 -4.933 -9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.238 -6.459 -9.551 1.00 0.00 H new ATOM 560 N GLU A 35 -3.431 -5.681 -13.476 1.00 0.00 N ATOM 561 CA GLU A 35 -2.727 -5.831 -12.175 1.00 0.00 C ATOM 562 C GLU A 35 -1.617 -4.778 -11.882 1.00 0.00 C ATOM 563 O GLU A 35 -1.597 -4.287 -10.757 1.00 0.00 O ATOM 564 CB GLU A 35 -2.093 -7.241 -12.039 1.00 0.00 C ATOM 565 CG GLU A 35 -1.937 -7.736 -10.587 1.00 0.00 C ATOM 566 CD GLU A 35 -3.319 -8.019 -10.011 1.00 0.00 C ATOM 567 OE1 GLU A 35 -4.009 -8.925 -10.555 1.00 0.00 O ATOM 568 OE2 GLU A 35 -3.748 -7.299 -9.070 1.00 0.00 O ATOM 0 H GLU A 35 -3.377 -6.509 -14.069 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.518 -5.670 -11.443 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.706 -7.955 -12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.112 -7.231 -12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.325 -8.638 -10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.425 -6.985 -9.986 1.00 0.00 H new ATOM 575 N ALA A 36 -0.744 -4.386 -12.835 1.00 0.00 N ATOM 576 CA ALA A 36 0.270 -3.319 -12.596 1.00 0.00 C ATOM 577 C ALA A 36 -0.295 -1.871 -12.411 1.00 0.00 C ATOM 578 O ALA A 36 -0.011 -1.228 -11.385 1.00 0.00 O ATOM 579 CB ALA A 36 1.291 -3.250 -13.748 1.00 0.00 C ATOM 0 H ALA A 36 -0.715 -4.785 -13.773 1.00 0.00 H new ATOM 0 HA ALA A 36 0.722 -3.623 -11.652 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.017 -2.463 -13.544 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.807 -4.206 -13.834 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.772 -3.032 -14.682 1.00 0.00 H new ATOM 585 N PHE A 37 -1.100 -1.343 -13.367 1.00 0.00 N ATOM 586 CA PHE A 37 -1.692 0.022 -13.189 1.00 0.00 C ATOM 587 C PHE A 37 -2.685 0.104 -11.982 1.00 0.00 C ATOM 588 O PHE A 37 -2.579 1.059 -11.211 1.00 0.00 O ATOM 589 CB PHE A 37 -2.488 0.417 -14.459 1.00 0.00 C ATOM 590 CG PHE A 37 -2.655 1.909 -14.593 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.658 2.604 -13.891 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.821 2.624 -15.468 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.797 3.989 -14.034 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.990 3.999 -15.647 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.958 4.685 -14.909 1.00 0.00 C ATOM 0 H PHE A 37 -1.351 -1.812 -14.237 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.854 0.694 -13.003 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.975 0.031 -15.340 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.470 -0.054 -14.430 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.326 2.064 -13.237 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.042 2.106 -16.007 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.550 4.519 -13.470 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.373 4.532 -16.355 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.058 5.755 -15.015 1.00 0.00 H new ATOM 605 N ASP A 38 -3.578 -0.886 -11.774 1.00 0.00 N ATOM 606 CA ASP A 38 -4.398 -0.989 -10.530 1.00 0.00 C ATOM 607 C ASP A 38 -3.531 -1.194 -9.220 1.00 0.00 C ATOM 608 O ASP A 38 -3.913 -0.676 -8.170 1.00 0.00 O ATOM 609 CB ASP A 38 -5.332 -2.223 -10.693 1.00 0.00 C ATOM 610 CG ASP A 38 -6.485 -2.353 -9.698 1.00 0.00 C ATOM 611 OD1 ASP A 38 -6.766 -1.405 -8.928 1.00 0.00 O ATOM 612 OD2 ASP A 38 -7.123 -3.443 -9.737 1.00 0.00 O ATOM 0 H ASP A 38 -3.756 -1.631 -12.448 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.942 -0.053 -10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.752 -2.200 -11.698 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.721 -3.123 -10.624 1.00 0.00 H new ATOM 617 N LEU A 39 -2.342 -1.864 -9.242 1.00 0.00 N ATOM 618 CA LEU A 39 -1.380 -1.892 -8.100 1.00 0.00 C ATOM 619 C LEU A 39 -1.009 -0.470 -7.575 1.00 0.00 C ATOM 620 O LEU A 39 -1.105 -0.198 -6.375 1.00 0.00 O ATOM 621 CB LEU A 39 -0.072 -2.674 -8.399 1.00 0.00 C ATOM 622 CG LEU A 39 0.916 -2.841 -7.214 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.285 -3.556 -6.001 1.00 0.00 C ATOM 624 CD2 LEU A 39 2.194 -3.569 -7.676 1.00 0.00 C ATOM 0 H LEU A 39 -2.025 -2.399 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.926 -2.426 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.342 -3.666 -8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.450 -2.169 -9.211 1.00 0.00 H new ATOM 0 HG LEU A 39 1.178 -1.838 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.024 -3.643 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.568 -2.980 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.048 -4.551 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.876 -3.678 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.932 -4.555 -8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.679 -2.990 -8.462 1.00 0.00 H new ATOM 636 N PHE A 40 -0.538 0.399 -8.492 1.00 0.00 N ATOM 637 CA PHE A 40 -0.121 1.782 -8.144 1.00 0.00 C ATOM 638 C PHE A 40 -1.331 2.773 -8.016 1.00 0.00 C ATOM 639 O PHE A 40 -1.392 3.517 -7.032 1.00 0.00 O ATOM 640 CB PHE A 40 0.952 2.325 -9.101 1.00 0.00 C ATOM 641 CG PHE A 40 2.166 1.438 -8.954 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.992 1.558 -7.823 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.435 0.419 -9.882 1.00 0.00 C ATOM 644 CE1 PHE A 40 4.050 0.666 -7.614 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.484 -0.483 -9.670 1.00 0.00 C ATOM 646 CZ PHE A 40 4.291 -0.362 -8.533 1.00 0.00 C ATOM 0 H PHE A 40 -0.435 0.172 -9.481 1.00 0.00 H new ATOM 0 HA PHE A 40 0.330 1.713 -7.154 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.591 2.317 -10.129 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.198 3.359 -8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.808 2.346 -7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.826 0.330 -10.769 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.681 0.771 -6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.671 -1.272 -10.383 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.098 -1.060 -8.365 1.00 0.00 H new ATOM 656 N ASP A 41 -2.310 2.752 -8.941 1.00 0.00 N ATOM 657 CA ASP A 41 -3.595 3.487 -8.801 1.00 0.00 C ATOM 658 C ASP A 41 -4.757 2.517 -8.387 1.00 0.00 C ATOM 659 O ASP A 41 -5.542 2.060 -9.223 1.00 0.00 O ATOM 660 CB ASP A 41 -3.969 4.200 -10.135 1.00 0.00 C ATOM 661 CG ASP A 41 -5.129 5.193 -10.022 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.670 5.420 -8.905 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.491 5.775 -11.080 1.00 0.00 O ATOM 0 H ASP A 41 -2.238 2.225 -9.811 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.462 4.234 -8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.091 4.727 -10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.226 3.444 -10.877 1.00 0.00 H new ATOM 668 N ALA A 42 -4.871 2.219 -7.074 1.00 0.00 N ATOM 669 CA ALA A 42 -5.898 1.257 -6.555 1.00 0.00 C ATOM 670 C ALA A 42 -7.325 1.843 -6.284 1.00 0.00 C ATOM 671 O ALA A 42 -8.315 1.121 -6.422 1.00 0.00 O ATOM 672 CB ALA A 42 -5.428 0.615 -5.236 1.00 0.00 C ATOM 0 H ALA A 42 -4.275 2.621 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.992 0.541 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.188 -0.079 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.496 0.076 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.267 1.393 -4.490 1.00 0.00 H new ATOM 678 N ASP A 43 -7.445 3.128 -5.897 1.00 0.00 N ATOM 679 CA ASP A 43 -8.751 3.846 -5.822 1.00 0.00 C ATOM 680 C ASP A 43 -9.446 4.109 -7.214 1.00 0.00 C ATOM 681 O ASP A 43 -10.671 3.991 -7.316 1.00 0.00 O ATOM 682 CB ASP A 43 -8.549 5.214 -5.111 1.00 0.00 C ATOM 683 CG ASP A 43 -9.874 5.860 -4.700 1.00 0.00 C ATOM 684 OD1 ASP A 43 -10.612 5.232 -3.895 1.00 0.00 O ATOM 685 OD2 ASP A 43 -10.151 6.995 -5.170 1.00 0.00 O ATOM 0 H ASP A 43 -6.648 3.704 -5.627 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.413 3.183 -5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.927 5.072 -4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.009 5.889 -5.775 1.00 0.00 H new ATOM 690 N GLY A 44 -8.682 4.453 -8.270 1.00 0.00 N ATOM 691 CA GLY A 44 -9.228 4.811 -9.605 1.00 0.00 C ATOM 692 C GLY A 44 -9.203 6.327 -9.880 1.00 0.00 C ATOM 693 O GLY A 44 -10.256 6.951 -10.027 1.00 0.00 O ATOM 0 H GLY A 44 -7.664 4.492 -8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.653 4.298 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.254 4.451 -9.680 1.00 0.00 H new ATOM 697 N THR A 45 -7.997 6.905 -9.961 1.00 0.00 N ATOM 698 CA THR A 45 -7.795 8.382 -10.005 1.00 0.00 C ATOM 699 C THR A 45 -7.403 8.889 -11.428 1.00 0.00 C ATOM 700 O THR A 45 -8.080 9.777 -11.952 1.00 0.00 O ATOM 701 CB THR A 45 -6.792 8.851 -8.954 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.523 8.211 -9.064 1.00 0.00 O ATOM 703 CG2 THR A 45 -7.371 8.587 -7.547 1.00 0.00 C ATOM 0 H THR A 45 -7.127 6.373 -9.999 1.00 0.00 H new ATOM 0 HA THR A 45 -8.759 8.829 -9.763 1.00 0.00 H new ATOM 0 HB THR A 45 -6.629 9.916 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.618 7.258 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.659 8.920 -6.792 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.306 9.134 -7.430 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.557 7.520 -7.424 1.00 0.00 H new ATOM 711 N GLY A 46 -6.313 8.382 -12.041 1.00 0.00 N ATOM 712 CA GLY A 46 -5.835 8.914 -13.347 1.00 0.00 C ATOM 713 C GLY A 46 -4.419 8.483 -13.750 1.00 0.00 C ATOM 714 O GLY A 46 -4.269 7.817 -14.778 1.00 0.00 O ATOM 0 H GLY A 46 -5.751 7.618 -11.665 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.529 8.598 -14.126 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.870 10.003 -13.312 1.00 0.00 H new ATOM 718 N THR A 47 -3.391 8.938 -13.007 1.00 0.00 N ATOM 719 CA THR A 47 -1.966 8.768 -13.423 1.00 0.00 C ATOM 720 C THR A 47 -1.110 7.949 -12.413 1.00 0.00 C ATOM 721 O THR A 47 -1.188 8.089 -11.191 1.00 0.00 O ATOM 722 CB THR A 47 -1.231 10.071 -13.743 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.189 10.964 -12.633 1.00 0.00 O ATOM 724 CG2 THR A 47 -1.931 10.762 -14.932 1.00 0.00 C ATOM 0 H THR A 47 -3.509 9.425 -12.119 1.00 0.00 H new ATOM 0 HA THR A 47 -2.065 8.201 -14.349 1.00 0.00 H new ATOM 0 HB THR A 47 -0.200 9.817 -13.991 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.291 10.956 -12.241 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.414 11.692 -15.168 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.908 10.104 -15.800 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.966 10.979 -14.669 1.00 0.00 H new ATOM 732 N ILE A 48 -0.249 7.116 -13.013 1.00 0.00 N ATOM 733 CA ILE A 48 0.841 6.378 -12.322 1.00 0.00 C ATOM 734 C ILE A 48 2.103 7.108 -12.890 1.00 0.00 C ATOM 735 O ILE A 48 2.319 7.184 -14.109 1.00 0.00 O ATOM 736 CB ILE A 48 0.888 4.878 -12.669 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.112 4.178 -12.041 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.842 4.623 -14.192 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.300 2.717 -12.467 1.00 0.00 C ATOM 0 H ILE A 48 -0.284 6.926 -14.014 1.00 0.00 H new ATOM 0 HA ILE A 48 0.734 6.389 -11.237 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.012 4.442 -12.235 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.009 4.738 -12.305 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.019 4.217 -10.956 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.878 3.550 -14.383 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.081 5.034 -14.602 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.696 5.105 -14.668 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.183 2.306 -11.978 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.423 2.138 -12.178 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.428 2.667 -13.548 1.00 0.00 H new ATOM 751 N ASP A 49 2.934 7.652 -11.998 1.00 0.00 N ATOM 752 CA ASP A 49 4.051 8.568 -12.401 1.00 0.00 C ATOM 753 C ASP A 49 5.412 7.785 -12.451 1.00 0.00 C ATOM 754 O ASP A 49 5.521 6.629 -12.033 1.00 0.00 O ATOM 755 CB ASP A 49 4.151 9.829 -11.504 1.00 0.00 C ATOM 756 CG ASP A 49 3.058 10.838 -11.891 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.849 10.480 -11.874 1.00 0.00 O ATOM 758 OD2 ASP A 49 3.432 11.994 -12.226 1.00 0.00 O ATOM 0 H ASP A 49 2.871 7.487 -10.993 1.00 0.00 H new ATOM 0 HA ASP A 49 3.822 8.932 -13.403 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.044 9.549 -10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.134 10.286 -11.613 1.00 0.00 H new ATOM 763 N VAL A 50 6.460 8.382 -13.061 1.00 0.00 N ATOM 764 CA VAL A 50 7.757 7.671 -13.385 1.00 0.00 C ATOM 765 C VAL A 50 8.451 6.883 -12.221 1.00 0.00 C ATOM 766 O VAL A 50 9.024 5.829 -12.501 1.00 0.00 O ATOM 767 CB VAL A 50 8.778 8.561 -14.079 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.293 8.786 -15.526 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.984 9.878 -13.299 1.00 0.00 C ATOM 0 H VAL A 50 6.451 9.361 -13.348 1.00 0.00 H new ATOM 0 HA VAL A 50 7.401 6.908 -14.077 1.00 0.00 H new ATOM 0 HB VAL A 50 9.758 8.085 -14.105 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.004 9.422 -16.053 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.216 7.826 -16.037 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.316 9.269 -15.511 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.718 10.496 -13.816 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.038 10.415 -13.236 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.342 9.654 -12.294 1.00 0.00 H new ATOM 779 N LYS A 51 8.397 7.331 -10.955 1.00 0.00 N ATOM 780 CA LYS A 51 8.841 6.520 -9.772 1.00 0.00 C ATOM 781 C LYS A 51 8.135 5.105 -9.673 1.00 0.00 C ATOM 782 O LYS A 51 8.780 4.051 -9.771 1.00 0.00 O ATOM 783 CB LYS A 51 8.537 7.273 -8.454 1.00 0.00 C ATOM 784 CG LYS A 51 9.113 8.699 -8.397 1.00 0.00 C ATOM 785 CD LYS A 51 8.628 9.481 -7.165 1.00 0.00 C ATOM 786 CE LYS A 51 9.068 10.952 -7.176 1.00 0.00 C ATOM 787 NZ LYS A 51 8.493 11.700 -6.033 1.00 0.00 N ATOM 0 H LYS A 51 8.049 8.257 -10.707 1.00 0.00 H new ATOM 0 HA LYS A 51 9.911 6.368 -9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.457 7.324 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.937 6.698 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.202 8.647 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.829 9.238 -9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.540 9.433 -7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.009 9.000 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.156 11.008 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.757 11.419 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.810 12.690 -6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.455 11.667 -6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.810 11.269 -5.141 1.00 0.00 H new ATOM 801 N GLU A 52 6.794 5.138 -9.558 1.00 0.00 N ATOM 802 CA GLU A 52 5.884 3.965 -9.659 1.00 0.00 C ATOM 803 C GLU A 52 6.007 3.153 -10.997 1.00 0.00 C ATOM 804 O GLU A 52 6.141 1.932 -10.927 1.00 0.00 O ATOM 805 CB GLU A 52 4.440 4.471 -9.539 1.00 0.00 C ATOM 806 CG GLU A 52 4.171 5.261 -8.246 1.00 0.00 C ATOM 807 CD GLU A 52 2.808 5.931 -8.371 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.664 6.788 -9.286 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.904 5.596 -7.565 1.00 0.00 O ATOM 0 H GLU A 52 6.290 6.008 -9.386 1.00 0.00 H new ATOM 0 HA GLU A 52 6.169 3.283 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.213 5.105 -10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.760 3.620 -9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.189 4.595 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.949 6.008 -8.089 1.00 0.00 H new ATOM 816 N LEU A 53 6.009 3.784 -12.198 1.00 0.00 N ATOM 817 CA LEU A 53 6.270 3.071 -13.486 1.00 0.00 C ATOM 818 C LEU A 53 7.659 2.340 -13.602 1.00 0.00 C ATOM 819 O LEU A 53 7.732 1.247 -14.167 1.00 0.00 O ATOM 820 CB LEU A 53 6.161 4.070 -14.666 1.00 0.00 C ATOM 821 CG LEU A 53 6.143 3.449 -16.084 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.965 2.476 -16.282 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.145 4.552 -17.159 1.00 0.00 C ATOM 0 H LEU A 53 5.834 4.783 -12.307 1.00 0.00 H new ATOM 0 HA LEU A 53 5.511 2.289 -13.517 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.251 4.656 -14.536 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.999 4.765 -14.606 1.00 0.00 H new ATOM 0 HG LEU A 53 7.054 2.860 -16.192 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.997 2.067 -17.292 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.039 1.663 -15.559 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.025 3.008 -16.135 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.132 4.095 -18.149 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.262 5.180 -17.038 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.042 5.162 -17.052 1.00 0.00 H new ATOM 835 N LYS A 54 8.750 2.897 -13.042 1.00 0.00 N ATOM 836 CA LYS A 54 10.067 2.206 -12.916 1.00 0.00 C ATOM 837 C LYS A 54 10.045 0.922 -12.029 1.00 0.00 C ATOM 838 O LYS A 54 10.475 -0.138 -12.497 1.00 0.00 O ATOM 839 CB LYS A 54 11.168 3.174 -12.431 1.00 0.00 C ATOM 840 CG LYS A 54 12.594 2.706 -12.762 1.00 0.00 C ATOM 841 CD LYS A 54 13.635 3.826 -12.606 1.00 0.00 C ATOM 842 CE LYS A 54 15.026 3.432 -13.128 1.00 0.00 C ATOM 843 NZ LYS A 54 15.971 4.573 -13.064 1.00 0.00 N ATOM 0 H LYS A 54 8.752 3.843 -12.660 1.00 0.00 H new ATOM 0 HA LYS A 54 10.299 1.868 -13.926 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.003 4.153 -12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.078 3.301 -11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.860 1.874 -12.110 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.621 2.330 -13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.290 4.711 -13.140 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.712 4.098 -11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.415 2.602 -12.539 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.944 3.082 -14.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.900 4.275 -13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.610 5.356 -13.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.066 4.890 -12.078 1.00 0.00 H new ATOM 857 N VAL A 55 9.535 0.986 -10.777 1.00 0.00 N ATOM 858 CA VAL A 55 9.278 -0.256 -9.960 1.00 0.00 C ATOM 859 C VAL A 55 8.217 -1.230 -10.601 1.00 0.00 C ATOM 860 O VAL A 55 8.341 -2.454 -10.459 1.00 0.00 O ATOM 861 CB VAL A 55 8.969 0.021 -8.494 1.00 0.00 C ATOM 862 CG1 VAL A 55 10.209 0.682 -7.853 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.723 0.907 -8.336 1.00 0.00 C ATOM 0 H VAL A 55 9.293 1.857 -10.305 1.00 0.00 H new ATOM 0 HA VAL A 55 10.233 -0.780 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 55 8.746 -0.918 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.008 0.889 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.063 0.009 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.432 1.615 -8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.534 1.083 -7.277 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.888 1.860 -8.839 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.862 0.407 -8.780 1.00 0.00 H new ATOM 873 N ALA A 56 7.226 -0.698 -11.345 1.00 0.00 N ATOM 874 CA ALA A 56 6.299 -1.517 -12.181 1.00 0.00 C ATOM 875 C ALA A 56 7.035 -2.364 -13.275 1.00 0.00 C ATOM 876 O ALA A 56 6.791 -3.568 -13.374 1.00 0.00 O ATOM 877 CB ALA A 56 5.225 -0.678 -12.902 1.00 0.00 C ATOM 0 H ALA A 56 7.039 0.304 -11.389 1.00 0.00 H new ATOM 0 HA ALA A 56 5.827 -2.179 -11.455 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.585 -1.335 -13.492 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.621 -0.149 -12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.708 0.044 -13.560 1.00 0.00 H new ATOM 883 N MET A 57 7.972 -1.756 -14.036 1.00 0.00 N ATOM 884 CA MET A 57 8.891 -2.500 -14.949 1.00 0.00 C ATOM 885 C MET A 57 9.903 -3.456 -14.220 1.00 0.00 C ATOM 886 O MET A 57 10.301 -4.447 -14.834 1.00 0.00 O ATOM 887 CB MET A 57 9.684 -1.529 -15.849 1.00 0.00 C ATOM 888 CG MET A 57 8.930 -1.077 -17.121 1.00 0.00 C ATOM 889 SD MET A 57 7.270 -0.367 -16.910 1.00 0.00 S ATOM 890 CE MET A 57 7.133 0.120 -18.650 1.00 0.00 C ATOM 0 H MET A 57 8.118 -0.747 -14.041 1.00 0.00 H new ATOM 0 HA MET A 57 8.232 -3.130 -15.546 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.949 -0.647 -15.266 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.617 -2.008 -16.145 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.548 -0.339 -17.633 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.845 -1.938 -17.784 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.100 0.388 -18.873 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.779 0.977 -18.840 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.437 -0.712 -19.286 1.00 0.00 H new ATOM 900 N ARG A 58 10.328 -3.217 -12.955 1.00 0.00 N ATOM 901 CA ARG A 58 11.105 -4.233 -12.170 1.00 0.00 C ATOM 902 C ARG A 58 10.283 -5.568 -11.965 1.00 0.00 C ATOM 903 O ARG A 58 10.816 -6.640 -12.258 1.00 0.00 O ATOM 904 CB ARG A 58 11.524 -3.762 -10.760 1.00 0.00 C ATOM 905 CG ARG A 58 12.473 -2.557 -10.753 1.00 0.00 C ATOM 906 CD ARG A 58 12.870 -2.170 -9.322 1.00 0.00 C ATOM 907 NE ARG A 58 13.719 -0.933 -9.356 1.00 0.00 N ATOM 908 CZ ARG A 58 14.148 -0.303 -8.218 1.00 0.00 C ATOM 909 NH1 ARG A 58 13.804 -0.776 -6.986 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.932 0.812 -8.322 1.00 0.00 N ATOM 0 H ARG A 58 10.154 -2.346 -12.454 1.00 0.00 H new ATOM 0 HA ARG A 58 11.997 -4.393 -12.775 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.628 -3.507 -10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.005 -4.591 -10.241 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.367 -2.792 -11.330 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.992 -1.709 -11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.978 -1.995 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.417 -2.987 -8.851 1.00 0.00 H new ATOM 0 HE ARG A 58 13.987 -0.547 -10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.220 -1.609 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.130 -0.297 -6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.193 1.168 -9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.256 1.288 -7.480 1.00 0.00 H new ATOM 924 N ALA A 59 9.004 -5.514 -11.505 1.00 0.00 N ATOM 925 CA ALA A 59 8.102 -6.705 -11.496 1.00 0.00 C ATOM 926 C ALA A 59 7.630 -7.255 -12.893 1.00 0.00 C ATOM 927 O ALA A 59 7.729 -8.461 -13.128 1.00 0.00 O ATOM 928 CB ALA A 59 6.819 -6.405 -10.697 1.00 0.00 C ATOM 0 H ALA A 59 8.574 -4.665 -11.137 1.00 0.00 H new ATOM 0 HA ALA A 59 8.734 -7.472 -11.048 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.174 -7.284 -10.701 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.081 -6.152 -9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.293 -5.567 -11.154 1.00 0.00 H new ATOM 934 N LEU A 60 7.111 -6.408 -13.806 1.00 0.00 N ATOM 935 CA LEU A 60 6.567 -6.839 -15.138 1.00 0.00 C ATOM 936 C LEU A 60 7.615 -7.203 -16.246 1.00 0.00 C ATOM 937 O LEU A 60 7.362 -8.071 -17.076 1.00 0.00 O ATOM 938 CB LEU A 60 5.644 -5.714 -15.698 1.00 0.00 C ATOM 939 CG LEU A 60 4.329 -6.156 -16.399 1.00 0.00 C ATOM 940 CD1 LEU A 60 3.401 -4.942 -16.618 1.00 0.00 C ATOM 941 CD2 LEU A 60 4.522 -6.917 -17.723 1.00 0.00 C ATOM 0 H LEU A 60 7.051 -5.401 -13.653 1.00 0.00 H new ATOM 0 HA LEU A 60 6.041 -7.769 -14.923 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.381 -5.052 -14.873 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.223 -5.124 -16.408 1.00 0.00 H new ATOM 0 HG LEU A 60 3.870 -6.871 -15.716 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.485 -5.269 -17.110 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.156 -4.493 -15.655 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.906 -4.206 -17.244 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.549 -7.183 -18.135 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.056 -6.284 -18.432 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.098 -7.824 -17.541 1.00 0.00 H new ATOM 953 N GLY A 61 8.759 -6.502 -16.261 1.00 0.00 N ATOM 954 CA GLY A 61 9.796 -6.523 -17.332 1.00 0.00 C ATOM 955 C GLY A 61 10.182 -7.848 -18.016 1.00 0.00 C ATOM 956 O GLY A 61 10.329 -7.839 -19.239 1.00 0.00 O ATOM 0 H GLY A 61 9.008 -5.873 -15.497 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.465 -5.841 -18.115 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.707 -6.102 -16.907 1.00 0.00 H new ATOM 960 N PHE A 62 10.363 -8.954 -17.264 1.00 0.00 N ATOM 961 CA PHE A 62 10.638 -10.312 -17.826 1.00 0.00 C ATOM 962 C PHE A 62 12.144 -10.389 -18.186 1.00 0.00 C ATOM 963 O PHE A 62 12.635 -9.547 -18.951 1.00 0.00 O ATOM 964 CB PHE A 62 9.848 -10.799 -19.077 1.00 0.00 C ATOM 965 CG PHE A 62 8.355 -10.652 -18.944 1.00 0.00 C ATOM 966 CD1 PHE A 62 7.637 -11.335 -17.945 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.648 -9.862 -19.870 1.00 0.00 C ATOM 968 CE1 PHE A 62 6.242 -11.223 -17.874 1.00 0.00 C ATOM 969 CE2 PHE A 62 6.255 -9.752 -19.801 1.00 0.00 C ATOM 970 CZ PHE A 62 5.552 -10.437 -18.805 1.00 0.00 C ATOM 0 H PHE A 62 10.324 -8.940 -16.245 1.00 0.00 H new ATOM 0 HA PHE A 62 10.299 -10.973 -17.028 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.183 -10.238 -19.949 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.086 -11.847 -19.261 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.164 -11.949 -17.229 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.187 -9.335 -20.643 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.698 -11.744 -17.100 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.724 -9.140 -20.515 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.476 -10.360 -18.754 1.00 0.00 H new ATOM 980 N GLU A 63 12.860 -11.429 -17.728 1.00 0.00 N ATOM 981 CA GLU A 63 14.366 -11.416 -17.863 1.00 0.00 C ATOM 982 C GLU A 63 15.014 -11.193 -19.269 1.00 0.00 C ATOM 983 O GLU A 63 16.092 -10.581 -19.230 1.00 0.00 O ATOM 984 CB GLU A 63 15.031 -12.653 -17.213 1.00 0.00 C ATOM 985 CG GLU A 63 14.778 -12.766 -15.696 1.00 0.00 C ATOM 986 CD GLU A 63 15.286 -11.508 -14.998 1.00 0.00 C ATOM 987 OE1 GLU A 63 16.484 -11.159 -15.179 1.00 0.00 O ATOM 988 OE2 GLU A 63 14.475 -10.831 -14.310 1.00 0.00 O ATOM 0 H GLU A 63 12.468 -12.258 -17.281 1.00 0.00 H new ATOM 0 HA GLU A 63 14.577 -10.493 -17.323 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.660 -13.553 -17.703 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.106 -12.613 -17.391 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.713 -12.896 -15.503 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.284 -13.645 -15.297 1.00 0.00 H new ATOM 995 N PRO A 64 14.514 -11.537 -20.485 1.00 0.00 N ATOM 996 CA PRO A 64 15.114 -11.049 -21.761 1.00 0.00 C ATOM 997 C PRO A 64 15.630 -9.548 -21.824 1.00 0.00 C ATOM 998 O PRO A 64 16.745 -9.300 -22.291 1.00 0.00 O ATOM 999 CB PRO A 64 14.038 -11.361 -22.800 1.00 0.00 C ATOM 1000 CG PRO A 64 13.388 -12.643 -22.258 1.00 0.00 C ATOM 1001 CD PRO A 64 13.391 -12.437 -20.736 1.00 0.00 C ATOM 0 HA PRO A 64 16.066 -11.553 -21.926 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.316 -10.549 -22.888 1.00 0.00 H new ATOM 0 HB3 PRO A 64 14.467 -11.515 -23.790 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.376 -12.773 -22.643 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.953 -13.530 -22.543 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.452 -12.003 -20.393 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.516 -13.383 -20.209 1.00 0.00 H new ATOM 1009 N LYS A 65 14.812 -8.578 -21.340 1.00 0.00 N ATOM 1010 CA LYS A 65 15.185 -7.148 -21.114 1.00 0.00 C ATOM 1011 C LYS A 65 15.720 -6.406 -22.383 1.00 0.00 C ATOM 1012 O LYS A 65 14.914 -6.027 -23.236 1.00 0.00 O ATOM 1013 CB LYS A 65 16.088 -6.961 -19.867 1.00 0.00 C ATOM 1014 CG LYS A 65 15.310 -7.277 -18.575 1.00 0.00 C ATOM 1015 CD LYS A 65 16.173 -7.580 -17.340 1.00 0.00 C ATOM 1016 CE LYS A 65 15.300 -7.849 -16.102 1.00 0.00 C ATOM 1017 NZ LYS A 65 16.065 -8.442 -14.983 1.00 0.00 N ATOM 0 H LYS A 65 13.843 -8.771 -21.087 1.00 0.00 H new ATOM 0 HA LYS A 65 14.244 -6.644 -20.893 1.00 0.00 H new ATOM 0 HB2 LYS A 65 16.958 -7.613 -19.942 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.459 -5.937 -19.832 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.663 -6.431 -18.345 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.662 -8.133 -18.762 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.804 -8.446 -17.538 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.838 -6.739 -17.143 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.847 -6.914 -15.772 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.485 -8.519 -16.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.430 -8.603 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.477 -9.348 -15.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.827 -7.793 -14.701 1.00 0.00 H new ATOM 1031 N LYS A 66 17.044 -6.145 -22.493 1.00 0.00 N ATOM 1032 CA LYS A 66 17.660 -5.264 -23.537 1.00 0.00 C ATOM 1033 C LYS A 66 17.263 -3.751 -23.371 1.00 0.00 C ATOM 1034 O LYS A 66 18.132 -2.944 -23.031 1.00 0.00 O ATOM 1035 CB LYS A 66 17.425 -5.747 -24.993 1.00 0.00 C ATOM 1036 CG LYS A 66 18.314 -5.056 -26.042 1.00 0.00 C ATOM 1037 CD LYS A 66 18.029 -5.497 -27.490 1.00 0.00 C ATOM 1038 CE LYS A 66 18.373 -6.969 -27.772 1.00 0.00 C ATOM 1039 NZ LYS A 66 18.113 -7.324 -29.188 1.00 0.00 N ATOM 0 H LYS A 66 17.732 -6.542 -21.854 1.00 0.00 H new ATOM 0 HA LYS A 66 18.732 -5.347 -23.358 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.598 -6.822 -25.039 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.380 -5.581 -25.254 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.176 -3.977 -25.967 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.359 -5.260 -25.809 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.974 -5.332 -27.709 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.598 -4.864 -28.171 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.422 -7.151 -27.536 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.784 -7.613 -27.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.355 -8.323 -29.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.107 -7.173 -29.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.694 -6.725 -29.808 1.00 0.00 H new ATOM 1053 N GLU A 67 15.992 -3.371 -23.610 1.00 0.00 N ATOM 1054 CA GLU A 67 15.488 -1.991 -23.355 1.00 0.00 C ATOM 1055 C GLU A 67 14.047 -2.044 -22.694 1.00 0.00 C ATOM 1056 O GLU A 67 13.840 -2.628 -21.628 1.00 0.00 O ATOM 1057 CB GLU A 67 15.444 -1.106 -24.631 1.00 0.00 C ATOM 1058 CG GLU A 67 16.817 -0.912 -25.302 1.00 0.00 C ATOM 1059 CD GLU A 67 16.665 0.032 -26.483 1.00 0.00 C ATOM 1060 OE1 GLU A 67 16.337 1.232 -26.253 1.00 0.00 O ATOM 1061 OE2 GLU A 67 16.842 -0.414 -27.646 1.00 0.00 O ATOM 0 H GLU A 67 15.283 -4.002 -23.983 1.00 0.00 H new ATOM 0 HA GLU A 67 16.199 -1.529 -22.671 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.759 -1.556 -25.350 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.036 -0.129 -24.370 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.531 -0.506 -24.586 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.211 -1.872 -25.636 1.00 0.00 H new ATOM 1068 N GLU A 68 13.067 -1.411 -23.361 1.00 0.00 N ATOM 1069 CA GLU A 68 11.671 -1.114 -22.937 1.00 0.00 C ATOM 1070 C GLU A 68 11.632 0.102 -21.969 1.00 0.00 C ATOM 1071 O GLU A 68 10.998 1.114 -22.272 1.00 0.00 O ATOM 1072 CB GLU A 68 10.890 -2.289 -22.288 1.00 0.00 C ATOM 1073 CG GLU A 68 9.403 -1.982 -22.028 1.00 0.00 C ATOM 1074 CD GLU A 68 8.783 -3.097 -21.191 1.00 0.00 C ATOM 1075 OE1 GLU A 68 9.235 -3.271 -20.027 1.00 0.00 O ATOM 1076 OE2 GLU A 68 7.851 -3.774 -21.697 1.00 0.00 O ATOM 0 H GLU A 68 13.240 -1.057 -24.302 1.00 0.00 H new ATOM 0 HA GLU A 68 11.162 -0.898 -23.876 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.963 -3.162 -22.936 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.367 -2.552 -21.344 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.304 -1.028 -21.510 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.871 -1.887 -22.975 1.00 0.00 H new ATOM 1083 N ILE A 69 12.308 0.016 -20.819 1.00 0.00 N ATOM 1084 CA ILE A 69 12.200 1.066 -19.746 1.00 0.00 C ATOM 1085 C ILE A 69 12.976 2.398 -20.086 1.00 0.00 C ATOM 1086 O ILE A 69 12.533 3.477 -19.682 1.00 0.00 O ATOM 1087 CB ILE A 69 12.638 0.490 -18.384 1.00 0.00 C ATOM 1088 CG1 ILE A 69 14.133 0.642 -17.990 1.00 0.00 C ATOM 1089 CG2 ILE A 69 12.275 -1.015 -18.360 1.00 0.00 C ATOM 1090 CD1 ILE A 69 14.467 1.914 -17.198 1.00 0.00 C ATOM 0 H ILE A 69 12.936 -0.754 -20.588 1.00 0.00 H new ATOM 0 HA ILE A 69 11.149 1.348 -19.690 1.00 0.00 H new ATOM 0 HB ILE A 69 12.105 1.091 -17.647 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.428 -0.225 -17.398 1.00 0.00 H new ATOM 0 HG13 ILE A 69 14.736 0.628 -18.898 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.575 -1.447 -17.405 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.199 -1.132 -18.489 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.795 -1.528 -19.169 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.533 1.931 -16.969 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.210 2.791 -17.792 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.896 1.925 -16.269 1.00 0.00 H new ATOM 1102 N LYS A 70 14.098 2.346 -20.827 1.00 0.00 N ATOM 1103 CA LYS A 70 14.786 3.544 -21.388 1.00 0.00 C ATOM 1104 C LYS A 70 13.917 4.248 -22.491 1.00 0.00 C ATOM 1105 O LYS A 70 13.807 5.478 -22.504 1.00 0.00 O ATOM 1106 CB LYS A 70 16.123 3.118 -22.045 1.00 0.00 C ATOM 1107 CG LYS A 70 16.983 4.263 -22.614 1.00 0.00 C ATOM 1108 CD LYS A 70 17.450 3.998 -24.058 1.00 0.00 C ATOM 1109 CE LYS A 70 18.476 2.860 -24.183 1.00 0.00 C ATOM 1110 NZ LYS A 70 18.693 2.500 -25.602 1.00 0.00 N ATOM 0 H LYS A 70 14.563 1.469 -21.060 1.00 0.00 H new ATOM 0 HA LYS A 70 14.953 4.237 -20.563 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.714 2.577 -21.306 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.904 2.418 -22.851 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.410 5.190 -22.587 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.855 4.408 -21.976 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.582 3.760 -24.672 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.885 4.912 -24.462 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.420 3.165 -23.732 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.127 1.987 -23.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.364 1.707 -25.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.788 2.220 -26.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.080 3.319 -26.113 1.00 0.00 H new ATOM 1124 N LYS A 71 13.273 3.452 -23.375 1.00 0.00 N ATOM 1125 CA LYS A 71 12.249 3.949 -24.328 1.00 0.00 C ATOM 1126 C LYS A 71 11.003 4.558 -23.608 1.00 0.00 C ATOM 1127 O LYS A 71 10.665 5.686 -23.952 1.00 0.00 O ATOM 1128 CB LYS A 71 11.724 2.849 -25.279 1.00 0.00 C ATOM 1129 CG LYS A 71 12.827 2.107 -26.050 1.00 0.00 C ATOM 1130 CD LYS A 71 12.255 1.222 -27.170 1.00 0.00 C ATOM 1131 CE LYS A 71 13.277 0.301 -27.856 1.00 0.00 C ATOM 1132 NZ LYS A 71 14.444 1.047 -28.375 1.00 0.00 N ATOM 0 H LYS A 71 13.446 2.450 -23.449 1.00 0.00 H new ATOM 0 HA LYS A 71 12.772 4.717 -24.898 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.151 2.125 -24.699 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.036 3.300 -25.994 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.519 2.832 -26.479 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.400 1.490 -25.358 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.456 0.608 -26.755 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.803 1.865 -27.925 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.617 -0.453 -27.146 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.793 -0.228 -28.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.072 0.396 -28.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.119 1.795 -29.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.963 1.476 -27.582 1.00 0.00 H new ATOM 1146 N MET A 72 10.349 3.910 -22.609 1.00 0.00 N ATOM 1147 CA MET A 72 9.173 4.517 -21.901 1.00 0.00 C ATOM 1148 C MET A 72 9.503 5.873 -21.161 1.00 0.00 C ATOM 1149 O MET A 72 8.730 6.823 -21.329 1.00 0.00 O ATOM 1150 CB MET A 72 8.494 3.572 -20.876 1.00 0.00 C ATOM 1151 CG MET A 72 7.336 2.726 -21.450 1.00 0.00 C ATOM 1152 SD MET A 72 7.801 1.348 -22.544 1.00 0.00 S ATOM 1153 CE MET A 72 7.587 2.171 -24.147 1.00 0.00 C ATOM 0 H MET A 72 10.605 2.981 -22.274 1.00 0.00 H new ATOM 0 HA MET A 72 8.482 4.711 -22.721 1.00 0.00 H new ATOM 0 HB2 MET A 72 9.248 2.901 -20.466 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.114 4.169 -20.047 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.764 2.321 -20.616 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.670 3.389 -22.001 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.690 1.439 -24.948 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.597 2.624 -24.194 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.346 2.945 -24.263 1.00 0.00 H new ATOM 1163 N ILE A 73 10.627 5.999 -20.399 1.00 0.00 N ATOM 1164 CA ILE A 73 11.022 7.298 -19.749 1.00 0.00 C ATOM 1165 C ILE A 73 11.344 8.433 -20.791 1.00 0.00 C ATOM 1166 O ILE A 73 10.810 9.534 -20.645 1.00 0.00 O ATOM 1167 CB ILE A 73 12.188 7.125 -18.772 1.00 0.00 C ATOM 1168 CG1 ILE A 73 11.880 6.050 -17.692 1.00 0.00 C ATOM 1169 CG2 ILE A 73 12.566 8.475 -18.116 1.00 0.00 C ATOM 1170 CD1 ILE A 73 10.732 6.385 -16.734 1.00 0.00 C ATOM 0 H ILE A 73 11.273 5.231 -20.217 1.00 0.00 H new ATOM 0 HA ILE A 73 10.147 7.615 -19.182 1.00 0.00 H new ATOM 0 HB ILE A 73 13.045 6.773 -19.347 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.648 5.111 -18.195 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.783 5.882 -17.104 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.397 8.325 -17.426 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.860 9.185 -18.889 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.708 8.867 -17.570 1.00 0.00 H new ATOM 0 HD11 ILE A 73 10.602 5.569 -16.023 1.00 0.00 H new ATOM 0 HD12 ILE A 73 10.964 7.303 -16.195 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.812 6.521 -17.302 1.00 0.00 H new ATOM 1182 N SER A 74 12.161 8.190 -21.841 1.00 0.00 N ATOM 1183 CA SER A 74 12.417 9.200 -22.917 1.00 0.00 C ATOM 1184 C SER A 74 11.247 9.481 -23.932 1.00 0.00 C ATOM 1185 O SER A 74 11.247 10.521 -24.597 1.00 0.00 O ATOM 1186 CB SER A 74 13.643 8.798 -23.766 1.00 0.00 C ATOM 1187 OG SER A 74 14.779 8.589 -22.933 1.00 0.00 O ATOM 0 H SER A 74 12.657 7.309 -21.974 1.00 0.00 H new ATOM 0 HA SER A 74 12.563 10.114 -22.341 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.423 7.889 -24.326 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.859 9.578 -24.496 1.00 0.00 H new ATOM 0 HG SER A 74 15.547 8.333 -23.485 1.00 0.00 H new ATOM 1193 N GLU A 75 10.270 8.572 -24.066 1.00 0.00 N ATOM 1194 CA GLU A 75 9.061 8.742 -24.913 1.00 0.00 C ATOM 1195 C GLU A 75 7.949 9.616 -24.244 1.00 0.00 C ATOM 1196 O GLU A 75 7.619 10.660 -24.822 1.00 0.00 O ATOM 1197 CB GLU A 75 8.475 7.354 -25.269 1.00 0.00 C ATOM 1198 CG GLU A 75 7.311 7.321 -26.275 1.00 0.00 C ATOM 1199 CD GLU A 75 7.049 5.861 -26.636 1.00 0.00 C ATOM 1200 OE1 GLU A 75 6.775 5.054 -25.707 1.00 0.00 O ATOM 1201 OE2 GLU A 75 7.153 5.504 -27.842 1.00 0.00 O ATOM 0 H GLU A 75 10.291 7.675 -23.581 1.00 0.00 H new ATOM 0 HA GLU A 75 9.383 9.271 -25.810 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.282 6.738 -25.665 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.138 6.882 -24.346 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.419 7.774 -25.842 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.560 7.896 -27.167 1.00 0.00 H new ATOM 1208 N ILE A 76 7.382 9.245 -23.067 1.00 0.00 N ATOM 1209 CA ILE A 76 6.276 10.041 -22.419 1.00 0.00 C ATOM 1210 C ILE A 76 6.767 11.307 -21.608 1.00 0.00 C ATOM 1211 O ILE A 76 5.978 12.251 -21.469 1.00 0.00 O ATOM 1212 CB ILE A 76 5.373 9.154 -21.557 1.00 0.00 C ATOM 1213 CG1 ILE A 76 5.257 7.730 -22.171 1.00 0.00 C ATOM 1214 CG2 ILE A 76 3.982 9.820 -21.433 1.00 0.00 C ATOM 1215 CD1 ILE A 76 4.236 6.824 -21.474 1.00 0.00 C ATOM 0 H ILE A 76 7.659 8.414 -22.544 1.00 0.00 H new ATOM 0 HA ILE A 76 5.692 10.435 -23.251 1.00 0.00 H new ATOM 0 HB ILE A 76 5.808 9.048 -20.563 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.986 7.822 -23.223 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.235 7.251 -22.135 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.332 9.195 -20.821 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.088 10.799 -20.967 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.544 9.936 -22.425 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.218 5.851 -21.965 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.516 6.698 -20.428 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.247 7.278 -21.533 1.00 0.00 H new ATOM 1227 N ASP A 77 8.002 11.339 -21.051 1.00 0.00 N ATOM 1228 CA ASP A 77 8.596 12.582 -20.469 1.00 0.00 C ATOM 1229 C ASP A 77 9.401 13.322 -21.592 1.00 0.00 C ATOM 1230 O ASP A 77 10.265 12.739 -22.256 1.00 0.00 O ATOM 1231 CB ASP A 77 9.523 12.337 -19.248 1.00 0.00 C ATOM 1232 CG ASP A 77 9.798 13.626 -18.466 1.00 0.00 C ATOM 1233 OD1 ASP A 77 9.329 14.715 -18.897 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.465 13.531 -17.401 1.00 0.00 O ATOM 0 H ASP A 77 8.611 10.523 -20.989 1.00 0.00 H new ATOM 0 HA ASP A 77 7.766 13.183 -20.098 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.064 11.603 -18.586 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.467 11.912 -19.589 1.00 0.00 H new ATOM 1239 N LYS A 78 9.063 14.602 -21.830 1.00 0.00 N ATOM 1240 CA LYS A 78 9.604 15.393 -22.969 1.00 0.00 C ATOM 1241 C LYS A 78 10.395 16.671 -22.566 1.00 0.00 C ATOM 1242 O LYS A 78 11.565 16.794 -22.936 1.00 0.00 O ATOM 1243 CB LYS A 78 8.471 15.770 -23.964 1.00 0.00 C ATOM 1244 CG LYS A 78 8.889 15.788 -25.448 1.00 0.00 C ATOM 1245 CD LYS A 78 8.772 14.426 -26.169 1.00 0.00 C ATOM 1246 CE LYS A 78 9.788 13.366 -25.714 1.00 0.00 C ATOM 1247 NZ LYS A 78 9.585 12.062 -26.379 1.00 0.00 N ATOM 0 H LYS A 78 8.410 15.123 -21.245 1.00 0.00 H new ATOM 0 HA LYS A 78 10.329 14.733 -23.445 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.650 15.064 -23.842 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.087 16.755 -23.698 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.274 16.517 -25.976 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.921 16.132 -25.516 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.766 14.035 -26.015 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.891 14.587 -27.241 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.797 13.722 -25.922 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.712 13.235 -24.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.372 11.425 -26.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.691 11.642 -26.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.549 12.200 -27.409 1.00 0.00 H new ATOM 1261 N GLU A 79 9.764 17.614 -21.848 1.00 0.00 N ATOM 1262 CA GLU A 79 10.445 18.838 -21.332 1.00 0.00 C ATOM 1263 C GLU A 79 10.911 18.638 -19.848 1.00 0.00 C ATOM 1264 O GLU A 79 12.097 18.778 -19.542 1.00 0.00 O ATOM 1265 CB GLU A 79 9.482 20.052 -21.387 1.00 0.00 C ATOM 1266 CG GLU A 79 10.139 21.420 -21.122 1.00 0.00 C ATOM 1267 CD GLU A 79 11.114 21.751 -22.248 1.00 0.00 C ATOM 1268 OE1 GLU A 79 10.656 21.817 -23.420 1.00 0.00 O ATOM 1269 OE2 GLU A 79 12.324 21.935 -21.954 1.00 0.00 O ATOM 0 H GLU A 79 8.775 17.561 -21.604 1.00 0.00 H new ATOM 0 HA GLU A 79 11.315 19.022 -21.962 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.010 20.077 -22.369 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.688 19.900 -20.656 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.374 22.194 -21.051 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.664 21.403 -20.167 1.00 0.00 H new ATOM 1276 N GLY A 80 9.981 18.290 -18.938 1.00 0.00 N ATOM 1277 CA GLY A 80 10.327 17.863 -17.560 1.00 0.00 C ATOM 1278 C GLY A 80 9.122 17.472 -16.676 1.00 0.00 C ATOM 1279 O GLY A 80 8.998 17.974 -15.557 1.00 0.00 O ATOM 0 H GLY A 80 8.979 18.295 -19.129 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.006 17.013 -17.619 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.870 18.672 -17.071 1.00 0.00 H new ATOM 1283 N THR A 81 8.242 16.582 -17.171 1.00 0.00 N ATOM 1284 CA THR A 81 7.086 16.045 -16.386 1.00 0.00 C ATOM 1285 C THR A 81 6.807 14.563 -16.801 1.00 0.00 C ATOM 1286 O THR A 81 6.112 14.318 -17.796 1.00 0.00 O ATOM 1287 CB THR A 81 5.792 16.846 -16.565 1.00 0.00 C ATOM 1288 OG1 THR A 81 5.595 17.228 -17.923 1.00 0.00 O ATOM 1289 CG2 THR A 81 5.806 18.111 -15.681 1.00 0.00 C ATOM 0 H THR A 81 8.301 16.209 -18.119 1.00 0.00 H new ATOM 0 HA THR A 81 7.376 16.121 -15.338 1.00 0.00 H new ATOM 0 HB THR A 81 4.970 16.197 -16.262 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.646 16.435 -18.497 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.878 18.665 -15.824 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.899 17.822 -14.634 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.651 18.741 -15.960 1.00 0.00 H new ATOM 1297 N GLY A 82 7.243 13.572 -15.996 1.00 0.00 N ATOM 1298 CA GLY A 82 7.034 12.138 -16.318 1.00 0.00 C ATOM 1299 C GLY A 82 5.816 11.520 -15.615 1.00 0.00 C ATOM 1300 O GLY A 82 5.815 11.237 -14.416 1.00 0.00 O ATOM 0 H GLY A 82 7.741 13.734 -15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.914 12.030 -17.396 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.927 11.578 -16.039 1.00 0.00 H new ATOM 1304 N LYS A 83 4.813 11.270 -16.442 1.00 0.00 N ATOM 1305 CA LYS A 83 3.496 10.720 -16.020 1.00 0.00 C ATOM 1306 C LYS A 83 2.930 9.708 -17.053 1.00 0.00 C ATOM 1307 O LYS A 83 3.314 9.683 -18.229 1.00 0.00 O ATOM 1308 CB LYS A 83 2.424 11.815 -15.757 1.00 0.00 C ATOM 1309 CG LYS A 83 1.817 12.567 -16.970 1.00 0.00 C ATOM 1310 CD LYS A 83 2.754 13.512 -17.754 1.00 0.00 C ATOM 1311 CE LYS A 83 3.291 12.917 -19.070 1.00 0.00 C ATOM 1312 NZ LYS A 83 4.230 13.836 -19.756 1.00 0.00 N ATOM 0 H LYS A 83 4.873 11.440 -17.446 1.00 0.00 H new ATOM 0 HA LYS A 83 3.700 10.210 -15.078 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.603 11.350 -15.211 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.866 12.559 -15.094 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.425 11.825 -17.666 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.968 13.151 -16.615 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.218 14.435 -17.977 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.598 13.779 -17.118 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.795 11.974 -18.861 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.456 12.692 -19.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.768 13.310 -20.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.695 14.600 -20.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.887 14.244 -19.061 1.00 0.00 H new ATOM 1326 N MET A 84 1.988 8.872 -16.602 1.00 0.00 N ATOM 1327 CA MET A 84 1.309 7.896 -17.479 1.00 0.00 C ATOM 1328 C MET A 84 -0.165 7.715 -17.043 1.00 0.00 C ATOM 1329 O MET A 84 -0.433 7.324 -15.906 1.00 0.00 O ATOM 1330 CB MET A 84 2.015 6.516 -17.469 1.00 0.00 C ATOM 1331 CG MET A 84 1.359 5.426 -18.337 1.00 0.00 C ATOM 1332 SD MET A 84 2.169 3.807 -18.198 1.00 0.00 S ATOM 1333 CE MET A 84 3.380 4.000 -19.534 1.00 0.00 C ATOM 0 H MET A 84 1.674 8.848 -15.632 1.00 0.00 H new ATOM 0 HA MET A 84 1.352 8.294 -18.493 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.043 6.652 -17.804 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.059 6.158 -16.440 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.312 5.326 -18.051 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.375 5.744 -19.380 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.862 3.042 -19.729 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.874 4.342 -20.437 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.133 4.732 -19.240 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.100 7.862 -17.990 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.534 7.510 -17.791 1.00 0.00 C ATOM 1345 C ASN A 85 -2.788 6.120 -18.408 1.00 0.00 C ATOM 1346 O ASN A 85 -2.014 5.564 -19.198 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.533 8.571 -18.343 1.00 0.00 C ATOM 1348 CG ASN A 85 -3.073 9.143 -19.692 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -2.124 9.936 -19.728 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -3.741 8.737 -20.807 1.00 0.00 N ATOM 0 H ASN A 85 -0.896 8.227 -18.920 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.723 7.491 -16.718 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.518 8.118 -18.458 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.637 9.381 -17.622 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.465 9.089 -21.724 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.518 8.081 -20.726 1.00 0.00 H new ATOM 1357 N PHE A 86 -3.923 5.539 -18.020 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.325 4.197 -18.544 1.00 0.00 C ATOM 1359 C PHE A 86 -4.643 4.153 -20.084 1.00 0.00 C ATOM 1360 O PHE A 86 -4.689 3.064 -20.664 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.592 3.734 -17.764 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.838 2.243 -17.751 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.852 1.353 -17.292 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -7.102 1.728 -18.091 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -5.126 -0.013 -17.147 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.378 0.361 -17.961 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.392 -0.509 -17.480 1.00 0.00 C ATOM 0 H PHE A 86 -4.581 5.952 -17.359 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.468 3.540 -18.397 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.510 4.080 -16.734 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.464 4.225 -18.197 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.869 1.728 -17.048 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.869 2.395 -18.457 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.362 -0.682 -16.779 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.351 -0.022 -18.232 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.608 -1.561 -17.366 1.00 0.00 H new ATOM 1377 N GLY A 87 -4.930 5.314 -20.720 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.026 5.412 -22.196 1.00 0.00 C ATOM 1379 C GLY A 87 -3.627 5.323 -22.866 1.00 0.00 C ATOM 1380 O GLY A 87 -3.443 4.511 -23.773 1.00 0.00 O ATOM 0 H GLY A 87 -5.099 6.195 -20.234 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.663 4.612 -22.574 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.502 6.354 -22.469 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.633 6.080 -22.359 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.211 5.942 -22.745 1.00 0.00 C ATOM 1386 C ASP A 88 -0.595 4.525 -22.424 1.00 0.00 C ATOM 1387 O ASP A 88 0.022 3.934 -23.309 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.301 6.999 -22.061 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.481 8.369 -22.717 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.642 8.852 -22.796 1.00 0.00 O ATOM 1391 OD2 ASP A 88 0.550 8.948 -23.154 1.00 0.00 O ATOM 0 H ASP A 88 -2.794 6.810 -21.665 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.229 6.090 -23.825 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.543 7.063 -21.000 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.742 6.690 -22.132 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.829 3.943 -21.222 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.477 2.540 -20.870 1.00 0.00 C ATOM 1398 C PHE A 89 -1.011 1.437 -21.837 1.00 0.00 C ATOM 1399 O PHE A 89 -0.219 0.639 -22.341 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.871 2.152 -19.415 1.00 0.00 C ATOM 1401 CG PHE A 89 -0.116 0.952 -18.853 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.218 0.634 -19.199 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.750 0.158 -17.883 1.00 0.00 C ATOM 1404 CE1 PHE A 89 1.888 -0.430 -18.584 1.00 0.00 C ATOM 1405 CE2 PHE A 89 -0.075 -0.897 -17.255 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.243 -1.195 -17.608 1.00 0.00 C ATOM 0 H PHE A 89 -1.276 4.443 -20.454 1.00 0.00 H new ATOM 0 HA PHE A 89 0.608 2.558 -20.973 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.700 3.010 -18.765 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.940 1.939 -19.386 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.727 1.221 -19.949 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.776 0.364 -17.617 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.905 -0.660 -18.864 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.575 -1.481 -16.496 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.761 -2.013 -17.129 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.327 1.404 -22.118 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.906 0.406 -23.067 1.00 0.00 C ATOM 1418 C LEU A 90 -2.591 0.680 -24.568 1.00 0.00 C ATOM 1419 O LEU A 90 -2.285 -0.283 -25.267 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.450 0.292 -22.961 1.00 0.00 C ATOM 1421 CG LEU A 90 -4.949 -0.701 -21.883 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -4.535 -0.323 -20.453 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -6.475 -0.889 -21.969 1.00 0.00 C ATOM 0 H LEU A 90 -3.010 2.044 -21.713 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.420 -0.518 -22.755 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.860 1.279 -22.746 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.846 -0.014 -23.929 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.456 -1.647 -22.104 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.921 -1.065 -19.754 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.448 -0.292 -20.385 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.942 0.657 -20.203 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.799 -1.591 -21.201 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.969 0.070 -21.815 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.739 -1.279 -22.952 1.00 0.00 H new ATOM 1435 N THR A 91 -2.590 1.929 -25.072 1.00 0.00 N ATOM 1436 CA THR A 91 -2.080 2.240 -26.449 1.00 0.00 C ATOM 1437 C THR A 91 -0.590 1.803 -26.669 1.00 0.00 C ATOM 1438 O THR A 91 -0.323 1.026 -27.593 1.00 0.00 O ATOM 1439 CB THR A 91 -2.279 3.674 -26.924 1.00 0.00 C ATOM 1440 OG1 THR A 91 -1.668 4.626 -26.059 1.00 0.00 O ATOM 1441 CG2 THR A 91 -3.792 3.957 -27.024 1.00 0.00 C ATOM 0 H THR A 91 -2.931 2.743 -24.561 1.00 0.00 H new ATOM 0 HA THR A 91 -2.727 1.626 -27.076 1.00 0.00 H new ATOM 0 HB THR A 91 -1.799 3.776 -27.897 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.173 4.677 -25.220 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.949 4.981 -27.363 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.245 3.266 -27.735 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.252 3.825 -26.045 1.00 0.00 H new ATOM 1449 N VAL A 92 0.357 2.238 -25.811 1.00 0.00 N ATOM 1450 CA VAL A 92 1.807 1.904 -25.967 1.00 0.00 C ATOM 1451 C VAL A 92 2.141 0.380 -25.785 1.00 0.00 C ATOM 1452 O VAL A 92 2.797 -0.188 -26.667 1.00 0.00 O ATOM 1453 CB VAL A 92 2.695 2.840 -25.141 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.783 2.463 -23.648 1.00 0.00 C ATOM 1455 CG2 VAL A 92 4.090 2.928 -25.784 1.00 0.00 C ATOM 0 H VAL A 92 0.153 2.822 -25.000 1.00 0.00 H new ATOM 0 HA VAL A 92 2.051 2.091 -27.013 1.00 0.00 H new ATOM 0 HB VAL A 92 2.222 3.822 -25.154 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.429 3.172 -23.131 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.787 2.491 -23.206 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.195 1.459 -23.550 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.721 3.594 -25.195 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.540 1.936 -25.815 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.999 3.317 -26.798 1.00 0.00 H new ATOM 1465 N MET A 93 1.679 -0.293 -24.709 1.00 0.00 N ATOM 1466 CA MET A 93 1.918 -1.758 -24.510 1.00 0.00 C ATOM 1467 C MET A 93 1.147 -2.679 -25.516 1.00 0.00 C ATOM 1468 O MET A 93 1.794 -3.549 -26.100 1.00 0.00 O ATOM 1469 CB MET A 93 1.633 -2.251 -23.068 1.00 0.00 C ATOM 1470 CG MET A 93 2.891 -2.261 -22.177 1.00 0.00 C ATOM 1471 SD MET A 93 3.675 -0.649 -21.900 1.00 0.00 S ATOM 1472 CE MET A 93 5.247 -1.356 -21.334 1.00 0.00 C ATOM 0 H MET A 93 1.139 0.144 -23.962 1.00 0.00 H new ATOM 0 HA MET A 93 2.986 -1.850 -24.708 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.877 -1.611 -22.613 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.215 -3.257 -23.109 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.624 -2.685 -21.209 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.626 -2.929 -22.626 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.969 -0.555 -21.172 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.088 -1.895 -20.400 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.630 -2.043 -22.089 1.00 0.00 H new ATOM 1482 N THR A 94 -0.174 -2.519 -25.759 1.00 0.00 N ATOM 1483 CA THR A 94 -0.917 -3.332 -26.782 1.00 0.00 C ATOM 1484 C THR A 94 -0.374 -3.152 -28.244 1.00 0.00 C ATOM 1485 O THR A 94 -0.103 -4.172 -28.883 1.00 0.00 O ATOM 1486 CB THR A 94 -2.438 -3.245 -26.746 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.949 -1.984 -27.166 1.00 0.00 O ATOM 1488 CG2 THR A 94 -2.948 -3.581 -25.328 1.00 0.00 C ATOM 0 H THR A 94 -0.756 -1.840 -25.269 1.00 0.00 H new ATOM 0 HA THR A 94 -0.692 -4.348 -26.458 1.00 0.00 H new ATOM 0 HB THR A 94 -2.808 -3.977 -27.464 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.600 -1.279 -26.582 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.036 -3.517 -25.308 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.639 -4.591 -25.060 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.530 -2.872 -24.613 1.00 0.00 H new ATOM 1496 N GLN A 95 -0.175 -1.913 -28.766 1.00 0.00 N ATOM 1497 CA GLN A 95 0.474 -1.700 -30.097 1.00 0.00 C ATOM 1498 C GLN A 95 1.947 -2.227 -30.234 1.00 0.00 C ATOM 1499 O GLN A 95 2.278 -2.782 -31.284 1.00 0.00 O ATOM 1500 CB GLN A 95 0.483 -0.194 -30.455 1.00 0.00 C ATOM 1501 CG GLN A 95 0.866 0.122 -31.913 1.00 0.00 C ATOM 1502 CD GLN A 95 0.807 1.635 -32.146 1.00 0.00 C ATOM 1503 OE1 GLN A 95 0.563 2.420 -31.223 1.00 0.00 O ATOM 1504 NE2 GLN A 95 1.041 2.048 -33.428 1.00 0.00 N ATOM 0 H GLN A 95 -0.450 -1.051 -28.295 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.136 -2.292 -30.780 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.507 0.218 -30.257 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.180 0.318 -29.792 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.869 -0.249 -32.124 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.187 -0.388 -32.596 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.238 1.362 -34.157 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.018 3.042 -33.656 1.00 0.00 H new ATOM 1513 N LYS A 96 2.826 -2.065 -29.224 1.00 0.00 N ATOM 1514 CA LYS A 96 4.203 -2.659 -29.258 1.00 0.00 C ATOM 1515 C LYS A 96 4.295 -4.206 -28.977 1.00 0.00 C ATOM 1516 O LYS A 96 5.176 -4.839 -29.564 1.00 0.00 O ATOM 1517 CB LYS A 96 5.180 -1.887 -28.340 1.00 0.00 C ATOM 1518 CG LYS A 96 5.336 -0.423 -28.800 1.00 0.00 C ATOM 1519 CD LYS A 96 6.254 0.445 -27.923 1.00 0.00 C ATOM 1520 CE LYS A 96 6.327 1.897 -28.431 1.00 0.00 C ATOM 1521 NZ LYS A 96 7.115 2.766 -27.529 1.00 0.00 N ATOM 0 H LYS A 96 2.622 -1.535 -28.377 1.00 0.00 H new ATOM 0 HA LYS A 96 4.502 -2.545 -30.300 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.815 -1.912 -27.313 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.153 -2.378 -28.344 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.723 -0.418 -29.819 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.349 0.038 -28.832 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.889 0.437 -26.896 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.255 0.015 -27.908 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.772 1.910 -29.426 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.318 2.297 -28.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.223 3.706 -27.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.623 2.857 -26.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.054 2.346 -27.375 1.00 0.00 H new ATOM 1535 N MET A 97 3.452 -4.826 -28.122 1.00 0.00 N ATOM 1536 CA MET A 97 3.428 -6.313 -27.933 1.00 0.00 C ATOM 1537 C MET A 97 2.698 -7.110 -29.075 1.00 0.00 C ATOM 1538 O MET A 97 3.323 -7.998 -29.662 1.00 0.00 O ATOM 1539 CB MET A 97 2.730 -6.711 -26.607 1.00 0.00 C ATOM 1540 CG MET A 97 3.494 -6.258 -25.348 1.00 0.00 C ATOM 1541 SD MET A 97 2.572 -6.547 -23.802 1.00 0.00 S ATOM 1542 CE MET A 97 3.929 -6.091 -22.683 1.00 0.00 C ATOM 0 H MET A 97 2.774 -4.328 -27.546 1.00 0.00 H new ATOM 0 HA MET A 97 4.484 -6.581 -27.936 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.729 -6.280 -26.589 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.611 -7.794 -26.580 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.446 -6.787 -25.299 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.723 -5.196 -25.433 1.00 0.00 H new ATOM 0 HE1 MET A 97 3.555 -6.036 -21.661 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.716 -6.842 -22.741 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.331 -5.121 -22.975 1.00 0.00 H new ATOM 1552 N SER A 98 1.398 -6.868 -29.334 1.00 0.00 N ATOM 1553 CA SER A 98 0.650 -7.517 -30.445 1.00 0.00 C ATOM 1554 C SER A 98 0.857 -6.906 -31.873 1.00 0.00 C ATOM 1555 O SER A 98 0.492 -5.716 -32.054 1.00 0.00 O ATOM 1556 CB SER A 98 -0.875 -7.510 -30.146 1.00 0.00 C ATOM 1557 OG SER A 98 -1.616 -8.307 -31.066 1.00 0.00 O ATOM 1558 OXT SER A 98 1.339 -7.643 -32.770 1.00 0.00 O ATOM 0 H SER A 98 0.833 -6.221 -28.785 1.00 0.00 H new ATOM 0 HA SER A 98 1.070 -8.522 -30.478 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.045 -7.877 -29.134 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.244 -6.485 -30.180 1.00 0.00 H new ATOM 0 HG SER A 98 -2.568 -8.272 -30.836 1.00 0.00 H new