USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 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 29 GLN : amide:sc= 0.00482 K(o=0.94,f=-0.11) USER MOD Set 1.2: A 98 SER OG : rot -11:sc= 0.931 USER MOD Set 2.1: A 57 MET CE :methyl 174:sc= -0.0118 (180deg=-0.0362) USER MOD Set 2.2: A 93 MET CE :methyl 169:sc= 0 (180deg=-0.172) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.549 K(o=0.55,f=-0.05) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.84! (180deg=-0.923!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= 0.882! (180deg=0.309!) USER MOD Single : A 66 LYS NZ :NH3+ 137:sc= 1.22 (180deg=0.125) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 144:sc= 0.607 (180deg=-0.228!) USER MOD Single : A 72 MET CE :methyl -107:sc= -0.27 (180deg=-0.818) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -143:sc= 1.21 (180deg=0.375) USER MOD Single : A 81 THR OG1 : rot -18:sc= 0.898 USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 2.01 (180deg=1.89) USER MOD Single : A 84 MET CE :methyl -146:sc= -0.271 (180deg=-2.77!) USER MOD Single : A 85 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.9) USER MOD Single : A 91 THR OG1 : rot -75:sc= 0.897 USER MOD Single : A 94 THR OG1 : rot -49:sc= 1.22 USER MOD Single : A 95 GLN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 158:sc= 2.48 (180deg=2.21) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -7.242 -7.408 -26.441 1.00 0.00 N ATOM 384 CA LEU A 25 -6.112 -8.006 -25.666 1.00 0.00 C ATOM 385 C LEU A 25 -6.535 -9.239 -24.784 1.00 0.00 C ATOM 386 O LEU A 25 -7.636 -9.246 -24.222 1.00 0.00 O ATOM 387 CB LEU A 25 -5.360 -6.946 -24.817 1.00 0.00 C ATOM 388 CG LEU A 25 -6.085 -6.357 -23.573 1.00 0.00 C ATOM 389 CD1 LEU A 25 -5.103 -5.527 -22.724 1.00 0.00 C ATOM 390 CD2 LEU A 25 -7.336 -5.514 -23.894 1.00 0.00 C ATOM 0 HA LEU A 25 -5.422 -8.388 -26.418 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.425 -7.392 -24.478 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.098 -6.117 -25.474 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.443 -7.222 -23.014 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.625 -5.121 -21.857 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.284 -6.163 -22.390 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.705 -4.709 -23.324 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.774 -5.146 -22.966 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.054 -4.669 -24.523 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.065 -6.130 -24.420 1.00 0.00 H new ATOM 402 N THR A 26 -5.697 -10.292 -24.679 1.00 0.00 N ATOM 403 CA THR A 26 -6.116 -11.591 -24.044 1.00 0.00 C ATOM 404 C THR A 26 -5.606 -11.710 -22.559 1.00 0.00 C ATOM 405 O THR A 26 -5.201 -10.719 -21.951 1.00 0.00 O ATOM 406 CB THR A 26 -5.683 -12.785 -24.884 1.00 0.00 C ATOM 407 OG1 THR A 26 -4.288 -12.747 -25.172 1.00 0.00 O ATOM 408 CG2 THR A 26 -6.483 -12.786 -26.206 1.00 0.00 C ATOM 0 H THR A 26 -4.735 -10.284 -25.017 1.00 0.00 H new ATOM 0 HA THR A 26 -7.205 -11.595 -24.007 1.00 0.00 H new ATOM 0 HB THR A 26 -5.882 -13.694 -24.316 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.044 -13.528 -25.711 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.179 -13.638 -26.814 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.548 -12.858 -25.987 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.286 -11.863 -26.751 1.00 0.00 H new ATOM 416 N GLU A 27 -5.621 -12.916 -21.960 1.00 0.00 N ATOM 417 CA GLU A 27 -5.330 -13.163 -20.514 1.00 0.00 C ATOM 418 C GLU A 27 -3.993 -12.577 -19.954 1.00 0.00 C ATOM 419 O GLU A 27 -4.016 -11.788 -19.003 1.00 0.00 O ATOM 420 CB GLU A 27 -5.330 -14.680 -20.184 1.00 0.00 C ATOM 421 CG GLU A 27 -6.722 -15.353 -20.125 1.00 0.00 C ATOM 422 CD GLU A 27 -7.485 -15.284 -21.446 1.00 0.00 C ATOM 423 OE1 GLU A 27 -6.841 -15.425 -22.521 1.00 0.00 O ATOM 424 OE2 GLU A 27 -8.725 -15.071 -21.394 1.00 0.00 O ATOM 0 H GLU A 27 -5.839 -13.772 -22.470 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.143 -12.625 -20.026 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.729 -15.196 -20.932 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.836 -14.824 -19.223 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.601 -16.398 -19.838 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.316 -14.875 -19.346 1.00 0.00 H new ATOM 431 N GLU A 28 -2.862 -12.937 -20.587 1.00 0.00 N ATOM 432 CA GLU A 28 -1.522 -12.322 -20.343 1.00 0.00 C ATOM 433 C GLU A 28 -1.504 -10.754 -20.394 1.00 0.00 C ATOM 434 O GLU A 28 -1.136 -10.116 -19.401 1.00 0.00 O ATOM 435 CB GLU A 28 -0.492 -12.906 -21.348 1.00 0.00 C ATOM 436 CG GLU A 28 0.956 -12.376 -21.249 1.00 0.00 C ATOM 437 CD GLU A 28 1.154 -11.166 -22.162 1.00 0.00 C ATOM 438 OE1 GLU A 28 0.920 -11.319 -23.392 1.00 0.00 O ATOM 439 OE2 GLU A 28 1.521 -10.077 -21.650 1.00 0.00 O ATOM 0 H GLU A 28 -2.841 -13.672 -21.294 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.252 -12.579 -19.319 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.467 -13.988 -21.219 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.856 -12.714 -22.357 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.177 -12.100 -20.218 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.656 -13.164 -21.525 1.00 0.00 H new ATOM 446 N GLN A 29 -1.962 -10.142 -21.504 1.00 0.00 N ATOM 447 CA GLN A 29 -2.003 -8.659 -21.630 1.00 0.00 C ATOM 448 C GLN A 29 -3.033 -7.974 -20.667 1.00 0.00 C ATOM 449 O GLN A 29 -2.636 -7.051 -19.954 1.00 0.00 O ATOM 450 CB GLN A 29 -2.148 -8.169 -23.082 1.00 0.00 C ATOM 451 CG GLN A 29 -0.933 -8.580 -23.937 1.00 0.00 C ATOM 452 CD GLN A 29 -0.800 -7.696 -25.181 1.00 0.00 C ATOM 453 OE1 GLN A 29 0.062 -6.810 -25.218 1.00 0.00 O ATOM 454 NE2 GLN A 29 -1.665 -7.935 -26.208 1.00 0.00 N ATOM 0 H GLN A 29 -2.308 -10.641 -22.324 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.018 -8.331 -21.297 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.058 -8.581 -23.518 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.253 -7.084 -23.093 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.024 -8.508 -23.339 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.034 -9.622 -24.239 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.359 -8.679 -26.128 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.618 -7.370 -27.056 1.00 0.00 H new ATOM 463 N LYS A 30 -4.309 -8.429 -20.617 1.00 0.00 N ATOM 464 CA LYS A 30 -5.330 -7.991 -19.601 1.00 0.00 C ATOM 465 C LYS A 30 -4.818 -7.856 -18.129 1.00 0.00 C ATOM 466 O LYS A 30 -4.810 -6.759 -17.561 1.00 0.00 O ATOM 467 CB LYS A 30 -6.534 -8.972 -19.509 1.00 0.00 C ATOM 468 CG LYS A 30 -7.523 -8.920 -20.684 1.00 0.00 C ATOM 469 CD LYS A 30 -8.458 -7.702 -20.650 1.00 0.00 C ATOM 470 CE LYS A 30 -9.505 -7.745 -21.771 1.00 0.00 C ATOM 471 NZ LYS A 30 -10.376 -6.551 -21.745 1.00 0.00 N ATOM 0 H LYS A 30 -4.673 -9.114 -21.279 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.603 -7.008 -19.984 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.147 -9.988 -19.428 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.080 -8.764 -18.589 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.963 -8.911 -21.619 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.125 -9.829 -20.682 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.963 -7.660 -19.685 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.868 -6.790 -20.741 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.003 -7.810 -22.737 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.114 -8.643 -21.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.072 -6.612 -22.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.873 -6.504 -20.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.797 -5.696 -21.869 1.00 0.00 H new ATOM 485 N GLN A 31 -4.335 -8.983 -17.583 1.00 0.00 N ATOM 486 CA GLN A 31 -3.658 -9.050 -16.262 1.00 0.00 C ATOM 487 C GLN A 31 -2.446 -8.084 -16.099 1.00 0.00 C ATOM 488 O GLN A 31 -2.429 -7.361 -15.104 1.00 0.00 O ATOM 489 CB GLN A 31 -3.201 -10.505 -15.974 1.00 0.00 C ATOM 490 CG GLN A 31 -2.458 -10.744 -14.640 1.00 0.00 C ATOM 491 CD GLN A 31 -0.949 -10.886 -14.901 1.00 0.00 C ATOM 492 OE1 GLN A 31 -0.537 -11.860 -15.543 1.00 0.00 O ATOM 493 NE2 GLN A 31 -0.135 -9.907 -14.411 1.00 0.00 N ATOM 0 H GLN A 31 -4.401 -9.889 -18.046 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.403 -8.721 -15.538 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.080 -11.149 -15.995 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.551 -10.826 -16.788 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.642 -9.914 -13.957 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.839 -11.644 -14.157 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.533 -9.127 -13.888 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.872 -9.955 -14.567 1.00 0.00 H new ATOM 502 N GLU A 32 -1.445 -8.049 -16.999 1.00 0.00 N ATOM 503 CA GLU A 32 -0.204 -7.239 -16.739 1.00 0.00 C ATOM 504 C GLU A 32 -0.431 -5.690 -16.780 1.00 0.00 C ATOM 505 O GLU A 32 -0.015 -5.008 -15.835 1.00 0.00 O ATOM 506 CB GLU A 32 0.969 -7.678 -17.644 1.00 0.00 C ATOM 507 CG GLU A 32 2.364 -7.369 -17.067 1.00 0.00 C ATOM 508 CD GLU A 32 2.568 -8.037 -15.706 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.424 -9.286 -15.624 1.00 0.00 O ATOM 510 OE2 GLU A 32 2.850 -7.300 -14.725 1.00 0.00 O ATOM 0 H GLU A 32 -1.452 -8.548 -17.888 1.00 0.00 H new ATOM 0 HA GLU A 32 0.073 -7.458 -15.708 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.892 -8.750 -17.824 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.871 -7.185 -18.611 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.131 -7.714 -17.761 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.487 -6.291 -16.966 1.00 0.00 H new ATOM 517 N ILE A 33 -1.105 -5.112 -17.802 1.00 0.00 N ATOM 518 CA ILE A 33 -1.401 -3.642 -17.815 1.00 0.00 C ATOM 519 C ILE A 33 -2.477 -3.248 -16.736 1.00 0.00 C ATOM 520 O ILE A 33 -2.216 -2.270 -16.023 1.00 0.00 O ATOM 521 CB ILE A 33 -1.850 -3.228 -19.230 1.00 0.00 C ATOM 522 CG1 ILE A 33 -0.660 -3.168 -20.231 1.00 0.00 C ATOM 523 CG2 ILE A 33 -2.588 -1.870 -19.242 1.00 0.00 C ATOM 524 CD1 ILE A 33 -0.147 -4.514 -20.758 1.00 0.00 C ATOM 0 H ILE A 33 -1.452 -5.620 -18.616 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.491 -3.102 -17.553 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.544 -4.005 -19.550 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.960 -2.559 -21.084 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.169 -2.652 -19.747 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.883 -1.625 -20.262 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.476 -1.933 -18.613 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.926 -1.093 -18.859 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.681 -4.344 -21.446 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.195 -5.125 -19.923 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.952 -5.031 -21.280 1.00 0.00 H new ATOM 536 N ARG A 34 -3.637 -3.956 -16.559 1.00 0.00 N ATOM 537 CA ARG A 34 -4.554 -3.672 -15.416 1.00 0.00 C ATOM 538 C ARG A 34 -3.852 -3.833 -14.041 1.00 0.00 C ATOM 539 O ARG A 34 -3.909 -2.880 -13.264 1.00 0.00 O ATOM 540 CB ARG A 34 -5.840 -4.548 -15.397 1.00 0.00 C ATOM 541 CG ARG A 34 -6.828 -4.228 -14.247 1.00 0.00 C ATOM 542 CD ARG A 34 -6.723 -5.162 -13.021 1.00 0.00 C ATOM 543 NE ARG A 34 -7.350 -4.500 -11.827 1.00 0.00 N ATOM 544 CZ ARG A 34 -7.350 -5.052 -10.574 1.00 0.00 C ATOM 545 NH1 ARG A 34 -6.826 -6.289 -10.336 1.00 0.00 N ATOM 546 NH2 ARG A 34 -7.861 -4.328 -9.535 1.00 0.00 N ATOM 0 H ARG A 34 -3.949 -4.706 -17.176 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.845 -2.634 -15.576 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.359 -4.426 -16.348 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.548 -5.596 -15.325 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.661 -3.202 -13.919 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.845 -4.277 -14.637 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.222 -6.108 -13.229 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.678 -5.392 -12.815 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.799 -3.593 -11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.421 -6.827 -11.102 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.839 -6.676 -9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.234 -3.393 -9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.870 -4.722 -8.594 1.00 0.00 H new ATOM 560 N GLU A 35 -3.240 -4.990 -13.710 1.00 0.00 N ATOM 561 CA GLU A 35 -2.725 -5.221 -12.336 1.00 0.00 C ATOM 562 C GLU A 35 -1.495 -4.319 -11.982 1.00 0.00 C ATOM 563 O GLU A 35 -1.409 -3.915 -10.824 1.00 0.00 O ATOM 564 CB GLU A 35 -2.308 -6.699 -12.133 1.00 0.00 C ATOM 565 CG GLU A 35 -2.253 -7.177 -10.671 1.00 0.00 C ATOM 566 CD GLU A 35 -3.662 -7.261 -10.103 1.00 0.00 C ATOM 567 OE1 GLU A 35 -4.522 -7.947 -10.724 1.00 0.00 O ATOM 568 OE2 GLU A 35 -3.918 -6.680 -9.016 1.00 0.00 O ATOM 0 H GLU A 35 -3.091 -5.765 -14.356 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.551 -4.961 -11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.006 -7.334 -12.678 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.326 -6.846 -12.582 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.770 -8.153 -10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.652 -6.489 -10.076 1.00 0.00 H new ATOM 575 N ALA A 36 -0.606 -3.922 -12.928 1.00 0.00 N ATOM 576 CA ALA A 36 0.430 -2.891 -12.646 1.00 0.00 C ATOM 577 C ALA A 36 -0.148 -1.445 -12.454 1.00 0.00 C ATOM 578 O ALA A 36 0.070 -0.848 -11.392 1.00 0.00 O ATOM 579 CB ALA A 36 1.479 -2.817 -13.773 1.00 0.00 C ATOM 0 H ALA A 36 -0.583 -4.292 -13.878 1.00 0.00 H new ATOM 0 HA ALA A 36 0.881 -3.216 -11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.219 -2.054 -13.532 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.974 -3.783 -13.873 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.987 -2.562 -14.712 1.00 0.00 H new ATOM 585 N PHE A 37 -0.901 -0.878 -13.432 1.00 0.00 N ATOM 586 CA PHE A 37 -1.505 0.482 -13.270 1.00 0.00 C ATOM 587 C PHE A 37 -2.482 0.607 -12.050 1.00 0.00 C ATOM 588 O PHE A 37 -2.368 1.583 -11.310 1.00 0.00 O ATOM 589 CB PHE A 37 -2.294 0.876 -14.543 1.00 0.00 C ATOM 590 CG PHE A 37 -2.414 2.373 -14.698 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.399 3.105 -14.008 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.556 3.056 -15.577 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.499 4.493 -14.168 1.00 0.00 C ATOM 594 CE2 PHE A 37 -1.682 4.432 -15.772 1.00 0.00 C ATOM 595 CZ PHE A 37 -2.635 5.155 -15.048 1.00 0.00 C ATOM 0 H PHE A 37 -1.105 -1.326 -14.325 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.660 1.148 -13.094 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.797 0.460 -15.420 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.290 0.435 -14.502 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.084 2.592 -13.349 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.790 2.510 -16.108 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.240 5.050 -13.614 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.044 4.938 -16.481 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.705 6.226 -15.168 1.00 0.00 H new ATOM 605 N ASP A 38 -3.363 -0.379 -11.797 1.00 0.00 N ATOM 606 CA ASP A 38 -4.177 -0.464 -10.549 1.00 0.00 C ATOM 607 C ASP A 38 -3.336 -0.659 -9.222 1.00 0.00 C ATOM 608 O ASP A 38 -3.722 -0.103 -8.191 1.00 0.00 O ATOM 609 CB ASP A 38 -5.154 -1.666 -10.702 1.00 0.00 C ATOM 610 CG ASP A 38 -6.382 -1.652 -9.790 1.00 0.00 C ATOM 611 OD1 ASP A 38 -6.226 -1.737 -8.547 1.00 0.00 O ATOM 612 OD2 ASP A 38 -7.518 -1.674 -10.346 1.00 0.00 O ATOM 0 H ASP A 38 -3.538 -1.145 -12.447 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.689 0.492 -10.439 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.495 -1.702 -11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.599 -2.586 -10.517 1.00 0.00 H new ATOM 617 N LEU A 39 -2.184 -1.384 -9.204 1.00 0.00 N ATOM 618 CA LEU A 39 -1.251 -1.411 -8.044 1.00 0.00 C ATOM 619 C LEU A 39 -0.730 0.004 -7.609 1.00 0.00 C ATOM 620 O LEU A 39 -0.706 0.301 -6.410 1.00 0.00 O ATOM 621 CB LEU A 39 -0.014 -2.306 -8.325 1.00 0.00 C ATOM 622 CG LEU A 39 0.985 -2.497 -7.156 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.342 -3.170 -5.927 1.00 0.00 C ATOM 624 CD2 LEU A 39 2.228 -3.278 -7.631 1.00 0.00 C ATOM 0 H LEU A 39 -1.878 -1.962 -9.987 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.849 -1.820 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.368 -3.289 -8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.528 -1.882 -9.170 1.00 0.00 H new ATOM 0 HG LEU A 39 1.296 -1.503 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.088 -3.278 -5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.482 -2.555 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.036 -4.153 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.919 -3.403 -6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.923 -4.257 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.721 -2.726 -8.431 1.00 0.00 H new ATOM 636 N PHE A 40 -0.318 0.858 -8.567 1.00 0.00 N ATOM 637 CA PHE A 40 0.093 2.265 -8.279 1.00 0.00 C ATOM 638 C PHE A 40 -1.135 3.231 -8.114 1.00 0.00 C ATOM 639 O PHE A 40 -1.196 3.957 -7.117 1.00 0.00 O ATOM 640 CB PHE A 40 1.080 2.807 -9.324 1.00 0.00 C ATOM 641 CG PHE A 40 2.297 1.914 -9.297 1.00 0.00 C ATOM 642 CD1 PHE A 40 3.203 1.983 -8.222 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.498 0.941 -10.290 1.00 0.00 C ATOM 644 CE1 PHE A 40 4.276 1.086 -8.135 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.553 0.028 -10.191 1.00 0.00 C ATOM 646 CZ PHE A 40 4.444 0.101 -9.116 1.00 0.00 C ATOM 0 H PHE A 40 -0.258 0.606 -9.553 1.00 0.00 H new ATOM 0 HA PHE A 40 0.610 2.233 -7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.627 2.810 -10.315 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.354 3.837 -9.096 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.070 2.734 -7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.831 0.897 -11.138 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.973 1.154 -7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.679 -0.734 -10.946 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.261 -0.602 -9.042 1.00 0.00 H new ATOM 656 N ASP A 41 -2.135 3.210 -9.020 1.00 0.00 N ATOM 657 CA ASP A 41 -3.414 3.947 -8.859 1.00 0.00 C ATOM 658 C ASP A 41 -4.488 3.061 -8.133 1.00 0.00 C ATOM 659 O ASP A 41 -5.346 2.432 -8.760 1.00 0.00 O ATOM 660 CB ASP A 41 -3.962 4.396 -10.247 1.00 0.00 C ATOM 661 CG ASP A 41 -5.211 5.283 -10.186 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.816 5.429 -9.092 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.581 5.836 -11.256 1.00 0.00 O ATOM 0 H ASP A 41 -2.081 2.680 -9.890 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.215 4.827 -8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.176 4.935 -10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.192 3.508 -10.836 1.00 0.00 H new ATOM 668 N ALA A 42 -4.411 3.000 -6.789 1.00 0.00 N ATOM 669 CA ALA A 42 -5.222 2.029 -5.985 1.00 0.00 C ATOM 670 C ALA A 42 -6.714 2.425 -5.738 1.00 0.00 C ATOM 671 O ALA A 42 -7.607 1.603 -5.958 1.00 0.00 O ATOM 672 CB ALA A 42 -4.590 1.794 -4.600 1.00 0.00 C ATOM 0 H ALA A 42 -3.805 3.600 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.218 1.134 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.199 1.086 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.585 1.391 -4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.539 2.738 -4.058 1.00 0.00 H new ATOM 678 N ASP A 43 -6.986 3.653 -5.261 1.00 0.00 N ATOM 679 CA ASP A 43 -8.371 4.128 -4.967 1.00 0.00 C ATOM 680 C ASP A 43 -9.173 4.693 -6.202 1.00 0.00 C ATOM 681 O ASP A 43 -10.398 4.813 -6.114 1.00 0.00 O ATOM 682 CB ASP A 43 -8.377 5.270 -3.914 1.00 0.00 C ATOM 683 CG ASP A 43 -7.837 4.775 -2.572 1.00 0.00 C ATOM 684 OD1 ASP A 43 -8.503 3.907 -1.945 1.00 0.00 O ATOM 685 OD2 ASP A 43 -6.757 5.269 -2.151 1.00 0.00 O ATOM 0 H ASP A 43 -6.265 4.348 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.858 3.219 -4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.770 6.102 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.392 5.647 -3.786 1.00 0.00 H new ATOM 690 N GLY A 44 -8.518 5.028 -7.332 1.00 0.00 N ATOM 691 CA GLY A 44 -9.185 5.522 -8.563 1.00 0.00 C ATOM 692 C GLY A 44 -8.946 7.022 -8.807 1.00 0.00 C ATOM 693 O GLY A 44 -9.811 7.844 -8.496 1.00 0.00 O ATOM 0 H GLY A 44 -7.504 4.964 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.821 4.956 -9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.257 5.336 -8.490 1.00 0.00 H new ATOM 697 N THR A 45 -7.771 7.369 -9.354 1.00 0.00 N ATOM 698 CA THR A 45 -7.307 8.782 -9.463 1.00 0.00 C ATOM 699 C THR A 45 -7.175 9.202 -10.964 1.00 0.00 C ATOM 700 O THR A 45 -7.939 10.059 -11.414 1.00 0.00 O ATOM 701 CB THR A 45 -6.036 9.098 -8.670 1.00 0.00 C ATOM 702 OG1 THR A 45 -4.912 8.323 -9.078 1.00 0.00 O ATOM 703 CG2 THR A 45 -6.315 8.826 -7.176 1.00 0.00 C ATOM 0 H THR A 45 -7.111 6.691 -9.734 1.00 0.00 H new ATOM 0 HA THR A 45 -8.080 9.388 -8.991 1.00 0.00 H new ATOM 0 HB THR A 45 -5.786 10.143 -8.854 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.132 8.569 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.421 9.045 -6.593 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.134 9.461 -6.837 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.588 7.779 -7.042 1.00 0.00 H new ATOM 711 N GLY A 46 -6.218 8.643 -11.730 1.00 0.00 N ATOM 712 CA GLY A 46 -6.024 9.019 -13.164 1.00 0.00 C ATOM 713 C GLY A 46 -4.609 8.736 -13.689 1.00 0.00 C ATOM 714 O GLY A 46 -4.432 7.873 -14.550 1.00 0.00 O ATOM 0 H GLY A 46 -5.567 7.934 -11.393 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.744 8.474 -13.774 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.242 10.080 -13.285 1.00 0.00 H new ATOM 718 N THR A 47 -3.622 9.527 -13.236 1.00 0.00 N ATOM 719 CA THR A 47 -2.218 9.417 -13.734 1.00 0.00 C ATOM 720 C THR A 47 -1.286 8.772 -12.668 1.00 0.00 C ATOM 721 O THR A 47 -1.301 9.101 -11.480 1.00 0.00 O ATOM 722 CB THR A 47 -1.644 10.772 -14.133 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.942 11.765 -13.154 1.00 0.00 O ATOM 724 CG2 THR A 47 -2.272 11.195 -15.477 1.00 0.00 C ATOM 0 H THR A 47 -3.757 10.250 -12.529 1.00 0.00 H new ATOM 0 HA THR A 47 -2.259 8.778 -14.616 1.00 0.00 H new ATOM 0 HB THR A 47 -0.561 10.683 -14.217 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.561 12.624 -13.433 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.872 12.163 -15.777 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.035 10.453 -16.239 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.354 11.268 -15.366 1.00 0.00 H new ATOM 732 N ILE A 48 -0.388 7.935 -13.189 1.00 0.00 N ATOM 733 CA ILE A 48 0.759 7.347 -12.439 1.00 0.00 C ATOM 734 C ILE A 48 2.037 8.141 -12.907 1.00 0.00 C ATOM 735 O ILE A 48 2.142 8.546 -14.077 1.00 0.00 O ATOM 736 CB ILE A 48 0.893 5.851 -12.808 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.045 5.134 -12.085 1.00 0.00 C ATOM 738 CG2 ILE A 48 1.017 5.645 -14.334 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.246 3.672 -12.509 1.00 0.00 C ATOM 0 H ILE A 48 -0.425 7.631 -14.162 1.00 0.00 H new ATOM 0 HA ILE A 48 0.625 7.419 -11.360 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.033 5.393 -12.460 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.969 5.683 -12.266 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.860 5.166 -11.011 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.109 4.581 -14.551 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.130 6.041 -14.828 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.900 6.168 -14.701 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.078 3.242 -11.951 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.338 3.105 -12.302 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.465 3.629 -13.576 1.00 0.00 H new ATOM 751 N ASP A 49 3.017 8.375 -12.010 1.00 0.00 N ATOM 752 CA ASP A 49 4.202 9.233 -12.335 1.00 0.00 C ATOM 753 C ASP A 49 5.457 8.365 -12.720 1.00 0.00 C ATOM 754 O ASP A 49 5.456 7.144 -12.560 1.00 0.00 O ATOM 755 CB ASP A 49 4.606 10.254 -11.217 1.00 0.00 C ATOM 756 CG ASP A 49 5.606 9.738 -10.170 1.00 0.00 C ATOM 757 OD1 ASP A 49 5.275 8.814 -9.388 1.00 0.00 O ATOM 758 OD2 ASP A 49 6.754 10.259 -10.139 1.00 0.00 O ATOM 0 H ASP A 49 3.023 7.993 -11.064 1.00 0.00 H new ATOM 0 HA ASP A 49 3.872 9.822 -13.190 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.031 11.137 -11.694 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.701 10.575 -10.701 1.00 0.00 H new ATOM 763 N VAL A 50 6.558 8.977 -13.200 1.00 0.00 N ATOM 764 CA VAL A 50 7.815 8.225 -13.570 1.00 0.00 C ATOM 765 C VAL A 50 8.482 7.393 -12.439 1.00 0.00 C ATOM 766 O VAL A 50 9.031 6.335 -12.745 1.00 0.00 O ATOM 767 CB VAL A 50 8.879 9.059 -14.269 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.540 9.065 -15.773 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.968 10.469 -13.646 1.00 0.00 C ATOM 0 H VAL A 50 6.621 9.984 -13.347 1.00 0.00 H new ATOM 0 HA VAL A 50 7.402 7.514 -14.285 1.00 0.00 H new ATOM 0 HB VAL A 50 9.874 8.633 -14.139 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.282 9.655 -16.311 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.545 8.043 -16.151 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.552 9.502 -15.922 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.735 11.047 -14.162 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.006 10.972 -13.746 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.226 10.385 -12.590 1.00 0.00 H new ATOM 779 N LYS A 51 8.436 7.803 -11.172 1.00 0.00 N ATOM 780 CA LYS A 51 8.863 6.932 -10.028 1.00 0.00 C ATOM 781 C LYS A 51 8.061 5.576 -9.940 1.00 0.00 C ATOM 782 O LYS A 51 8.627 4.492 -10.142 1.00 0.00 O ATOM 783 CB LYS A 51 8.686 7.645 -8.668 1.00 0.00 C ATOM 784 CG LYS A 51 9.497 8.948 -8.543 1.00 0.00 C ATOM 785 CD LYS A 51 9.342 9.659 -7.185 1.00 0.00 C ATOM 786 CE LYS A 51 8.199 10.690 -7.093 1.00 0.00 C ATOM 787 NZ LYS A 51 6.858 10.100 -7.309 1.00 0.00 N ATOM 0 H LYS A 51 8.111 8.728 -10.891 1.00 0.00 H new ATOM 0 HA LYS A 51 9.913 6.721 -10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.630 7.869 -8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.982 6.965 -7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.551 8.724 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.191 9.631 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.186 8.902 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.280 10.163 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.226 11.165 -6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.366 11.474 -7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.131 10.747 -6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.706 9.948 -8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.794 9.190 -6.809 1.00 0.00 H new ATOM 801 N GLU A 52 6.727 5.676 -9.769 1.00 0.00 N ATOM 802 CA GLU A 52 5.783 4.527 -9.876 1.00 0.00 C ATOM 803 C GLU A 52 5.832 3.755 -11.245 1.00 0.00 C ATOM 804 O GLU A 52 5.949 2.529 -11.240 1.00 0.00 O ATOM 805 CB GLU A 52 4.365 5.076 -9.698 1.00 0.00 C ATOM 806 CG GLU A 52 4.121 5.799 -8.363 1.00 0.00 C ATOM 807 CD GLU A 52 2.726 6.419 -8.411 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.460 7.207 -9.360 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.909 6.096 -7.511 1.00 0.00 O ATOM 0 H GLU A 52 6.264 6.558 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 52 6.077 3.810 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.152 5.766 -10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.657 4.252 -9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.199 5.099 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.875 6.569 -8.203 1.00 0.00 H new ATOM 816 N LEU A 53 5.772 4.447 -12.409 1.00 0.00 N ATOM 817 CA LEU A 53 5.892 3.825 -13.752 1.00 0.00 C ATOM 818 C LEU A 53 7.250 3.102 -14.044 1.00 0.00 C ATOM 819 O LEU A 53 7.241 2.081 -14.729 1.00 0.00 O ATOM 820 CB LEU A 53 5.657 4.880 -14.857 1.00 0.00 C ATOM 821 CG LEU A 53 5.419 4.314 -16.272 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.150 3.440 -16.344 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.398 5.453 -17.309 1.00 0.00 C ATOM 0 H LEU A 53 5.638 5.458 -12.443 1.00 0.00 H new ATOM 0 HA LEU A 53 5.124 3.051 -13.756 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.797 5.488 -14.578 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.520 5.545 -14.890 1.00 0.00 H new ATOM 0 HG LEU A 53 6.253 3.654 -16.513 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.024 3.064 -17.359 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.247 2.600 -15.656 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.281 4.037 -16.068 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.229 5.037 -18.302 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.597 6.151 -17.067 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.353 5.978 -17.293 1.00 0.00 H new ATOM 835 N LYS A 54 8.406 3.582 -13.549 1.00 0.00 N ATOM 836 CA LYS A 54 9.694 2.823 -13.605 1.00 0.00 C ATOM 837 C LYS A 54 9.629 1.492 -12.790 1.00 0.00 C ATOM 838 O LYS A 54 10.037 0.448 -13.308 1.00 0.00 O ATOM 839 CB LYS A 54 10.899 3.647 -13.089 1.00 0.00 C ATOM 840 CG LYS A 54 11.344 4.722 -14.096 1.00 0.00 C ATOM 841 CD LYS A 54 12.193 5.858 -13.498 1.00 0.00 C ATOM 842 CE LYS A 54 13.572 5.427 -12.984 1.00 0.00 C ATOM 843 NZ LYS A 54 14.324 6.593 -12.460 1.00 0.00 N ATOM 0 H LYS A 54 8.486 4.495 -13.102 1.00 0.00 H new ATOM 0 HA LYS A 54 9.841 2.601 -14.662 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.633 4.124 -12.145 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.734 2.977 -12.884 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.915 4.241 -14.890 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.457 5.155 -14.558 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.328 6.630 -14.256 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.640 6.312 -12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.456 4.680 -12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.135 4.957 -13.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.255 6.280 -12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.452 7.293 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.793 7.025 -11.677 1.00 0.00 H new ATOM 857 N VAL A 55 9.091 1.513 -11.550 1.00 0.00 N ATOM 858 CA VAL A 55 8.780 0.243 -10.793 1.00 0.00 C ATOM 859 C VAL A 55 7.741 -0.676 -11.557 1.00 0.00 C ATOM 860 O VAL A 55 7.897 -1.902 -11.572 1.00 0.00 O ATOM 861 CB VAL A 55 8.312 0.513 -9.367 1.00 0.00 C ATOM 862 CG1 VAL A 55 8.159 -0.808 -8.579 1.00 0.00 C ATOM 863 CG2 VAL A 55 9.340 1.428 -8.669 1.00 0.00 C ATOM 0 H VAL A 55 8.861 2.369 -11.046 1.00 0.00 H new ATOM 0 HA VAL A 55 9.722 -0.301 -10.733 1.00 0.00 H new ATOM 0 HB VAL A 55 7.338 1.002 -9.397 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.824 -0.590 -7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.426 -1.444 -9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.119 -1.323 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.015 1.628 -7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.312 0.935 -8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.420 2.368 -9.215 1.00 0.00 H new ATOM 873 N ALA A 56 6.731 -0.078 -12.220 1.00 0.00 N ATOM 874 CA ALA A 56 5.806 -0.807 -13.138 1.00 0.00 C ATOM 875 C ALA A 56 6.481 -1.475 -14.379 1.00 0.00 C ATOM 876 O ALA A 56 6.191 -2.629 -14.701 1.00 0.00 O ATOM 877 CB ALA A 56 4.684 0.097 -13.687 1.00 0.00 C ATOM 0 H ALA A 56 6.527 0.918 -12.141 1.00 0.00 H new ATOM 0 HA ALA A 56 5.414 -1.591 -12.490 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.041 -0.483 -14.349 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.094 0.488 -12.858 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.123 0.925 -14.243 1.00 0.00 H new ATOM 883 N MET A 57 7.406 -0.756 -15.039 1.00 0.00 N ATOM 884 CA MET A 57 8.253 -1.296 -16.140 1.00 0.00 C ATOM 885 C MET A 57 9.260 -2.412 -15.693 1.00 0.00 C ATOM 886 O MET A 57 9.433 -3.380 -16.437 1.00 0.00 O ATOM 887 CB MET A 57 8.999 -0.131 -16.814 1.00 0.00 C ATOM 888 CG MET A 57 8.236 0.514 -17.995 1.00 0.00 C ATOM 889 SD MET A 57 6.479 0.904 -17.698 1.00 0.00 S ATOM 890 CE MET A 57 6.237 1.941 -19.162 1.00 0.00 C ATOM 0 H MET A 57 7.595 0.224 -14.829 1.00 0.00 H new ATOM 0 HA MET A 57 7.581 -1.786 -16.844 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.203 0.636 -16.066 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.963 -0.491 -17.173 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.749 1.434 -18.273 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.298 -0.157 -18.851 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.185 2.212 -19.246 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.839 2.845 -19.071 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.542 1.391 -20.052 1.00 0.00 H new ATOM 900 N ARG A 58 9.893 -2.320 -14.503 1.00 0.00 N ATOM 901 CA ARG A 58 10.689 -3.444 -13.914 1.00 0.00 C ATOM 902 C ARG A 58 9.845 -4.757 -13.698 1.00 0.00 C ATOM 903 O ARG A 58 10.274 -5.814 -14.166 1.00 0.00 O ATOM 904 CB ARG A 58 11.254 -3.091 -12.518 1.00 0.00 C ATOM 905 CG ARG A 58 12.296 -1.964 -12.516 1.00 0.00 C ATOM 906 CD ARG A 58 12.645 -1.532 -11.085 1.00 0.00 C ATOM 907 NE ARG A 58 13.623 -0.394 -11.129 1.00 0.00 N ATOM 908 CZ ARG A 58 13.926 0.363 -10.029 1.00 0.00 C ATOM 909 NH1 ARG A 58 13.315 0.130 -8.829 1.00 0.00 N ATOM 910 NH2 ARG A 58 14.856 1.359 -10.132 1.00 0.00 N ATOM 0 H ARG A 58 9.874 -1.481 -13.923 1.00 0.00 H new ATOM 0 HA ARG A 58 11.482 -3.608 -14.644 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.427 -2.805 -11.868 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.704 -3.985 -12.086 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.198 -2.299 -13.028 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.912 -1.109 -13.073 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.742 -1.229 -10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.071 -2.371 -10.535 1.00 0.00 H new ATOM 0 HE ARG A 58 14.080 -0.176 -12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.624 -0.615 -8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.550 0.701 -8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.319 1.534 -11.024 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.087 1.927 -9.317 1.00 0.00 H new ATOM 924 N ALA A 59 8.655 -4.702 -13.047 1.00 0.00 N ATOM 925 CA ALA A 59 7.715 -5.862 -13.004 1.00 0.00 C ATOM 926 C ALA A 59 7.113 -6.356 -14.371 1.00 0.00 C ATOM 927 O ALA A 59 6.981 -7.566 -14.555 1.00 0.00 O ATOM 928 CB ALA A 59 6.507 -5.543 -12.103 1.00 0.00 C ATOM 0 H ALA A 59 8.322 -3.877 -12.548 1.00 0.00 H new ATOM 0 HA ALA A 59 8.356 -6.661 -12.631 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.832 -6.399 -12.083 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.854 -5.330 -11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.979 -4.674 -12.496 1.00 0.00 H new ATOM 934 N LEU A 60 6.741 -5.461 -15.307 1.00 0.00 N ATOM 935 CA LEU A 60 6.146 -5.830 -16.628 1.00 0.00 C ATOM 936 C LEU A 60 7.159 -6.285 -17.726 1.00 0.00 C ATOM 937 O LEU A 60 6.825 -7.166 -18.518 1.00 0.00 O ATOM 938 CB LEU A 60 5.357 -4.599 -17.156 1.00 0.00 C ATOM 939 CG LEU A 60 4.530 -4.787 -18.451 1.00 0.00 C ATOM 940 CD1 LEU A 60 3.247 -3.931 -18.415 1.00 0.00 C ATOM 941 CD2 LEU A 60 5.325 -4.473 -19.731 1.00 0.00 C ATOM 0 H LEU A 60 6.841 -4.454 -15.177 1.00 0.00 H new ATOM 0 HA LEU A 60 5.518 -6.701 -16.442 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.680 -4.270 -16.368 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.068 -3.790 -17.324 1.00 0.00 H new ATOM 0 HG LEU A 60 4.267 -5.844 -18.485 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.684 -4.081 -19.336 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.635 -4.228 -17.563 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.514 -2.879 -18.320 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.687 -4.625 -20.602 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.663 -3.437 -19.705 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.189 -5.135 -19.794 1.00 0.00 H new ATOM 953 N GLY A 61 8.360 -5.684 -17.823 1.00 0.00 N ATOM 954 CA GLY A 61 9.385 -6.070 -18.828 1.00 0.00 C ATOM 955 C GLY A 61 9.867 -7.540 -18.818 1.00 0.00 C ATOM 956 O GLY A 61 9.787 -8.207 -19.850 1.00 0.00 O ATOM 0 H GLY A 61 8.652 -4.920 -17.213 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.986 -5.852 -19.819 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.255 -5.428 -18.687 1.00 0.00 H new ATOM 960 N PHE A 62 10.374 -8.007 -17.661 1.00 0.00 N ATOM 961 CA PHE A 62 10.868 -9.404 -17.413 1.00 0.00 C ATOM 962 C PHE A 62 12.161 -9.725 -18.226 1.00 0.00 C ATOM 963 O PHE A 62 13.263 -9.800 -17.677 1.00 0.00 O ATOM 964 CB PHE A 62 9.846 -10.544 -17.706 1.00 0.00 C ATOM 965 CG PHE A 62 8.603 -10.452 -16.863 1.00 0.00 C ATOM 966 CD1 PHE A 62 8.631 -10.808 -15.502 1.00 0.00 C ATOM 967 CD2 PHE A 62 7.376 -10.088 -17.444 1.00 0.00 C ATOM 968 CE1 PHE A 62 7.454 -10.806 -14.742 1.00 0.00 C ATOM 969 CE2 PHE A 62 6.199 -10.079 -16.685 1.00 0.00 C ATOM 970 CZ PHE A 62 6.237 -10.446 -15.334 1.00 0.00 C ATOM 0 H PHE A 62 10.460 -7.414 -16.836 1.00 0.00 H new ATOM 0 HA PHE A 62 11.059 -9.395 -16.340 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.567 -10.512 -18.759 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.325 -11.507 -17.532 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.567 -11.085 -15.040 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.340 -9.812 -18.488 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.485 -11.082 -13.698 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.264 -9.790 -17.141 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.329 -10.451 -14.749 1.00 0.00 H new ATOM 980 N GLU A 63 11.989 -9.936 -19.515 1.00 0.00 N ATOM 981 CA GLU A 63 13.003 -10.456 -20.453 1.00 0.00 C ATOM 982 C GLU A 63 12.724 -9.759 -21.823 1.00 0.00 C ATOM 983 O GLU A 63 12.123 -10.490 -22.628 1.00 0.00 O ATOM 984 CB GLU A 63 12.984 -11.995 -20.641 1.00 0.00 C ATOM 985 CG GLU A 63 13.410 -12.770 -19.380 1.00 0.00 C ATOM 986 CD GLU A 63 13.517 -14.258 -19.700 1.00 0.00 C ATOM 987 OE1 GLU A 63 14.356 -14.614 -20.571 1.00 0.00 O ATOM 988 OE2 GLU A 63 12.770 -15.057 -19.077 1.00 0.00 O ATOM 0 H GLU A 63 11.099 -9.745 -19.975 1.00 0.00 H new ATOM 0 HA GLU A 63 13.990 -10.238 -20.045 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.980 -12.306 -20.928 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.647 -12.261 -21.464 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.368 -12.396 -19.019 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.685 -12.611 -18.582 1.00 0.00 H new ATOM 995 N PRO A 64 13.074 -8.480 -22.269 1.00 0.00 N ATOM 996 CA PRO A 64 12.467 -8.001 -23.540 1.00 0.00 C ATOM 997 C PRO A 64 13.455 -7.821 -24.744 1.00 0.00 C ATOM 998 O PRO A 64 14.598 -8.291 -24.722 1.00 0.00 O ATOM 999 CB PRO A 64 11.978 -6.606 -23.102 1.00 0.00 C ATOM 1000 CG PRO A 64 13.042 -6.116 -22.109 1.00 0.00 C ATOM 1001 CD PRO A 64 13.403 -7.393 -21.349 1.00 0.00 C ATOM 0 HA PRO A 64 11.732 -8.712 -23.918 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.890 -5.931 -23.954 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.995 -6.659 -22.635 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.906 -5.690 -22.619 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.652 -5.345 -21.444 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.459 -7.408 -21.080 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.837 -7.475 -20.421 1.00 0.00 H new ATOM 1009 N LYS A 65 12.981 -7.191 -25.835 1.00 0.00 N ATOM 1010 CA LYS A 65 13.729 -7.145 -27.123 1.00 0.00 C ATOM 1011 C LYS A 65 14.941 -6.151 -27.097 1.00 0.00 C ATOM 1012 O LYS A 65 16.077 -6.623 -26.986 1.00 0.00 O ATOM 1013 CB LYS A 65 12.776 -6.776 -28.289 1.00 0.00 C ATOM 1014 CG LYS A 65 13.382 -6.810 -29.706 1.00 0.00 C ATOM 1015 CD LYS A 65 12.451 -6.197 -30.771 1.00 0.00 C ATOM 1016 CE LYS A 65 12.744 -4.725 -31.133 1.00 0.00 C ATOM 1017 NZ LYS A 65 12.734 -3.821 -29.964 1.00 0.00 N ATOM 0 H LYS A 65 12.085 -6.705 -25.859 1.00 0.00 H new ATOM 0 HA LYS A 65 14.137 -8.144 -27.276 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.926 -7.458 -28.264 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.386 -5.774 -28.108 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.329 -6.270 -29.704 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.605 -7.842 -29.976 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.518 -6.798 -31.678 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.423 -6.269 -30.416 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.717 -4.665 -31.621 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.003 -4.382 -31.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.631 -2.838 -30.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.938 -4.067 -29.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.627 -3.922 -29.440 1.00 0.00 H new ATOM 1031 N LYS A 66 14.744 -4.828 -27.267 1.00 0.00 N ATOM 1032 CA LYS A 66 15.845 -3.816 -27.265 1.00 0.00 C ATOM 1033 C LYS A 66 15.284 -2.470 -26.701 1.00 0.00 C ATOM 1034 O LYS A 66 15.375 -2.213 -25.498 1.00 0.00 O ATOM 1035 CB LYS A 66 16.466 -3.549 -28.668 1.00 0.00 C ATOM 1036 CG LYS A 66 17.323 -4.701 -29.228 1.00 0.00 C ATOM 1037 CD LYS A 66 18.665 -4.900 -28.500 1.00 0.00 C ATOM 1038 CE LYS A 66 19.303 -6.275 -28.754 1.00 0.00 C ATOM 1039 NZ LYS A 66 18.617 -7.338 -27.979 1.00 0.00 N ATOM 0 H LYS A 66 13.820 -4.420 -27.410 1.00 0.00 H new ATOM 0 HA LYS A 66 16.643 -4.224 -26.644 1.00 0.00 H new ATOM 0 HB2 LYS A 66 15.661 -3.339 -29.372 1.00 0.00 H new ATOM 0 HB3 LYS A 66 17.082 -2.651 -28.612 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.750 -5.627 -29.170 1.00 0.00 H new ATOM 0 HG3 LYS A 66 17.519 -4.513 -30.284 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.360 -4.122 -28.817 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.510 -4.773 -27.429 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.256 -6.509 -29.817 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.358 -6.245 -28.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.485 -8.176 -28.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.195 -7.593 -27.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.690 -6.991 -27.660 1.00 0.00 H new ATOM 1053 N GLU A 67 14.698 -1.622 -27.565 1.00 0.00 N ATOM 1054 CA GLU A 67 14.176 -0.277 -27.202 1.00 0.00 C ATOM 1055 C GLU A 67 12.683 -0.291 -26.720 1.00 0.00 C ATOM 1056 O GLU A 67 11.799 0.296 -27.355 1.00 0.00 O ATOM 1057 CB GLU A 67 14.440 0.765 -28.334 1.00 0.00 C ATOM 1058 CG GLU A 67 13.635 0.712 -29.663 1.00 0.00 C ATOM 1059 CD GLU A 67 13.434 -0.692 -30.219 1.00 0.00 C ATOM 1060 OE1 GLU A 67 14.432 -1.445 -30.367 1.00 0.00 O ATOM 1061 OE2 GLU A 67 12.259 -1.067 -30.483 1.00 0.00 O ATOM 0 H GLU A 67 14.568 -1.848 -28.551 1.00 0.00 H new ATOM 0 HA GLU A 67 14.745 0.046 -26.330 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.283 1.754 -27.903 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.496 0.695 -28.595 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.659 1.169 -29.501 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.150 1.316 -30.410 1.00 0.00 H new ATOM 1068 N GLU A 68 12.401 -0.923 -25.562 1.00 0.00 N ATOM 1069 CA GLU A 68 11.009 -1.075 -25.054 1.00 0.00 C ATOM 1070 C GLU A 68 10.774 -0.362 -23.701 1.00 0.00 C ATOM 1071 O GLU A 68 9.982 0.580 -23.635 1.00 0.00 O ATOM 1072 CB GLU A 68 10.647 -2.568 -24.786 1.00 0.00 C ATOM 1073 CG GLU A 68 10.061 -3.352 -25.980 1.00 0.00 C ATOM 1074 CD GLU A 68 11.030 -3.485 -27.143 1.00 0.00 C ATOM 1075 OE1 GLU A 68 12.240 -3.729 -26.904 1.00 0.00 O ATOM 1076 OE2 GLU A 68 10.572 -3.370 -28.313 1.00 0.00 O ATOM 0 H GLU A 68 13.111 -1.337 -24.958 1.00 0.00 H new ATOM 0 HA GLU A 68 10.395 -0.635 -25.840 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.546 -3.083 -24.446 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.929 -2.605 -23.967 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.768 -4.347 -25.644 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.156 -2.852 -26.325 1.00 0.00 H new ATOM 1083 N ILE A 69 11.497 -0.744 -22.638 1.00 0.00 N ATOM 1084 CA ILE A 69 11.229 -0.220 -21.264 1.00 0.00 C ATOM 1085 C ILE A 69 11.867 1.212 -21.082 1.00 0.00 C ATOM 1086 O ILE A 69 11.199 2.151 -20.631 1.00 0.00 O ATOM 1087 CB ILE A 69 11.855 -1.205 -20.278 1.00 0.00 C ATOM 1088 CG1 ILE A 69 11.104 -2.566 -20.301 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.982 -0.590 -18.871 1.00 0.00 C ATOM 1090 CD1 ILE A 69 9.623 -2.510 -19.906 1.00 0.00 C ATOM 0 H ILE A 69 12.269 -1.408 -22.688 1.00 0.00 H new ATOM 0 HA ILE A 69 10.157 -0.125 -21.093 1.00 0.00 H new ATOM 0 HB ILE A 69 12.876 -1.417 -20.597 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.179 -2.985 -21.304 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.616 -3.255 -19.629 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.431 -1.318 -18.195 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.612 0.299 -18.918 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.993 -0.315 -18.503 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.195 -3.511 -19.955 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.532 -2.126 -18.890 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.088 -1.853 -20.592 1.00 0.00 H new ATOM 1102 N LYS A 70 13.143 1.373 -21.506 1.00 0.00 N ATOM 1103 CA LYS A 70 13.830 2.690 -21.618 1.00 0.00 C ATOM 1104 C LYS A 70 13.136 3.695 -22.612 1.00 0.00 C ATOM 1105 O LYS A 70 13.027 4.881 -22.297 1.00 0.00 O ATOM 1106 CB LYS A 70 15.303 2.514 -22.069 1.00 0.00 C ATOM 1107 CG LYS A 70 16.146 3.801 -22.017 1.00 0.00 C ATOM 1108 CD LYS A 70 17.611 3.588 -22.435 1.00 0.00 C ATOM 1109 CE LYS A 70 18.425 4.892 -22.410 1.00 0.00 C ATOM 1110 NZ LYS A 70 19.830 4.669 -22.834 1.00 0.00 N ATOM 0 H LYS A 70 13.733 0.588 -21.783 1.00 0.00 H new ATOM 0 HA LYS A 70 13.773 3.115 -20.616 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.775 1.760 -21.439 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.314 2.129 -23.089 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.695 4.549 -22.669 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.120 4.203 -21.004 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.074 2.861 -21.767 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.641 3.164 -23.439 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.958 5.625 -23.068 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.410 5.311 -21.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.349 5.570 -22.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.283 3.988 -22.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.844 4.293 -23.803 1.00 0.00 H new ATOM 1124 N LYS A 71 12.659 3.213 -23.779 1.00 0.00 N ATOM 1125 CA LYS A 71 11.864 4.010 -24.751 1.00 0.00 C ATOM 1126 C LYS A 71 10.512 4.567 -24.188 1.00 0.00 C ATOM 1127 O LYS A 71 10.310 5.775 -24.297 1.00 0.00 O ATOM 1128 CB LYS A 71 11.597 3.179 -26.031 1.00 0.00 C ATOM 1129 CG LYS A 71 11.124 3.931 -27.296 1.00 0.00 C ATOM 1130 CD LYS A 71 9.607 4.179 -27.383 1.00 0.00 C ATOM 1131 CE LYS A 71 9.076 4.399 -28.810 1.00 0.00 C ATOM 1132 NZ LYS A 71 9.622 5.625 -29.431 1.00 0.00 N ATOM 0 H LYS A 71 12.814 2.251 -24.080 1.00 0.00 H new ATOM 0 HA LYS A 71 12.474 4.884 -24.979 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.515 2.647 -26.282 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.847 2.425 -25.790 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.636 4.892 -27.340 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.434 3.364 -28.174 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.087 3.328 -26.943 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.359 5.051 -26.778 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.332 3.538 -29.427 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.988 4.461 -28.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.775 5.461 -30.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.949 6.408 -29.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.526 5.870 -28.979 1.00 0.00 H new ATOM 1146 N MET A 72 9.628 3.766 -23.546 1.00 0.00 N ATOM 1147 CA MET A 72 8.432 4.315 -22.824 1.00 0.00 C ATOM 1148 C MET A 72 8.789 5.383 -21.721 1.00 0.00 C ATOM 1149 O MET A 72 8.246 6.495 -21.788 1.00 0.00 O ATOM 1150 CB MET A 72 7.551 3.232 -22.148 1.00 0.00 C ATOM 1151 CG MET A 72 6.407 2.657 -23.018 1.00 0.00 C ATOM 1152 SD MET A 72 6.723 1.101 -23.912 1.00 0.00 S ATOM 1153 CE MET A 72 7.405 1.798 -25.438 1.00 0.00 C ATOM 0 H MET A 72 9.709 2.750 -23.507 1.00 0.00 H new ATOM 0 HA MET A 72 7.872 4.790 -23.629 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.194 2.409 -21.837 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.116 3.657 -21.243 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.541 2.504 -22.374 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.130 3.415 -23.751 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.675 1.699 -26.241 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.636 2.852 -25.285 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.315 1.262 -25.708 1.00 0.00 H new ATOM 1163 N ILE A 73 9.692 5.094 -20.744 1.00 0.00 N ATOM 1164 CA ILE A 73 10.021 6.074 -19.647 1.00 0.00 C ATOM 1165 C ILE A 73 10.699 7.392 -20.165 1.00 0.00 C ATOM 1166 O ILE A 73 10.291 8.476 -19.746 1.00 0.00 O ATOM 1167 CB ILE A 73 10.930 5.436 -18.592 1.00 0.00 C ATOM 1168 CG1 ILE A 73 10.309 4.142 -17.998 1.00 0.00 C ATOM 1169 CG2 ILE A 73 11.291 6.438 -17.470 1.00 0.00 C ATOM 1170 CD1 ILE A 73 8.987 4.340 -17.250 1.00 0.00 C ATOM 0 H ILE A 73 10.201 4.212 -20.685 1.00 0.00 H new ATOM 0 HA ILE A 73 9.061 6.344 -19.208 1.00 0.00 H new ATOM 0 HB ILE A 73 11.852 5.155 -19.101 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.147 3.430 -18.808 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.030 3.691 -17.316 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.937 5.950 -16.740 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.812 7.294 -17.900 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.379 6.777 -16.978 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.635 3.380 -16.873 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.140 5.023 -16.415 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.244 4.758 -17.929 1.00 0.00 H new ATOM 1182 N SER A 74 11.686 7.320 -21.081 1.00 0.00 N ATOM 1183 CA SER A 74 12.288 8.524 -21.717 1.00 0.00 C ATOM 1184 C SER A 74 11.394 9.306 -22.740 1.00 0.00 C ATOM 1185 O SER A 74 11.623 10.507 -22.922 1.00 0.00 O ATOM 1186 CB SER A 74 13.612 8.128 -22.428 1.00 0.00 C ATOM 1187 OG SER A 74 14.427 9.251 -22.761 1.00 0.00 O ATOM 0 H SER A 74 12.089 6.440 -21.402 1.00 0.00 H new ATOM 0 HA SER A 74 12.438 9.212 -20.885 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.177 7.456 -21.782 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.378 7.575 -23.337 1.00 0.00 H new ATOM 0 HG SER A 74 15.245 8.942 -23.203 1.00 0.00 H new ATOM 1193 N GLU A 75 10.418 8.675 -23.427 1.00 0.00 N ATOM 1194 CA GLU A 75 9.504 9.365 -24.376 1.00 0.00 C ATOM 1195 C GLU A 75 8.323 10.126 -23.697 1.00 0.00 C ATOM 1196 O GLU A 75 7.994 11.218 -24.166 1.00 0.00 O ATOM 1197 CB GLU A 75 8.946 8.366 -25.410 1.00 0.00 C ATOM 1198 CG GLU A 75 8.242 9.007 -26.617 1.00 0.00 C ATOM 1199 CD GLU A 75 8.133 7.951 -27.707 1.00 0.00 C ATOM 1200 OE1 GLU A 75 7.444 6.922 -27.488 1.00 0.00 O ATOM 1201 OE2 GLU A 75 8.794 8.121 -28.768 1.00 0.00 O ATOM 0 H GLU A 75 10.238 7.675 -23.343 1.00 0.00 H new ATOM 0 HA GLU A 75 10.116 10.123 -24.865 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.766 7.746 -25.773 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.242 7.702 -24.908 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.253 9.368 -26.335 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.806 9.868 -26.975 1.00 0.00 H new ATOM 1208 N ILE A 76 7.692 9.612 -22.616 1.00 0.00 N ATOM 1209 CA ILE A 76 6.671 10.400 -21.845 1.00 0.00 C ATOM 1210 C ILE A 76 7.283 11.438 -20.826 1.00 0.00 C ATOM 1211 O ILE A 76 6.573 12.366 -20.428 1.00 0.00 O ATOM 1212 CB ILE A 76 5.635 9.465 -21.228 1.00 0.00 C ATOM 1213 CG1 ILE A 76 5.213 8.421 -22.301 1.00 0.00 C ATOM 1214 CG2 ILE A 76 4.420 10.275 -20.732 1.00 0.00 C ATOM 1215 CD1 ILE A 76 3.925 7.661 -21.981 1.00 0.00 C ATOM 0 H ILE A 76 7.859 8.673 -22.254 1.00 0.00 H new ATOM 0 HA ILE A 76 6.153 11.039 -22.561 1.00 0.00 H new ATOM 0 HB ILE A 76 6.058 8.946 -20.368 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.090 8.931 -23.256 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.022 7.701 -22.426 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.686 9.599 -20.293 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.745 10.995 -19.981 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.969 10.805 -21.571 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.710 6.956 -22.784 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.046 7.118 -21.044 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.100 8.367 -21.887 1.00 0.00 H new ATOM 1227 N ASP A 77 8.556 11.296 -20.407 1.00 0.00 N ATOM 1228 CA ASP A 77 9.291 12.341 -19.619 1.00 0.00 C ATOM 1229 C ASP A 77 9.863 13.441 -20.589 1.00 0.00 C ATOM 1230 O ASP A 77 11.032 13.386 -20.988 1.00 0.00 O ATOM 1231 CB ASP A 77 10.437 11.665 -18.811 1.00 0.00 C ATOM 1232 CG ASP A 77 11.031 12.531 -17.699 1.00 0.00 C ATOM 1233 OD1 ASP A 77 10.623 13.711 -17.553 1.00 0.00 O ATOM 1234 OD2 ASP A 77 11.900 11.996 -16.959 1.00 0.00 O ATOM 0 H ASP A 77 9.113 10.463 -20.597 1.00 0.00 H new ATOM 0 HA ASP A 77 8.607 12.825 -18.922 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.058 10.742 -18.371 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.234 11.386 -19.500 1.00 0.00 H new ATOM 1239 N LYS A 78 9.020 14.421 -21.008 1.00 0.00 N ATOM 1240 CA LYS A 78 9.379 15.383 -22.093 1.00 0.00 C ATOM 1241 C LYS A 78 8.968 16.878 -21.863 1.00 0.00 C ATOM 1242 O LYS A 78 9.832 17.752 -21.782 1.00 0.00 O ATOM 1243 CB LYS A 78 8.810 14.935 -23.474 1.00 0.00 C ATOM 1244 CG LYS A 78 9.898 14.766 -24.550 1.00 0.00 C ATOM 1245 CD LYS A 78 10.617 13.411 -24.465 1.00 0.00 C ATOM 1246 CE LYS A 78 11.959 13.367 -25.203 1.00 0.00 C ATOM 1247 NZ LYS A 78 12.549 12.010 -25.126 1.00 0.00 N ATOM 0 H LYS A 78 8.090 14.568 -20.615 1.00 0.00 H new ATOM 0 HA LYS A 78 10.469 15.355 -22.077 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.278 13.991 -23.352 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.081 15.670 -23.815 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.446 14.871 -25.536 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.630 15.567 -24.448 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.783 13.165 -23.416 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.964 12.639 -24.874 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.817 13.649 -26.246 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.645 14.093 -24.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.582 12.085 -25.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.159 11.508 -24.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.321 11.483 -25.993 1.00 0.00 H new ATOM 1261 N GLU A 79 7.662 17.171 -21.832 1.00 0.00 N ATOM 1262 CA GLU A 79 7.087 18.550 -21.837 1.00 0.00 C ATOM 1263 C GLU A 79 6.833 19.064 -20.388 1.00 0.00 C ATOM 1264 O GLU A 79 7.342 20.124 -20.017 1.00 0.00 O ATOM 1265 CB GLU A 79 5.802 18.720 -22.701 1.00 0.00 C ATOM 1266 CG GLU A 79 5.155 17.425 -23.229 1.00 0.00 C ATOM 1267 CD GLU A 79 4.696 16.566 -22.065 1.00 0.00 C ATOM 1268 OE1 GLU A 79 3.860 17.045 -21.251 1.00 0.00 O ATOM 1269 OE2 GLU A 79 5.230 15.433 -21.920 1.00 0.00 O ATOM 0 H GLU A 79 6.945 16.446 -21.802 1.00 0.00 H new ATOM 0 HA GLU A 79 7.850 19.163 -22.316 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.060 19.255 -22.108 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.045 19.353 -23.554 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.308 17.667 -23.870 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.870 16.874 -23.840 1.00 0.00 H new ATOM 1276 N GLY A 80 6.027 18.340 -19.592 1.00 0.00 N ATOM 1277 CA GLY A 80 5.892 18.608 -18.135 1.00 0.00 C ATOM 1278 C GLY A 80 6.426 17.447 -17.267 1.00 0.00 C ATOM 1279 O GLY A 80 5.765 17.000 -16.330 1.00 0.00 O ATOM 0 H GLY A 80 5.456 17.563 -19.926 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.432 19.522 -17.886 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.843 18.782 -17.897 1.00 0.00 H new ATOM 1283 N THR A 81 7.635 16.972 -17.620 1.00 0.00 N ATOM 1284 CA THR A 81 8.277 15.735 -17.100 1.00 0.00 C ATOM 1285 C THR A 81 7.343 14.493 -17.346 1.00 0.00 C ATOM 1286 O THR A 81 6.526 14.473 -18.277 1.00 0.00 O ATOM 1287 CB THR A 81 8.827 15.846 -15.679 1.00 0.00 C ATOM 1288 OG1 THR A 81 7.798 16.016 -14.709 1.00 0.00 O ATOM 1289 CG2 THR A 81 9.810 17.034 -15.604 1.00 0.00 C ATOM 0 H THR A 81 8.220 17.454 -18.302 1.00 0.00 H new ATOM 0 HA THR A 81 9.186 15.578 -17.680 1.00 0.00 H new ATOM 0 HB THR A 81 9.338 14.911 -15.449 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.975 16.308 -15.153 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.205 17.116 -14.591 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.632 16.871 -16.301 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.289 17.955 -15.866 1.00 0.00 H new ATOM 1297 N GLY A 82 7.504 13.435 -16.559 1.00 0.00 N ATOM 1298 CA GLY A 82 6.860 12.132 -16.817 1.00 0.00 C ATOM 1299 C GLY A 82 5.627 11.811 -15.969 1.00 0.00 C ATOM 1300 O GLY A 82 5.687 11.436 -14.798 1.00 0.00 O ATOM 0 H GLY A 82 8.084 13.447 -15.720 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.573 12.093 -17.868 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.599 11.347 -16.659 1.00 0.00 H new ATOM 1304 N LYS A 83 4.513 11.909 -16.674 1.00 0.00 N ATOM 1305 CA LYS A 83 3.179 11.453 -16.200 1.00 0.00 C ATOM 1306 C LYS A 83 2.501 10.587 -17.303 1.00 0.00 C ATOM 1307 O LYS A 83 2.527 10.919 -18.494 1.00 0.00 O ATOM 1308 CB LYS A 83 2.221 12.587 -15.741 1.00 0.00 C ATOM 1309 CG LYS A 83 1.657 13.560 -16.804 1.00 0.00 C ATOM 1310 CD LYS A 83 2.671 14.504 -17.479 1.00 0.00 C ATOM 1311 CE LYS A 83 3.056 14.079 -18.906 1.00 0.00 C ATOM 1312 NZ LYS A 83 4.100 14.955 -19.453 1.00 0.00 N ATOM 0 H LYS A 83 4.489 12.312 -17.611 1.00 0.00 H new ATOM 0 HA LYS A 83 3.369 10.864 -15.303 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.374 12.121 -15.238 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.747 13.182 -14.995 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.170 12.971 -17.581 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.885 14.169 -16.334 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.253 15.510 -17.509 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.572 14.552 -16.868 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.409 13.048 -18.899 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.176 14.111 -19.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.390 14.607 -20.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.729 15.923 -19.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.921 14.957 -18.815 1.00 0.00 H new ATOM 1326 N MET A 84 1.881 9.477 -16.883 1.00 0.00 N ATOM 1327 CA MET A 84 1.167 8.551 -17.796 1.00 0.00 C ATOM 1328 C MET A 84 -0.264 8.270 -17.252 1.00 0.00 C ATOM 1329 O MET A 84 -0.429 7.898 -16.085 1.00 0.00 O ATOM 1330 CB MET A 84 1.949 7.223 -17.899 1.00 0.00 C ATOM 1331 CG MET A 84 1.547 6.312 -19.066 1.00 0.00 C ATOM 1332 SD MET A 84 2.352 4.688 -19.002 1.00 0.00 S ATOM 1333 CE MET A 84 3.058 4.570 -20.668 1.00 0.00 C ATOM 0 H MET A 84 1.855 9.189 -15.905 1.00 0.00 H new ATOM 0 HA MET A 84 1.092 9.008 -18.783 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.011 7.452 -17.988 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.819 6.671 -16.968 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.465 6.177 -19.059 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.801 6.801 -20.006 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.034 3.532 -21.000 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.475 5.184 -21.354 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.089 4.923 -20.652 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.277 8.365 -18.126 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.666 7.909 -17.804 1.00 0.00 C ATOM 1345 C ASN A 85 -2.875 6.484 -18.437 1.00 0.00 C ATOM 1346 O ASN A 85 -2.021 5.930 -19.145 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.682 8.914 -18.444 1.00 0.00 C ATOM 1348 CG ASN A 85 -5.173 8.552 -18.316 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -5.822 8.249 -19.325 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -5.706 8.547 -17.061 1.00 0.00 N ATOM 0 H ASN A 85 -1.175 8.751 -19.065 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.820 7.866 -16.726 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.527 9.893 -17.989 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.444 9.013 -19.503 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.682 8.285 -16.922 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.129 8.805 -16.261 1.00 0.00 H new ATOM 1357 N PHE A 86 -4.001 5.826 -18.118 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.240 4.418 -18.563 1.00 0.00 C ATOM 1359 C PHE A 86 -4.456 4.276 -20.104 1.00 0.00 C ATOM 1360 O PHE A 86 -3.999 3.278 -20.665 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.499 3.850 -17.846 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.670 2.362 -18.044 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.847 1.464 -17.347 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -6.649 1.849 -18.913 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -5.004 0.081 -17.499 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -6.802 0.466 -19.079 1.00 0.00 C ATOM 1367 CZ PHE A 86 -5.981 -0.419 -18.369 1.00 0.00 C ATOM 0 H PHE A 86 -4.757 6.227 -17.563 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.339 3.863 -18.302 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.430 4.063 -16.779 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.385 4.365 -18.218 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.083 1.844 -16.685 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.289 2.527 -19.458 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.373 -0.599 -16.946 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.553 0.083 -19.754 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.101 -1.485 -18.492 1.00 0.00 H new ATOM 1377 N GLY A 87 -5.097 5.243 -20.793 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.131 5.268 -22.283 1.00 0.00 C ATOM 1379 C GLY A 87 -3.729 5.282 -22.971 1.00 0.00 C ATOM 1380 O GLY A 87 -3.522 4.528 -23.924 1.00 0.00 O ATOM 0 H GLY A 87 -5.597 6.015 -20.352 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.684 4.397 -22.634 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.687 6.149 -22.605 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.756 6.063 -22.445 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.327 5.999 -22.871 1.00 0.00 C ATOM 1386 C ASP A 88 -0.697 4.589 -22.584 1.00 0.00 C ATOM 1387 O ASP A 88 -0.212 3.947 -23.516 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.426 7.006 -22.105 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.999 8.419 -22.126 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.144 8.991 -23.237 1.00 0.00 O ATOM 1391 OD2 ASP A 88 -1.300 8.940 -21.015 1.00 0.00 O ATOM 0 H ASP A 88 -2.933 6.754 -21.716 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.353 6.228 -23.936 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.312 6.677 -21.072 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.569 7.012 -22.549 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.755 4.094 -21.322 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.203 2.761 -20.922 1.00 0.00 C ATOM 1398 C PHE A 89 -0.795 1.533 -21.686 1.00 0.00 C ATOM 1399 O PHE A 89 -0.033 0.702 -22.185 1.00 0.00 O ATOM 1400 CB PHE A 89 -0.430 2.502 -19.403 1.00 0.00 C ATOM 1401 CG PHE A 89 0.413 1.385 -18.809 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.767 1.179 -19.145 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.158 0.560 -17.826 1.00 0.00 C ATOM 1404 CE1 PHE A 89 2.527 0.196 -18.496 1.00 0.00 C ATOM 1405 CE2 PHE A 89 0.597 -0.420 -17.172 1.00 0.00 C ATOM 1406 CZ PHE A 89 1.943 -0.599 -17.504 1.00 0.00 C ATOM 0 H PHE A 89 -1.184 4.602 -20.549 1.00 0.00 H new ATOM 0 HA PHE A 89 0.853 2.834 -21.181 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.222 3.423 -18.858 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.482 2.267 -19.243 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.224 1.786 -19.912 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.200 0.684 -17.570 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.564 0.052 -18.762 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.141 -1.037 -16.412 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.531 -1.349 -16.996 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.127 1.458 -21.823 1.00 0.00 N ATOM 1417 CA LEU A 90 -2.819 0.449 -22.668 1.00 0.00 C ATOM 1418 C LEU A 90 -2.428 0.491 -24.184 1.00 0.00 C ATOM 1419 O LEU A 90 -1.963 -0.527 -24.708 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.354 0.627 -22.556 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.217 -0.481 -23.204 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -5.006 -1.855 -22.539 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -6.707 -0.088 -23.188 1.00 0.00 C ATOM 0 H LEU A 90 -2.767 2.096 -21.351 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.494 -0.517 -22.282 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.616 0.692 -21.500 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.623 1.581 -23.010 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.890 -0.577 -24.239 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.634 -2.598 -23.031 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.960 -2.147 -22.631 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.274 -1.794 -21.484 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.297 -0.880 -23.648 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.034 0.057 -22.158 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.845 0.838 -23.746 1.00 0.00 H new ATOM 1435 N THR A 91 -2.558 1.644 -24.873 1.00 0.00 N ATOM 1436 CA THR A 91 -2.178 1.775 -26.314 1.00 0.00 C ATOM 1437 C THR A 91 -0.649 1.572 -26.578 1.00 0.00 C ATOM 1438 O THR A 91 -0.299 0.759 -27.439 1.00 0.00 O ATOM 1439 CB THR A 91 -2.658 3.056 -26.986 1.00 0.00 C ATOM 1440 OG1 THR A 91 -2.107 4.219 -26.378 1.00 0.00 O ATOM 1441 CG2 THR A 91 -4.199 3.104 -26.910 1.00 0.00 C ATOM 0 H THR A 91 -2.923 2.504 -24.463 1.00 0.00 H new ATOM 0 HA THR A 91 -2.717 0.951 -26.781 1.00 0.00 H new ATOM 0 HB THR A 91 -2.323 3.047 -28.023 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.555 4.384 -25.522 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.559 4.016 -27.387 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.616 2.237 -27.423 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.512 3.093 -25.866 1.00 0.00 H new ATOM 1449 N VAL A 92 0.252 2.286 -25.874 1.00 0.00 N ATOM 1450 CA VAL A 92 1.730 2.164 -26.089 1.00 0.00 C ATOM 1451 C VAL A 92 2.331 0.769 -25.691 1.00 0.00 C ATOM 1452 O VAL A 92 3.062 0.192 -26.499 1.00 0.00 O ATOM 1453 CB VAL A 92 2.544 3.331 -25.517 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.851 3.194 -24.010 1.00 0.00 C ATOM 1455 CG2 VAL A 92 3.838 3.500 -26.342 1.00 0.00 C ATOM 0 H VAL A 92 -0.006 2.956 -25.149 1.00 0.00 H new ATOM 0 HA VAL A 92 1.832 2.229 -27.172 1.00 0.00 H new ATOM 0 HB VAL A 92 1.931 4.228 -25.600 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.429 4.056 -23.677 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.916 3.146 -23.451 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.424 2.283 -23.837 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.421 4.329 -25.939 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.426 2.584 -26.289 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.583 3.707 -27.381 1.00 0.00 H new ATOM 1465 N MET A 93 2.027 0.215 -24.496 1.00 0.00 N ATOM 1466 CA MET A 93 2.530 -1.133 -24.089 1.00 0.00 C ATOM 1467 C MET A 93 1.922 -2.333 -24.896 1.00 0.00 C ATOM 1468 O MET A 93 2.706 -3.183 -25.337 1.00 0.00 O ATOM 1469 CB MET A 93 2.375 -1.400 -22.578 1.00 0.00 C ATOM 1470 CG MET A 93 3.281 -2.535 -22.066 1.00 0.00 C ATOM 1471 SD MET A 93 5.062 -2.296 -22.399 1.00 0.00 S ATOM 1472 CE MET A 93 5.346 -0.947 -21.217 1.00 0.00 C ATOM 0 H MET A 93 1.441 0.670 -23.796 1.00 0.00 H new ATOM 0 HA MET A 93 3.590 -1.086 -24.337 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.603 -0.486 -22.029 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.336 -1.649 -22.364 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.137 -2.640 -20.991 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.962 -3.471 -22.524 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.417 -0.774 -21.113 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.865 -0.039 -21.579 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.927 -1.218 -20.248 1.00 0.00 H new ATOM 1482 N THR A 94 0.588 -2.409 -25.145 1.00 0.00 N ATOM 1483 CA THR A 94 0.014 -3.452 -26.056 1.00 0.00 C ATOM 1484 C THR A 94 0.548 -3.320 -27.517 1.00 0.00 C ATOM 1485 O THR A 94 1.074 -4.319 -27.997 1.00 0.00 O ATOM 1486 CB THR A 94 -1.503 -3.595 -26.035 1.00 0.00 C ATOM 1487 OG1 THR A 94 -2.187 -2.447 -26.528 1.00 0.00 O ATOM 1488 CG2 THR A 94 -1.974 -3.913 -24.601 1.00 0.00 C ATOM 0 H THR A 94 -0.103 -1.777 -24.740 1.00 0.00 H new ATOM 0 HA THR A 94 0.382 -4.385 -25.629 1.00 0.00 H new ATOM 0 HB THR A 94 -1.751 -4.415 -26.709 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.834 -1.644 -26.091 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.059 -4.015 -24.589 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.518 -4.845 -24.267 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.678 -3.104 -23.933 1.00 0.00 H new ATOM 1496 N GLN A 95 0.455 -2.166 -28.226 1.00 0.00 N ATOM 1497 CA GLN A 95 1.011 -2.053 -29.613 1.00 0.00 C ATOM 1498 C GLN A 95 2.564 -2.255 -29.756 1.00 0.00 C ATOM 1499 O GLN A 95 2.992 -2.747 -30.803 1.00 0.00 O ATOM 1500 CB GLN A 95 0.638 -0.684 -30.243 1.00 0.00 C ATOM 1501 CG GLN A 95 0.958 -0.495 -31.742 1.00 0.00 C ATOM 1502 CD GLN A 95 0.148 -1.464 -32.614 1.00 0.00 C ATOM 1503 OE1 GLN A 95 -0.938 -1.110 -33.086 1.00 0.00 O ATOM 1504 NE2 GLN A 95 0.692 -2.697 -32.833 1.00 0.00 N ATOM 0 H GLN A 95 0.013 -1.316 -27.877 1.00 0.00 H new ATOM 0 HA GLN A 95 0.548 -2.887 -30.141 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.431 -0.525 -30.102 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.153 0.098 -29.685 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.739 0.531 -32.036 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.023 -0.654 -31.911 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.593 -2.938 -32.419 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.198 -3.377 -33.411 1.00 0.00 H new ATOM 1513 N LYS A 96 3.406 -1.899 -28.761 1.00 0.00 N ATOM 1514 CA LYS A 96 4.850 -2.278 -28.773 1.00 0.00 C ATOM 1515 C LYS A 96 5.128 -3.818 -28.601 1.00 0.00 C ATOM 1516 O LYS A 96 6.004 -4.328 -29.305 1.00 0.00 O ATOM 1517 CB LYS A 96 5.640 -1.535 -27.666 1.00 0.00 C ATOM 1518 CG LYS A 96 7.153 -1.412 -27.930 1.00 0.00 C ATOM 1519 CD LYS A 96 7.484 -0.372 -29.016 1.00 0.00 C ATOM 1520 CE LYS A 96 8.985 -0.130 -29.226 1.00 0.00 C ATOM 1521 NZ LYS A 96 9.657 -1.314 -29.800 1.00 0.00 N ATOM 0 H LYS A 96 3.122 -1.356 -27.945 1.00 0.00 H new ATOM 0 HA LYS A 96 5.186 -1.985 -29.768 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.222 -0.535 -27.549 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.491 -2.055 -26.720 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.658 -1.138 -27.004 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.545 -2.383 -28.231 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.045 -0.698 -29.959 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.009 0.573 -28.753 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.126 0.724 -29.888 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.449 0.125 -28.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.539 -1.021 -30.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.875 -1.991 -29.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.031 -1.765 -30.497 1.00 0.00 H new ATOM 1535 N MET A 97 4.427 -4.555 -27.706 1.00 0.00 N ATOM 1536 CA MET A 97 4.536 -6.047 -27.632 1.00 0.00 C ATOM 1537 C MET A 97 3.698 -6.836 -28.707 1.00 0.00 C ATOM 1538 O MET A 97 4.294 -7.593 -29.478 1.00 0.00 O ATOM 1539 CB MET A 97 4.096 -6.559 -26.241 1.00 0.00 C ATOM 1540 CG MET A 97 4.995 -6.035 -25.105 1.00 0.00 C ATOM 1541 SD MET A 97 4.556 -6.690 -23.464 1.00 0.00 S ATOM 1542 CE MET A 97 6.149 -6.291 -22.685 1.00 0.00 C ATOM 0 H MET A 97 3.782 -4.152 -27.026 1.00 0.00 H new ATOM 0 HA MET A 97 5.590 -6.241 -27.831 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.066 -6.254 -26.055 1.00 0.00 H new ATOM 0 HB3 MET A 97 4.111 -7.649 -26.238 1.00 0.00 H new ATOM 0 HG2 MET A 97 6.031 -6.294 -25.325 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.937 -4.947 -25.080 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.132 -6.604 -21.641 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.950 -6.813 -23.208 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.321 -5.216 -22.738 1.00 0.00 H new ATOM 1552 N SER A 98 2.357 -6.707 -28.750 1.00 0.00 N ATOM 1553 CA SER A 98 1.500 -7.233 -29.846 1.00 0.00 C ATOM 1554 C SER A 98 1.473 -6.314 -31.103 1.00 0.00 C ATOM 1555 O SER A 98 2.067 -6.694 -32.143 1.00 0.00 O ATOM 1556 CB SER A 98 0.052 -7.579 -29.414 1.00 0.00 C ATOM 1557 OG SER A 98 -0.608 -6.461 -28.839 1.00 0.00 O ATOM 1558 OXT SER A 98 0.817 -5.242 -31.013 1.00 0.00 O ATOM 0 H SER A 98 1.827 -6.231 -28.020 1.00 0.00 H new ATOM 0 HA SER A 98 1.988 -8.169 -30.117 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.512 -7.929 -30.279 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.073 -8.398 -28.695 1.00 0.00 H new ATOM 0 HG SER A 98 0.043 -5.747 -28.672 1.00 0.00 H new