USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 619 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 Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 168:sc= -1.97 (180deg=-2.25) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 78:sc= 0.266 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 168:sc= -5.16! (180deg=-5.65!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 43 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.42) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 58:sc= 1.13 USER MOD Single : A 52 GLN : amide:sc=-0.00745 X(o=-0.0074,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00602 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 7:sc= -0.708 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 164:sc= -3.34! USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 365 N LYS A 24 -5.326 -12.219 -16.319 1.00 0.00 N ATOM 366 CA LYS A 24 -4.430 -11.099 -16.585 1.00 0.00 C ATOM 367 C LYS A 24 -4.946 -9.822 -15.926 1.00 0.00 C ATOM 368 O LYS A 24 -4.675 -8.717 -16.396 1.00 0.00 O ATOM 369 CB LYS A 24 -4.281 -10.884 -18.093 1.00 0.00 C ATOM 370 CG LYS A 24 -3.131 -11.662 -18.708 1.00 0.00 C ATOM 371 CD LYS A 24 -3.237 -11.708 -20.223 1.00 0.00 C ATOM 372 CE LYS A 24 -3.039 -10.331 -20.838 1.00 0.00 C ATOM 373 NZ LYS A 24 -2.794 -10.408 -22.305 1.00 0.00 N ATOM 0 HA LYS A 24 -3.454 -11.338 -16.161 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.209 -11.173 -18.586 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.135 -9.821 -18.287 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.185 -11.202 -18.422 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.124 -12.677 -18.312 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.490 -12.396 -20.620 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.214 -12.098 -20.509 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.921 -9.719 -20.649 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.197 -9.835 -20.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.664 -9.449 -22.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.938 -10.971 -22.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.608 -10.858 -22.770 1.00 0.00 H new ATOM 387 N HIS A 25 -5.691 -9.982 -14.836 1.00 0.00 N ATOM 388 CA HIS A 25 -6.245 -8.842 -14.115 1.00 0.00 C ATOM 389 C HIS A 25 -5.579 -8.681 -12.751 1.00 0.00 C ATOM 390 O HIS A 25 -5.525 -7.578 -12.205 1.00 0.00 O ATOM 391 CB HIS A 25 -7.757 -9.007 -13.944 1.00 0.00 C ATOM 392 CG HIS A 25 -8.535 -7.775 -14.292 1.00 0.00 C ATOM 393 ND1 HIS A 25 -8.754 -7.365 -15.590 1.00 0.00 N ATOM 394 CD2 HIS A 25 -9.150 -6.862 -13.503 1.00 0.00 C ATOM 395 CE1 HIS A 25 -9.467 -6.252 -15.585 1.00 0.00 C ATOM 396 NE2 HIS A 25 -9.721 -5.928 -14.330 1.00 0.00 N ATOM 0 H HIS A 25 -5.924 -10.890 -14.433 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.048 -7.944 -14.700 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.098 -9.831 -14.570 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.970 -9.282 -12.911 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.185 -6.868 -12.424 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.787 -5.702 -16.458 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.255 -5.115 -14.025 1.00 0.00 H new ATOM 405 N GLU A 26 -5.075 -9.783 -12.205 1.00 0.00 N ATOM 406 CA GLU A 26 -4.414 -9.761 -10.903 1.00 0.00 C ATOM 407 C GLU A 26 -3.284 -8.736 -10.881 1.00 0.00 C ATOM 408 O GLU A 26 -3.089 -8.032 -9.890 1.00 0.00 O ATOM 409 CB GLU A 26 -3.868 -11.148 -10.562 1.00 0.00 C ATOM 410 CG GLU A 26 -4.932 -12.232 -10.538 1.00 0.00 C ATOM 411 CD GLU A 26 -4.344 -13.629 -10.596 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.441 -13.858 -11.429 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.785 -14.493 -9.809 1.00 0.00 O ATOM 0 H GLU A 26 -5.111 -10.703 -12.643 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.152 -9.474 -10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.103 -11.417 -11.291 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.380 -11.108 -9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.528 -12.130 -9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.608 -12.091 -11.381 1.00 0.00 H new ATOM 420 N ILE A 27 -2.541 -8.657 -11.981 1.00 0.00 N ATOM 421 CA ILE A 27 -1.432 -7.717 -12.086 1.00 0.00 C ATOM 422 C ILE A 27 -1.938 -6.300 -12.327 1.00 0.00 C ATOM 423 O ILE A 27 -1.344 -5.329 -11.858 1.00 0.00 O ATOM 424 CB ILE A 27 -0.466 -8.108 -13.221 1.00 0.00 C ATOM 425 CG1 ILE A 27 -0.109 -9.593 -13.131 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.790 -7.253 -13.165 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.487 -10.150 -14.406 1.00 0.00 C ATOM 0 H ILE A 27 -2.687 -9.232 -12.811 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.895 -7.753 -11.138 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.962 -7.931 -14.175 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.598 -9.739 -12.315 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.006 -10.160 -12.881 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.463 -7.541 -13.973 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.520 -6.203 -13.274 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.289 -7.402 -12.207 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.716 -11.207 -14.269 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.227 -10.036 -15.222 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.402 -9.609 -14.646 1.00 0.00 H new ATOM 439 N GLU A 28 -3.041 -6.187 -13.059 1.00 0.00 N ATOM 440 CA GLU A 28 -3.630 -4.889 -13.360 1.00 0.00 C ATOM 441 C GLU A 28 -4.122 -4.208 -12.087 1.00 0.00 C ATOM 442 O GLU A 28 -3.860 -3.027 -11.861 1.00 0.00 O ATOM 443 CB GLU A 28 -4.788 -5.046 -14.348 1.00 0.00 C ATOM 444 CG GLU A 28 -5.202 -3.743 -15.013 1.00 0.00 C ATOM 445 CD GLU A 28 -6.327 -3.929 -16.011 1.00 0.00 C ATOM 446 OE1 GLU A 28 -6.060 -4.443 -17.118 1.00 0.00 O ATOM 447 OE2 GLU A 28 -7.476 -3.562 -15.685 1.00 0.00 O ATOM 0 H GLU A 28 -3.545 -6.980 -13.455 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.859 -4.264 -13.812 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.503 -5.763 -15.118 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.647 -5.466 -13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.514 -3.032 -14.248 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.340 -3.308 -15.520 1.00 0.00 H new ATOM 454 N ALA A 29 -4.835 -4.962 -11.258 1.00 0.00 N ATOM 455 CA ALA A 29 -5.364 -4.433 -10.007 1.00 0.00 C ATOM 456 C ALA A 29 -4.236 -4.046 -9.055 1.00 0.00 C ATOM 457 O ALA A 29 -4.362 -3.097 -8.283 1.00 0.00 O ATOM 458 CB ALA A 29 -6.284 -5.451 -9.350 1.00 0.00 C ATOM 0 H ALA A 29 -5.060 -5.942 -11.430 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.938 -3.535 -10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.672 -5.042 -8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.114 -5.677 -10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.727 -6.364 -9.142 1.00 0.00 H new ATOM 464 N ALA A 30 -3.136 -4.788 -9.119 1.00 0.00 N ATOM 465 CA ALA A 30 -1.986 -4.522 -8.263 1.00 0.00 C ATOM 466 C ALA A 30 -1.453 -3.111 -8.486 1.00 0.00 C ATOM 467 O ALA A 30 -1.085 -2.418 -7.537 1.00 0.00 O ATOM 468 CB ALA A 30 -0.892 -5.548 -8.516 1.00 0.00 C ATOM 0 H ALA A 30 -3.016 -5.577 -9.754 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.309 -4.601 -7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.039 -5.338 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.273 -6.546 -8.301 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.579 -5.496 -9.559 1.00 0.00 H new ATOM 474 N ILE A 31 -1.416 -2.690 -9.746 1.00 0.00 N ATOM 475 CA ILE A 31 -0.930 -1.360 -10.093 1.00 0.00 C ATOM 476 C ILE A 31 -1.897 -0.283 -9.615 1.00 0.00 C ATOM 477 O ILE A 31 -1.480 0.784 -9.164 1.00 0.00 O ATOM 478 CB ILE A 31 -0.724 -1.215 -11.613 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.122 -2.373 -12.149 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.068 0.120 -11.935 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.318 -2.334 -13.649 1.00 0.00 C ATOM 0 H ILE A 31 -1.717 -3.251 -10.543 1.00 0.00 H new ATOM 0 HA ILE A 31 0.030 -1.232 -9.593 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.699 -1.246 -12.100 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.097 -2.355 -11.663 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.353 -3.316 -11.877 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.071 0.207 -13.013 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.705 0.932 -11.584 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.901 0.178 -11.439 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.926 -3.184 -13.959 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.652 -2.383 -14.144 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.821 -1.408 -13.926 1.00 0.00 H new ATOM 493 N VAL A 32 -3.191 -0.568 -9.716 1.00 0.00 N ATOM 494 CA VAL A 32 -4.217 0.377 -9.293 1.00 0.00 C ATOM 495 C VAL A 32 -4.203 0.559 -7.779 1.00 0.00 C ATOM 496 O VAL A 32 -4.429 1.659 -7.274 1.00 0.00 O ATOM 497 CB VAL A 32 -5.620 -0.082 -9.731 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.648 1.004 -9.458 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.619 -0.467 -11.203 1.00 0.00 C ATOM 0 H VAL A 32 -3.554 -1.446 -10.087 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.989 1.328 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.893 -0.962 -9.148 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.633 0.661 -9.774 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.667 1.227 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.382 1.904 -10.012 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.618 -0.789 -11.496 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.324 0.393 -11.804 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.913 -1.282 -11.366 1.00 0.00 H new ATOM 509 N ARG A 33 -3.935 -0.526 -7.061 1.00 0.00 N ATOM 510 CA ARG A 33 -3.891 -0.487 -5.605 1.00 0.00 C ATOM 511 C ARG A 33 -2.725 0.369 -5.120 1.00 0.00 C ATOM 512 O ARG A 33 -2.871 1.168 -4.194 1.00 0.00 O ATOM 513 CB ARG A 33 -3.769 -1.903 -5.039 1.00 0.00 C ATOM 514 CG ARG A 33 -4.553 -2.114 -3.753 1.00 0.00 C ATOM 515 CD ARG A 33 -4.472 -3.557 -3.283 1.00 0.00 C ATOM 516 NE ARG A 33 -4.505 -3.661 -1.826 1.00 0.00 N ATOM 517 CZ ARG A 33 -3.462 -3.405 -1.040 1.00 0.00 C ATOM 518 NH1 ARG A 33 -2.302 -3.032 -1.566 1.00 0.00 N ATOM 519 NH2 ARG A 33 -3.578 -3.523 0.276 1.00 0.00 N ATOM 0 H ARG A 33 -3.745 -1.443 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.820 -0.040 -5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.116 -2.616 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.717 -2.122 -4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.165 -1.455 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.596 -1.840 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.302 -4.123 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.554 -4.009 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.379 -3.947 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.207 -2.940 -2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.506 -2.837 -0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.467 -3.810 0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.778 -3.327 0.878 1.00 0.00 H new ATOM 533 N ILE A 34 -1.569 0.198 -5.753 1.00 0.00 N ATOM 534 CA ILE A 34 -0.378 0.956 -5.388 1.00 0.00 C ATOM 535 C ILE A 34 -0.513 2.418 -5.798 1.00 0.00 C ATOM 536 O ILE A 34 -0.195 3.323 -5.026 1.00 0.00 O ATOM 537 CB ILE A 34 0.888 0.365 -6.039 1.00 0.00 C ATOM 538 CG1 ILE A 34 0.973 -1.139 -5.769 1.00 0.00 C ATOM 539 CG2 ILE A 34 2.132 1.072 -5.521 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.782 -1.893 -6.803 1.00 0.00 C ATOM 0 H ILE A 34 -1.432 -0.459 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.281 0.892 -4.304 1.00 0.00 H new ATOM 0 HB ILE A 34 0.829 0.520 -7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.415 -1.299 -4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.035 -1.552 -5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.017 0.642 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.073 2.134 -5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.198 0.947 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.800 -2.953 -6.549 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.328 -1.763 -7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.801 -1.507 -6.820 1.00 0.00 H new ATOM 552 N MET A 35 -0.989 2.644 -7.019 1.00 0.00 N ATOM 553 CA MET A 35 -1.168 3.997 -7.532 1.00 0.00 C ATOM 554 C MET A 35 -2.197 4.763 -6.705 1.00 0.00 C ATOM 555 O MET A 35 -2.138 5.988 -6.606 1.00 0.00 O ATOM 556 CB MET A 35 -1.604 3.958 -8.998 1.00 0.00 C ATOM 557 CG MET A 35 -0.484 3.611 -9.968 1.00 0.00 C ATOM 558 SD MET A 35 0.983 4.633 -9.745 1.00 0.00 S ATOM 559 CE MET A 35 0.812 5.736 -11.138 1.00 0.00 C ATOM 0 H MET A 35 -1.258 1.907 -7.671 1.00 0.00 H new ATOM 0 HA MET A 35 -0.211 4.514 -7.458 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.406 3.228 -9.109 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.018 4.929 -9.269 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.213 2.563 -9.841 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.847 3.725 -10.989 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.513 6.564 -11.034 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.024 5.194 -12.060 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.206 6.124 -11.172 1.00 0.00 H new ATOM 569 N LYS A 36 -3.138 4.034 -6.115 1.00 0.00 N ATOM 570 CA LYS A 36 -4.180 4.649 -5.301 1.00 0.00 C ATOM 571 C LYS A 36 -3.636 5.075 -3.940 1.00 0.00 C ATOM 572 O LYS A 36 -4.158 5.998 -3.314 1.00 0.00 O ATOM 573 CB LYS A 36 -5.348 3.679 -5.113 1.00 0.00 C ATOM 574 CG LYS A 36 -6.628 4.352 -4.645 1.00 0.00 C ATOM 575 CD LYS A 36 -7.847 3.480 -4.909 1.00 0.00 C ATOM 576 CE LYS A 36 -8.570 3.126 -3.619 1.00 0.00 C ATOM 577 NZ LYS A 36 -9.094 1.732 -3.640 1.00 0.00 N ATOM 0 H LYS A 36 -3.201 3.018 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.532 5.538 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.540 3.168 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.063 2.916 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.558 4.567 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.746 5.307 -5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.531 4.002 -5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.539 2.566 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.889 3.245 -2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.395 3.821 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.580 1.530 -2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.764 1.625 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.305 1.066 -3.764 1.00 0.00 H new ATOM 591 N SER A 37 -2.588 4.396 -3.483 1.00 0.00 N ATOM 592 CA SER A 37 -1.981 4.707 -2.193 1.00 0.00 C ATOM 593 C SER A 37 -0.731 5.565 -2.363 1.00 0.00 C ATOM 594 O SER A 37 -0.378 6.345 -1.477 1.00 0.00 O ATOM 595 CB SER A 37 -1.629 3.418 -1.449 1.00 0.00 C ATOM 596 OG SER A 37 -2.732 2.528 -1.419 1.00 0.00 O ATOM 0 H SER A 37 -2.142 3.628 -3.986 1.00 0.00 H new ATOM 0 HA SER A 37 -2.707 5.273 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.781 2.935 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.321 3.655 -0.431 1.00 0.00 H new ATOM 0 HG SER A 37 -2.812 2.076 -2.285 1.00 0.00 H new ATOM 602 N ARG A 38 -0.062 5.416 -3.501 1.00 0.00 N ATOM 603 CA ARG A 38 1.151 6.178 -3.779 1.00 0.00 C ATOM 604 C ARG A 38 0.865 7.367 -4.694 1.00 0.00 C ATOM 605 O ARG A 38 1.642 8.319 -4.744 1.00 0.00 O ATOM 606 CB ARG A 38 2.211 5.275 -4.413 1.00 0.00 C ATOM 607 CG ARG A 38 2.972 4.429 -3.405 1.00 0.00 C ATOM 608 CD ARG A 38 4.345 4.041 -3.929 1.00 0.00 C ATOM 609 NE ARG A 38 5.326 3.917 -2.853 1.00 0.00 N ATOM 610 CZ ARG A 38 5.397 2.872 -2.031 1.00 0.00 C ATOM 611 NH1 ARG A 38 4.548 1.860 -2.159 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.319 2.840 -1.079 1.00 0.00 N ATOM 0 H ARG A 38 -0.338 4.776 -4.245 1.00 0.00 H new ATOM 0 HA ARG A 38 1.526 6.563 -2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.730 4.617 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.920 5.893 -4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.080 4.982 -2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.400 3.529 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.274 3.095 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.685 4.789 -4.645 1.00 0.00 H new ATOM 0 HE ARG A 38 5.996 4.676 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.837 1.880 -2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.607 1.062 -1.527 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.973 3.616 -0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.374 2.040 -0.449 1.00 0.00 H new ATOM 626 N LYS A 39 -0.252 7.305 -5.415 1.00 0.00 N ATOM 627 CA LYS A 39 -0.639 8.377 -6.330 1.00 0.00 C ATOM 628 C LYS A 39 0.333 8.473 -7.501 1.00 0.00 C ATOM 629 O LYS A 39 -0.004 8.114 -8.630 1.00 0.00 O ATOM 630 CB LYS A 39 -0.707 9.718 -5.592 1.00 0.00 C ATOM 631 CG LYS A 39 -1.667 9.715 -4.414 1.00 0.00 C ATOM 632 CD LYS A 39 -3.095 9.452 -4.861 1.00 0.00 C ATOM 633 CE LYS A 39 -4.068 9.527 -3.694 1.00 0.00 C ATOM 634 NZ LYS A 39 -5.474 9.693 -4.154 1.00 0.00 N ATOM 0 H LYS A 39 -0.906 6.523 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.628 8.141 -6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.290 9.979 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.009 10.495 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.363 8.952 -3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.616 10.675 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.379 10.180 -5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.157 8.467 -5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.987 8.620 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.796 10.362 -3.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.106 9.740 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.558 10.571 -4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.742 8.884 -4.750 1.00 0.00 H new ATOM 648 N LYS A 40 1.540 8.957 -7.228 1.00 0.00 N ATOM 649 CA LYS A 40 2.559 9.097 -8.263 1.00 0.00 C ATOM 650 C LYS A 40 3.660 8.056 -8.085 1.00 0.00 C ATOM 651 O LYS A 40 4.337 8.025 -7.057 1.00 0.00 O ATOM 652 CB LYS A 40 3.160 10.503 -8.230 1.00 0.00 C ATOM 653 CG LYS A 40 3.873 10.889 -9.516 1.00 0.00 C ATOM 654 CD LYS A 40 3.650 12.353 -9.858 1.00 0.00 C ATOM 655 CE LYS A 40 4.427 12.760 -11.099 1.00 0.00 C ATOM 656 NZ LYS A 40 5.875 12.950 -10.811 1.00 0.00 N ATOM 0 H LYS A 40 1.837 9.259 -6.300 1.00 0.00 H new ATOM 0 HA LYS A 40 2.084 8.936 -9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.366 11.224 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.864 10.569 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.941 10.697 -9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.514 10.264 -10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.587 12.532 -10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.955 12.975 -9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.307 11.997 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.012 13.685 -11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.369 13.227 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.992 13.696 -10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.277 12.060 -10.453 1.00 0.00 H new ATOM 670 N MET A 41 3.832 7.206 -9.091 1.00 0.00 N ATOM 671 CA MET A 41 4.851 6.163 -9.045 1.00 0.00 C ATOM 672 C MET A 41 5.669 6.145 -10.333 1.00 0.00 C ATOM 673 O MET A 41 5.196 6.569 -11.387 1.00 0.00 O ATOM 674 CB MET A 41 4.200 4.796 -8.820 1.00 0.00 C ATOM 675 CG MET A 41 5.196 3.695 -8.492 1.00 0.00 C ATOM 676 SD MET A 41 5.867 3.837 -6.825 1.00 0.00 S ATOM 677 CE MET A 41 5.701 2.151 -6.248 1.00 0.00 C ATOM 0 H MET A 41 3.279 7.218 -9.948 1.00 0.00 H new ATOM 0 HA MET A 41 5.522 6.380 -8.214 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.478 4.876 -8.007 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.643 4.516 -9.714 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.709 2.726 -8.602 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.014 3.724 -9.212 1.00 0.00 H new ATOM 0 HE1 MET A 41 6.261 2.027 -5.321 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.649 1.930 -6.068 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.092 1.468 -7.002 1.00 0.00 H new ATOM 687 N GLN A 42 6.899 5.651 -10.240 1.00 0.00 N ATOM 688 CA GLN A 42 7.783 5.578 -11.397 1.00 0.00 C ATOM 689 C GLN A 42 7.588 4.264 -12.149 1.00 0.00 C ATOM 690 O GLN A 42 6.833 3.395 -11.714 1.00 0.00 O ATOM 691 CB GLN A 42 9.243 5.721 -10.959 1.00 0.00 C ATOM 692 CG GLN A 42 9.905 6.995 -11.459 1.00 0.00 C ATOM 693 CD GLN A 42 11.418 6.897 -11.481 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.021 6.231 -10.638 1.00 0.00 O ATOM 695 NE2 GLN A 42 12.041 7.560 -12.448 1.00 0.00 N ATOM 0 H GLN A 42 7.306 5.295 -9.375 1.00 0.00 H new ATOM 0 HA GLN A 42 7.532 6.399 -12.069 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.291 5.699 -9.870 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.808 4.862 -11.320 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.545 7.217 -12.463 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.608 7.828 -10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.502 8.099 -13.126 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.058 7.530 -12.513 1.00 0.00 H new ATOM 704 N HIS A 43 8.275 4.128 -13.279 1.00 0.00 N ATOM 705 CA HIS A 43 8.178 2.921 -14.091 1.00 0.00 C ATOM 706 C HIS A 43 8.839 1.739 -13.393 1.00 0.00 C ATOM 707 O HIS A 43 8.206 0.710 -13.157 1.00 0.00 O ATOM 708 CB HIS A 43 8.825 3.148 -15.458 1.00 0.00 C ATOM 709 CG HIS A 43 8.512 2.075 -16.455 1.00 0.00 C ATOM 710 ND1 HIS A 43 7.560 1.102 -16.237 1.00 0.00 N ATOM 711 CD2 HIS A 43 9.030 1.826 -17.680 1.00 0.00 C ATOM 712 CE1 HIS A 43 7.507 0.299 -17.286 1.00 0.00 C ATOM 713 NE2 HIS A 43 8.388 0.717 -18.175 1.00 0.00 N ATOM 0 H HIS A 43 8.904 4.838 -13.653 1.00 0.00 H new ATOM 0 HA HIS A 43 7.121 2.692 -14.230 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.492 4.108 -15.853 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.906 3.212 -15.333 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.804 2.393 -18.176 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.854 -0.554 -17.396 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.564 0.286 -19.083 1.00 0.00 H new ATOM 722 N ASN A 44 10.118 1.892 -13.064 1.00 0.00 N ATOM 723 CA ASN A 44 10.867 0.836 -12.392 1.00 0.00 C ATOM 724 C ASN A 44 10.276 0.540 -11.018 1.00 0.00 C ATOM 725 O ASN A 44 10.072 -0.618 -10.654 1.00 0.00 O ATOM 726 CB ASN A 44 12.337 1.235 -12.252 1.00 0.00 C ATOM 727 CG ASN A 44 13.276 0.060 -12.437 1.00 0.00 C ATOM 728 OD1 ASN A 44 13.713 -0.232 -13.550 1.00 0.00 O ATOM 729 ND2 ASN A 44 13.592 -0.624 -11.343 1.00 0.00 N ATOM 0 H ASN A 44 10.657 2.737 -13.252 1.00 0.00 H new ATOM 0 HA ASN A 44 10.799 -0.067 -12.999 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.573 2.004 -12.987 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.499 1.674 -11.268 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.220 -1.426 -11.406 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.207 -0.348 -10.440 1.00 0.00 H new ATOM 736 N VAL A 45 10.001 1.596 -10.257 1.00 0.00 N ATOM 737 CA VAL A 45 9.432 1.447 -8.923 1.00 0.00 C ATOM 738 C VAL A 45 8.088 0.730 -8.977 1.00 0.00 C ATOM 739 O VAL A 45 7.812 -0.157 -8.169 1.00 0.00 O ATOM 740 CB VAL A 45 9.244 2.813 -8.235 1.00 0.00 C ATOM 741 CG1 VAL A 45 8.886 2.628 -6.768 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.497 3.664 -8.381 1.00 0.00 C ATOM 0 H VAL A 45 10.163 2.562 -10.542 1.00 0.00 H new ATOM 0 HA VAL A 45 10.137 0.851 -8.344 1.00 0.00 H new ATOM 0 HB VAL A 45 8.421 3.333 -8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.757 3.604 -6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.958 2.062 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.686 2.086 -6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.344 4.624 -7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.341 3.151 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.705 3.827 -9.438 1.00 0.00 H new ATOM 752 N LEU A 46 7.255 1.119 -9.937 1.00 0.00 N ATOM 753 CA LEU A 46 5.938 0.512 -10.101 1.00 0.00 C ATOM 754 C LEU A 46 6.064 -0.955 -10.498 1.00 0.00 C ATOM 755 O LEU A 46 5.285 -1.798 -10.052 1.00 0.00 O ATOM 756 CB LEU A 46 5.133 1.273 -11.155 1.00 0.00 C ATOM 757 CG LEU A 46 3.718 0.743 -11.398 1.00 0.00 C ATOM 758 CD1 LEU A 46 2.729 1.420 -10.463 1.00 0.00 C ATOM 759 CD2 LEU A 46 3.313 0.952 -12.850 1.00 0.00 C ATOM 0 H LEU A 46 7.468 1.852 -10.614 1.00 0.00 H new ATOM 0 HA LEU A 46 5.415 0.567 -9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.066 2.318 -10.854 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.681 1.247 -12.097 1.00 0.00 H new ATOM 0 HG LEU A 46 3.709 -0.327 -11.190 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.728 1.031 -10.649 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.010 1.219 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.739 2.496 -10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.304 0.569 -13.005 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.338 2.016 -13.085 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.007 0.420 -13.501 1.00 0.00 H new ATOM 771 N VAL A 47 7.049 -1.252 -11.339 1.00 0.00 N ATOM 772 CA VAL A 47 7.280 -2.616 -11.798 1.00 0.00 C ATOM 773 C VAL A 47 7.904 -3.465 -10.695 1.00 0.00 C ATOM 774 O VAL A 47 7.480 -4.595 -10.452 1.00 0.00 O ATOM 775 CB VAL A 47 8.196 -2.642 -13.038 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.411 -4.067 -13.525 1.00 0.00 C ATOM 777 CG2 VAL A 47 7.618 -1.775 -14.147 1.00 0.00 C ATOM 0 H VAL A 47 7.701 -0.565 -11.717 1.00 0.00 H new ATOM 0 HA VAL A 47 6.309 -3.032 -12.067 1.00 0.00 H new ATOM 0 HB VAL A 47 9.166 -2.234 -12.753 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.060 -4.058 -14.400 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.876 -4.656 -12.734 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.451 -4.510 -13.790 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.278 -1.806 -15.014 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.634 -2.150 -14.427 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.528 -0.747 -13.796 1.00 0.00 H new ATOM 787 N ALA A 48 8.915 -2.915 -10.032 1.00 0.00 N ATOM 788 CA ALA A 48 9.602 -3.620 -8.956 1.00 0.00 C ATOM 789 C ALA A 48 8.629 -4.035 -7.856 1.00 0.00 C ATOM 790 O ALA A 48 8.781 -5.093 -7.246 1.00 0.00 O ATOM 791 CB ALA A 48 10.710 -2.753 -8.381 1.00 0.00 C ATOM 0 H ALA A 48 9.278 -1.981 -10.221 1.00 0.00 H new ATOM 0 HA ALA A 48 10.042 -4.525 -9.374 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.214 -3.292 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.428 -2.513 -9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.283 -1.831 -7.986 1.00 0.00 H new ATOM 797 N GLU A 49 7.631 -3.193 -7.606 1.00 0.00 N ATOM 798 CA GLU A 49 6.635 -3.472 -6.577 1.00 0.00 C ATOM 799 C GLU A 49 5.629 -4.513 -7.058 1.00 0.00 C ATOM 800 O GLU A 49 5.441 -5.549 -6.420 1.00 0.00 O ATOM 801 CB GLU A 49 5.907 -2.186 -6.183 1.00 0.00 C ATOM 802 CG GLU A 49 6.558 -1.449 -5.024 1.00 0.00 C ATOM 803 CD GLU A 49 8.031 -1.180 -5.257 1.00 0.00 C ATOM 804 OE1 GLU A 49 8.817 -2.151 -5.273 1.00 0.00 O ATOM 805 OE2 GLU A 49 8.401 0.001 -5.425 1.00 0.00 O ATOM 0 H GLU A 49 7.491 -2.313 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 49 7.153 -3.872 -5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.865 -1.523 -7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.878 -2.428 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.041 -0.503 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.439 -2.036 -4.113 1.00 0.00 H new ATOM 812 N VAL A 50 4.984 -4.231 -8.185 1.00 0.00 N ATOM 813 CA VAL A 50 3.994 -5.141 -8.749 1.00 0.00 C ATOM 814 C VAL A 50 4.597 -6.516 -9.021 1.00 0.00 C ATOM 815 O VAL A 50 3.900 -7.529 -8.976 1.00 0.00 O ATOM 816 CB VAL A 50 3.401 -4.584 -10.059 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.274 -5.476 -10.560 1.00 0.00 C ATOM 818 CG2 VAL A 50 2.914 -3.156 -9.861 1.00 0.00 C ATOM 0 H VAL A 50 5.129 -3.379 -8.726 1.00 0.00 H new ATOM 0 HA VAL A 50 3.199 -5.238 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 50 4.186 -4.574 -10.815 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.869 -5.066 -11.485 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.659 -6.479 -10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.486 -5.523 -9.808 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.499 -2.780 -10.796 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.144 -3.138 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.749 -2.526 -9.556 1.00 0.00 H new ATOM 828 N THR A 51 5.896 -6.546 -9.303 1.00 0.00 N ATOM 829 CA THR A 51 6.588 -7.798 -9.582 1.00 0.00 C ATOM 830 C THR A 51 6.842 -8.581 -8.297 1.00 0.00 C ATOM 831 O THR A 51 6.416 -9.727 -8.162 1.00 0.00 O ATOM 832 CB THR A 51 7.913 -7.524 -10.299 1.00 0.00 C ATOM 833 OG1 THR A 51 7.691 -6.826 -11.512 1.00 0.00 O ATOM 834 CG2 THR A 51 8.687 -8.782 -10.629 1.00 0.00 C ATOM 0 H THR A 51 6.490 -5.718 -9.344 1.00 0.00 H new ATOM 0 HA THR A 51 5.950 -8.399 -10.230 1.00 0.00 H new ATOM 0 HB THR A 51 8.501 -6.928 -9.601 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.222 -5.986 -11.325 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.615 -8.516 -11.136 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.917 -9.319 -9.709 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.087 -9.418 -11.280 1.00 0.00 H new ATOM 842 N GLN A 52 7.540 -7.954 -7.356 1.00 0.00 N ATOM 843 CA GLN A 52 7.852 -8.594 -6.083 1.00 0.00 C ATOM 844 C GLN A 52 6.582 -8.879 -5.285 1.00 0.00 C ATOM 845 O GLN A 52 6.535 -9.816 -4.489 1.00 0.00 O ATOM 846 CB GLN A 52 8.797 -7.710 -5.263 1.00 0.00 C ATOM 847 CG GLN A 52 10.222 -8.235 -5.207 1.00 0.00 C ATOM 848 CD GLN A 52 10.710 -8.450 -3.788 1.00 0.00 C ATOM 849 OE1 GLN A 52 11.038 -9.570 -3.394 1.00 0.00 O ATOM 850 NE2 GLN A 52 10.759 -7.376 -3.009 1.00 0.00 N ATOM 0 H GLN A 52 7.900 -7.004 -7.451 1.00 0.00 H new ATOM 0 HA GLN A 52 8.343 -9.544 -6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.804 -6.707 -5.689 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.410 -7.622 -4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.280 -9.176 -5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.884 -7.532 -5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.478 -6.467 -3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.078 -7.460 -2.044 1.00 0.00 H new ATOM 859 N GLN A 53 5.554 -8.064 -5.503 1.00 0.00 N ATOM 860 CA GLN A 53 4.286 -8.231 -4.801 1.00 0.00 C ATOM 861 C GLN A 53 3.561 -9.489 -5.270 1.00 0.00 C ATOM 862 O GLN A 53 3.052 -10.262 -4.459 1.00 0.00 O ATOM 863 CB GLN A 53 3.395 -7.006 -5.017 1.00 0.00 C ATOM 864 CG GLN A 53 3.694 -5.861 -4.063 1.00 0.00 C ATOM 865 CD GLN A 53 2.657 -4.758 -4.134 1.00 0.00 C ATOM 866 OE1 GLN A 53 1.485 -5.009 -4.415 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.084 -3.526 -3.880 1.00 0.00 N ATOM 0 H GLN A 53 5.574 -7.283 -6.159 1.00 0.00 H new ATOM 0 HA GLN A 53 4.501 -8.335 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.516 -6.655 -6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.352 -7.301 -4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.742 -6.245 -3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.676 -5.447 -4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.065 -3.363 -3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.431 -2.743 -3.914 1.00 0.00 H new ATOM 876 N LEU A 54 3.516 -9.687 -6.584 1.00 0.00 N ATOM 877 CA LEU A 54 2.847 -10.850 -7.157 1.00 0.00 C ATOM 878 C LEU A 54 3.853 -11.941 -7.513 1.00 0.00 C ATOM 879 O LEU A 54 3.741 -12.588 -8.554 1.00 0.00 O ATOM 880 CB LEU A 54 2.055 -10.445 -8.401 1.00 0.00 C ATOM 881 CG LEU A 54 0.773 -9.658 -8.123 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.419 -8.779 -9.312 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.373 -10.604 -7.796 1.00 0.00 C ATOM 0 H LEU A 54 3.934 -9.059 -7.270 1.00 0.00 H new ATOM 0 HA LEU A 54 2.161 -11.247 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.699 -9.846 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.797 -11.346 -8.958 1.00 0.00 H new ATOM 0 HG LEU A 54 0.944 -9.015 -7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.496 -8.227 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.231 -8.077 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.267 -9.403 -10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.277 -10.027 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.544 -11.273 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.120 -11.191 -6.913 1.00 0.00 H new ATOM 895 N LYS A 55 4.836 -12.143 -6.642 1.00 0.00 N ATOM 896 CA LYS A 55 5.859 -13.158 -6.866 1.00 0.00 C ATOM 897 C LYS A 55 5.577 -14.407 -6.036 1.00 0.00 C ATOM 898 O LYS A 55 5.924 -15.519 -6.433 1.00 0.00 O ATOM 899 CB LYS A 55 7.243 -12.602 -6.523 1.00 0.00 C ATOM 900 CG LYS A 55 8.011 -12.103 -7.735 1.00 0.00 C ATOM 901 CD LYS A 55 8.879 -13.197 -8.337 1.00 0.00 C ATOM 902 CE LYS A 55 10.362 -12.907 -8.153 1.00 0.00 C ATOM 903 NZ LYS A 55 11.084 -12.867 -9.454 1.00 0.00 N ATOM 0 H LYS A 55 4.946 -11.618 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 55 5.838 -13.433 -7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.131 -11.784 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.826 -13.379 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.310 -11.739 -8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.637 -11.258 -7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.635 -14.152 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.657 -13.294 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.485 -11.953 -7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.805 -13.671 -7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.091 -12.667 -9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.988 -13.785 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.678 -12.120 -10.054 1.00 0.00 H new ATOM 917 N ALA A 56 4.946 -14.217 -4.882 1.00 0.00 N ATOM 918 CA ALA A 56 4.618 -15.328 -3.999 1.00 0.00 C ATOM 919 C ALA A 56 3.632 -16.284 -4.661 1.00 0.00 C ATOM 920 O ALA A 56 3.648 -17.487 -4.401 1.00 0.00 O ATOM 921 CB ALA A 56 4.052 -14.809 -2.686 1.00 0.00 C ATOM 0 H ALA A 56 4.652 -13.303 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 56 5.536 -15.879 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.811 -15.650 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.790 -14.173 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.148 -14.232 -2.882 1.00 0.00 H new ATOM 927 N ARG A 57 2.774 -15.741 -5.518 1.00 0.00 N ATOM 928 CA ARG A 57 1.779 -16.546 -6.218 1.00 0.00 C ATOM 929 C ARG A 57 2.377 -17.183 -7.468 1.00 0.00 C ATOM 930 O ARG A 57 2.438 -18.406 -7.586 1.00 0.00 O ATOM 931 CB ARG A 57 0.571 -15.687 -6.597 1.00 0.00 C ATOM 932 CG ARG A 57 -0.384 -15.436 -5.441 1.00 0.00 C ATOM 933 CD ARG A 57 -1.784 -15.109 -5.936 1.00 0.00 C ATOM 934 NE ARG A 57 -2.430 -14.086 -5.114 1.00 0.00 N ATOM 935 CZ ARG A 57 -3.727 -13.796 -5.177 1.00 0.00 C ATOM 936 NH1 ARG A 57 -4.520 -14.447 -6.019 1.00 0.00 N ATOM 937 NH2 ARG A 57 -4.233 -12.852 -4.395 1.00 0.00 N ATOM 0 H ARG A 57 2.747 -14.747 -5.745 1.00 0.00 H new ATOM 0 HA ARG A 57 1.454 -17.341 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.923 -14.730 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.028 -16.175 -7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.420 -16.317 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.011 -14.613 -4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.732 -14.765 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.391 -16.014 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.853 -13.565 -4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.136 -15.174 -6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.513 -14.220 -6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.628 -12.349 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.227 -12.629 -4.443 1.00 0.00 H new ATOM 951 N PHE A 58 2.819 -16.343 -8.399 1.00 0.00 N ATOM 952 CA PHE A 58 3.413 -16.823 -9.641 1.00 0.00 C ATOM 953 C PHE A 58 4.340 -15.771 -10.241 1.00 0.00 C ATOM 954 O PHE A 58 4.621 -14.748 -9.614 1.00 0.00 O ATOM 955 CB PHE A 58 2.318 -17.191 -10.646 1.00 0.00 C ATOM 956 CG PHE A 58 1.499 -16.016 -11.100 1.00 0.00 C ATOM 957 CD1 PHE A 58 0.732 -15.298 -10.195 1.00 0.00 C ATOM 958 CD2 PHE A 58 1.494 -15.631 -12.431 1.00 0.00 C ATOM 959 CE1 PHE A 58 -0.022 -14.216 -10.609 1.00 0.00 C ATOM 960 CE2 PHE A 58 0.741 -14.551 -12.852 1.00 0.00 C ATOM 961 CZ PHE A 58 -0.018 -13.843 -11.940 1.00 0.00 C ATOM 0 H PHE A 58 2.777 -15.327 -8.316 1.00 0.00 H new ATOM 0 HA PHE A 58 4.001 -17.713 -9.415 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.778 -17.661 -11.516 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.657 -17.932 -10.196 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.724 -15.588 -9.155 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.085 -16.181 -13.148 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.613 -13.663 -9.894 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.746 -14.261 -13.892 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.607 -12.999 -12.267 1.00 0.00 H new ATOM 971 N LEU A 59 4.813 -16.027 -11.457 1.00 0.00 N ATOM 972 CA LEU A 59 5.708 -15.101 -12.140 1.00 0.00 C ATOM 973 C LEU A 59 4.916 -13.991 -12.833 1.00 0.00 C ATOM 974 O LEU A 59 4.215 -14.242 -13.813 1.00 0.00 O ATOM 975 CB LEU A 59 6.560 -15.850 -13.167 1.00 0.00 C ATOM 976 CG LEU A 59 7.500 -14.973 -13.995 1.00 0.00 C ATOM 977 CD1 LEU A 59 8.881 -14.926 -13.362 1.00 0.00 C ATOM 978 CD2 LEU A 59 7.584 -15.484 -15.426 1.00 0.00 C ATOM 0 H LEU A 59 4.591 -16.868 -11.989 1.00 0.00 H new ATOM 0 HA LEU A 59 6.362 -14.647 -11.395 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.154 -16.600 -12.645 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.896 -16.385 -13.846 1.00 0.00 H new ATOM 0 HG LEU A 59 7.097 -13.960 -14.015 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.536 -14.297 -13.965 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.806 -14.513 -12.356 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.292 -15.934 -13.310 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.257 -14.848 -16.001 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.963 -16.506 -15.426 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.592 -15.465 -15.878 1.00 0.00 H new ATOM 990 N PRO A 60 5.012 -12.745 -12.332 1.00 0.00 N ATOM 991 CA PRO A 60 4.295 -11.607 -12.915 1.00 0.00 C ATOM 992 C PRO A 60 4.923 -11.128 -14.219 1.00 0.00 C ATOM 993 O PRO A 60 4.228 -10.913 -15.211 1.00 0.00 O ATOM 994 CB PRO A 60 4.409 -10.531 -11.836 1.00 0.00 C ATOM 995 CG PRO A 60 5.674 -10.849 -11.117 1.00 0.00 C ATOM 996 CD PRO A 60 5.821 -12.347 -11.163 1.00 0.00 C ATOM 0 HA PRO A 60 3.268 -11.862 -13.177 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.442 -9.533 -12.274 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.553 -10.555 -11.161 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.525 -10.360 -11.592 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.636 -10.493 -10.087 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.864 -12.643 -11.279 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.457 -12.813 -10.247 1.00 0.00 H new ATOM 1004 N SER A 61 6.242 -10.962 -14.212 1.00 0.00 N ATOM 1005 CA SER A 61 6.964 -10.509 -15.395 1.00 0.00 C ATOM 1006 C SER A 61 6.497 -9.115 -15.820 1.00 0.00 C ATOM 1007 O SER A 61 5.341 -8.933 -16.205 1.00 0.00 O ATOM 1008 CB SER A 61 6.766 -11.496 -16.547 1.00 0.00 C ATOM 1009 OG SER A 61 7.766 -11.331 -17.539 1.00 0.00 O ATOM 0 H SER A 61 6.833 -11.135 -13.399 1.00 0.00 H new ATOM 0 HA SER A 61 8.024 -10.458 -15.145 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.794 -12.516 -16.164 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.781 -11.349 -16.991 1.00 0.00 H new ATOM 0 HG SER A 61 7.618 -11.975 -18.263 1.00 0.00 H new ATOM 1015 N PRO A 62 7.389 -8.109 -15.759 1.00 0.00 N ATOM 1016 CA PRO A 62 7.054 -6.732 -16.142 1.00 0.00 C ATOM 1017 C PRO A 62 6.400 -6.654 -17.518 1.00 0.00 C ATOM 1018 O PRO A 62 5.628 -5.736 -17.798 1.00 0.00 O ATOM 1019 CB PRO A 62 8.410 -6.027 -16.158 1.00 0.00 C ATOM 1020 CG PRO A 62 9.247 -6.800 -15.200 1.00 0.00 C ATOM 1021 CD PRO A 62 8.792 -8.229 -15.316 1.00 0.00 C ATOM 0 HA PRO A 62 6.333 -6.285 -15.458 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.846 -6.029 -17.157 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.318 -4.985 -15.853 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.306 -6.706 -15.442 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.119 -6.430 -14.183 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.394 -8.785 -16.035 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.869 -8.753 -14.363 1.00 0.00 H new ATOM 1029 N VAL A 63 6.715 -7.622 -18.372 1.00 0.00 N ATOM 1030 CA VAL A 63 6.161 -7.667 -19.724 1.00 0.00 C ATOM 1031 C VAL A 63 4.653 -7.423 -19.716 1.00 0.00 C ATOM 1032 O VAL A 63 4.175 -6.425 -20.255 1.00 0.00 O ATOM 1033 CB VAL A 63 6.445 -9.021 -20.402 1.00 0.00 C ATOM 1034 CG1 VAL A 63 6.029 -8.985 -21.865 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.915 -9.387 -20.268 1.00 0.00 C ATOM 0 H VAL A 63 7.352 -8.388 -18.153 1.00 0.00 H new ATOM 0 HA VAL A 63 6.650 -6.873 -20.289 1.00 0.00 H new ATOM 0 HB VAL A 63 5.855 -9.788 -19.900 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.238 -9.950 -22.326 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.962 -8.772 -21.935 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.589 -8.207 -22.383 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.097 -10.346 -20.753 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.526 -8.619 -20.743 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.177 -9.458 -19.212 1.00 0.00 H new ATOM 1045 N VAL A 64 3.913 -8.338 -19.101 1.00 0.00 N ATOM 1046 CA VAL A 64 2.462 -8.219 -19.023 1.00 0.00 C ATOM 1047 C VAL A 64 2.060 -6.942 -18.292 1.00 0.00 C ATOM 1048 O VAL A 64 1.056 -6.313 -18.625 1.00 0.00 O ATOM 1049 CB VAL A 64 1.835 -9.428 -18.304 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.891 -10.663 -19.188 1.00 0.00 C ATOM 1051 CG2 VAL A 64 2.534 -9.681 -16.977 1.00 0.00 C ATOM 0 H VAL A 64 4.293 -9.170 -18.649 1.00 0.00 H new ATOM 0 HA VAL A 64 2.090 -8.185 -20.047 1.00 0.00 H new ATOM 0 HB VAL A 64 0.788 -9.203 -18.100 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.443 -11.507 -18.663 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.340 -10.476 -20.110 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.929 -10.893 -19.426 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.078 -10.539 -16.483 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.590 -9.884 -17.155 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.436 -8.801 -16.341 1.00 0.00 H new ATOM 1061 N ILE A 65 2.855 -6.563 -17.297 1.00 0.00 N ATOM 1062 CA ILE A 65 2.588 -5.359 -16.518 1.00 0.00 C ATOM 1063 C ILE A 65 2.566 -4.125 -17.419 1.00 0.00 C ATOM 1064 O ILE A 65 1.702 -3.259 -17.281 1.00 0.00 O ATOM 1065 CB ILE A 65 3.645 -5.171 -15.404 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.455 -6.231 -14.316 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.563 -3.773 -14.802 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.741 -6.617 -13.618 1.00 0.00 C ATOM 0 H ILE A 65 3.691 -7.073 -17.011 1.00 0.00 H new ATOM 0 HA ILE A 65 1.609 -5.478 -16.054 1.00 0.00 H new ATOM 0 HB ILE A 65 4.634 -5.289 -15.847 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.747 -5.858 -13.576 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.011 -7.121 -14.761 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.317 -3.668 -14.022 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.741 -3.031 -15.580 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.573 -3.619 -14.373 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.531 -7.372 -12.860 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.444 -7.021 -14.347 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.176 -5.737 -13.144 1.00 0.00 H new ATOM 1080 N LYS A 66 3.520 -4.055 -18.342 1.00 0.00 N ATOM 1081 CA LYS A 66 3.606 -2.929 -19.265 1.00 0.00 C ATOM 1082 C LYS A 66 2.330 -2.805 -20.091 1.00 0.00 C ATOM 1083 O LYS A 66 1.925 -1.703 -20.466 1.00 0.00 O ATOM 1084 CB LYS A 66 4.812 -3.094 -20.192 1.00 0.00 C ATOM 1085 CG LYS A 66 6.148 -2.994 -19.473 1.00 0.00 C ATOM 1086 CD LYS A 66 7.300 -2.854 -20.455 1.00 0.00 C ATOM 1087 CE LYS A 66 7.386 -4.053 -21.386 1.00 0.00 C ATOM 1088 NZ LYS A 66 8.796 -4.422 -21.690 1.00 0.00 N ATOM 0 H LYS A 66 4.243 -4.763 -18.471 1.00 0.00 H new ATOM 0 HA LYS A 66 3.728 -2.019 -18.678 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.748 -4.062 -20.690 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.769 -2.332 -20.970 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.137 -2.137 -18.799 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.299 -3.881 -18.858 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.171 -1.945 -21.042 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.236 -2.749 -19.907 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.879 -4.903 -20.930 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.861 -3.829 -22.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.810 -5.244 -22.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.274 -3.620 -22.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.291 -4.661 -20.807 1.00 0.00 H new ATOM 1102 N LYS A 67 1.699 -3.941 -20.370 1.00 0.00 N ATOM 1103 CA LYS A 67 0.467 -3.960 -21.149 1.00 0.00 C ATOM 1104 C LYS A 67 -0.708 -3.450 -20.322 1.00 0.00 C ATOM 1105 O LYS A 67 -1.552 -2.702 -20.817 1.00 0.00 O ATOM 1106 CB LYS A 67 0.177 -5.377 -21.650 1.00 0.00 C ATOM 1107 CG LYS A 67 0.893 -5.724 -22.944 1.00 0.00 C ATOM 1108 CD LYS A 67 2.392 -5.858 -22.732 1.00 0.00 C ATOM 1109 CE LYS A 67 3.132 -5.988 -24.055 1.00 0.00 C ATOM 1110 NZ LYS A 67 4.606 -5.885 -23.879 1.00 0.00 N ATOM 0 H LYS A 67 2.021 -4.861 -20.068 1.00 0.00 H new ATOM 0 HA LYS A 67 0.598 -3.299 -22.006 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.468 -6.092 -20.881 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.897 -5.488 -21.798 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.496 -6.658 -23.342 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.697 -4.952 -23.688 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.763 -4.988 -22.190 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.596 -6.731 -22.112 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.887 -6.945 -24.515 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.793 -5.210 -24.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.073 -5.979 -24.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.842 -4.961 -23.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.934 -6.643 -23.247 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.755 -3.858 -19.058 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.825 -3.443 -18.159 1.00 0.00 C ATOM 1126 C ARG A 68 -1.786 -1.936 -17.926 1.00 0.00 C ATOM 1127 O ARG A 68 -2.826 -1.281 -17.855 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.714 -4.180 -16.824 1.00 0.00 C ATOM 1129 CG ARG A 68 -1.729 -5.693 -16.961 1.00 0.00 C ATOM 1130 CD ARG A 68 -3.063 -6.191 -17.492 1.00 0.00 C ATOM 1131 NE ARG A 68 -3.180 -6.010 -18.936 1.00 0.00 N ATOM 1132 CZ ARG A 68 -4.265 -6.327 -19.638 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -5.329 -6.842 -19.032 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -4.288 -6.130 -20.949 1.00 0.00 N ATOM 0 H ARG A 68 -0.064 -4.476 -18.633 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.776 -3.696 -18.627 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.792 -3.878 -16.327 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.538 -3.874 -16.180 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.929 -6.007 -17.632 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.529 -6.149 -15.991 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.178 -7.247 -17.249 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.873 -5.659 -16.993 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.383 -5.617 -19.436 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.317 -6.996 -18.024 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.158 -7.083 -19.575 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.474 -5.735 -21.420 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.120 -6.373 -21.487 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.579 -1.392 -17.809 1.00 0.00 N ATOM 1149 CA ILE A 69 -0.403 0.037 -17.585 1.00 0.00 C ATOM 1150 C ILE A 69 -0.868 0.842 -18.793 1.00 0.00 C ATOM 1151 O ILE A 69 -1.667 1.770 -18.662 1.00 0.00 O ATOM 1152 CB ILE A 69 1.070 0.382 -17.287 1.00 0.00 C ATOM 1153 CG1 ILE A 69 1.600 -0.491 -16.148 1.00 0.00 C ATOM 1154 CG2 ILE A 69 1.215 1.857 -16.941 1.00 0.00 C ATOM 1155 CD1 ILE A 69 3.082 -0.774 -16.244 1.00 0.00 C ATOM 0 H ILE A 69 0.292 -1.920 -17.866 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.011 0.300 -16.720 1.00 0.00 H new ATOM 0 HB ILE A 69 1.660 0.181 -18.181 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.393 0.001 -15.198 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.057 -1.436 -16.143 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.261 2.081 -16.734 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.873 2.463 -17.780 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.614 2.085 -16.061 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.388 -1.398 -15.404 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.293 -1.294 -17.178 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.634 0.165 -16.219 1.00 0.00 H new ATOM 1167 N GLU A 70 -0.365 0.481 -19.970 1.00 0.00 N ATOM 1168 CA GLU A 70 -0.730 1.167 -21.203 1.00 0.00 C ATOM 1169 C GLU A 70 -2.246 1.220 -21.372 1.00 0.00 C ATOM 1170 O GLU A 70 -2.779 2.133 -22.003 1.00 0.00 O ATOM 1171 CB GLU A 70 -0.091 0.465 -22.404 1.00 0.00 C ATOM 1172 CG GLU A 70 -0.457 1.088 -23.740 1.00 0.00 C ATOM 1173 CD GLU A 70 0.737 1.233 -24.664 1.00 0.00 C ATOM 1174 OE1 GLU A 70 1.798 1.694 -24.196 1.00 0.00 O ATOM 1175 OE2 GLU A 70 0.610 0.883 -25.857 1.00 0.00 O ATOM 0 H GLU A 70 0.298 -0.284 -20.095 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.358 2.190 -21.147 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.993 0.482 -22.290 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.395 -0.582 -22.406 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.216 0.475 -24.227 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.901 2.069 -23.570 1.00 0.00 H new ATOM 1182 N GLY A 71 -2.936 0.238 -20.802 1.00 0.00 N ATOM 1183 CA GLY A 71 -4.382 0.194 -20.898 1.00 0.00 C ATOM 1184 C GLY A 71 -5.054 1.098 -19.882 1.00 0.00 C ATOM 1185 O GLY A 71 -6.132 1.636 -20.136 1.00 0.00 O ATOM 0 H GLY A 71 -2.518 -0.529 -20.275 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.686 0.490 -21.902 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.723 -0.831 -20.751 1.00 0.00 H new ATOM 1189 N LEU A 72 -4.416 1.265 -18.729 1.00 0.00 N ATOM 1190 CA LEU A 72 -4.956 2.110 -17.670 1.00 0.00 C ATOM 1191 C LEU A 72 -4.865 3.584 -18.050 1.00 0.00 C ATOM 1192 O LEU A 72 -5.785 4.361 -17.793 1.00 0.00 O ATOM 1193 CB LEU A 72 -4.211 1.860 -16.358 1.00 0.00 C ATOM 1194 CG LEU A 72 -4.508 0.517 -15.690 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -3.404 0.153 -14.710 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -5.856 0.560 -14.985 1.00 0.00 C ATOM 0 H LEU A 72 -3.523 0.826 -18.504 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.007 1.854 -17.535 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.140 1.925 -16.548 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.459 2.659 -15.659 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.548 -0.251 -16.462 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.632 -0.806 -14.244 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.455 0.081 -15.241 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.332 0.922 -13.941 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.052 -0.404 -14.515 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.843 1.339 -14.223 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.640 0.775 -15.711 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.751 3.965 -18.668 1.00 0.00 N ATOM 1209 CA ILE A 73 -3.545 5.346 -19.085 1.00 0.00 C ATOM 1210 C ILE A 73 -4.634 5.785 -20.060 1.00 0.00 C ATOM 1211 O ILE A 73 -5.113 6.917 -20.003 1.00 0.00 O ATOM 1212 CB ILE A 73 -2.166 5.536 -19.748 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -1.059 5.009 -18.833 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -1.934 7.004 -20.080 1.00 0.00 C ATOM 1215 CD1 ILE A 73 0.334 5.204 -19.392 1.00 0.00 C ATOM 0 H ILE A 73 -2.979 3.337 -18.890 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.590 5.962 -18.187 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.145 4.967 -20.677 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.128 5.511 -17.868 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.223 3.947 -18.652 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.956 7.121 -20.547 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.708 7.349 -20.766 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.972 7.594 -19.165 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.067 4.807 -18.690 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.421 4.679 -20.343 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.519 6.267 -19.546 1.00 0.00 H new ATOM 1227 N GLU A 74 -5.020 4.879 -20.951 1.00 0.00 N ATOM 1228 CA GLU A 74 -6.052 5.168 -21.939 1.00 0.00 C ATOM 1229 C GLU A 74 -7.440 5.151 -21.303 1.00 0.00 C ATOM 1230 O GLU A 74 -8.383 5.738 -21.836 1.00 0.00 O ATOM 1231 CB GLU A 74 -5.988 4.154 -23.083 1.00 0.00 C ATOM 1232 CG GLU A 74 -6.018 4.791 -24.462 1.00 0.00 C ATOM 1233 CD GLU A 74 -4.800 5.651 -24.734 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -4.724 6.766 -24.176 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -3.921 5.210 -25.504 1.00 0.00 O ATOM 0 H GLU A 74 -4.633 3.937 -21.009 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.870 6.167 -22.336 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.077 3.564 -22.984 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.826 3.463 -22.993 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.082 4.009 -25.218 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.917 5.400 -24.557 1.00 0.00 H new ATOM 1242 N ARG A 75 -7.562 4.477 -20.162 1.00 0.00 N ATOM 1243 CA ARG A 75 -8.838 4.389 -19.459 1.00 0.00 C ATOM 1244 C ARG A 75 -8.999 5.526 -18.450 1.00 0.00 C ATOM 1245 O ARG A 75 -9.875 5.477 -17.586 1.00 0.00 O ATOM 1246 CB ARG A 75 -8.956 3.041 -18.747 1.00 0.00 C ATOM 1247 CG ARG A 75 -9.297 1.889 -19.678 1.00 0.00 C ATOM 1248 CD ARG A 75 -8.750 0.568 -19.159 1.00 0.00 C ATOM 1249 NE ARG A 75 -9.810 -0.412 -18.936 1.00 0.00 N ATOM 1250 CZ ARG A 75 -10.401 -1.098 -19.912 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -10.038 -0.915 -21.175 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -11.358 -1.969 -19.624 1.00 0.00 N ATOM 0 H ARG A 75 -6.794 3.985 -19.706 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.633 4.478 -20.199 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.015 2.823 -18.242 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.723 3.113 -17.976 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.379 1.817 -19.788 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.889 2.088 -20.669 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.030 0.168 -19.873 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.212 0.739 -18.226 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.115 -0.580 -17.977 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.303 -0.246 -21.402 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.494 -1.443 -21.919 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.641 -2.113 -18.655 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.811 -2.495 -20.372 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.156 6.550 -18.564 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.214 7.693 -17.659 1.00 0.00 C ATOM 1268 C GLU A 76 -7.895 7.280 -16.226 1.00 0.00 C ATOM 1269 O GLU A 76 -8.380 7.888 -15.273 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.598 8.348 -17.721 1.00 0.00 C ATOM 1271 CG GLU A 76 -9.549 9.862 -17.843 1.00 0.00 C ATOM 1272 CD GLU A 76 -9.299 10.324 -19.264 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -8.133 10.276 -19.708 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -10.270 10.733 -19.935 1.00 0.00 O ATOM 0 H GLU A 76 -7.426 6.611 -19.274 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.462 8.414 -17.980 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.146 7.941 -18.571 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.157 8.082 -16.824 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.490 10.282 -17.489 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.763 10.250 -17.195 1.00 0.00 H new ATOM 1281 N TYR A 77 -7.071 6.247 -16.079 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.684 5.761 -14.759 1.00 0.00 C ATOM 1283 C TYR A 77 -5.322 6.315 -14.358 1.00 0.00 C ATOM 1284 O TYR A 77 -5.157 6.851 -13.263 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.653 4.231 -14.740 1.00 0.00 C ATOM 1286 CG TYR A 77 -7.997 3.599 -14.451 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -8.975 3.519 -15.434 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -8.287 3.084 -13.193 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -10.203 2.943 -15.173 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -9.513 2.507 -12.924 1.00 0.00 C ATOM 1291 CZ TYR A 77 -10.468 2.439 -13.917 1.00 0.00 C ATOM 1292 OH TYR A 77 -11.690 1.864 -13.654 1.00 0.00 O ATOM 0 H TYR A 77 -6.659 5.731 -16.856 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.426 6.108 -14.039 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.292 3.872 -15.704 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.937 3.900 -13.988 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.772 3.914 -16.419 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.542 3.136 -12.413 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.952 2.888 -15.949 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.723 2.111 -11.941 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.714 1.558 -12.723 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.349 6.185 -15.254 1.00 0.00 N ATOM 1303 CA LEU A 78 -3.000 6.677 -14.997 1.00 0.00 C ATOM 1304 C LEU A 78 -2.601 7.731 -16.025 1.00 0.00 C ATOM 1305 O LEU A 78 -3.249 7.878 -17.060 1.00 0.00 O ATOM 1306 CB LEU A 78 -1.996 5.522 -15.019 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.400 4.294 -14.200 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -1.272 3.273 -14.176 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.785 4.698 -12.785 1.00 0.00 C ATOM 0 H LEU A 78 -4.470 5.743 -16.165 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.992 7.136 -14.008 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.842 5.215 -16.053 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.038 5.887 -14.649 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.268 3.836 -14.674 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.578 2.407 -13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.044 2.959 -15.195 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.385 3.721 -13.727 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.069 3.811 -12.218 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.936 5.182 -12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.626 5.391 -12.820 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.530 8.463 -15.732 1.00 0.00 N ATOM 1322 CA ALA A 79 -1.048 9.503 -16.633 1.00 0.00 C ATOM 1323 C ALA A 79 0.475 9.571 -16.631 1.00 0.00 C ATOM 1324 O ALA A 79 1.113 9.401 -15.592 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.638 10.851 -16.246 1.00 0.00 C ATOM 0 H ALA A 79 -0.981 8.355 -14.879 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.372 9.252 -17.643 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.270 11.618 -16.927 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.725 10.803 -16.307 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.342 11.098 -15.226 1.00 0.00 H new ATOM 1331 N ARG A 80 1.052 9.823 -17.803 1.00 0.00 N ATOM 1332 CA ARG A 80 2.500 9.915 -17.938 1.00 0.00 C ATOM 1333 C ARG A 80 2.977 11.344 -17.696 1.00 0.00 C ATOM 1334 O ARG A 80 2.275 12.305 -18.011 1.00 0.00 O ATOM 1335 CB ARG A 80 2.933 9.450 -19.330 1.00 0.00 C ATOM 1336 CG ARG A 80 4.425 9.189 -19.449 1.00 0.00 C ATOM 1337 CD ARG A 80 4.956 9.596 -20.815 1.00 0.00 C ATOM 1338 NE ARG A 80 4.103 9.117 -21.900 1.00 0.00 N ATOM 1339 CZ ARG A 80 4.129 9.611 -23.137 1.00 0.00 C ATOM 1340 NH1 ARG A 80 4.965 10.594 -23.449 1.00 0.00 N ATOM 1341 NH2 ARG A 80 3.320 9.118 -24.064 1.00 0.00 N ATOM 0 H ARG A 80 0.538 9.967 -18.672 1.00 0.00 H new ATOM 0 HA ARG A 80 2.953 9.267 -17.188 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.392 8.538 -19.584 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.646 10.205 -20.062 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.955 9.741 -18.673 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.625 8.131 -19.281 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.031 10.682 -20.866 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.963 9.201 -20.945 1.00 0.00 H new ATOM 0 HE ARG A 80 3.449 8.360 -21.699 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.592 10.975 -22.740 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.981 10.968 -24.398 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.678 8.361 -23.830 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.340 9.496 -25.011 1.00 0.00 H new ATOM 1355 N THR A 81 4.174 11.477 -17.134 1.00 0.00 N ATOM 1356 CA THR A 81 4.742 12.791 -16.849 1.00 0.00 C ATOM 1357 C THR A 81 5.438 13.363 -18.083 1.00 0.00 C ATOM 1358 O THR A 81 6.019 12.623 -18.877 1.00 0.00 O ATOM 1359 CB THR A 81 5.733 12.700 -15.688 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.871 11.942 -16.057 1.00 0.00 O ATOM 1361 CG2 THR A 81 5.143 12.067 -14.446 1.00 0.00 C ATOM 0 H THR A 81 4.769 10.693 -16.867 1.00 0.00 H new ATOM 0 HA THR A 81 3.927 13.459 -16.571 1.00 0.00 H new ATOM 0 HB THR A 81 6.003 13.731 -15.458 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.827 11.730 -17.013 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.898 12.033 -13.661 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.292 12.657 -14.106 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.813 11.054 -14.676 1.00 0.00 H new ATOM 1369 N PRO A 82 5.386 14.695 -18.261 1.00 0.00 N ATOM 1370 CA PRO A 82 6.013 15.362 -19.406 1.00 0.00 C ATOM 1371 C PRO A 82 7.530 15.441 -19.271 1.00 0.00 C ATOM 1372 O PRO A 82 8.253 15.440 -20.268 1.00 0.00 O ATOM 1373 CB PRO A 82 5.401 16.762 -19.372 1.00 0.00 C ATOM 1374 CG PRO A 82 5.084 16.997 -17.936 1.00 0.00 C ATOM 1375 CD PRO A 82 4.712 15.654 -17.364 1.00 0.00 C ATOM 0 HA PRO A 82 5.839 14.826 -20.339 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.098 17.509 -19.752 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.505 16.818 -19.990 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.941 17.420 -17.412 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.264 17.707 -17.829 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.054 15.548 -16.334 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.632 15.506 -17.358 1.00 0.00 H new ATOM 1383 N GLU A 83 8.007 15.511 -18.033 1.00 0.00 N ATOM 1384 CA GLU A 83 9.439 15.591 -17.766 1.00 0.00 C ATOM 1385 C GLU A 83 10.171 14.391 -18.358 1.00 0.00 C ATOM 1386 O GLU A 83 11.189 14.544 -19.034 1.00 0.00 O ATOM 1387 CB GLU A 83 9.697 15.667 -16.260 1.00 0.00 C ATOM 1388 CG GLU A 83 8.945 16.794 -15.570 1.00 0.00 C ATOM 1389 CD GLU A 83 9.800 17.535 -14.562 1.00 0.00 C ATOM 1390 OE1 GLU A 83 10.934 17.921 -14.915 1.00 0.00 O ATOM 1391 OE2 GLU A 83 9.338 17.726 -13.418 1.00 0.00 O ATOM 0 H GLU A 83 7.422 15.514 -17.197 1.00 0.00 H new ATOM 0 HA GLU A 83 9.820 16.496 -18.239 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.413 14.719 -15.803 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.766 15.796 -16.089 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.583 17.497 -16.320 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.068 16.386 -15.067 1.00 0.00 H new ATOM 1398 N ASP A 84 9.647 13.198 -18.100 1.00 0.00 N ATOM 1399 CA ASP A 84 10.251 11.972 -18.608 1.00 0.00 C ATOM 1400 C ASP A 84 9.186 10.920 -18.894 1.00 0.00 C ATOM 1401 O ASP A 84 8.058 11.016 -18.409 1.00 0.00 O ATOM 1402 CB ASP A 84 11.270 11.427 -17.604 1.00 0.00 C ATOM 1403 CG ASP A 84 12.693 11.809 -17.960 1.00 0.00 C ATOM 1404 OD1 ASP A 84 13.207 11.299 -18.978 1.00 0.00 O ATOM 1405 OD2 ASP A 84 13.294 12.618 -17.221 1.00 0.00 O ATOM 0 H ASP A 84 8.805 13.054 -17.542 1.00 0.00 H new ATOM 0 HA ASP A 84 10.762 12.207 -19.541 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.033 11.804 -16.609 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.188 10.341 -17.561 1.00 0.00 H new ATOM 1410 N ARG A 85 9.551 9.914 -19.682 1.00 0.00 N ATOM 1411 CA ARG A 85 8.626 8.843 -20.031 1.00 0.00 C ATOM 1412 C ARG A 85 8.852 7.620 -19.148 1.00 0.00 C ATOM 1413 O ARG A 85 8.713 6.483 -19.598 1.00 0.00 O ATOM 1414 CB ARG A 85 8.785 8.462 -21.504 1.00 0.00 C ATOM 1415 CG ARG A 85 10.196 8.034 -21.874 1.00 0.00 C ATOM 1416 CD ARG A 85 10.285 7.611 -23.331 1.00 0.00 C ATOM 1417 NE ARG A 85 11.644 7.232 -23.710 1.00 0.00 N ATOM 1418 CZ ARG A 85 12.063 7.134 -24.970 1.00 0.00 C ATOM 1419 NH1 ARG A 85 11.232 7.389 -25.974 1.00 0.00 N ATOM 1420 NH2 ARG A 85 13.314 6.781 -25.228 1.00 0.00 N ATOM 0 H ARG A 85 10.481 9.818 -20.091 1.00 0.00 H new ATOM 0 HA ARG A 85 7.611 9.205 -19.866 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.096 7.651 -21.737 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.498 9.312 -22.123 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.887 8.857 -21.690 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.506 7.208 -21.234 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.613 6.771 -23.506 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.946 8.429 -23.967 1.00 0.00 H new ATOM 0 HE ARG A 85 12.311 7.031 -22.965 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.268 7.661 -25.782 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.558 7.313 -26.938 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.957 6.584 -24.461 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.634 6.706 -26.194 1.00 0.00 H new ATOM 1434 N LYS A 86 9.201 7.862 -17.889 1.00 0.00 N ATOM 1435 CA LYS A 86 9.446 6.782 -16.941 1.00 0.00 C ATOM 1436 C LYS A 86 8.715 7.032 -15.626 1.00 0.00 C ATOM 1437 O LYS A 86 9.135 6.554 -14.572 1.00 0.00 O ATOM 1438 CB LYS A 86 10.946 6.632 -16.684 1.00 0.00 C ATOM 1439 CG LYS A 86 11.649 5.726 -17.681 1.00 0.00 C ATOM 1440 CD LYS A 86 13.008 5.280 -17.167 1.00 0.00 C ATOM 1441 CE LYS A 86 14.042 5.248 -18.283 1.00 0.00 C ATOM 1442 NZ LYS A 86 14.976 4.097 -18.140 1.00 0.00 N ATOM 0 H LYS A 86 9.321 8.798 -17.501 1.00 0.00 H new ATOM 0 HA LYS A 86 9.064 5.858 -17.376 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.411 7.618 -16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.096 6.237 -15.679 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.029 4.852 -17.880 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.772 6.251 -18.628 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.341 5.957 -16.380 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.922 4.289 -16.720 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.535 5.187 -19.246 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.609 6.179 -18.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.665 4.110 -18.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.478 4.168 -17.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.438 3.208 -18.169 1.00 0.00 H new ATOM 1456 N VAL A 87 7.619 7.781 -15.694 1.00 0.00 N ATOM 1457 CA VAL A 87 6.831 8.091 -14.508 1.00 0.00 C ATOM 1458 C VAL A 87 5.339 8.064 -14.819 1.00 0.00 C ATOM 1459 O VAL A 87 4.921 8.382 -15.932 1.00 0.00 O ATOM 1460 CB VAL A 87 7.198 9.473 -13.934 1.00 0.00 C ATOM 1461 CG1 VAL A 87 6.534 9.684 -12.582 1.00 0.00 C ATOM 1462 CG2 VAL A 87 8.708 9.623 -13.823 1.00 0.00 C ATOM 0 H VAL A 87 7.257 8.184 -16.558 1.00 0.00 H new ATOM 0 HA VAL A 87 7.061 7.325 -13.767 1.00 0.00 H new ATOM 0 HB VAL A 87 6.830 10.238 -14.617 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.805 10.665 -12.193 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.451 9.625 -12.695 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.869 8.913 -11.888 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.947 10.605 -13.416 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.103 8.851 -13.163 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.157 9.521 -14.811 1.00 0.00 H new ATOM 1472 N TYR A 88 4.539 7.682 -13.829 1.00 0.00 N ATOM 1473 CA TYR A 88 3.093 7.613 -14.000 1.00 0.00 C ATOM 1474 C TYR A 88 2.373 8.259 -12.821 1.00 0.00 C ATOM 1475 O TYR A 88 2.950 8.433 -11.748 1.00 0.00 O ATOM 1476 CB TYR A 88 2.644 6.160 -14.151 1.00 0.00 C ATOM 1477 CG TYR A 88 3.344 5.422 -15.270 1.00 0.00 C ATOM 1478 CD1 TYR A 88 3.083 5.730 -16.600 1.00 0.00 C ATOM 1479 CD2 TYR A 88 4.265 4.419 -14.996 1.00 0.00 C ATOM 1480 CE1 TYR A 88 3.723 5.057 -17.625 1.00 0.00 C ATOM 1481 CE2 TYR A 88 4.908 3.743 -16.015 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.633 4.066 -17.328 1.00 0.00 C ATOM 1483 OH TYR A 88 5.271 3.395 -18.346 1.00 0.00 O ATOM 0 H TYR A 88 4.868 7.416 -12.901 1.00 0.00 H new ATOM 0 HA TYR A 88 2.834 8.162 -14.906 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.823 5.634 -13.213 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.569 6.138 -14.329 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.370 6.506 -16.837 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.482 4.163 -13.969 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.510 5.307 -18.654 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.622 2.966 -15.785 1.00 0.00 H new ATOM 0 HH TYR A 88 5.881 2.729 -17.967 1.00 0.00 H new ATOM 1493 N THR A 89 1.109 8.614 -13.029 1.00 0.00 N ATOM 1494 CA THR A 89 0.309 9.241 -11.984 1.00 0.00 C ATOM 1495 C THR A 89 -1.033 8.533 -11.829 1.00 0.00 C ATOM 1496 O THR A 89 -1.342 7.597 -12.568 1.00 0.00 O ATOM 1497 CB THR A 89 0.086 10.720 -12.302 1.00 0.00 C ATOM 1498 OG1 THR A 89 -0.786 10.869 -13.408 1.00 0.00 O ATOM 1499 CG2 THR A 89 1.365 11.463 -12.623 1.00 0.00 C ATOM 0 H THR A 89 0.617 8.478 -13.912 1.00 0.00 H new ATOM 0 HA THR A 89 0.854 9.158 -11.044 1.00 0.00 H new ATOM 0 HB THR A 89 -0.346 11.148 -11.397 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.120 11.790 -13.440 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.135 12.506 -12.839 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.041 11.409 -11.770 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.841 11.009 -13.492 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.828 8.986 -10.865 1.00 0.00 N ATOM 1508 CA TYR A 90 -3.138 8.396 -10.614 1.00 0.00 C ATOM 1509 C TYR A 90 -4.245 9.431 -10.786 1.00 0.00 C ATOM 1510 O TYR A 90 -4.250 10.465 -10.118 1.00 0.00 O ATOM 1511 CB TYR A 90 -3.192 7.806 -9.203 1.00 0.00 C ATOM 1512 CG TYR A 90 -4.291 6.784 -9.015 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.337 5.633 -9.792 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -5.282 6.970 -8.059 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.339 4.698 -9.623 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.288 6.039 -7.884 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.312 4.905 -8.669 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.312 3.976 -8.497 1.00 0.00 O ATOM 0 H TYR A 90 -1.588 9.760 -10.245 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.295 7.600 -11.341 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.233 7.341 -8.976 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.333 8.614 -8.485 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.576 5.467 -10.541 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.266 7.857 -7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.360 3.809 -10.235 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.051 6.198 -7.137 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.915 4.273 -7.784 1.00 0.00 H new ATOM 1528 N VAL A 91 -5.179 9.146 -11.686 1.00 0.00 N ATOM 1529 CA VAL A 91 -6.292 10.052 -11.947 1.00 0.00 C ATOM 1530 C VAL A 91 -7.617 9.299 -11.997 1.00 0.00 C ATOM 1531 O VAL A 91 -8.538 9.691 -12.714 1.00 0.00 O ATOM 1532 CB VAL A 91 -6.100 10.819 -13.266 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -5.122 11.969 -13.082 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -5.627 9.879 -14.361 1.00 0.00 C ATOM 0 H VAL A 91 -5.188 8.295 -12.248 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.314 10.765 -11.123 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.061 11.238 -13.564 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.001 12.498 -14.027 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.506 12.656 -12.328 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.157 11.578 -12.759 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.496 10.437 -15.288 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.677 9.430 -14.070 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.368 9.094 -14.512 1.00 0.00 H new ATOM 1544 N ALA A 92 -7.706 8.217 -11.231 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.918 7.408 -11.189 1.00 0.00 C ATOM 1546 C ALA A 92 -9.579 7.482 -9.816 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.602 5.964 -11.548 1.00 0.00 C ATOM 0 H ALA A 92 -6.953 7.880 -10.631 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.618 7.808 -11.923 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.516 5.372 -11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.182 5.923 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.881 5.562 -10.836 1.00 0.00 H new