USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 644 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 43 LYS NZ :NH3+ -168:sc= 0.0731 (180deg=0) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.512 X(o=-0.44,f=-0.16) USER MOD Set 2.1: A 34 THR OG1 : rot -39:sc= 0.17 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= -0.101 (180deg=-0.473) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0775 USER MOD Single : A 37 MET CE :methyl 171:sc= 0 (180deg=-0.088) USER MOD Single : A 46 CYS SG : rot -42:sc= 0.842 USER MOD Single : A 48 SER OG : rot 82:sc= 0.54 USER MOD Single : A 49 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-0.99) USER MOD Single : A 50 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.083) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 35:sc= -1.1 USER MOD Single : A 61 ASN : amide:sc= -0.365 K(o=-0.37,f=-1.7) USER MOD Single : A 65 THR OG1 : rot 50:sc= 1.18 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -148:sc= -5.13! (180deg=-7.92!) USER MOD Single : A 71 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-2.8!) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.062 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 90 HIS : no HD1:sc= 0.0496 K(o=0.05,f=-0.62) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -93:sc= 1.3 USER MOD Single : A 104 GLN : amide:sc= -4.62! C(o=-4.6!,f=-7.2!) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=0.64) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 102:sc= 1.29 USER MOD Single : A 112 GLN : amide:sc= -0.734 K(o=-0.73,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.564 -1.556 -3.098 1.00 0.00 N ATOM 318 CA LYS A 21 3.533 -1.755 -1.651 1.00 0.00 C ATOM 319 C LYS A 21 2.118 -2.079 -1.184 1.00 0.00 C ATOM 320 O LYS A 21 1.793 -3.231 -0.892 1.00 0.00 O ATOM 321 CB LYS A 21 4.030 -0.504 -0.920 1.00 0.00 C ATOM 322 CG LYS A 21 5.516 -0.514 -0.599 1.00 0.00 C ATOM 323 CD LYS A 21 6.176 0.795 -1.005 1.00 0.00 C ATOM 324 CE LYS A 21 7.535 0.567 -1.643 1.00 0.00 C ATOM 325 NZ LYS A 21 7.984 1.754 -2.422 1.00 0.00 N ATOM 0 HA LYS A 21 4.191 -2.592 -1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.808 0.371 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.471 -0.394 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.659 -0.680 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.997 -1.343 -1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.530 1.326 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.288 1.433 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.268 0.342 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.488 -0.302 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.915 1.561 -2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.297 1.954 -3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.053 2.578 -1.791 1.00 0.00 H new ATOM 339 N ARG A 22 1.282 -1.046 -1.112 1.00 0.00 N ATOM 340 CA ARG A 22 -0.098 -1.201 -0.675 1.00 0.00 C ATOM 341 C ARG A 22 -1.071 -0.960 -1.827 1.00 0.00 C ATOM 342 O ARG A 22 -0.785 -0.195 -2.746 1.00 0.00 O ATOM 343 CB ARG A 22 -0.396 -0.228 0.469 1.00 0.00 C ATOM 344 CG ARG A 22 0.464 -0.453 1.705 1.00 0.00 C ATOM 345 CD ARG A 22 1.522 0.631 1.869 1.00 0.00 C ATOM 346 NE ARG A 22 0.943 1.973 1.919 1.00 0.00 N ATOM 347 CZ ARG A 22 0.155 2.407 2.900 1.00 0.00 C ATOM 348 NH1 ARG A 22 -0.149 1.613 3.920 1.00 0.00 N ATOM 349 NH2 ARG A 22 -0.321 3.644 2.871 1.00 0.00 N ATOM 0 H ARG A 22 1.541 -0.089 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.230 -2.225 -0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.247 0.792 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.446 -0.319 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.172 -0.476 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.950 -1.426 1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.087 0.448 2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.228 0.574 1.041 1.00 0.00 H new ATOM 0 HE ARG A 22 1.156 2.615 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.222 0.664 3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.753 1.953 4.668 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.083 4.264 2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.925 3.976 3.623 1.00 0.00 H new ATOM 363 N LYS A 23 -2.216 -1.634 -1.775 1.00 0.00 N ATOM 364 CA LYS A 23 -3.230 -1.508 -2.818 1.00 0.00 C ATOM 365 C LYS A 23 -4.618 -1.307 -2.211 1.00 0.00 C ATOM 366 O LYS A 23 -5.184 -2.226 -1.615 1.00 0.00 O ATOM 367 CB LYS A 23 -3.222 -2.752 -3.707 1.00 0.00 C ATOM 368 CG LYS A 23 -2.320 -2.621 -4.923 1.00 0.00 C ATOM 369 CD LYS A 23 -2.993 -3.141 -6.184 1.00 0.00 C ATOM 370 CE LYS A 23 -2.547 -4.556 -6.519 1.00 0.00 C ATOM 371 NZ LYS A 23 -1.094 -4.624 -6.847 1.00 0.00 N ATOM 0 H LYS A 23 -2.466 -2.274 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.992 -0.632 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.900 -3.609 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.239 -2.958 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.047 -1.575 -5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.395 -3.172 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.075 -3.122 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.762 -2.480 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.758 -5.212 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.127 -4.928 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.914 -5.448 -7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.810 -3.757 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.544 -4.714 -5.969 1.00 0.00 H new ATOM 385 N ILE A 24 -5.160 -0.100 -2.357 1.00 0.00 N ATOM 386 CA ILE A 24 -6.479 0.219 -1.818 1.00 0.00 C ATOM 387 C ILE A 24 -7.559 0.042 -2.873 1.00 0.00 C ATOM 388 O ILE A 24 -7.296 0.165 -4.069 1.00 0.00 O ATOM 389 CB ILE A 24 -6.530 1.665 -1.288 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.306 1.941 -0.416 1.00 0.00 C ATOM 391 CG2 ILE A 24 -7.816 1.903 -0.508 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.289 3.323 0.195 1.00 0.00 C ATOM 0 H ILE A 24 -4.706 0.673 -2.844 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.662 -0.472 -0.995 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.518 2.353 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.267 1.201 0.383 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.406 1.809 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.835 2.929 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.673 1.735 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.862 1.215 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.390 3.443 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.296 4.071 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.169 3.453 0.824 1.00 0.00 H new ATOM 404 N ILE A 25 -8.778 -0.241 -2.433 1.00 0.00 N ATOM 405 CA ILE A 25 -9.895 -0.431 -3.347 1.00 0.00 C ATOM 406 C ILE A 25 -11.074 0.435 -2.929 1.00 0.00 C ATOM 407 O ILE A 25 -11.322 0.636 -1.741 1.00 0.00 O ATOM 408 CB ILE A 25 -10.311 -1.920 -3.410 1.00 0.00 C ATOM 409 CG1 ILE A 25 -11.569 -2.126 -4.253 1.00 0.00 C ATOM 410 CG2 ILE A 25 -10.535 -2.466 -2.017 1.00 0.00 C ATOM 411 CD1 ILE A 25 -11.409 -1.718 -5.696 1.00 0.00 C ATOM 0 H ILE A 25 -9.018 -0.344 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.575 -0.127 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.494 -2.462 -3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.854 -3.177 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.387 -1.556 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.827 -3.514 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.614 -2.380 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.325 -1.898 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.343 -1.894 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.155 -0.659 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.613 -2.306 -6.154 1.00 0.00 H new ATOM 423 N VAL A 26 -11.805 0.943 -3.911 1.00 0.00 N ATOM 424 CA VAL A 26 -12.966 1.785 -3.637 1.00 0.00 C ATOM 425 C VAL A 26 -14.194 1.259 -4.369 1.00 0.00 C ATOM 426 O VAL A 26 -14.245 1.256 -5.599 1.00 0.00 O ATOM 427 CB VAL A 26 -12.711 3.256 -4.037 1.00 0.00 C ATOM 428 CG1 VAL A 26 -12.222 3.344 -5.473 1.00 0.00 C ATOM 429 CG2 VAL A 26 -13.963 4.106 -3.838 1.00 0.00 C ATOM 0 H VAL A 26 -11.618 0.789 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.145 1.750 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.932 3.651 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.048 4.388 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.292 2.785 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.974 2.923 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.753 5.136 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.771 3.713 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.260 4.077 -2.790 1.00 0.00 H new ATOM 439 N ALA A 27 -15.180 0.807 -3.606 1.00 0.00 N ATOM 440 CA ALA A 27 -16.401 0.273 -4.192 1.00 0.00 C ATOM 441 C ALA A 27 -17.572 1.226 -4.001 1.00 0.00 C ATOM 442 O ALA A 27 -17.902 1.606 -2.877 1.00 0.00 O ATOM 443 CB ALA A 27 -16.718 -1.093 -3.606 1.00 0.00 C ATOM 0 H ALA A 27 -15.159 0.799 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.237 0.162 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.634 -1.478 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.896 -1.778 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.852 -1.004 -2.528 1.00 0.00 H new ATOM 449 N CYS A 28 -18.193 1.612 -5.111 1.00 0.00 N ATOM 450 CA CYS A 28 -19.328 2.525 -5.075 1.00 0.00 C ATOM 451 C CYS A 28 -19.870 2.774 -6.480 1.00 0.00 C ATOM 452 O CYS A 28 -19.278 2.349 -7.470 1.00 0.00 O ATOM 453 CB CYS A 28 -18.920 3.851 -4.433 1.00 0.00 C ATOM 454 SG CYS A 28 -17.667 4.765 -5.363 1.00 0.00 S ATOM 0 H CYS A 28 -17.928 1.306 -6.047 1.00 0.00 H new ATOM 0 HA CYS A 28 -20.115 2.065 -4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -19.805 4.477 -4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.542 3.656 -3.429 1.00 0.00 H new ATOM 0 HG CYS A 28 -17.389 5.873 -4.743 1.00 0.00 H new ATOM 510 N THR A 34 -18.814 11.388 -7.199 1.00 0.00 N ATOM 511 CA THR A 34 -18.377 10.524 -6.102 1.00 0.00 C ATOM 512 C THR A 34 -17.183 9.666 -6.515 1.00 0.00 C ATOM 513 O THR A 34 -16.291 9.404 -5.709 1.00 0.00 O ATOM 514 CB THR A 34 -19.520 9.620 -5.635 1.00 0.00 C ATOM 515 OG1 THR A 34 -20.097 8.937 -6.729 1.00 0.00 O ATOM 516 CG2 THR A 34 -20.626 10.365 -4.923 1.00 0.00 C ATOM 0 HA THR A 34 -18.073 11.171 -5.279 1.00 0.00 H new ATOM 0 HB THR A 34 -19.065 8.925 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.143 9.537 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.402 9.662 -4.620 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.221 10.861 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 34 -21.053 11.110 -5.594 1.00 0.00 H new ATOM 524 N SER A 35 -17.172 9.231 -7.772 1.00 0.00 N ATOM 525 CA SER A 35 -16.087 8.403 -8.287 1.00 0.00 C ATOM 526 C SER A 35 -14.855 9.250 -8.577 1.00 0.00 C ATOM 527 O SER A 35 -13.776 8.998 -8.040 1.00 0.00 O ATOM 528 CB SER A 35 -16.529 7.671 -9.556 1.00 0.00 C ATOM 529 OG SER A 35 -17.935 7.496 -9.580 1.00 0.00 O ATOM 0 H SER A 35 -17.903 9.439 -8.453 1.00 0.00 H new ATOM 0 HA SER A 35 -15.832 7.666 -7.526 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.215 8.236 -10.434 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.037 6.700 -9.609 1.00 0.00 H new ATOM 0 HG SER A 35 -18.192 7.028 -10.401 1.00 0.00 H new ATOM 535 N THR A 36 -15.022 10.259 -9.422 1.00 0.00 N ATOM 536 CA THR A 36 -13.920 11.143 -9.770 1.00 0.00 C ATOM 537 C THR A 36 -13.435 11.892 -8.535 1.00 0.00 C ATOM 538 O THR A 36 -12.236 11.968 -8.274 1.00 0.00 O ATOM 539 CB THR A 36 -14.348 12.133 -10.854 1.00 0.00 C ATOM 540 OG1 THR A 36 -15.419 11.609 -11.618 1.00 0.00 O ATOM 541 CG2 THR A 36 -13.231 12.487 -11.810 1.00 0.00 C ATOM 0 H THR A 36 -15.907 10.484 -9.877 1.00 0.00 H new ATOM 0 HA THR A 36 -13.101 10.538 -10.158 1.00 0.00 H new ATOM 0 HB THR A 36 -14.650 13.035 -10.321 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.679 12.258 -12.305 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.599 13.193 -12.555 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.408 12.940 -11.257 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.879 11.584 -12.309 1.00 0.00 H new ATOM 549 N MET A 37 -14.378 12.440 -7.772 1.00 0.00 N ATOM 550 CA MET A 37 -14.051 13.183 -6.558 1.00 0.00 C ATOM 551 C MET A 37 -13.127 12.375 -5.648 1.00 0.00 C ATOM 552 O MET A 37 -12.060 12.848 -5.255 1.00 0.00 O ATOM 553 CB MET A 37 -15.329 13.557 -5.803 1.00 0.00 C ATOM 554 CG MET A 37 -15.671 15.036 -5.880 1.00 0.00 C ATOM 555 SD MET A 37 -17.204 15.441 -5.020 1.00 0.00 S ATOM 556 CE MET A 37 -16.675 15.327 -3.312 1.00 0.00 C ATOM 0 H MET A 37 -15.376 12.383 -7.974 1.00 0.00 H new ATOM 0 HA MET A 37 -13.530 14.094 -6.854 1.00 0.00 H new ATOM 0 HB2 MET A 37 -16.161 12.979 -6.205 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.219 13.272 -4.757 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.854 15.617 -5.451 1.00 0.00 H new ATOM 0 HG3 MET A 37 -15.757 15.331 -6.926 1.00 0.00 H new ATOM 0 HE1 MET A 37 -17.464 15.704 -2.661 1.00 0.00 H new ATOM 0 HE2 MET A 37 -16.467 14.286 -3.064 1.00 0.00 H new ATOM 0 HE3 MET A 37 -15.772 15.921 -3.170 1.00 0.00 H new ATOM 566 N ALA A 38 -13.542 11.157 -5.316 1.00 0.00 N ATOM 567 CA ALA A 38 -12.747 10.291 -4.452 1.00 0.00 C ATOM 568 C ALA A 38 -11.413 9.939 -5.102 1.00 0.00 C ATOM 569 O ALA A 38 -10.354 10.125 -4.505 1.00 0.00 O ATOM 570 CB ALA A 38 -13.521 9.026 -4.113 1.00 0.00 C ATOM 0 H ALA A 38 -14.422 10.748 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.540 10.834 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.915 8.390 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.444 9.291 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.760 8.489 -5.031 1.00 0.00 H new ATOM 576 N ALA A 39 -11.474 9.427 -6.328 1.00 0.00 N ATOM 577 CA ALA A 39 -10.269 9.046 -7.058 1.00 0.00 C ATOM 578 C ALA A 39 -9.278 10.203 -7.141 1.00 0.00 C ATOM 579 O ALA A 39 -8.121 10.069 -6.742 1.00 0.00 O ATOM 580 CB ALA A 39 -10.630 8.554 -8.452 1.00 0.00 C ATOM 0 H ALA A 39 -12.344 9.267 -6.836 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.788 8.236 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.722 8.273 -8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.287 7.688 -8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.140 9.348 -8.997 1.00 0.00 H new ATOM 586 N GLU A 40 -9.735 11.341 -7.659 1.00 0.00 N ATOM 587 CA GLU A 40 -8.878 12.515 -7.785 1.00 0.00 C ATOM 588 C GLU A 40 -8.354 12.948 -6.420 1.00 0.00 C ATOM 589 O GLU A 40 -7.212 13.389 -6.295 1.00 0.00 O ATOM 590 CB GLU A 40 -9.639 13.672 -8.444 1.00 0.00 C ATOM 591 CG GLU A 40 -9.116 14.036 -9.824 1.00 0.00 C ATOM 592 CD GLU A 40 -9.323 12.928 -10.838 1.00 0.00 C ATOM 593 OE1 GLU A 40 -8.759 11.831 -10.641 1.00 0.00 O ATOM 594 OE2 GLU A 40 -10.048 13.157 -11.828 1.00 0.00 O ATOM 0 H GLU A 40 -10.688 11.474 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.031 12.247 -8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.693 13.405 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.580 14.549 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.617 14.939 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.053 14.267 -9.756 1.00 0.00 H new ATOM 601 N GLU A 41 -9.197 12.816 -5.400 1.00 0.00 N ATOM 602 CA GLU A 41 -8.822 13.192 -4.042 1.00 0.00 C ATOM 603 C GLU A 41 -7.781 12.230 -3.473 1.00 0.00 C ATOM 604 O GLU A 41 -6.729 12.650 -2.990 1.00 0.00 O ATOM 605 CB GLU A 41 -10.060 13.215 -3.141 1.00 0.00 C ATOM 606 CG GLU A 41 -10.925 14.454 -3.329 1.00 0.00 C ATOM 607 CD GLU A 41 -10.807 15.440 -2.181 1.00 0.00 C ATOM 608 OE1 GLU A 41 -10.077 15.146 -1.212 1.00 0.00 O ATOM 609 OE2 GLU A 41 -11.448 16.511 -2.253 1.00 0.00 O ATOM 0 H GLU A 41 -10.145 12.451 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.383 14.189 -4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.661 12.328 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.743 13.158 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.642 14.950 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.967 14.151 -3.434 1.00 0.00 H new ATOM 616 N ILE A 42 -8.080 10.938 -3.533 1.00 0.00 N ATOM 617 CA ILE A 42 -7.170 9.922 -3.023 1.00 0.00 C ATOM 618 C ILE A 42 -5.890 9.869 -3.852 1.00 0.00 C ATOM 619 O ILE A 42 -4.792 9.743 -3.310 1.00 0.00 O ATOM 620 CB ILE A 42 -7.828 8.527 -3.017 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.179 8.581 -2.300 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.910 7.507 -2.356 1.00 0.00 C ATOM 623 CD1 ILE A 42 -10.206 7.630 -2.875 1.00 0.00 C ATOM 0 H ILE A 42 -8.945 10.570 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.925 10.200 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.996 8.217 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.031 8.349 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.568 9.598 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.390 6.529 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.971 7.453 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.711 7.809 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.139 7.722 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.383 7.875 -3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.837 6.607 -2.799 1.00 0.00 H new ATOM 635 N LYS A 43 -6.040 9.968 -5.169 1.00 0.00 N ATOM 636 CA LYS A 43 -4.897 9.932 -6.074 1.00 0.00 C ATOM 637 C LYS A 43 -3.930 11.074 -5.776 1.00 0.00 C ATOM 638 O LYS A 43 -2.756 10.844 -5.482 1.00 0.00 O ATOM 639 CB LYS A 43 -5.365 10.009 -7.527 1.00 0.00 C ATOM 640 CG LYS A 43 -4.258 9.755 -8.536 1.00 0.00 C ATOM 641 CD LYS A 43 -3.438 11.011 -8.793 1.00 0.00 C ATOM 642 CE LYS A 43 -3.233 11.246 -10.281 1.00 0.00 C ATOM 643 NZ LYS A 43 -2.515 12.523 -10.547 1.00 0.00 N ATOM 0 H LYS A 43 -6.942 10.074 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.374 8.988 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.161 9.281 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.793 10.994 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.606 8.962 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.691 9.404 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.941 11.872 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.470 10.922 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.668 10.416 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.200 11.262 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.572 12.749 -11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.953 13.289 -9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.517 12.425 -10.270 1.00 0.00 H new ATOM 657 N GLU A 44 -4.426 12.307 -5.853 1.00 0.00 N ATOM 658 CA GLU A 44 -3.591 13.474 -5.590 1.00 0.00 C ATOM 659 C GLU A 44 -2.936 13.369 -4.216 1.00 0.00 C ATOM 660 O GLU A 44 -1.844 13.894 -3.998 1.00 0.00 O ATOM 661 CB GLU A 44 -4.409 14.767 -5.693 1.00 0.00 C ATOM 662 CG GLU A 44 -5.456 14.926 -4.601 1.00 0.00 C ATOM 663 CD GLU A 44 -5.237 16.167 -3.754 1.00 0.00 C ATOM 664 OE1 GLU A 44 -5.295 17.284 -4.310 1.00 0.00 O ATOM 665 OE2 GLU A 44 -5.013 16.022 -2.534 1.00 0.00 O ATOM 0 H GLU A 44 -5.394 12.522 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.807 13.504 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.729 15.618 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.904 14.795 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.445 14.972 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.441 14.046 -3.959 1.00 0.00 H new ATOM 672 N LEU A 45 -3.610 12.694 -3.290 1.00 0.00 N ATOM 673 CA LEU A 45 -3.088 12.532 -1.939 1.00 0.00 C ATOM 674 C LEU A 45 -1.817 11.687 -1.922 1.00 0.00 C ATOM 675 O LEU A 45 -0.755 12.163 -1.524 1.00 0.00 O ATOM 676 CB LEU A 45 -4.145 11.898 -1.037 1.00 0.00 C ATOM 677 CG LEU A 45 -4.577 12.770 0.138 1.00 0.00 C ATOM 678 CD1 LEU A 45 -3.455 12.878 1.159 1.00 0.00 C ATOM 679 CD2 LEU A 45 -4.994 14.149 -0.353 1.00 0.00 C ATOM 0 H LEU A 45 -4.515 12.252 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.836 13.524 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.022 11.659 -1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.757 10.955 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.435 12.304 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.779 13.503 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.203 11.884 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.578 13.324 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.300 14.760 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.154 14.625 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.828 14.051 -1.048 1.00 0.00 H new ATOM 691 N CYS A 46 -1.931 10.430 -2.349 1.00 0.00 N ATOM 692 CA CYS A 46 -0.783 9.528 -2.370 1.00 0.00 C ATOM 693 C CYS A 46 0.424 10.201 -3.020 1.00 0.00 C ATOM 694 O CYS A 46 1.563 9.990 -2.606 1.00 0.00 O ATOM 695 CB CYS A 46 -1.135 8.228 -3.104 1.00 0.00 C ATOM 696 SG CYS A 46 -1.265 8.388 -4.902 1.00 0.00 S ATOM 0 H CYS A 46 -2.801 10.016 -2.683 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.522 9.284 -1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.377 7.479 -2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.082 7.853 -2.717 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.887 9.491 -5.196 1.00 0.00 H new ATOM 702 N GLN A 47 0.163 11.010 -4.040 1.00 0.00 N ATOM 703 CA GLN A 47 1.225 11.715 -4.748 1.00 0.00 C ATOM 704 C GLN A 47 1.755 12.888 -3.923 1.00 0.00 C ATOM 705 O GLN A 47 2.964 13.044 -3.756 1.00 0.00 O ATOM 706 CB GLN A 47 0.708 12.216 -6.098 1.00 0.00 C ATOM 707 CG GLN A 47 0.541 11.112 -7.130 1.00 0.00 C ATOM 708 CD GLN A 47 0.956 11.544 -8.524 1.00 0.00 C ATOM 709 OE1 GLN A 47 0.260 11.273 -9.502 1.00 0.00 O ATOM 710 NE2 GLN A 47 2.099 12.215 -8.624 1.00 0.00 N ATOM 0 H GLN A 47 -0.775 11.194 -4.395 1.00 0.00 H new ATOM 0 HA GLN A 47 2.046 11.017 -4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.251 12.712 -5.950 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.398 12.965 -6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.134 10.248 -6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.501 10.792 -7.148 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.646 12.419 -7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.429 12.526 -9.537 1.00 0.00 H new ATOM 719 N SER A 48 0.841 13.711 -3.414 1.00 0.00 N ATOM 720 CA SER A 48 1.211 14.874 -2.609 1.00 0.00 C ATOM 721 C SER A 48 2.091 14.476 -1.425 1.00 0.00 C ATOM 722 O SER A 48 3.100 15.124 -1.141 1.00 0.00 O ATOM 723 CB SER A 48 -0.047 15.580 -2.105 1.00 0.00 C ATOM 724 OG SER A 48 -0.651 16.346 -3.133 1.00 0.00 O ATOM 0 H SER A 48 -0.164 13.594 -3.545 1.00 0.00 H new ATOM 0 HA SER A 48 1.783 15.553 -3.242 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.757 14.842 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.208 16.228 -1.267 1.00 0.00 H new ATOM 0 HG SER A 48 -1.201 15.762 -3.696 1.00 0.00 H new ATOM 730 N HIS A 49 1.696 13.411 -0.737 1.00 0.00 N ATOM 731 CA HIS A 49 2.440 12.920 0.422 1.00 0.00 C ATOM 732 C HIS A 49 3.634 12.064 -0.006 1.00 0.00 C ATOM 733 O HIS A 49 4.505 11.750 0.805 1.00 0.00 O ATOM 734 CB HIS A 49 1.513 12.105 1.329 1.00 0.00 C ATOM 735 CG HIS A 49 1.436 12.609 2.738 1.00 0.00 C ATOM 736 ND1 HIS A 49 2.342 12.256 3.715 1.00 0.00 N ATOM 737 CD2 HIS A 49 0.541 13.430 3.339 1.00 0.00 C ATOM 738 CE1 HIS A 49 2.009 12.834 4.855 1.00 0.00 C ATOM 739 NE2 HIS A 49 0.920 13.554 4.654 1.00 0.00 N ATOM 0 H HIS A 49 0.862 12.868 -0.961 1.00 0.00 H new ATOM 0 HA HIS A 49 2.821 13.782 0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.511 12.104 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.854 11.070 1.343 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.312 13.900 2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.537 12.735 5.792 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.439 14.111 5.360 1.00 0.00 H new ATOM 748 N ASN A 50 3.667 11.686 -1.283 1.00 0.00 N ATOM 749 CA ASN A 50 4.751 10.866 -1.817 1.00 0.00 C ATOM 750 C ASN A 50 4.698 9.445 -1.258 1.00 0.00 C ATOM 751 O ASN A 50 5.724 8.876 -0.885 1.00 0.00 O ATOM 752 CB ASN A 50 6.113 11.502 -1.510 1.00 0.00 C ATOM 753 CG ASN A 50 6.152 12.983 -1.838 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.287 13.370 -2.998 1.00 0.00 O ATOM 755 ND2 ASN A 50 6.039 13.820 -0.811 1.00 0.00 N ATOM 0 H ASN A 50 2.953 11.936 -1.968 1.00 0.00 H new ATOM 0 HA ASN A 50 4.622 10.813 -2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.346 11.361 -0.455 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.887 10.987 -2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.063 14.827 -0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.929 13.455 0.135 1.00 0.00 H new ATOM 762 N ILE A 51 3.496 8.869 -1.213 1.00 0.00 N ATOM 763 CA ILE A 51 3.317 7.508 -0.710 1.00 0.00 C ATOM 764 C ILE A 51 2.975 6.544 -1.842 1.00 0.00 C ATOM 765 O ILE A 51 1.826 6.475 -2.275 1.00 0.00 O ATOM 766 CB ILE A 51 2.195 7.411 0.344 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.246 8.589 1.315 1.00 0.00 C ATOM 768 CG2 ILE A 51 2.303 6.094 1.100 1.00 0.00 C ATOM 769 CD1 ILE A 51 0.949 8.802 2.070 1.00 0.00 C ATOM 0 H ILE A 51 2.635 9.323 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 51 4.267 7.237 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 51 1.236 7.447 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.052 8.426 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.489 9.496 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.507 6.034 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.210 5.264 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.270 6.040 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.055 9.654 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.143 8.996 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.715 7.909 2.650 1.00 0.00 H new ATOM 781 N PRO A 52 3.961 5.778 -2.336 1.00 0.00 N ATOM 782 CA PRO A 52 3.731 4.814 -3.417 1.00 0.00 C ATOM 783 C PRO A 52 2.583 3.858 -3.093 1.00 0.00 C ATOM 784 O PRO A 52 2.706 3.000 -2.220 1.00 0.00 O ATOM 785 CB PRO A 52 5.057 4.055 -3.508 1.00 0.00 C ATOM 786 CG PRO A 52 6.072 4.993 -2.952 1.00 0.00 C ATOM 787 CD PRO A 52 5.364 5.783 -1.886 1.00 0.00 C ATOM 0 HA PRO A 52 3.446 5.300 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.021 3.127 -2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.289 3.787 -4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.920 4.449 -2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.464 5.649 -3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.473 5.322 -0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.758 6.796 -1.808 1.00 0.00 H new ATOM 795 N VAL A 53 1.471 4.013 -3.808 1.00 0.00 N ATOM 796 CA VAL A 53 0.295 3.167 -3.606 1.00 0.00 C ATOM 797 C VAL A 53 -0.543 3.094 -4.883 1.00 0.00 C ATOM 798 O VAL A 53 -0.441 3.962 -5.750 1.00 0.00 O ATOM 799 CB VAL A 53 -0.587 3.692 -2.451 1.00 0.00 C ATOM 800 CG1 VAL A 53 -1.751 2.750 -2.185 1.00 0.00 C ATOM 801 CG2 VAL A 53 0.239 3.885 -1.189 1.00 0.00 C ATOM 0 H VAL A 53 1.359 4.719 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 53 0.655 2.171 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.992 4.659 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.357 3.142 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.364 2.666 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.368 1.766 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.401 4.255 -0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.678 2.932 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.034 4.606 -1.381 1.00 0.00 H new ATOM 811 N GLU A 54 -1.376 2.061 -4.989 1.00 0.00 N ATOM 812 CA GLU A 54 -2.234 1.887 -6.162 1.00 0.00 C ATOM 813 C GLU A 54 -3.706 1.839 -5.759 1.00 0.00 C ATOM 814 O GLU A 54 -4.138 0.925 -5.057 1.00 0.00 O ATOM 815 CB GLU A 54 -1.867 0.609 -6.922 1.00 0.00 C ATOM 816 CG GLU A 54 -0.376 0.311 -6.955 1.00 0.00 C ATOM 817 CD GLU A 54 0.145 0.098 -8.363 1.00 0.00 C ATOM 818 OE1 GLU A 54 0.436 1.102 -9.048 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.263 -1.073 -8.783 1.00 0.00 O ATOM 0 H GLU A 54 -1.476 1.334 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.075 2.745 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.385 -0.234 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.233 0.690 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.166 1.136 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.174 -0.578 -6.358 1.00 0.00 H new ATOM 826 N LEU A 55 -4.472 2.826 -6.215 1.00 0.00 N ATOM 827 CA LEU A 55 -5.897 2.895 -5.905 1.00 0.00 C ATOM 828 C LEU A 55 -6.719 2.168 -6.968 1.00 0.00 C ATOM 829 O LEU A 55 -6.742 2.565 -8.132 1.00 0.00 O ATOM 830 CB LEU A 55 -6.346 4.354 -5.804 1.00 0.00 C ATOM 831 CG LEU A 55 -7.816 4.558 -5.433 1.00 0.00 C ATOM 832 CD1 LEU A 55 -8.047 4.230 -3.966 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.246 5.986 -5.735 1.00 0.00 C ATOM 0 H LEU A 55 -4.130 3.589 -6.800 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.062 2.404 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.727 4.858 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.158 4.843 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.421 3.880 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.098 4.381 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.776 3.191 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.432 4.883 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.294 6.115 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.635 6.680 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.117 6.188 -6.798 1.00 0.00 H new ATOM 845 N ILE A 56 -7.391 1.102 -6.553 1.00 0.00 N ATOM 846 CA ILE A 56 -8.218 0.307 -7.456 1.00 0.00 C ATOM 847 C ILE A 56 -9.696 0.616 -7.237 1.00 0.00 C ATOM 848 O ILE A 56 -10.098 0.989 -6.135 1.00 0.00 O ATOM 849 CB ILE A 56 -7.951 -1.207 -7.283 1.00 0.00 C ATOM 850 CG1 ILE A 56 -8.726 -2.025 -8.317 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.284 -1.670 -5.879 1.00 0.00 C ATOM 852 CD1 ILE A 56 -7.969 -3.240 -8.810 1.00 0.00 C ATOM 0 H ILE A 56 -7.380 0.765 -5.590 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.950 0.578 -8.477 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.886 -1.371 -7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.671 -2.347 -7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.968 -1.387 -9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.085 -2.738 -5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.670 -1.126 -5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.337 -1.479 -5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.576 -3.775 -9.541 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.036 -2.923 -9.276 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.750 -3.898 -7.969 1.00 0.00 H new ATOM 864 N GLN A 57 -10.503 0.477 -8.288 1.00 0.00 N ATOM 865 CA GLN A 57 -11.936 0.749 -8.194 1.00 0.00 C ATOM 866 C GLN A 57 -12.743 -0.454 -8.679 1.00 0.00 C ATOM 867 O GLN A 57 -12.401 -1.073 -9.687 1.00 0.00 O ATOM 868 CB GLN A 57 -12.296 1.989 -9.017 1.00 0.00 C ATOM 869 CG GLN A 57 -11.569 3.249 -8.573 1.00 0.00 C ATOM 870 CD GLN A 57 -11.198 4.149 -9.736 1.00 0.00 C ATOM 871 OE1 GLN A 57 -11.824 5.185 -9.957 1.00 0.00 O ATOM 872 NE2 GLN A 57 -10.174 3.757 -10.486 1.00 0.00 N ATOM 0 H GLN A 57 -10.190 0.179 -9.212 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.183 0.935 -7.149 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.066 1.798 -10.065 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.371 2.158 -8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.200 3.802 -7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.665 2.971 -8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.683 2.890 -10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.879 4.323 -11.282 1.00 0.00 H new ATOM 881 N CYS A 58 -13.803 -0.792 -7.951 1.00 0.00 N ATOM 882 CA CYS A 58 -14.642 -1.936 -8.303 1.00 0.00 C ATOM 883 C CYS A 58 -16.087 -1.718 -7.875 1.00 0.00 C ATOM 884 O CYS A 58 -16.389 -0.785 -7.135 1.00 0.00 O ATOM 885 CB CYS A 58 -14.092 -3.205 -7.664 1.00 0.00 C ATOM 886 SG CYS A 58 -13.047 -4.178 -8.762 1.00 0.00 S ATOM 0 H CYS A 58 -14.102 -0.291 -7.114 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.626 -2.043 -9.388 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.519 -2.935 -6.777 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.925 -3.823 -7.329 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.372 -3.382 -9.537 1.00 0.00 H new ATOM 892 N ARG A 59 -16.981 -2.583 -8.345 1.00 0.00 N ATOM 893 CA ARG A 59 -18.393 -2.480 -8.007 1.00 0.00 C ATOM 894 C ARG A 59 -18.663 -3.027 -6.607 1.00 0.00 C ATOM 895 O ARG A 59 -17.740 -3.258 -5.829 1.00 0.00 O ATOM 896 CB ARG A 59 -19.235 -3.239 -9.034 1.00 0.00 C ATOM 897 CG ARG A 59 -20.463 -2.473 -9.496 1.00 0.00 C ATOM 898 CD ARG A 59 -21.645 -3.399 -9.731 1.00 0.00 C ATOM 899 NE ARG A 59 -22.109 -3.353 -11.115 1.00 0.00 N ATOM 900 CZ ARG A 59 -23.172 -4.016 -11.564 1.00 0.00 C ATOM 901 NH1 ARG A 59 -23.884 -4.776 -10.741 1.00 0.00 N ATOM 902 NH2 ARG A 59 -23.527 -3.917 -12.837 1.00 0.00 N ATOM 0 H ARG A 59 -16.751 -3.363 -8.961 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.670 -1.426 -8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.615 -3.472 -9.900 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.550 -4.189 -8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.729 -1.726 -8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.233 -1.936 -10.416 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.361 -4.420 -9.477 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -22.462 -3.120 -9.065 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.587 -2.779 -11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -23.617 -4.854 -9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -24.698 -5.282 -11.090 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.985 -3.332 -13.474 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.342 -4.426 -13.180 1.00 0.00 H new ATOM 916 N VAL A 60 -19.940 -3.229 -6.297 1.00 0.00 N ATOM 917 CA VAL A 60 -20.340 -3.744 -4.992 1.00 0.00 C ATOM 918 C VAL A 60 -20.018 -5.230 -4.845 1.00 0.00 C ATOM 919 O VAL A 60 -19.904 -5.738 -3.729 1.00 0.00 O ATOM 920 CB VAL A 60 -21.846 -3.533 -4.743 1.00 0.00 C ATOM 921 CG1 VAL A 60 -22.203 -3.857 -3.297 1.00 0.00 C ATOM 922 CG2 VAL A 60 -22.255 -2.110 -5.096 1.00 0.00 C ATOM 0 H VAL A 60 -20.716 -3.044 -6.932 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.768 -3.183 -4.253 1.00 0.00 H new ATOM 0 HB VAL A 60 -22.398 -4.215 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -23.271 -3.702 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.953 -4.897 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.641 -3.205 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.322 -1.982 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -21.694 -1.407 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.042 -1.921 -6.148 1.00 0.00 H new ATOM 932 N ASN A 61 -19.873 -5.925 -5.972 1.00 0.00 N ATOM 933 CA ASN A 61 -19.566 -7.352 -5.952 1.00 0.00 C ATOM 934 C ASN A 61 -18.530 -7.705 -7.013 1.00 0.00 C ATOM 935 O ASN A 61 -18.865 -8.217 -8.082 1.00 0.00 O ATOM 936 CB ASN A 61 -20.838 -8.173 -6.169 1.00 0.00 C ATOM 937 CG ASN A 61 -21.935 -7.803 -5.191 1.00 0.00 C ATOM 938 OD1 ASN A 61 -22.543 -6.737 -5.297 1.00 0.00 O ATOM 939 ND2 ASN A 61 -22.194 -8.682 -4.231 1.00 0.00 N ATOM 0 H ASN A 61 -19.963 -5.524 -6.906 1.00 0.00 H new ATOM 0 HA ASN A 61 -19.150 -7.592 -4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.196 -8.022 -7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.606 -9.233 -6.067 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -22.922 -8.487 -3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -21.666 -9.553 -4.181 1.00 0.00 H new ATOM 946 N GLU A 62 -17.270 -7.424 -6.706 1.00 0.00 N ATOM 947 CA GLU A 62 -16.169 -7.703 -7.626 1.00 0.00 C ATOM 948 C GLU A 62 -14.821 -7.634 -6.907 1.00 0.00 C ATOM 949 O GLU A 62 -13.883 -8.353 -7.253 1.00 0.00 O ATOM 950 CB GLU A 62 -16.191 -6.711 -8.793 1.00 0.00 C ATOM 951 CG GLU A 62 -16.687 -7.316 -10.096 1.00 0.00 C ATOM 952 CD GLU A 62 -16.619 -6.340 -11.254 1.00 0.00 C ATOM 953 OE1 GLU A 62 -15.861 -5.353 -11.155 1.00 0.00 O ATOM 954 OE2 GLU A 62 -17.327 -6.563 -12.259 1.00 0.00 O ATOM 0 H GLU A 62 -16.982 -7.001 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.299 -8.714 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.827 -5.866 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.186 -6.318 -8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.091 -8.198 -10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.716 -7.652 -9.968 1.00 0.00 H new ATOM 961 N ILE A 63 -14.731 -6.760 -5.909 1.00 0.00 N ATOM 962 CA ILE A 63 -13.506 -6.589 -5.140 1.00 0.00 C ATOM 963 C ILE A 63 -13.073 -7.886 -4.468 1.00 0.00 C ATOM 964 O ILE A 63 -11.883 -8.190 -4.388 1.00 0.00 O ATOM 965 CB ILE A 63 -13.685 -5.495 -4.074 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.913 -5.776 -3.206 1.00 0.00 C ATOM 967 CG2 ILE A 63 -13.818 -4.150 -4.755 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.129 -4.751 -2.113 1.00 0.00 C ATOM 0 H ILE A 63 -15.498 -6.156 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.727 -6.291 -5.842 1.00 0.00 H new ATOM 0 HB ILE A 63 -12.810 -5.488 -3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.798 -5.809 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.810 -6.762 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -13.945 -3.372 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.920 -3.947 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.685 -4.161 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.017 -5.014 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.261 -4.734 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.265 -3.766 -2.560 1.00 0.00 H new ATOM 980 N GLU A 64 -14.047 -8.650 -3.987 1.00 0.00 N ATOM 981 CA GLU A 64 -13.775 -9.920 -3.323 1.00 0.00 C ATOM 982 C GLU A 64 -12.965 -10.847 -4.226 1.00 0.00 C ATOM 983 O GLU A 64 -12.049 -11.531 -3.770 1.00 0.00 O ATOM 984 CB GLU A 64 -15.088 -10.601 -2.934 1.00 0.00 C ATOM 985 CG GLU A 64 -15.955 -10.960 -4.130 1.00 0.00 C ATOM 986 CD GLU A 64 -17.307 -11.515 -3.731 1.00 0.00 C ATOM 987 OE1 GLU A 64 -17.368 -12.281 -2.746 1.00 0.00 O ATOM 988 OE2 GLU A 64 -18.307 -11.185 -4.405 1.00 0.00 O ATOM 0 H GLU A 64 -15.037 -8.411 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.192 -9.714 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.866 -11.507 -2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.649 -9.942 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.099 -10.073 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.433 -11.694 -4.744 1.00 0.00 H new ATOM 995 N THR A 65 -13.318 -10.866 -5.510 1.00 0.00 N ATOM 996 CA THR A 65 -12.634 -11.708 -6.486 1.00 0.00 C ATOM 997 C THR A 65 -11.314 -11.084 -6.922 1.00 0.00 C ATOM 998 O THR A 65 -10.314 -11.780 -7.094 1.00 0.00 O ATOM 999 CB THR A 65 -13.525 -11.943 -7.710 1.00 0.00 C ATOM 1000 OG1 THR A 65 -14.518 -10.936 -7.813 1.00 0.00 O ATOM 1001 CG2 THR A 65 -14.231 -13.279 -7.683 1.00 0.00 C ATOM 0 H THR A 65 -14.077 -10.305 -5.898 1.00 0.00 H new ATOM 0 HA THR A 65 -12.423 -12.665 -6.008 1.00 0.00 H new ATOM 0 HB THR A 65 -12.851 -11.919 -8.566 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.099 -10.054 -7.735 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.846 -13.384 -8.577 1.00 0.00 H new ATOM 0 HG22 THR A 65 -13.493 -14.080 -7.654 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.865 -13.338 -6.798 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.314 -9.767 -7.102 1.00 0.00 N ATOM 1010 CA TYR A 66 -10.115 -9.048 -7.519 1.00 0.00 C ATOM 1011 C TYR A 66 -9.153 -8.828 -6.351 1.00 0.00 C ATOM 1012 O TYR A 66 -8.215 -8.039 -6.461 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.488 -7.699 -8.138 1.00 0.00 C ATOM 1014 CG TYR A 66 -10.763 -7.756 -9.625 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -9.986 -8.536 -10.473 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -11.797 -7.017 -10.182 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -10.236 -8.578 -11.833 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -12.052 -7.053 -11.538 1.00 0.00 C ATOM 1019 CZ TYR A 66 -11.270 -7.834 -12.360 1.00 0.00 C ATOM 1020 OH TYR A 66 -11.525 -7.871 -13.713 1.00 0.00 O ATOM 0 H TYR A 66 -12.133 -9.175 -6.965 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.611 -9.663 -8.264 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.371 -7.310 -7.631 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.679 -6.992 -7.956 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.174 -9.119 -10.064 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.414 -6.402 -9.543 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.624 -9.191 -12.479 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.862 -6.471 -11.953 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.288 -7.291 -13.918 1.00 0.00 H new ATOM 1030 N MET A 67 -9.386 -9.523 -5.239 1.00 0.00 N ATOM 1031 CA MET A 67 -8.535 -9.405 -4.056 1.00 0.00 C ATOM 1032 C MET A 67 -7.133 -9.983 -4.311 1.00 0.00 C ATOM 1033 O MET A 67 -6.609 -10.744 -3.496 1.00 0.00 O ATOM 1034 CB MET A 67 -9.195 -10.129 -2.876 1.00 0.00 C ATOM 1035 CG MET A 67 -9.530 -9.224 -1.703 1.00 0.00 C ATOM 1036 SD MET A 67 -8.214 -9.183 -0.470 1.00 0.00 S ATOM 1037 CE MET A 67 -8.955 -8.154 0.796 1.00 0.00 C ATOM 0 H MET A 67 -10.161 -10.177 -5.132 1.00 0.00 H new ATOM 0 HA MET A 67 -8.420 -8.347 -3.822 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.110 -10.609 -3.224 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.530 -10.921 -2.532 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.714 -8.214 -2.068 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.453 -9.567 -1.235 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.177 -7.581 1.300 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.669 -7.471 0.337 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.470 -8.784 1.522 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.533 -9.620 -5.445 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.203 -10.103 -5.802 1.00 0.00 C ATOM 1049 C ASP A 68 -4.184 -9.747 -4.725 1.00 0.00 C ATOM 1050 O ASP A 68 -3.363 -10.577 -4.337 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.775 -9.508 -7.145 1.00 0.00 C ATOM 1052 CG ASP A 68 -3.605 -10.251 -7.760 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -3.497 -11.475 -7.539 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -2.797 -9.608 -8.464 1.00 0.00 O ATOM 0 H ASP A 68 -6.950 -8.992 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.245 -11.189 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.619 -9.530 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.505 -8.461 -7.006 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.244 -8.509 -4.248 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.321 -8.069 -3.220 1.00 0.00 C ATOM 1061 C GLY A 69 -3.643 -6.679 -2.704 1.00 0.00 C ATOM 1062 O GLY A 69 -2.820 -5.771 -2.805 1.00 0.00 O ATOM 0 H GLY A 69 -4.914 -7.804 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.344 -8.775 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.307 -8.079 -3.619 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.839 -6.515 -2.146 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.258 -5.226 -1.612 1.00 0.00 C ATOM 1068 C VAL A 70 -4.833 -5.078 -0.154 1.00 0.00 C ATOM 1069 O VAL A 70 -5.071 -5.962 0.668 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.785 -5.033 -1.711 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.220 -4.924 -3.164 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.517 -6.169 -1.013 1.00 0.00 C ATOM 0 H VAL A 70 -5.532 -7.257 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.769 -4.462 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.044 -4.102 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.300 -4.788 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.726 -4.070 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.945 -5.835 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.593 -6.013 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.251 -7.116 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.233 -6.193 0.039 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.198 -3.954 0.160 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.737 -3.691 1.516 1.00 0.00 C ATOM 1084 C HIS A 71 -4.797 -2.946 2.326 1.00 0.00 C ATOM 1085 O HIS A 71 -4.769 -2.964 3.557 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.441 -2.880 1.486 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.568 -3.103 2.680 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -1.364 -2.150 3.655 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -0.842 -4.181 3.057 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -0.550 -2.629 4.577 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -0.218 -3.861 4.238 1.00 0.00 N ATOM 0 H HIS A 71 -3.991 -3.211 -0.507 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.550 -4.651 1.998 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.883 -3.136 0.585 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.687 -1.820 1.419 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.767 -5.119 2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.213 -2.103 5.458 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.401 -4.475 4.767 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.737 -2.308 1.632 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.813 -1.567 2.290 1.00 0.00 C ATOM 1102 C LEU A 72 -8.076 -1.594 1.433 1.00 0.00 C ATOM 1103 O LEU A 72 -8.001 -1.609 0.205 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.403 -0.114 2.538 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.225 0.092 3.502 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.033 0.715 2.783 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -5.649 0.958 4.681 1.00 0.00 C ATOM 0 H LEU A 72 -5.776 -2.289 0.613 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.012 -2.047 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.148 0.341 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.266 0.426 2.928 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.920 -0.884 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.213 0.850 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.712 0.058 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.321 1.682 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.803 1.095 5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.984 1.929 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.464 0.471 5.216 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.236 -1.626 2.078 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.497 -1.679 1.356 1.00 0.00 C ATOM 1121 C ILE A 73 -11.405 -0.509 1.719 1.00 0.00 C ATOM 1122 O ILE A 73 -11.568 -0.177 2.891 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.227 -2.995 1.665 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.308 -3.927 2.446 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -11.713 -3.673 0.394 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.160 -4.483 1.629 1.00 0.00 C ATOM 0 H ILE A 73 -9.328 -1.616 3.094 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.266 -1.619 0.292 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.103 -2.763 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.904 -3.388 3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.896 -4.756 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.225 -4.601 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.402 -3.011 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.861 -3.894 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.552 -5.137 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -9.555 -5.051 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.547 -3.662 1.258 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.004 0.113 0.712 1.00 0.00 N ATOM 1139 CA CYS A 74 -12.901 1.235 0.954 1.00 0.00 C ATOM 1140 C CYS A 74 -14.260 0.988 0.314 1.00 0.00 C ATOM 1141 O CYS A 74 -14.418 1.107 -0.901 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.292 2.531 0.419 1.00 0.00 C ATOM 1143 SG CYS A 74 -10.666 2.915 1.106 1.00 0.00 S ATOM 0 H CYS A 74 -11.887 -0.137 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.041 1.332 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.210 2.461 -0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.971 3.356 0.635 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.230 4.027 0.593 1.00 0.00 H new ATOM 1149 N THR A 75 -15.241 0.647 1.143 1.00 0.00 N ATOM 1150 CA THR A 75 -16.593 0.384 0.666 1.00 0.00 C ATOM 1151 C THR A 75 -17.617 0.917 1.661 1.00 0.00 C ATOM 1152 O THR A 75 -17.347 1.005 2.859 1.00 0.00 O ATOM 1153 CB THR A 75 -16.813 -1.119 0.456 1.00 0.00 C ATOM 1154 OG1 THR A 75 -15.907 -1.647 -0.501 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.212 -1.460 -0.012 1.00 0.00 C ATOM 0 H THR A 75 -15.124 0.546 2.151 1.00 0.00 H new ATOM 0 HA THR A 75 -16.720 0.894 -0.289 1.00 0.00 H new ATOM 0 HB THR A 75 -16.648 -1.563 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.071 -2.607 -0.612 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.300 -2.539 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.936 -1.123 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.409 -0.964 -0.962 1.00 0.00 H new ATOM 1163 N THR A 76 -18.790 1.275 1.158 1.00 0.00 N ATOM 1164 CA THR A 76 -19.853 1.802 2.004 1.00 0.00 C ATOM 1165 C THR A 76 -20.761 0.681 2.504 1.00 0.00 C ATOM 1166 O THR A 76 -21.882 0.514 2.022 1.00 0.00 O ATOM 1167 CB THR A 76 -20.668 2.844 1.239 1.00 0.00 C ATOM 1168 OG1 THR A 76 -19.951 3.310 0.109 1.00 0.00 O ATOM 1169 CG2 THR A 76 -21.029 4.049 2.077 1.00 0.00 C ATOM 0 H THR A 76 -19.030 1.210 0.169 1.00 0.00 H new ATOM 0 HA THR A 76 -19.395 2.278 2.871 1.00 0.00 H new ATOM 0 HB THR A 76 -21.585 2.335 0.944 1.00 0.00 H new ATOM 0 HG1 THR A 76 -20.490 3.975 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 76 -21.607 4.751 1.475 1.00 0.00 H new ATOM 0 HG22 THR A 76 -21.623 3.731 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.118 4.535 2.426 1.00 0.00 H new ATOM 1294 N GLY A 84 -13.872 -11.886 6.715 1.00 0.00 N ATOM 1295 CA GLY A 84 -12.975 -12.443 7.716 1.00 0.00 C ATOM 1296 C GLY A 84 -12.216 -11.373 8.478 1.00 0.00 C ATOM 1297 O GLY A 84 -12.457 -11.157 9.666 1.00 0.00 O ATOM 0 HA2 GLY A 84 -13.550 -13.046 8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.264 -13.111 7.230 1.00 0.00 H new ATOM 1301 N ASP A 85 -11.303 -10.699 7.790 1.00 0.00 N ATOM 1302 CA ASP A 85 -10.507 -9.637 8.397 1.00 0.00 C ATOM 1303 C ASP A 85 -10.249 -8.526 7.391 1.00 0.00 C ATOM 1304 O ASP A 85 -9.342 -7.713 7.567 1.00 0.00 O ATOM 1305 CB ASP A 85 -9.174 -10.190 8.906 1.00 0.00 C ATOM 1306 CG ASP A 85 -8.586 -9.349 10.022 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -8.547 -8.109 9.876 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -8.161 -9.932 11.041 1.00 0.00 O ATOM 0 H ASP A 85 -11.094 -10.869 6.806 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.067 -9.231 9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.319 -11.210 9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.465 -10.239 8.080 1.00 0.00 H new ATOM 1313 N ILE A 86 -11.050 -8.499 6.331 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.909 -7.496 5.290 1.00 0.00 C ATOM 1315 C ILE A 86 -10.855 -6.081 5.887 1.00 0.00 C ATOM 1316 O ILE A 86 -11.872 -5.536 6.315 1.00 0.00 O ATOM 1317 CB ILE A 86 -12.069 -7.601 4.278 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.921 -6.554 3.183 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -13.398 -7.435 4.984 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -11.892 -7.122 1.782 1.00 0.00 C ATOM 0 H ILE A 86 -11.806 -9.165 6.173 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.969 -7.683 4.771 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.036 -8.589 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.746 -5.846 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.003 -5.993 3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.208 -7.511 4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.510 -8.216 5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.434 -6.458 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.784 -6.310 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.050 -7.807 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.821 -7.658 1.588 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.655 -5.474 5.933 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.465 -4.124 6.491 1.00 0.00 C ATOM 1334 C PRO A 87 -10.172 -3.039 5.680 1.00 0.00 C ATOM 1335 O PRO A 87 -9.522 -2.197 5.060 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.944 -3.926 6.428 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.486 -4.857 5.358 1.00 0.00 C ATOM 1338 CD PRO A 87 -8.385 -6.054 5.458 1.00 0.00 C ATOM 0 HA PRO A 87 -9.886 -4.042 7.493 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.688 -2.893 6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.474 -4.159 7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.559 -4.392 4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.442 -5.137 5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.503 -6.552 4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.994 -6.796 6.155 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.504 -3.062 5.675 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.266 -2.074 4.914 1.00 0.00 C ATOM 1348 C LEU A 88 -12.756 -0.930 5.797 1.00 0.00 C ATOM 1349 O LEU A 88 -12.806 -1.047 7.021 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.449 -2.729 4.191 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.684 -3.019 5.051 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.943 -2.494 4.379 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.812 -4.508 5.312 1.00 0.00 C ATOM 0 H LEU A 88 -12.071 -3.743 6.181 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.589 -1.655 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.749 -2.082 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.107 -3.667 3.753 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.562 -2.506 6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.808 -2.710 5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.858 -1.417 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.067 -2.978 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.694 -4.696 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.909 -5.037 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.925 -4.863 5.836 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.115 0.181 5.156 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.600 1.357 5.866 1.00 0.00 C ATOM 1367 C VAL A 89 -14.788 1.984 5.145 1.00 0.00 C ATOM 1368 O VAL A 89 -14.906 1.894 3.923 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.495 2.417 6.025 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -11.457 1.954 7.035 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.845 2.722 4.684 1.00 0.00 C ATOM 0 H VAL A 89 -13.078 0.289 4.142 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.913 1.020 6.854 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.949 3.335 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.683 2.715 7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.936 1.793 8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.007 1.022 6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.067 3.473 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.404 1.812 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.598 3.100 3.992 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.667 2.617 5.912 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.851 3.259 5.355 1.00 0.00 C ATOM 1383 C HIS A 90 -16.531 4.674 4.883 1.00 0.00 C ATOM 1384 O HIS A 90 -15.691 5.358 5.465 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.972 3.299 6.396 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.041 2.071 7.251 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -17.327 1.927 8.421 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.744 0.923 7.100 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -17.583 0.745 8.952 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -18.442 0.117 8.170 1.00 0.00 N ATOM 0 H HIS A 90 -15.582 2.700 6.925 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.181 2.674 4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.831 4.170 7.036 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.926 3.430 5.885 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -19.417 0.686 6.289 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -17.162 0.358 9.868 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -18.820 -0.816 8.334 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.210 5.105 3.826 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.986 6.436 3.295 1.00 0.00 C ATOM 1401 C GLY A 91 -18.155 7.364 3.558 1.00 0.00 C ATOM 1402 O GLY A 91 -18.410 8.286 2.782 1.00 0.00 O ATOM 0 H GLY A 91 -17.911 4.557 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.084 6.856 3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.810 6.372 2.221 1.00 0.00 H new ATOM 1406 N MET A 92 -18.868 7.122 4.653 1.00 0.00 N ATOM 1407 CA MET A 92 -20.016 7.945 5.013 1.00 0.00 C ATOM 1408 C MET A 92 -19.622 9.420 5.115 1.00 0.00 C ATOM 1409 O MET A 92 -20.268 10.280 4.517 1.00 0.00 O ATOM 1410 CB MET A 92 -20.629 7.465 6.333 1.00 0.00 C ATOM 1411 CG MET A 92 -22.003 8.052 6.615 1.00 0.00 C ATOM 1412 SD MET A 92 -23.339 6.879 6.308 1.00 0.00 S ATOM 1413 CE MET A 92 -23.848 7.366 4.662 1.00 0.00 C ATOM 0 H MET A 92 -18.671 6.363 5.306 1.00 0.00 H new ATOM 0 HA MET A 92 -20.762 7.845 4.225 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.704 6.378 6.315 1.00 0.00 H new ATOM 0 HB3 MET A 92 -19.957 7.724 7.151 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.046 8.382 7.653 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.151 8.935 5.993 1.00 0.00 H new ATOM 0 HE1 MET A 92 -24.670 6.730 4.332 1.00 0.00 H new ATOM 0 HE2 MET A 92 -24.176 8.405 4.675 1.00 0.00 H new ATOM 0 HE3 MET A 92 -23.009 7.259 3.975 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.557 9.739 5.876 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.097 11.122 6.041 1.00 0.00 C ATOM 1425 C PRO A 93 -17.324 11.643 4.827 1.00 0.00 C ATOM 1426 O PRO A 93 -17.119 12.849 4.689 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.179 11.036 7.257 1.00 0.00 C ATOM 1428 CG PRO A 93 -16.627 9.655 7.206 1.00 0.00 C ATOM 1429 CD PRO A 93 -17.721 8.788 6.641 1.00 0.00 C ATOM 0 HA PRO A 93 -18.931 11.815 6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.386 11.783 7.210 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -17.728 11.211 8.182 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.735 9.615 6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.335 9.315 8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.320 8.002 6.001 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.291 8.297 7.430 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.893 10.736 3.953 1.00 0.00 N ATOM 1438 CA PHE A 94 -16.143 11.129 2.761 1.00 0.00 C ATOM 1439 C PHE A 94 -17.091 11.618 1.667 1.00 0.00 C ATOM 1440 O PHE A 94 -16.781 12.561 0.940 1.00 0.00 O ATOM 1441 CB PHE A 94 -15.310 9.946 2.251 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.819 10.172 2.274 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.230 11.003 3.218 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -13.004 9.538 1.348 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.860 11.195 3.233 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.635 9.728 1.360 1.00 0.00 C ATOM 1447 CZ PHE A 94 -11.063 10.557 2.304 1.00 0.00 C ATOM 0 H PHE A 94 -17.048 9.732 4.046 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.472 11.947 3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.541 9.069 2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.614 9.718 1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.848 11.505 3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.445 8.887 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.414 11.844 3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.013 9.228 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.993 10.706 2.316 1.00 0.00 H new ATOM 1457 N VAL A 95 -18.247 10.970 1.559 1.00 0.00 N ATOM 1458 CA VAL A 95 -19.243 11.341 0.556 1.00 0.00 C ATOM 1459 C VAL A 95 -20.012 12.594 0.980 1.00 0.00 C ATOM 1460 O VAL A 95 -20.592 13.291 0.148 1.00 0.00 O ATOM 1461 CB VAL A 95 -20.237 10.187 0.294 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.991 9.823 1.565 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -21.210 10.543 -0.825 1.00 0.00 C ATOM 0 H VAL A 95 -18.518 10.186 2.152 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.703 11.552 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.662 9.317 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.685 9.009 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -20.282 9.508 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.547 10.691 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -21.897 9.713 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -21.775 11.433 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -20.654 10.739 -1.742 1.00 0.00 H new ATOM 1473 N SER A 96 -20.015 12.873 2.282 1.00 0.00 N ATOM 1474 CA SER A 96 -20.718 14.036 2.819 1.00 0.00 C ATOM 1475 C SER A 96 -20.296 15.327 2.114 1.00 0.00 C ATOM 1476 O SER A 96 -21.058 16.294 2.066 1.00 0.00 O ATOM 1477 CB SER A 96 -20.471 14.148 4.325 1.00 0.00 C ATOM 1478 OG SER A 96 -19.327 14.935 4.606 1.00 0.00 O ATOM 0 H SER A 96 -19.538 12.309 2.985 1.00 0.00 H new ATOM 0 HA SER A 96 -21.784 13.896 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 96 -21.344 14.588 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.342 13.152 4.749 1.00 0.00 H new ATOM 0 HG SER A 96 -18.543 14.354 4.690 1.00 0.00 H new ATOM 1484 N GLY A 97 -19.084 15.338 1.564 1.00 0.00 N ATOM 1485 CA GLY A 97 -18.598 16.515 0.865 1.00 0.00 C ATOM 1486 C GLY A 97 -18.194 17.641 1.800 1.00 0.00 C ATOM 1487 O GLY A 97 -17.810 18.720 1.347 1.00 0.00 O ATOM 0 H GLY A 97 -18.431 14.554 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -17.742 16.237 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -19.373 16.874 0.188 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.295 17.405 3.106 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.946 18.421 4.092 1.00 0.00 C ATOM 1493 C VAL A 98 -17.059 17.855 5.204 1.00 0.00 C ATOM 1494 O VAL A 98 -16.333 18.597 5.862 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.211 19.032 4.723 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -20.034 17.955 5.416 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -18.844 20.145 5.695 1.00 0.00 C ATOM 0 H VAL A 98 -18.615 16.522 3.504 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.390 19.194 3.561 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.818 19.466 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.924 18.404 5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -20.331 17.199 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.437 17.489 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.752 20.563 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -18.214 19.742 6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -18.302 20.928 5.164 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.126 16.542 5.413 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.325 15.918 6.449 1.00 0.00 C ATOM 1509 C GLY A 99 -15.041 15.316 5.917 1.00 0.00 C ATOM 1510 O GLY A 99 -14.351 14.592 6.632 1.00 0.00 O ATOM 0 H GLY A 99 -17.719 15.902 4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.085 16.659 7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.912 15.139 6.935 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.712 15.616 4.664 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.495 15.096 4.055 1.00 0.00 C ATOM 1516 C ILE A 100 -12.268 15.752 4.669 1.00 0.00 C ATOM 1517 O ILE A 100 -11.316 15.078 5.051 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.462 15.337 2.534 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.819 15.042 1.897 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -12.374 14.495 1.890 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -15.271 16.127 0.947 1.00 0.00 C ATOM 0 H ILE A 100 -15.269 16.214 4.054 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.487 14.022 4.243 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.237 16.390 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.764 14.095 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.565 14.920 2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.362 14.676 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.407 14.765 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.571 13.440 2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.241 15.861 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.356 17.071 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.543 16.233 0.143 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.303 17.077 4.754 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.199 17.850 5.316 1.00 0.00 C ATOM 1535 C GLU A 101 -10.802 17.323 6.693 1.00 0.00 C ATOM 1536 O GLU A 101 -9.651 16.955 6.920 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.581 19.330 5.419 1.00 0.00 C ATOM 1538 CG GLU A 101 -12.090 19.932 4.116 1.00 0.00 C ATOM 1539 CD GLU A 101 -13.590 19.777 3.946 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -14.342 20.327 4.778 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -14.010 19.105 2.981 1.00 0.00 O ATOM 0 H GLU A 101 -13.091 17.643 4.438 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.345 17.745 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.349 19.444 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.712 19.896 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.832 20.991 4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.582 19.455 3.278 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.766 17.294 7.608 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.520 16.818 8.962 1.00 0.00 C ATOM 1550 C ALA A 102 -11.078 15.358 8.961 1.00 0.00 C ATOM 1551 O ALA A 102 -10.107 14.993 9.623 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.767 16.994 9.816 1.00 0.00 C ATOM 0 H ALA A 102 -12.725 17.595 7.435 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.712 17.413 9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.570 16.634 10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.037 18.049 9.853 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.589 16.424 9.382 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.794 14.526 8.209 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.467 13.108 8.122 1.00 0.00 C ATOM 1560 C LEU A 103 -10.082 12.910 7.518 1.00 0.00 C ATOM 1561 O LEU A 103 -9.319 12.050 7.957 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.509 12.371 7.278 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.668 10.885 7.596 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.584 10.695 8.794 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.209 10.138 6.386 1.00 0.00 C ATOM 0 H LEU A 103 -12.601 14.809 7.653 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.471 12.698 9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.474 12.860 7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.242 12.475 6.226 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.688 10.476 7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.687 9.631 9.008 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.158 11.200 9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.564 11.117 8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.316 9.081 6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.181 10.547 6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.518 10.250 5.551 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.766 13.716 6.509 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.474 13.637 5.838 1.00 0.00 C ATOM 1579 C GLN A 104 -7.336 13.860 6.820 1.00 0.00 C ATOM 1580 O GLN A 104 -6.453 13.015 6.971 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.388 14.673 4.718 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.505 14.242 3.563 1.00 0.00 C ATOM 1583 CD GLN A 104 -8.306 13.794 2.360 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -9.526 13.940 2.321 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -7.622 13.239 1.372 1.00 0.00 N ATOM 0 H GLN A 104 -10.389 14.433 6.138 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.382 12.637 5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.391 14.875 4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.007 15.608 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.857 15.070 3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.857 13.428 3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.610 13.138 1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.107 12.913 0.536 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.368 15.002 7.493 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.343 15.342 8.467 1.00 0.00 C ATOM 1596 C ASN A 105 -6.198 14.241 9.506 1.00 0.00 C ATOM 1597 O ASN A 105 -5.086 13.861 9.873 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.678 16.669 9.147 1.00 0.00 C ATOM 1599 CG ASN A 105 -6.433 17.858 8.239 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -7.368 18.418 7.666 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -5.171 18.248 8.101 1.00 0.00 N ATOM 0 H ASN A 105 -8.095 15.709 7.381 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.393 15.445 7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.722 16.662 9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.077 16.774 10.050 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.945 19.041 7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.428 17.754 8.595 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.327 13.725 9.980 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.317 12.668 10.976 1.00 0.00 C ATOM 1610 C LYS A 106 -6.796 11.366 10.383 1.00 0.00 C ATOM 1611 O LYS A 106 -6.004 10.672 11.009 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.721 12.461 11.551 1.00 0.00 C ATOM 1613 CG LYS A 106 -8.728 11.782 12.913 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.776 12.385 13.836 1.00 0.00 C ATOM 1615 CE LYS A 106 -9.402 12.203 15.301 1.00 0.00 C ATOM 1616 NZ LYS A 106 -10.286 11.218 15.984 1.00 0.00 N ATOM 0 H LYS A 106 -8.258 14.023 9.689 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.648 12.970 11.781 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.217 13.428 11.634 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.306 11.862 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.923 10.717 12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.743 11.874 13.371 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.887 13.447 13.617 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.742 11.918 13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.366 11.871 15.372 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.465 13.163 15.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.997 11.124 16.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.272 11.547 15.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.207 10.295 15.512 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.245 11.029 9.178 1.00 0.00 N ATOM 1631 CA ILE A 107 -6.808 9.793 8.543 1.00 0.00 C ATOM 1632 C ILE A 107 -5.330 9.845 8.162 1.00 0.00 C ATOM 1633 O ILE A 107 -4.634 8.834 8.235 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.671 9.434 7.309 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.445 7.974 6.916 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.391 10.356 6.129 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -7.695 7.004 8.048 1.00 0.00 C ATOM 0 H ILE A 107 -7.901 11.585 8.630 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.942 9.004 9.283 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.716 9.573 7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.100 7.724 6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -6.420 7.854 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.018 10.068 5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.612 11.385 6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.342 10.275 5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.517 5.986 7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.022 7.229 8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.727 7.097 8.385 1.00 0.00 H new ATOM 1649 N LEU A 108 -4.850 11.020 7.765 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.450 11.177 7.382 1.00 0.00 C ATOM 1651 C LEU A 108 -2.539 11.095 8.602 1.00 0.00 C ATOM 1652 O LEU A 108 -1.481 10.469 8.557 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.238 12.513 6.664 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.593 12.511 5.172 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -4.357 13.773 4.800 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.336 12.376 4.320 1.00 0.00 C ATOM 0 H LEU A 108 -5.406 11.873 7.700 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.195 10.364 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.836 13.275 7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.194 12.805 6.773 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.234 11.652 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.599 13.752 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.278 13.826 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.742 14.647 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.610 12.377 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.668 13.213 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.830 11.441 4.563 1.00 0.00 H new ATOM 1668 N THR A 109 -2.957 11.735 9.689 1.00 0.00 N ATOM 1669 CA THR A 109 -2.179 11.739 10.922 1.00 0.00 C ATOM 1670 C THR A 109 -2.027 10.327 11.486 1.00 0.00 C ATOM 1671 O THR A 109 -0.982 9.982 12.038 1.00 0.00 O ATOM 1672 CB THR A 109 -2.835 12.650 11.963 1.00 0.00 C ATOM 1673 OG1 THR A 109 -3.022 13.955 11.442 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.031 12.781 13.239 1.00 0.00 C ATOM 0 H THR A 109 -3.831 12.258 9.741 1.00 0.00 H new ATOM 0 HA THR A 109 -1.185 12.121 10.688 1.00 0.00 H new ATOM 0 HB THR A 109 -3.788 12.176 12.199 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.961 14.074 11.186 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.554 13.440 13.932 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.909 11.798 13.695 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.051 13.199 13.010 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.071 9.513 11.349 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.029 8.145 11.856 1.00 0.00 C ATOM 1684 C ILE A 110 -2.418 7.187 10.834 1.00 0.00 C ATOM 1685 O ILE A 110 -1.629 6.313 11.194 1.00 0.00 O ATOM 1686 CB ILE A 110 -4.429 7.627 12.261 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.218 8.711 12.997 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -4.302 6.389 13.140 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -6.608 8.272 13.408 1.00 0.00 C ATOM 0 H ILE A 110 -3.947 9.773 10.896 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.399 8.174 12.745 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.969 7.363 11.352 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -4.663 9.013 13.885 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -5.297 9.590 12.357 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.295 6.036 13.417 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.778 5.606 12.592 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.741 6.638 14.041 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.110 9.090 13.925 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.180 7.997 12.522 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.536 7.412 14.074 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.778 7.350 9.560 1.00 0.00 N ATOM 1702 CA LEU A 111 -2.245 6.485 8.506 1.00 0.00 C ATOM 1703 C LEU A 111 -0.722 6.554 8.473 1.00 0.00 C ATOM 1704 O LEU A 111 -0.051 5.560 8.196 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.803 6.878 7.131 1.00 0.00 C ATOM 1706 CG LEU A 111 -4.007 6.064 6.636 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -4.328 6.427 5.194 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -3.750 4.567 6.754 1.00 0.00 C ATOM 0 H LEU A 111 -3.429 8.065 9.235 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.555 5.465 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.089 7.929 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.002 6.788 6.397 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.861 6.310 7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.183 5.844 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.565 7.489 5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.466 6.209 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.621 4.019 6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.880 4.299 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.564 4.311 7.797 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.184 7.736 8.757 1.00 0.00 N ATOM 1721 CA GLN A 112 1.259 7.935 8.758 1.00 0.00 C ATOM 1722 C GLN A 112 1.873 7.436 10.062 1.00 0.00 C ATOM 1723 O GLN A 112 3.010 6.964 10.082 1.00 0.00 O ATOM 1724 CB GLN A 112 1.598 9.414 8.551 1.00 0.00 C ATOM 1725 CG GLN A 112 1.081 10.324 9.656 1.00 0.00 C ATOM 1726 CD GLN A 112 2.162 10.711 10.647 1.00 0.00 C ATOM 1727 OE1 GLN A 112 2.913 9.861 11.127 1.00 0.00 O ATOM 1728 NE2 GLN A 112 2.249 12.000 10.958 1.00 0.00 N ATOM 0 H GLN A 112 -0.726 8.569 8.989 1.00 0.00 H new ATOM 0 HA GLN A 112 1.679 7.359 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 112 2.680 9.522 8.481 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.182 9.742 7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.661 11.226 9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.271 9.822 10.185 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.606 12.671 10.537 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.958 12.319 11.618 1.00 0.00 H new ATOM 1737 N GLY A 113 1.112 7.542 11.145 1.00 0.00 N ATOM 1738 CA GLY A 113 1.597 7.095 12.438 1.00 0.00 C ATOM 1739 C GLY A 113 1.474 8.166 13.504 1.00 0.00 C ATOM 1740 O GLY A 113 2.522 8.625 14.007 1.00 0.00 O ATOM 1741 OXT GLY A 113 0.332 8.543 13.838 1.00 0.00 O ATOM 0 H GLY A 113 0.168 7.929 11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.037 6.212 12.747 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.641 6.795 12.347 1.00 0.00 H new