USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=16 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 28 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 34 THR OG1 : rot -40:sc= 0.00697 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -165:sc= -0.494 (180deg=-0.859) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 72:sc= -1.27! USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -1 K(o=-1,f=-0.28) USER MOD Single : A 50 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.72) USER MOD Single : A 57 GLN : amide:sc= -0.822 K(o=-0.82,f=-2.5!) USER MOD Single : A 58 CYS SG : rot 29:sc= -0.456 USER MOD Single : A 61 ASN : amide:sc= 0.455 K(o=0.45,f=-0.14) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -149:sc= -0.218 (180deg=-0.972) USER MOD Single : A 71 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-1.5) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -160:sc=-0.00507 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0541 USER MOD Single : A 90 HIS : no HD1:sc= -0.0515 X(o=-0.052,f=-0.052) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0593 X(o=-0.059,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.0313 K(o=-0.031,f=-1.4) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -51:sc= -0.283 USER MOD Single : A 112 GLN : amide:sc= -0.756 X(o=-0.76,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.749 -1.503 -3.309 1.00 0.00 N ATOM 318 CA LYS A 21 3.681 -1.477 -1.851 1.00 0.00 C ATOM 319 C LYS A 21 2.293 -1.874 -1.362 1.00 0.00 C ATOM 320 O LYS A 21 2.096 -2.979 -0.856 1.00 0.00 O ATOM 321 CB LYS A 21 4.035 -0.089 -1.308 1.00 0.00 C ATOM 322 CG LYS A 21 5.239 0.555 -1.973 1.00 0.00 C ATOM 323 CD LYS A 21 6.398 0.724 -1.001 1.00 0.00 C ATOM 324 CE LYS A 21 7.677 0.101 -1.540 1.00 0.00 C ATOM 325 NZ LYS A 21 8.778 1.098 -1.650 1.00 0.00 N ATOM 0 HA LYS A 21 4.408 -2.199 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.173 0.567 -1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.225 -0.168 -0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.558 -0.056 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.956 1.528 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.562 1.785 -0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.143 0.264 -0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.988 -0.713 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.483 -0.335 -2.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.631 0.633 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.492 1.862 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.981 1.496 -0.711 1.00 0.00 H new ATOM 339 N ARG A 22 1.333 -0.966 -1.507 1.00 0.00 N ATOM 340 CA ARG A 22 -0.031 -1.228 -1.064 1.00 0.00 C ATOM 341 C ARG A 22 -1.031 -0.962 -2.184 1.00 0.00 C ATOM 342 O ARG A 22 -0.784 -0.143 -3.071 1.00 0.00 O ATOM 343 CB ARG A 22 -0.365 -0.359 0.151 1.00 0.00 C ATOM 344 CG ARG A 22 0.760 -0.281 1.172 1.00 0.00 C ATOM 345 CD ARG A 22 1.669 0.912 0.912 1.00 0.00 C ATOM 346 NE ARG A 22 1.427 2.001 1.857 1.00 0.00 N ATOM 347 CZ ARG A 22 2.378 2.590 2.580 1.00 0.00 C ATOM 348 NH1 ARG A 22 3.650 2.228 2.451 1.00 0.00 N ATOM 349 NH2 ARG A 22 2.056 3.554 3.432 1.00 0.00 N ATOM 0 H ARG A 22 1.474 -0.047 -1.926 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.101 -2.279 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.607 0.648 -0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.258 -0.755 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.338 -0.207 2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.346 -1.200 1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.710 0.596 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.512 1.273 -0.105 1.00 0.00 H new ATOM 0 HE ARG A 22 0.468 2.331 1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.907 1.492 1.793 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.370 2.686 3.010 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.083 3.842 3.532 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.782 4.007 3.987 1.00 0.00 H new ATOM 363 N LYS A 23 -2.161 -1.660 -2.135 1.00 0.00 N ATOM 364 CA LYS A 23 -3.203 -1.505 -3.141 1.00 0.00 C ATOM 365 C LYS A 23 -4.560 -1.277 -2.484 1.00 0.00 C ATOM 366 O LYS A 23 -5.102 -2.168 -1.825 1.00 0.00 O ATOM 367 CB LYS A 23 -3.270 -2.743 -4.040 1.00 0.00 C ATOM 368 CG LYS A 23 -2.501 -2.593 -5.341 1.00 0.00 C ATOM 369 CD LYS A 23 -1.007 -2.767 -5.133 1.00 0.00 C ATOM 370 CE LYS A 23 -0.655 -4.210 -4.822 1.00 0.00 C ATOM 371 NZ LYS A 23 -0.242 -4.953 -6.043 1.00 0.00 N ATOM 0 H LYS A 23 -2.378 -2.340 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.955 -0.635 -3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.878 -3.600 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.314 -2.960 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.857 -3.330 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.697 -1.610 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.474 -2.446 -6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.675 -2.126 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.152 -4.238 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.514 -4.704 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.009 -5.935 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.021 -4.948 -6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.593 -4.496 -6.461 1.00 0.00 H new ATOM 385 N ILE A 24 -5.108 -0.078 -2.662 1.00 0.00 N ATOM 386 CA ILE A 24 -6.400 0.259 -2.080 1.00 0.00 C ATOM 387 C ILE A 24 -7.520 0.084 -3.100 1.00 0.00 C ATOM 388 O ILE A 24 -7.286 0.180 -4.302 1.00 0.00 O ATOM 389 CB ILE A 24 -6.422 1.709 -1.566 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.226 1.975 -0.654 1.00 0.00 C ATOM 391 CG2 ILE A 24 -7.724 1.990 -0.834 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.836 3.434 -0.585 1.00 0.00 C ATOM 0 H ILE A 24 -4.678 0.673 -3.203 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.558 -0.421 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.354 2.380 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.459 1.621 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.373 1.395 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.725 3.020 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.563 1.841 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.819 1.311 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.980 3.551 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.572 3.788 -1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.674 4.017 -0.203 1.00 0.00 H new ATOM 404 N ILE A 25 -8.739 -0.166 -2.623 1.00 0.00 N ATOM 405 CA ILE A 25 -9.879 -0.341 -3.510 1.00 0.00 C ATOM 406 C ILE A 25 -11.035 0.557 -3.087 1.00 0.00 C ATOM 407 O ILE A 25 -11.261 0.775 -1.896 1.00 0.00 O ATOM 408 CB ILE A 25 -10.351 -1.811 -3.551 1.00 0.00 C ATOM 409 CG1 ILE A 25 -11.061 -2.190 -2.247 1.00 0.00 C ATOM 410 CG2 ILE A 25 -9.170 -2.738 -3.811 1.00 0.00 C ATOM 411 CD1 ILE A 25 -11.289 -3.681 -2.091 1.00 0.00 C ATOM 0 H ILE A 25 -8.958 -0.251 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.552 -0.059 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.064 -1.922 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.471 -1.831 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.022 -1.678 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.517 -3.771 -3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.712 -2.485 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.435 -2.623 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.796 -3.875 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.905 -4.043 -2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.330 -4.199 -2.101 1.00 0.00 H new ATOM 423 N VAL A 26 -11.775 1.064 -4.065 1.00 0.00 N ATOM 424 CA VAL A 26 -12.915 1.929 -3.780 1.00 0.00 C ATOM 425 C VAL A 26 -14.181 1.398 -4.443 1.00 0.00 C ATOM 426 O VAL A 26 -14.273 1.332 -5.668 1.00 0.00 O ATOM 427 CB VAL A 26 -12.664 3.379 -4.249 1.00 0.00 C ATOM 428 CG1 VAL A 26 -12.474 3.430 -5.757 1.00 0.00 C ATOM 429 CG2 VAL A 26 -13.810 4.287 -3.821 1.00 0.00 C ATOM 0 H VAL A 26 -11.609 0.893 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.046 1.932 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.749 3.737 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.299 4.460 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.618 2.816 -6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.369 3.050 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.615 5.304 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.741 3.930 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.895 4.277 -2.734 1.00 0.00 H new ATOM 439 N ALA A 27 -15.159 1.020 -3.623 1.00 0.00 N ATOM 440 CA ALA A 27 -16.418 0.498 -4.138 1.00 0.00 C ATOM 441 C ALA A 27 -17.573 1.444 -3.829 1.00 0.00 C ATOM 442 O ALA A 27 -17.824 1.782 -2.671 1.00 0.00 O ATOM 443 CB ALA A 27 -16.690 -0.884 -3.559 1.00 0.00 C ATOM 0 H ALA A 27 -15.103 1.066 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.335 0.416 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.633 -1.264 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.882 -1.561 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.749 -0.818 -2.473 1.00 0.00 H new ATOM 449 N CYS A 28 -18.266 1.874 -4.879 1.00 0.00 N ATOM 450 CA CYS A 28 -19.390 2.791 -4.729 1.00 0.00 C ATOM 451 C CYS A 28 -20.564 2.368 -5.604 1.00 0.00 C ATOM 452 O CYS A 28 -20.426 2.219 -6.818 1.00 0.00 O ATOM 453 CB CYS A 28 -18.963 4.218 -5.083 1.00 0.00 C ATOM 454 SG CYS A 28 -19.651 5.483 -3.990 1.00 0.00 S ATOM 0 H CYS A 28 -18.069 1.602 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.710 2.761 -3.688 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.875 4.279 -5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.266 4.434 -6.108 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.233 6.655 -4.366 1.00 0.00 H new ATOM 510 N THR A 34 -19.109 11.158 -7.719 1.00 0.00 N ATOM 511 CA THR A 34 -18.342 10.828 -6.527 1.00 0.00 C ATOM 512 C THR A 34 -17.136 9.961 -6.877 1.00 0.00 C ATOM 513 O THR A 34 -16.236 9.777 -6.058 1.00 0.00 O ATOM 514 CB THR A 34 -19.226 10.106 -5.507 1.00 0.00 C ATOM 515 OG1 THR A 34 -19.605 8.826 -5.986 1.00 0.00 O ATOM 516 CG2 THR A 34 -20.492 10.861 -5.171 1.00 0.00 C ATOM 0 HA THR A 34 -17.982 11.759 -6.089 1.00 0.00 H new ATOM 0 HB THR A 34 -18.618 10.027 -4.606 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.813 8.883 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.072 10.294 -4.443 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.235 11.834 -4.751 1.00 0.00 H new ATOM 0 HG23 THR A 34 -21.083 11.001 -6.076 1.00 0.00 H new ATOM 524 N SER A 35 -17.120 9.430 -8.098 1.00 0.00 N ATOM 525 CA SER A 35 -16.019 8.588 -8.549 1.00 0.00 C ATOM 526 C SER A 35 -14.762 9.422 -8.776 1.00 0.00 C ATOM 527 O SER A 35 -13.710 9.145 -8.201 1.00 0.00 O ATOM 528 CB SER A 35 -16.402 7.852 -9.836 1.00 0.00 C ATOM 529 OG SER A 35 -16.408 6.448 -9.639 1.00 0.00 O ATOM 0 H SER A 35 -17.856 9.569 -8.790 1.00 0.00 H new ATOM 0 HA SER A 35 -15.812 7.852 -7.772 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.387 8.180 -10.167 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.698 8.108 -10.628 1.00 0.00 H new ATOM 0 HG SER A 35 -16.657 6.001 -10.475 1.00 0.00 H new ATOM 535 N THR A 36 -14.877 10.442 -9.618 1.00 0.00 N ATOM 536 CA THR A 36 -13.747 11.312 -9.916 1.00 0.00 C ATOM 537 C THR A 36 -13.320 12.093 -8.677 1.00 0.00 C ATOM 538 O THR A 36 -12.131 12.307 -8.448 1.00 0.00 O ATOM 539 CB THR A 36 -14.100 12.278 -11.049 1.00 0.00 C ATOM 540 OG1 THR A 36 -12.992 13.103 -11.367 1.00 0.00 O ATOM 541 CG2 THR A 36 -15.268 13.184 -10.726 1.00 0.00 C ATOM 0 H THR A 36 -15.739 10.686 -10.105 1.00 0.00 H new ATOM 0 HA THR A 36 -12.913 10.685 -10.233 1.00 0.00 H new ATOM 0 HB THR A 36 -14.377 11.644 -11.891 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.236 13.713 -12.094 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.463 13.842 -11.573 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.152 12.580 -10.525 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.031 13.784 -9.847 1.00 0.00 H new ATOM 549 N MET A 37 -14.301 12.516 -7.884 1.00 0.00 N ATOM 550 CA MET A 37 -14.032 13.277 -6.667 1.00 0.00 C ATOM 551 C MET A 37 -13.188 12.470 -5.684 1.00 0.00 C ATOM 552 O MET A 37 -12.145 12.933 -5.225 1.00 0.00 O ATOM 553 CB MET A 37 -15.348 13.701 -6.008 1.00 0.00 C ATOM 554 CG MET A 37 -15.159 14.528 -4.748 1.00 0.00 C ATOM 555 SD MET A 37 -16.421 14.195 -3.505 1.00 0.00 S ATOM 556 CE MET A 37 -15.886 15.279 -2.185 1.00 0.00 C ATOM 0 H MET A 37 -15.290 12.344 -8.063 1.00 0.00 H new ATOM 0 HA MET A 37 -13.467 14.167 -6.944 1.00 0.00 H new ATOM 0 HB2 MET A 37 -15.935 14.275 -6.725 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.926 12.810 -5.764 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.175 14.321 -4.326 1.00 0.00 H new ATOM 0 HG3 MET A 37 -15.179 15.587 -5.006 1.00 0.00 H new ATOM 0 HE1 MET A 37 -16.391 15.002 -1.260 1.00 0.00 H new ATOM 0 HE2 MET A 37 -14.808 15.186 -2.052 1.00 0.00 H new ATOM 0 HE3 MET A 37 -16.132 16.310 -2.439 1.00 0.00 H new ATOM 566 N ALA A 38 -13.646 11.266 -5.357 1.00 0.00 N ATOM 567 CA ALA A 38 -12.926 10.408 -4.423 1.00 0.00 C ATOM 568 C ALA A 38 -11.593 9.965 -5.010 1.00 0.00 C ATOM 569 O ALA A 38 -10.549 10.079 -4.368 1.00 0.00 O ATOM 570 CB ALA A 38 -13.767 9.194 -4.062 1.00 0.00 C ATOM 0 H ALA A 38 -14.509 10.864 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.729 10.983 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.216 8.564 -3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.698 9.521 -3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.992 8.626 -4.965 1.00 0.00 H new ATOM 576 N ALA A 39 -11.642 9.454 -6.236 1.00 0.00 N ATOM 577 CA ALA A 39 -10.444 8.986 -6.922 1.00 0.00 C ATOM 578 C ALA A 39 -9.343 10.041 -6.889 1.00 0.00 C ATOM 579 O ALA A 39 -8.214 9.759 -6.491 1.00 0.00 O ATOM 580 CB ALA A 39 -10.779 8.604 -8.357 1.00 0.00 C ATOM 0 H ALA A 39 -12.502 9.354 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.073 8.104 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.877 8.256 -8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.525 7.809 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.175 9.473 -8.882 1.00 0.00 H new ATOM 586 N GLU A 40 -9.681 11.260 -7.302 1.00 0.00 N ATOM 587 CA GLU A 40 -8.716 12.355 -7.310 1.00 0.00 C ATOM 588 C GLU A 40 -8.244 12.674 -5.894 1.00 0.00 C ATOM 589 O GLU A 40 -7.102 13.079 -5.686 1.00 0.00 O ATOM 590 CB GLU A 40 -9.328 13.605 -7.957 1.00 0.00 C ATOM 591 CG GLU A 40 -10.390 14.289 -7.107 1.00 0.00 C ATOM 592 CD GLU A 40 -10.205 15.791 -7.035 1.00 0.00 C ATOM 593 OE1 GLU A 40 -9.902 16.403 -8.080 1.00 0.00 O ATOM 594 OE2 GLU A 40 -10.362 16.357 -5.931 1.00 0.00 O ATOM 0 H GLU A 40 -10.612 11.513 -7.634 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.853 12.041 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.532 14.319 -8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.768 13.327 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.375 14.068 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.364 13.875 -6.099 1.00 0.00 H new ATOM 601 N GLU A 41 -9.138 12.492 -4.926 1.00 0.00 N ATOM 602 CA GLU A 41 -8.828 12.766 -3.527 1.00 0.00 C ATOM 603 C GLU A 41 -7.792 11.782 -2.991 1.00 0.00 C ATOM 604 O GLU A 41 -6.777 12.180 -2.418 1.00 0.00 O ATOM 605 CB GLU A 41 -10.101 12.692 -2.684 1.00 0.00 C ATOM 606 CG GLU A 41 -9.957 13.333 -1.316 1.00 0.00 C ATOM 607 CD GLU A 41 -10.224 14.825 -1.340 1.00 0.00 C ATOM 608 OE1 GLU A 41 -9.847 15.481 -2.333 1.00 0.00 O ATOM 609 OE2 GLU A 41 -10.811 15.337 -0.365 1.00 0.00 O ATOM 0 H GLU A 41 -10.087 12.154 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.410 13.771 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.913 13.181 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.385 11.647 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.647 12.855 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.950 13.154 -0.939 1.00 0.00 H new ATOM 616 N ILE A 42 -8.059 10.496 -3.177 1.00 0.00 N ATOM 617 CA ILE A 42 -7.158 9.449 -2.715 1.00 0.00 C ATOM 618 C ILE A 42 -5.826 9.504 -3.458 1.00 0.00 C ATOM 619 O ILE A 42 -4.768 9.294 -2.867 1.00 0.00 O ATOM 620 CB ILE A 42 -7.784 8.056 -2.906 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.240 8.049 -2.425 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.973 7.000 -2.168 1.00 0.00 C ATOM 623 CD1 ILE A 42 -10.218 7.535 -3.461 1.00 0.00 C ATOM 0 H ILE A 42 -8.896 10.152 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.983 9.621 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.772 7.818 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.315 7.433 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.525 9.062 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.431 6.022 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.955 6.986 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.952 7.235 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.228 7.559 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.172 8.165 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.959 6.511 -3.729 1.00 0.00 H new ATOM 635 N LYS A 43 -5.886 9.791 -4.754 1.00 0.00 N ATOM 636 CA LYS A 43 -4.681 9.878 -5.573 1.00 0.00 C ATOM 637 C LYS A 43 -3.869 11.117 -5.207 1.00 0.00 C ATOM 638 O LYS A 43 -2.673 11.026 -4.927 1.00 0.00 O ATOM 639 CB LYS A 43 -5.042 9.905 -7.061 1.00 0.00 C ATOM 640 CG LYS A 43 -4.457 8.741 -7.845 1.00 0.00 C ATOM 641 CD LYS A 43 -3.360 9.198 -8.796 1.00 0.00 C ATOM 642 CE LYS A 43 -3.523 8.580 -10.176 1.00 0.00 C ATOM 643 NZ LYS A 43 -2.388 8.928 -11.077 1.00 0.00 N ATOM 0 H LYS A 43 -6.754 9.967 -5.260 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.074 8.994 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.127 9.894 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.690 10.840 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.054 8.002 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.248 8.249 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.379 10.285 -8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.387 8.926 -8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.594 7.496 -10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.458 8.923 -10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.536 8.488 -12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.336 9.961 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.499 8.578 -10.666 1.00 0.00 H new ATOM 657 N GLU A 44 -4.527 12.275 -5.211 1.00 0.00 N ATOM 658 CA GLU A 44 -3.866 13.536 -4.878 1.00 0.00 C ATOM 659 C GLU A 44 -3.158 13.443 -3.528 1.00 0.00 C ATOM 660 O GLU A 44 -2.074 13.998 -3.344 1.00 0.00 O ATOM 661 CB GLU A 44 -4.883 14.686 -4.861 1.00 0.00 C ATOM 662 CG GLU A 44 -5.795 14.694 -3.640 1.00 0.00 C ATOM 663 CD GLU A 44 -6.581 15.985 -3.504 1.00 0.00 C ATOM 664 OE1 GLU A 44 -7.523 16.193 -4.295 1.00 0.00 O ATOM 665 OE2 GLU A 44 -6.253 16.787 -2.604 1.00 0.00 O ATOM 0 H GLU A 44 -5.517 12.366 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.118 13.736 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.345 15.633 -4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.497 14.626 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.489 13.856 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.195 14.542 -2.743 1.00 0.00 H new ATOM 672 N LEU A 45 -3.781 12.739 -2.588 1.00 0.00 N ATOM 673 CA LEU A 45 -3.216 12.573 -1.253 1.00 0.00 C ATOM 674 C LEU A 45 -1.998 11.655 -1.288 1.00 0.00 C ATOM 675 O LEU A 45 -0.965 11.957 -0.692 1.00 0.00 O ATOM 676 CB LEU A 45 -4.270 12.012 -0.296 1.00 0.00 C ATOM 677 CG LEU A 45 -4.704 12.970 0.818 1.00 0.00 C ATOM 678 CD1 LEU A 45 -6.180 13.317 0.685 1.00 0.00 C ATOM 679 CD2 LEU A 45 -4.419 12.368 2.187 1.00 0.00 C ATOM 0 H LEU A 45 -4.678 12.274 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.898 13.552 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.149 11.727 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.879 11.102 0.159 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.126 13.889 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.467 13.998 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.356 13.795 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.775 12.406 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.735 13.065 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.967 11.432 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.351 12.176 2.285 1.00 0.00 H new ATOM 691 N CYS A 46 -2.127 10.533 -1.989 1.00 0.00 N ATOM 692 CA CYS A 46 -1.036 9.570 -2.101 1.00 0.00 C ATOM 693 C CYS A 46 0.253 10.253 -2.550 1.00 0.00 C ATOM 694 O CYS A 46 1.346 9.877 -2.127 1.00 0.00 O ATOM 695 CB CYS A 46 -1.408 8.461 -3.085 1.00 0.00 C ATOM 696 SG CYS A 46 -2.683 7.333 -2.475 1.00 0.00 S ATOM 0 H CYS A 46 -2.976 10.268 -2.488 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.869 9.133 -1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.753 8.915 -4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.513 7.886 -3.324 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.833 7.940 -2.469 1.00 0.00 H new ATOM 702 N GLN A 47 0.116 11.258 -3.407 1.00 0.00 N ATOM 703 CA GLN A 47 1.269 11.993 -3.911 1.00 0.00 C ATOM 704 C GLN A 47 1.771 12.996 -2.877 1.00 0.00 C ATOM 705 O GLN A 47 2.973 13.218 -2.745 1.00 0.00 O ATOM 706 CB GLN A 47 0.912 12.716 -5.209 1.00 0.00 C ATOM 707 CG GLN A 47 2.068 12.808 -6.191 1.00 0.00 C ATOM 708 CD GLN A 47 1.903 11.879 -7.377 1.00 0.00 C ATOM 709 OE1 GLN A 47 1.541 12.308 -8.472 1.00 0.00 O ATOM 710 NE2 GLN A 47 2.168 10.594 -7.164 1.00 0.00 N ATOM 0 H GLN A 47 -0.782 11.582 -3.767 1.00 0.00 H new ATOM 0 HA GLN A 47 2.065 11.276 -4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.080 12.198 -5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.567 13.722 -4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.155 13.834 -6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.998 12.570 -5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.466 10.281 -6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.074 9.921 -7.925 1.00 0.00 H new ATOM 719 N SER A 48 0.840 13.599 -2.144 1.00 0.00 N ATOM 720 CA SER A 48 1.188 14.579 -1.119 1.00 0.00 C ATOM 721 C SER A 48 2.173 13.986 -0.112 1.00 0.00 C ATOM 722 O SER A 48 3.146 14.632 0.273 1.00 0.00 O ATOM 723 CB SER A 48 -0.072 15.068 -0.402 1.00 0.00 C ATOM 724 OG SER A 48 -0.275 16.453 -0.616 1.00 0.00 O ATOM 0 H SER A 48 -0.161 13.427 -2.240 1.00 0.00 H new ATOM 0 HA SER A 48 1.667 15.428 -1.607 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.938 14.511 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.014 14.871 0.667 1.00 0.00 H new ATOM 0 HG SER A 48 -1.087 16.741 -0.149 1.00 0.00 H new ATOM 730 N HIS A 49 1.907 12.753 0.308 1.00 0.00 N ATOM 731 CA HIS A 49 2.766 12.070 1.270 1.00 0.00 C ATOM 732 C HIS A 49 3.832 11.225 0.572 1.00 0.00 C ATOM 733 O HIS A 49 4.670 10.607 1.228 1.00 0.00 O ATOM 734 CB HIS A 49 1.921 11.190 2.194 1.00 0.00 C ATOM 735 CG HIS A 49 1.621 11.827 3.516 1.00 0.00 C ATOM 736 ND1 HIS A 49 1.002 13.052 3.639 1.00 0.00 N ATOM 737 CD2 HIS A 49 1.856 11.399 4.779 1.00 0.00 C ATOM 738 CE1 HIS A 49 0.870 13.352 4.918 1.00 0.00 C ATOM 739 NE2 HIS A 49 1.380 12.365 5.632 1.00 0.00 N ATOM 0 H HIS A 49 1.104 12.206 -0.002 1.00 0.00 H new ATOM 0 HA HIS A 49 3.277 12.830 1.860 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.983 10.949 1.695 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.443 10.248 2.364 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.330 10.471 5.063 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.421 14.251 5.313 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.415 12.326 6.651 1.00 0.00 H new ATOM 748 N ASN A 50 3.800 11.198 -0.760 1.00 0.00 N ATOM 749 CA ASN A 50 4.768 10.427 -1.533 1.00 0.00 C ATOM 750 C ASN A 50 4.784 8.966 -1.090 1.00 0.00 C ATOM 751 O ASN A 50 5.834 8.419 -0.751 1.00 0.00 O ATOM 752 CB ASN A 50 6.164 11.035 -1.392 1.00 0.00 C ATOM 753 CG ASN A 50 6.365 12.235 -2.295 1.00 0.00 C ATOM 754 OD1 ASN A 50 5.405 12.886 -2.704 1.00 0.00 O ATOM 755 ND2 ASN A 50 7.619 12.536 -2.611 1.00 0.00 N ATOM 0 H ASN A 50 3.115 11.701 -1.324 1.00 0.00 H new ATOM 0 HA ASN A 50 4.469 10.463 -2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.325 11.332 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.912 10.278 -1.626 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.815 13.334 -3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.386 11.969 -2.250 1.00 0.00 H new ATOM 762 N ILE A 51 3.613 8.343 -1.097 1.00 0.00 N ATOM 763 CA ILE A 51 3.485 6.947 -0.699 1.00 0.00 C ATOM 764 C ILE A 51 3.069 6.086 -1.888 1.00 0.00 C ATOM 765 O ILE A 51 1.914 6.122 -2.312 1.00 0.00 O ATOM 766 CB ILE A 51 2.451 6.777 0.432 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.673 7.832 1.515 1.00 0.00 C ATOM 768 CG2 ILE A 51 2.535 5.377 1.024 1.00 0.00 C ATOM 769 CD1 ILE A 51 1.546 7.914 2.522 1.00 0.00 C ATOM 0 H ILE A 51 2.736 8.784 -1.375 1.00 0.00 H new ATOM 0 HA ILE A 51 4.460 6.624 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 51 1.453 6.913 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.603 7.612 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.797 8.806 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.798 5.274 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.333 4.640 0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.533 5.213 1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.773 8.684 3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.617 8.165 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.435 6.952 3.023 1.00 0.00 H new ATOM 781 N PRO A 52 4.004 5.304 -2.455 1.00 0.00 N ATOM 782 CA PRO A 52 3.708 4.450 -3.606 1.00 0.00 C ATOM 783 C PRO A 52 2.547 3.497 -3.331 1.00 0.00 C ATOM 784 O PRO A 52 2.602 2.678 -2.414 1.00 0.00 O ATOM 785 CB PRO A 52 5.008 3.674 -3.840 1.00 0.00 C ATOM 786 CG PRO A 52 6.074 4.472 -3.168 1.00 0.00 C ATOM 787 CD PRO A 52 5.412 5.199 -2.029 1.00 0.00 C ATOM 0 HA PRO A 52 3.398 5.033 -4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.946 2.670 -3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.213 3.563 -4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.871 3.824 -2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.529 5.176 -3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.508 4.649 -1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.856 6.181 -1.868 1.00 0.00 H new ATOM 795 N VAL A 53 1.493 3.622 -4.132 1.00 0.00 N ATOM 796 CA VAL A 53 0.308 2.785 -3.991 1.00 0.00 C ATOM 797 C VAL A 53 -0.506 2.797 -5.279 1.00 0.00 C ATOM 798 O VAL A 53 -0.263 3.615 -6.166 1.00 0.00 O ATOM 799 CB VAL A 53 -0.591 3.258 -2.829 1.00 0.00 C ATOM 800 CG1 VAL A 53 0.112 3.068 -1.493 1.00 0.00 C ATOM 801 CG2 VAL A 53 -0.999 4.710 -3.024 1.00 0.00 C ATOM 0 H VAL A 53 1.437 4.301 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 53 0.654 1.774 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.495 2.649 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.539 3.408 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.344 2.013 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.035 3.647 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.632 5.025 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.108 5.337 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.550 4.811 -3.959 1.00 0.00 H new ATOM 811 N GLU A 54 -1.470 1.891 -5.381 1.00 0.00 N ATOM 812 CA GLU A 54 -2.313 1.811 -6.569 1.00 0.00 C ATOM 813 C GLU A 54 -3.788 1.818 -6.183 1.00 0.00 C ATOM 814 O GLU A 54 -4.255 0.930 -5.465 1.00 0.00 O ATOM 815 CB GLU A 54 -1.993 0.550 -7.376 1.00 0.00 C ATOM 816 CG GLU A 54 -0.515 0.185 -7.396 1.00 0.00 C ATOM 817 CD GLU A 54 0.125 0.382 -8.757 1.00 0.00 C ATOM 818 OE1 GLU A 54 0.115 1.526 -9.258 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.639 -0.608 -9.319 1.00 0.00 O ATOM 0 H GLU A 54 -1.688 1.204 -4.659 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.107 2.685 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.557 -0.286 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.336 0.691 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.014 0.792 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.399 -0.856 -7.093 1.00 0.00 H new ATOM 826 N LEU A 55 -4.516 2.828 -6.655 1.00 0.00 N ATOM 827 CA LEU A 55 -5.938 2.951 -6.352 1.00 0.00 C ATOM 828 C LEU A 55 -6.793 2.283 -7.421 1.00 0.00 C ATOM 829 O LEU A 55 -6.809 2.707 -8.576 1.00 0.00 O ATOM 830 CB LEU A 55 -6.333 4.426 -6.217 1.00 0.00 C ATOM 831 CG LEU A 55 -7.835 4.688 -6.006 1.00 0.00 C ATOM 832 CD1 LEU A 55 -8.067 5.563 -4.779 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.450 5.331 -7.244 1.00 0.00 C ATOM 0 H LEU A 55 -4.145 3.571 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.118 2.444 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.785 4.857 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.011 4.955 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.324 3.728 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.136 5.734 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.671 5.063 -3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.560 6.519 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.512 5.507 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.953 6.280 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.326 4.666 -8.099 1.00 0.00 H new ATOM 845 N ILE A 56 -7.513 1.244 -7.019 1.00 0.00 N ATOM 846 CA ILE A 56 -8.390 0.516 -7.925 1.00 0.00 C ATOM 847 C ILE A 56 -9.847 0.866 -7.644 1.00 0.00 C ATOM 848 O ILE A 56 -10.215 1.147 -6.503 1.00 0.00 O ATOM 849 CB ILE A 56 -8.191 -1.008 -7.788 1.00 0.00 C ATOM 850 CG1 ILE A 56 -8.982 -1.763 -8.857 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.591 -1.471 -6.399 1.00 0.00 C ATOM 852 CD1 ILE A 56 -8.163 -2.811 -9.579 1.00 0.00 C ATOM 0 H ILE A 56 -7.506 0.885 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.135 0.810 -8.943 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.134 -1.228 -7.936 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.843 -2.242 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.369 -1.049 -9.584 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.445 -2.548 -6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.976 -0.965 -5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.640 -1.233 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.784 -3.309 -10.324 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.316 -2.334 -10.073 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.798 -3.546 -8.861 1.00 0.00 H new ATOM 864 N GLN A 57 -10.680 0.828 -8.677 1.00 0.00 N ATOM 865 CA GLN A 57 -12.098 1.124 -8.524 1.00 0.00 C ATOM 866 C GLN A 57 -12.920 -0.088 -8.945 1.00 0.00 C ATOM 867 O GLN A 57 -12.621 -0.731 -9.952 1.00 0.00 O ATOM 868 CB GLN A 57 -12.488 2.353 -9.354 1.00 0.00 C ATOM 869 CG GLN A 57 -11.800 3.634 -8.908 1.00 0.00 C ATOM 870 CD GLN A 57 -10.779 4.132 -9.913 1.00 0.00 C ATOM 871 OE1 GLN A 57 -10.456 3.441 -10.880 1.00 0.00 O ATOM 872 NE2 GLN A 57 -10.264 5.335 -9.689 1.00 0.00 N ATOM 0 H GLN A 57 -10.398 0.595 -9.629 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.302 1.348 -7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.246 2.166 -10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.568 2.492 -9.297 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.551 4.407 -8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.308 3.463 -7.951 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.561 5.873 -8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.572 5.721 -10.331 1.00 0.00 H new ATOM 881 N CYS A 58 -13.937 -0.419 -8.159 1.00 0.00 N ATOM 882 CA CYS A 58 -14.775 -1.576 -8.440 1.00 0.00 C ATOM 883 C CYS A 58 -16.176 -1.380 -7.873 1.00 0.00 C ATOM 884 O CYS A 58 -16.416 -0.457 -7.099 1.00 0.00 O ATOM 885 CB CYS A 58 -14.136 -2.831 -7.850 1.00 0.00 C ATOM 886 SG CYS A 58 -12.925 -3.623 -8.933 1.00 0.00 S ATOM 0 H CYS A 58 -14.201 0.099 -7.321 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.860 -1.691 -9.521 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.650 -2.570 -6.910 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.921 -3.549 -7.615 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.376 -2.727 -9.699 1.00 0.00 H new ATOM 892 N ARG A 59 -17.102 -2.249 -8.261 1.00 0.00 N ATOM 893 CA ARG A 59 -18.478 -2.166 -7.786 1.00 0.00 C ATOM 894 C ARG A 59 -18.629 -2.850 -6.430 1.00 0.00 C ATOM 895 O ARG A 59 -17.644 -3.128 -5.749 1.00 0.00 O ATOM 896 CB ARG A 59 -19.419 -2.811 -8.805 1.00 0.00 C ATOM 897 CG ARG A 59 -19.590 -1.993 -10.071 1.00 0.00 C ATOM 898 CD ARG A 59 -19.178 -2.783 -11.301 1.00 0.00 C ATOM 899 NE ARG A 59 -18.420 -1.966 -12.245 1.00 0.00 N ATOM 900 CZ ARG A 59 -18.473 -2.112 -13.568 1.00 0.00 C ATOM 901 NH1 ARG A 59 -19.228 -3.058 -14.116 1.00 0.00 N ATOM 902 NH2 ARG A 59 -17.763 -1.308 -14.347 1.00 0.00 N ATOM 0 H ARG A 59 -16.925 -3.020 -8.904 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.739 -1.114 -7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -19.037 -3.797 -9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.395 -2.960 -8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.630 -1.683 -10.168 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.991 -1.085 -10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.576 -3.639 -10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -20.067 -3.177 -11.794 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.812 -1.239 -11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.775 -3.682 -13.522 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.261 -3.160 -15.130 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.179 -0.581 -13.933 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.800 -1.416 -15.361 1.00 0.00 H new ATOM 916 N VAL A 60 -19.874 -3.118 -6.046 1.00 0.00 N ATOM 917 CA VAL A 60 -20.165 -3.767 -4.776 1.00 0.00 C ATOM 918 C VAL A 60 -19.811 -5.257 -4.809 1.00 0.00 C ATOM 919 O VAL A 60 -19.772 -5.911 -3.767 1.00 0.00 O ATOM 920 CB VAL A 60 -21.652 -3.601 -4.399 1.00 0.00 C ATOM 921 CG1 VAL A 60 -22.550 -4.154 -5.496 1.00 0.00 C ATOM 922 CG2 VAL A 60 -21.956 -4.266 -3.061 1.00 0.00 C ATOM 0 H VAL A 60 -20.700 -2.893 -6.601 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.547 -3.280 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.857 -2.535 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -23.594 -4.027 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -22.361 -3.618 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -22.339 -5.214 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.011 -4.133 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -21.729 -5.330 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -21.346 -3.810 -2.281 1.00 0.00 H new ATOM 932 N ASN A 61 -19.548 -5.791 -6.002 1.00 0.00 N ATOM 933 CA ASN A 61 -19.200 -7.203 -6.138 1.00 0.00 C ATOM 934 C ASN A 61 -18.171 -7.417 -7.244 1.00 0.00 C ATOM 935 O ASN A 61 -18.426 -8.121 -8.223 1.00 0.00 O ATOM 936 CB ASN A 61 -20.452 -8.034 -6.419 1.00 0.00 C ATOM 937 CG ASN A 61 -20.240 -9.509 -6.139 1.00 0.00 C ATOM 938 OD1 ASN A 61 -20.573 -10.001 -5.062 1.00 0.00 O ATOM 939 ND2 ASN A 61 -19.677 -10.223 -7.108 1.00 0.00 N ATOM 0 H ASN A 61 -19.569 -5.272 -6.880 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.758 -7.530 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.275 -7.665 -5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.746 -7.903 -7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -19.506 -11.219 -6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -19.416 -9.775 -7.986 1.00 0.00 H new ATOM 946 N GLU A 62 -17.007 -6.808 -7.074 1.00 0.00 N ATOM 947 CA GLU A 62 -15.927 -6.928 -8.046 1.00 0.00 C ATOM 948 C GLU A 62 -14.566 -6.943 -7.349 1.00 0.00 C ATOM 949 O GLU A 62 -13.647 -7.641 -7.775 1.00 0.00 O ATOM 950 CB GLU A 62 -15.992 -5.781 -9.053 1.00 0.00 C ATOM 951 CG GLU A 62 -15.156 -6.020 -10.298 1.00 0.00 C ATOM 952 CD GLU A 62 -15.709 -5.303 -11.514 1.00 0.00 C ATOM 953 OE1 GLU A 62 -16.170 -4.152 -11.367 1.00 0.00 O ATOM 954 OE2 GLU A 62 -15.679 -5.893 -12.615 1.00 0.00 O ATOM 0 H GLU A 62 -16.784 -6.223 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.049 -7.872 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.030 -5.624 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.655 -4.864 -8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.135 -5.685 -10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.109 -7.090 -10.501 1.00 0.00 H new ATOM 961 N ILE A 63 -14.452 -6.170 -6.274 1.00 0.00 N ATOM 962 CA ILE A 63 -13.214 -6.087 -5.502 1.00 0.00 C ATOM 963 C ILE A 63 -12.854 -7.437 -4.879 1.00 0.00 C ATOM 964 O ILE A 63 -11.699 -7.862 -4.916 1.00 0.00 O ATOM 965 CB ILE A 63 -13.320 -5.033 -4.377 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.734 -4.997 -3.787 1.00 0.00 C ATOM 967 CG2 ILE A 63 -12.936 -3.662 -4.902 1.00 0.00 C ATOM 968 CD1 ILE A 63 -14.787 -4.438 -2.383 1.00 0.00 C ATOM 0 H ILE A 63 -15.208 -5.587 -5.914 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.431 -5.791 -6.200 1.00 0.00 H new ATOM 0 HB ILE A 63 -12.628 -5.315 -3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.374 -4.396 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -15.144 -6.007 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -13.015 -2.929 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.910 -3.687 -5.270 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -13.606 -3.383 -5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.818 -4.442 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.174 -5.052 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.408 -3.416 -2.384 1.00 0.00 H new ATOM 980 N GLU A 64 -13.857 -8.098 -4.306 1.00 0.00 N ATOM 981 CA GLU A 64 -13.676 -9.400 -3.663 1.00 0.00 C ATOM 982 C GLU A 64 -12.960 -10.389 -4.582 1.00 0.00 C ATOM 983 O GLU A 64 -12.030 -11.075 -4.162 1.00 0.00 O ATOM 984 CB GLU A 64 -15.033 -9.975 -3.249 1.00 0.00 C ATOM 985 CG GLU A 64 -14.928 -11.206 -2.366 1.00 0.00 C ATOM 986 CD GLU A 64 -16.200 -12.029 -2.362 1.00 0.00 C ATOM 987 OE1 GLU A 64 -17.291 -11.435 -2.231 1.00 0.00 O ATOM 988 OE2 GLU A 64 -16.105 -13.268 -2.488 1.00 0.00 O ATOM 0 H GLU A 64 -14.815 -7.749 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.055 -9.248 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.598 -9.207 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.600 -10.228 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.100 -11.826 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.695 -10.899 -1.346 1.00 0.00 H new ATOM 995 N THR A 65 -13.392 -10.452 -5.839 1.00 0.00 N ATOM 996 CA THR A 65 -12.778 -11.360 -6.809 1.00 0.00 C ATOM 997 C THR A 65 -11.449 -10.799 -7.306 1.00 0.00 C ATOM 998 O THR A 65 -10.530 -11.550 -7.636 1.00 0.00 O ATOM 999 CB THR A 65 -13.707 -11.603 -8.010 1.00 0.00 C ATOM 1000 OG1 THR A 65 -15.075 -11.632 -7.622 1.00 0.00 O ATOM 1001 CG2 THR A 65 -13.414 -12.902 -8.740 1.00 0.00 C ATOM 0 H THR A 65 -14.159 -9.891 -6.210 1.00 0.00 H new ATOM 0 HA THR A 65 -12.604 -12.309 -6.301 1.00 0.00 H new ATOM 0 HB THR A 65 -13.515 -10.765 -8.679 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.636 -11.787 -8.411 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.104 -13.013 -9.576 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.390 -12.886 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.537 -13.740 -8.054 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.358 -9.473 -7.360 1.00 0.00 N ATOM 1010 CA TYR A 66 -10.151 -8.790 -7.818 1.00 0.00 C ATOM 1011 C TYR A 66 -9.178 -8.546 -6.662 1.00 0.00 C ATOM 1012 O TYR A 66 -8.231 -7.768 -6.791 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.512 -7.459 -8.486 1.00 0.00 C ATOM 1014 CG TYR A 66 -11.184 -7.616 -9.836 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -12.258 -8.484 -10.008 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -10.743 -6.894 -10.939 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -12.870 -8.627 -11.239 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -11.351 -7.032 -12.172 1.00 0.00 C ATOM 1019 CZ TYR A 66 -12.413 -7.900 -12.316 1.00 0.00 C ATOM 1020 OH TYR A 66 -13.022 -8.040 -13.543 1.00 0.00 O ATOM 0 H TYR A 66 -12.114 -8.844 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.660 -9.435 -8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.172 -6.898 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.605 -6.867 -8.608 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -12.619 -9.055 -9.166 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.911 -6.214 -10.830 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.702 -9.305 -11.356 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.996 -6.463 -13.019 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.581 -7.457 -14.196 1.00 0.00 H new ATOM 1030 N MET A 67 -9.418 -9.213 -5.535 1.00 0.00 N ATOM 1031 CA MET A 67 -8.572 -9.076 -4.352 1.00 0.00 C ATOM 1032 C MET A 67 -7.201 -9.733 -4.559 1.00 0.00 C ATOM 1033 O MET A 67 -6.726 -10.479 -3.703 1.00 0.00 O ATOM 1034 CB MET A 67 -9.278 -9.709 -3.148 1.00 0.00 C ATOM 1035 CG MET A 67 -9.668 -8.716 -2.066 1.00 0.00 C ATOM 1036 SD MET A 67 -8.778 -9.000 -0.523 1.00 0.00 S ATOM 1037 CE MET A 67 -9.268 -10.683 -0.159 1.00 0.00 C ATOM 0 H MET A 67 -10.198 -9.859 -5.416 1.00 0.00 H new ATOM 0 HA MET A 67 -8.406 -8.014 -4.171 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.174 -10.223 -3.495 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.625 -10.466 -2.714 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.469 -7.703 -2.417 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.740 -8.785 -1.882 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.295 -10.828 0.921 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.257 -10.872 -0.576 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.550 -11.374 -0.600 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.574 -9.462 -5.701 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.269 -10.036 -6.017 1.00 0.00 C ATOM 1049 C ASP A 68 -4.241 -9.716 -4.934 1.00 0.00 C ATOM 1050 O ASP A 68 -3.434 -10.566 -4.560 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.779 -9.520 -7.372 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.798 -10.596 -8.441 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -4.009 -11.558 -8.329 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -5.602 -10.475 -9.389 1.00 0.00 O ATOM 0 H ASP A 68 -6.949 -8.848 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.384 -11.119 -6.063 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.405 -8.686 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.765 -9.135 -7.266 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.273 -8.486 -4.437 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.337 -8.076 -3.406 1.00 0.00 C ATOM 1061 C GLY A 69 -3.646 -6.692 -2.880 1.00 0.00 C ATOM 1062 O GLY A 69 -2.832 -5.775 -2.998 1.00 0.00 O ATOM 0 H GLY A 69 -4.931 -7.764 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.366 -8.791 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.324 -8.094 -3.808 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.832 -6.542 -2.309 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.269 -5.263 -1.774 1.00 0.00 C ATOM 1068 C VAL A 70 -4.859 -5.098 -0.312 1.00 0.00 C ATOM 1069 O VAL A 70 -5.127 -5.962 0.523 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.794 -5.116 -1.924 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.192 -5.374 -3.370 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.525 -6.070 -0.992 1.00 0.00 C ATOM 0 H VAL A 70 -5.512 -7.295 -2.204 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.778 -4.476 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.077 -4.100 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.272 -5.270 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.693 -4.654 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.896 -6.384 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.601 -5.947 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.247 -7.096 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.252 -5.851 0.040 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.189 -3.986 -0.021 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.716 -3.702 1.331 1.00 0.00 C ATOM 1084 C HIS A 71 -4.723 -2.878 2.130 1.00 0.00 C ATOM 1085 O HIS A 71 -4.681 -2.862 3.360 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.379 -2.960 1.274 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.230 -3.819 0.852 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -0.093 -3.985 1.615 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -1.042 -4.565 -0.262 1.00 0.00 C ATOM 1090 CE1 HIS A 71 0.744 -4.793 0.990 1.00 0.00 C ATOM 1091 NE2 HIS A 71 0.190 -5.160 -0.151 1.00 0.00 N ATOM 0 H HIS A 71 -3.961 -3.265 -0.706 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.590 -4.659 1.838 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.468 -2.123 0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.165 -2.540 2.257 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.733 -4.672 -1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.715 -5.101 1.350 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.610 -5.785 -0.839 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.625 -2.194 1.432 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.638 -1.368 2.090 1.00 0.00 C ATOM 1102 C LEU A 72 -7.872 -1.249 1.205 1.00 0.00 C ATOM 1103 O LEU A 72 -7.769 -1.316 -0.016 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.093 0.034 2.394 1.00 0.00 C ATOM 1105 CG LEU A 72 -4.613 0.105 2.780 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -3.995 1.419 2.322 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -4.461 -0.055 4.280 1.00 0.00 C ATOM 0 H LEU A 72 -5.677 -2.194 0.413 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.906 -1.850 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.251 0.662 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.681 0.464 3.205 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.086 -0.708 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.943 1.446 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.079 1.502 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.520 2.251 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.405 -0.003 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.003 0.743 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.866 -1.020 4.586 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.040 -1.087 1.815 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.273 -0.969 1.046 1.00 0.00 C ATOM 1121 C ILE A 73 -11.220 0.070 1.646 1.00 0.00 C ATOM 1122 O ILE A 73 -11.300 0.230 2.862 1.00 0.00 O ATOM 1123 CB ILE A 73 -10.976 -2.341 0.926 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -12.477 -2.195 0.651 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -10.731 -3.182 2.160 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -13.184 -3.525 0.502 1.00 0.00 C ATOM 0 H ILE A 73 -9.159 -1.035 2.827 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.002 -0.627 0.047 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.540 -2.854 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -12.937 -1.635 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.619 -1.611 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.235 -4.142 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.660 -3.346 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.121 -2.664 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.243 -3.354 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.748 -4.078 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.071 -4.102 1.420 1.00 0.00 H new ATOM 1138 N CYS A 74 -11.939 0.773 0.775 1.00 0.00 N ATOM 1139 CA CYS A 74 -12.890 1.792 1.208 1.00 0.00 C ATOM 1140 C CYS A 74 -14.265 1.569 0.578 1.00 0.00 C ATOM 1141 O CYS A 74 -14.458 1.815 -0.611 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.377 3.190 0.858 1.00 0.00 C ATOM 1143 SG CYS A 74 -11.600 4.055 2.243 1.00 0.00 S ATOM 0 H CYS A 74 -11.881 0.655 -0.236 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.991 1.711 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.657 3.109 0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.209 3.790 0.489 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.196 5.227 1.851 1.00 0.00 H new ATOM 1149 N THR A 75 -15.221 1.118 1.386 1.00 0.00 N ATOM 1150 CA THR A 75 -16.579 0.879 0.908 1.00 0.00 C ATOM 1151 C THR A 75 -17.599 1.310 1.958 1.00 0.00 C ATOM 1152 O THR A 75 -17.317 1.289 3.156 1.00 0.00 O ATOM 1153 CB THR A 75 -16.781 -0.596 0.555 1.00 0.00 C ATOM 1154 OG1 THR A 75 -15.601 -1.144 -0.003 1.00 0.00 O ATOM 1155 CG2 THR A 75 -17.905 -0.823 -0.435 1.00 0.00 C ATOM 0 H THR A 75 -15.080 0.911 2.375 1.00 0.00 H new ATOM 0 HA THR A 75 -16.728 1.474 0.007 1.00 0.00 H new ATOM 0 HB THR A 75 -17.038 -1.087 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.823 -1.957 -0.504 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.996 -1.889 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.840 -0.454 -0.014 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.688 -0.290 -1.360 1.00 0.00 H new ATOM 1163 N THR A 76 -18.783 1.704 1.500 1.00 0.00 N ATOM 1164 CA THR A 76 -19.848 2.147 2.397 1.00 0.00 C ATOM 1165 C THR A 76 -20.687 0.967 2.880 1.00 0.00 C ATOM 1166 O THR A 76 -21.820 0.776 2.438 1.00 0.00 O ATOM 1167 CB THR A 76 -20.741 3.171 1.692 1.00 0.00 C ATOM 1168 OG1 THR A 76 -20.907 2.837 0.324 1.00 0.00 O ATOM 1169 CG2 THR A 76 -20.201 4.584 1.759 1.00 0.00 C ATOM 0 H THR A 76 -19.031 1.726 0.511 1.00 0.00 H new ATOM 0 HA THR A 76 -19.385 2.614 3.266 1.00 0.00 H new ATOM 0 HB THR A 76 -21.692 3.138 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 76 -21.482 3.503 -0.108 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.882 5.259 1.240 1.00 0.00 H new ATOM 0 HG22 THR A 76 -20.111 4.890 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.221 4.622 1.284 1.00 0.00 H new ATOM 1294 N GLY A 84 -13.455 -12.694 5.532 1.00 0.00 N ATOM 1295 CA GLY A 84 -12.068 -13.012 5.844 1.00 0.00 C ATOM 1296 C GLY A 84 -11.433 -12.009 6.789 1.00 0.00 C ATOM 1297 O GLY A 84 -11.499 -12.168 8.009 1.00 0.00 O ATOM 0 HA2 GLY A 84 -12.019 -14.006 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.492 -13.049 4.920 1.00 0.00 H new ATOM 1301 N ASP A 85 -10.819 -10.972 6.225 1.00 0.00 N ATOM 1302 CA ASP A 85 -10.172 -9.942 7.023 1.00 0.00 C ATOM 1303 C ASP A 85 -9.900 -8.698 6.186 1.00 0.00 C ATOM 1304 O ASP A 85 -8.988 -7.927 6.485 1.00 0.00 O ATOM 1305 CB ASP A 85 -8.860 -10.467 7.609 1.00 0.00 C ATOM 1306 CG ASP A 85 -8.615 -9.955 9.015 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -9.105 -8.853 9.338 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -7.933 -10.657 9.792 1.00 0.00 O ATOM 0 H ASP A 85 -10.758 -10.825 5.217 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.846 -9.675 7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.879 -11.557 7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.032 -10.169 6.966 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.695 -8.509 5.133 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.541 -7.365 4.250 1.00 0.00 C ATOM 1315 C ILE A 86 -10.641 -6.047 5.027 1.00 0.00 C ATOM 1316 O ILE A 86 -11.720 -5.649 5.455 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.601 -7.379 3.126 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.280 -6.313 2.080 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.992 -7.149 3.698 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -11.029 -6.858 0.691 1.00 0.00 C ATOM 0 H ILE A 86 -11.454 -9.139 4.874 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.550 -7.438 3.803 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.580 -8.358 2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.107 -5.604 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.400 -5.757 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.724 -7.162 2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.226 -7.937 4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.024 -6.182 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.809 -6.035 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.182 -7.544 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.915 -7.389 0.343 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.511 -5.357 5.234 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.482 -4.084 5.970 1.00 0.00 C ATOM 1334 C PRO A 87 -10.203 -2.958 5.233 1.00 0.00 C ATOM 1335 O PRO A 87 -9.567 -2.147 4.558 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.989 -3.766 6.063 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.378 -4.498 4.918 1.00 0.00 C ATOM 1338 CD PRO A 87 -8.171 -5.762 4.782 1.00 0.00 C ATOM 0 HA PRO A 87 -9.987 -4.167 6.932 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.807 -2.694 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.571 -4.097 7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.424 -3.906 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.326 -4.713 5.106 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.183 -6.123 3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.762 -6.564 5.397 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.531 -2.916 5.341 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.310 -1.886 4.657 1.00 0.00 C ATOM 1348 C LEU A 88 -12.758 -0.779 5.596 1.00 0.00 C ATOM 1349 O LEU A 88 -12.812 -0.954 6.814 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.513 -2.499 3.931 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.621 -3.062 4.825 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.988 -2.713 4.255 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.473 -4.567 4.957 1.00 0.00 C ATOM 0 H LEU A 88 -12.084 -3.575 5.889 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.650 -1.432 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.948 -1.738 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.153 -3.300 3.285 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.533 -2.614 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.766 -3.120 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.093 -1.630 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.086 -3.139 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.267 -4.956 5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.541 -5.027 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.505 -4.800 5.400 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.077 0.366 5.005 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.521 1.529 5.764 1.00 0.00 C ATOM 1367 C VAL A 89 -14.624 2.276 5.019 1.00 0.00 C ATOM 1368 O VAL A 89 -14.704 2.220 3.791 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.352 2.497 6.042 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -12.800 3.652 6.923 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.186 1.761 6.683 1.00 0.00 C ATOM 0 H VAL A 89 -13.036 0.514 3.997 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.910 1.163 6.714 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.020 2.906 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.958 4.320 7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.598 4.202 6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.166 3.264 7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.372 2.462 6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.509 1.319 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.840 0.974 6.013 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.477 2.973 5.767 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.576 3.726 5.173 1.00 0.00 C ATOM 1383 C HIS A 90 -16.127 5.132 4.789 1.00 0.00 C ATOM 1384 O HIS A 90 -15.310 5.746 5.476 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.770 3.805 6.135 1.00 0.00 C ATOM 1386 CG HIS A 90 -17.903 2.617 7.047 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -17.703 2.681 8.411 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.225 1.326 6.780 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -17.895 1.485 8.942 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -18.214 0.646 7.973 1.00 0.00 N ATOM 0 H HIS A 90 -15.427 3.031 6.784 1.00 0.00 H new ATOM 0 HA HIS A 90 -16.888 3.199 4.271 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.676 4.706 6.741 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.686 3.907 5.553 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.449 0.910 5.809 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -17.806 1.237 9.989 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -18.419 -0.346 8.092 1.00 0.00 H new ATOM 1399 N GLY A 91 -16.667 5.633 3.685 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.312 6.960 3.220 1.00 0.00 C ATOM 1401 C GLY A 91 -17.511 7.884 3.140 1.00 0.00 C ATOM 1402 O GLY A 91 -17.558 8.778 2.296 1.00 0.00 O ATOM 0 H GLY A 91 -17.346 5.143 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.569 7.391 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.848 6.885 2.237 1.00 0.00 H new ATOM 1406 N MET A 92 -18.481 7.669 4.021 1.00 0.00 N ATOM 1407 CA MET A 92 -19.685 8.491 4.050 1.00 0.00 C ATOM 1408 C MET A 92 -19.348 9.973 4.217 1.00 0.00 C ATOM 1409 O MET A 92 -19.879 10.818 3.495 1.00 0.00 O ATOM 1410 CB MET A 92 -20.610 8.035 5.178 1.00 0.00 C ATOM 1411 CG MET A 92 -22.045 8.513 5.020 1.00 0.00 C ATOM 1412 SD MET A 92 -23.249 7.193 5.264 1.00 0.00 S ATOM 1413 CE MET A 92 -24.476 8.040 6.255 1.00 0.00 C ATOM 0 H MET A 92 -18.457 6.932 4.725 1.00 0.00 H new ATOM 0 HA MET A 92 -20.194 8.367 3.094 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.602 6.946 5.225 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.217 8.398 6.128 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.238 9.312 5.735 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.175 8.938 4.025 1.00 0.00 H new ATOM 0 HE1 MET A 92 -25.290 7.354 6.490 1.00 0.00 H new ATOM 0 HE2 MET A 92 -24.018 8.390 7.180 1.00 0.00 H new ATOM 0 HE3 MET A 92 -24.868 8.892 5.699 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.467 10.322 5.175 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.086 11.715 5.415 1.00 0.00 C ATOM 1425 C PRO A 93 -17.104 12.242 4.372 1.00 0.00 C ATOM 1426 O PRO A 93 -17.020 13.448 4.141 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.434 11.663 6.795 1.00 0.00 C ATOM 1428 CG PRO A 93 -16.849 10.297 6.877 1.00 0.00 C ATOM 1429 CD PRO A 93 -17.778 9.398 6.101 1.00 0.00 C ATOM 0 HA PRO A 93 -18.940 12.390 5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.667 12.431 6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.165 11.830 7.586 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.844 10.277 6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.766 9.970 7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.230 8.625 5.562 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.484 8.889 6.757 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.357 11.336 3.747 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.385 11.732 2.734 1.00 0.00 C ATOM 1439 C PHE A 94 -16.095 12.244 1.485 1.00 0.00 C ATOM 1440 O PHE A 94 -15.645 13.196 0.848 1.00 0.00 O ATOM 1441 CB PHE A 94 -14.476 10.548 2.370 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.038 10.933 2.147 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -12.704 12.224 1.775 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.019 10.004 2.314 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.388 12.585 1.572 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -10.697 10.361 2.112 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.383 11.653 1.741 1.00 0.00 C ATOM 0 H PHE A 94 -16.405 10.332 3.922 1.00 0.00 H new ATOM 0 HA PHE A 94 -14.772 12.534 3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.524 9.806 3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.859 10.072 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.484 12.959 1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.261 8.992 2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.144 13.596 1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.913 9.630 2.244 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.352 11.935 1.583 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.209 11.604 1.144 1.00 0.00 N ATOM 1458 CA VAL A 95 -17.994 11.987 -0.025 1.00 0.00 C ATOM 1459 C VAL A 95 -18.844 13.225 0.251 1.00 0.00 C ATOM 1460 O VAL A 95 -19.296 13.896 -0.677 1.00 0.00 O ATOM 1461 CB VAL A 95 -18.915 10.843 -0.493 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -19.427 11.118 -1.899 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -18.190 9.503 -0.433 1.00 0.00 C ATOM 0 H VAL A 95 -17.590 10.813 1.664 1.00 0.00 H new ATOM 0 HA VAL A 95 -17.277 12.213 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.770 10.792 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.076 10.302 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -19.989 12.052 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.583 11.198 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.860 8.711 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.313 9.534 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.877 9.304 0.592 1.00 0.00 H new ATOM 1473 N SER A 96 -19.063 13.522 1.530 1.00 0.00 N ATOM 1474 CA SER A 96 -19.864 14.678 1.919 1.00 0.00 C ATOM 1475 C SER A 96 -19.363 15.946 1.234 1.00 0.00 C ATOM 1476 O SER A 96 -20.152 16.810 0.850 1.00 0.00 O ATOM 1477 CB SER A 96 -19.832 14.862 3.439 1.00 0.00 C ATOM 1478 OG SER A 96 -20.884 14.146 4.069 1.00 0.00 O ATOM 0 H SER A 96 -18.698 12.979 2.312 1.00 0.00 H new ATOM 0 HA SER A 96 -20.891 14.496 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.873 14.520 3.828 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.915 15.922 3.681 1.00 0.00 H new ATOM 0 HG SER A 96 -20.837 14.281 5.039 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.046 16.053 1.089 1.00 0.00 N ATOM 1485 CA GLY A 97 -17.467 17.225 0.454 1.00 0.00 C ATOM 1486 C GLY A 97 -17.325 18.399 1.407 1.00 0.00 C ATOM 1487 O GLY A 97 -16.688 19.400 1.077 1.00 0.00 O ATOM 0 H GLY A 97 -17.371 15.353 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -16.487 16.968 0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.090 17.521 -0.390 1.00 0.00 H new ATOM 1491 N VAL A 98 -17.920 18.277 2.591 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.858 19.331 3.596 1.00 0.00 C ATOM 1493 C VAL A 98 -17.214 18.826 4.888 1.00 0.00 C ATOM 1494 O VAL A 98 -16.889 19.609 5.781 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.269 19.881 3.907 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -20.139 18.807 4.547 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -19.192 21.116 4.795 1.00 0.00 C ATOM 0 H VAL A 98 -18.452 17.455 2.877 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.244 20.133 3.186 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.730 20.175 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -21.127 19.217 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -20.234 17.962 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.679 18.473 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.199 21.482 4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -18.703 20.859 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -18.619 21.893 4.289 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.032 17.512 4.983 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.431 16.935 6.167 1.00 0.00 C ATOM 1509 C GLY A 99 -14.978 16.550 5.963 1.00 0.00 C ATOM 1510 O GLY A 99 -14.285 16.206 6.921 1.00 0.00 O ATOM 0 H GLY A 99 -17.290 16.839 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.501 17.648 6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.998 16.052 6.463 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.512 16.604 4.717 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.131 16.252 4.409 1.00 0.00 C ATOM 1516 C ILE A 100 -12.157 17.018 5.296 1.00 0.00 C ATOM 1517 O ILE A 100 -11.153 16.473 5.743 1.00 0.00 O ATOM 1518 CB ILE A 100 -12.788 16.520 2.929 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -13.639 15.637 2.018 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -11.307 16.273 2.669 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.025 16.307 0.721 1.00 0.00 C ATOM 0 H ILE A 100 -15.068 16.887 3.910 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.031 15.184 4.602 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.008 17.565 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.090 14.722 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.544 15.345 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.084 16.467 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.712 16.938 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.064 15.237 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.628 15.623 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.601 17.207 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.125 16.575 0.168 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.452 18.289 5.543 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.590 19.127 6.373 1.00 0.00 C ATOM 1535 C GLU A 101 -11.184 18.401 7.655 1.00 0.00 C ATOM 1536 O GLU A 101 -10.001 18.315 7.980 1.00 0.00 O ATOM 1537 CB GLU A 101 -12.298 20.440 6.713 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.439 21.672 6.475 1.00 0.00 C ATOM 1539 CD GLU A 101 -11.074 22.390 7.760 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -10.415 21.770 8.621 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -11.449 23.573 7.905 1.00 0.00 O ATOM 0 H GLU A 101 -13.280 18.763 5.182 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.685 19.346 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.206 20.519 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.605 20.418 7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.526 21.379 5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.972 22.360 5.818 1.00 0.00 H new ATOM 1548 N ALA A 102 -12.170 17.879 8.376 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.911 17.159 9.617 1.00 0.00 C ATOM 1550 C ALA A 102 -11.462 15.733 9.325 1.00 0.00 C ATOM 1551 O ALA A 102 -10.537 15.218 9.955 1.00 0.00 O ATOM 1552 CB ALA A 102 -13.155 17.160 10.493 1.00 0.00 C ATOM 0 H ALA A 102 -13.156 17.941 8.122 1.00 0.00 H new ATOM 0 HA ALA A 102 -11.108 17.665 10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.950 16.619 11.417 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.434 18.187 10.728 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.974 16.674 9.963 1.00 0.00 H new ATOM 1558 N LEU A 103 -12.124 15.100 8.362 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.797 13.733 7.978 1.00 0.00 C ATOM 1560 C LEU A 103 -10.334 13.621 7.552 1.00 0.00 C ATOM 1561 O LEU A 103 -9.601 12.764 8.041 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.715 13.271 6.840 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.597 11.792 6.474 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.203 10.923 7.564 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.263 11.514 5.135 1.00 0.00 C ATOM 0 H LEU A 103 -12.892 15.514 7.833 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.951 13.089 8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.748 13.479 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.498 13.867 5.954 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.539 11.545 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.110 9.873 7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.678 11.098 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.257 11.174 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.167 10.455 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.319 11.779 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.781 12.108 4.359 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.919 14.492 6.637 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.544 14.494 6.139 1.00 0.00 C ATOM 1579 C GLN A 104 -7.544 14.466 7.291 1.00 0.00 C ATOM 1580 O GLN A 104 -6.605 13.674 7.292 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.291 15.720 5.259 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.195 15.511 4.224 1.00 0.00 C ATOM 1583 CD GLN A 104 -7.162 16.607 3.179 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -6.316 17.502 3.227 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -8.086 16.547 2.228 1.00 0.00 N ATOM 0 H GLN A 104 -10.516 15.208 6.223 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.406 13.594 5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.216 15.987 4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.023 16.564 5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.229 15.465 4.727 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.344 14.550 3.732 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.768 15.788 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.114 17.260 1.499 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.752 15.339 8.268 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.868 15.414 9.425 1.00 0.00 C ATOM 1596 C ASN A 105 -6.760 14.059 10.115 1.00 0.00 C ATOM 1597 O ASN A 105 -5.663 13.540 10.318 1.00 0.00 O ATOM 1598 CB ASN A 105 -7.385 16.459 10.417 1.00 0.00 C ATOM 1599 CG ASN A 105 -6.989 17.869 10.034 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -6.380 18.093 8.989 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -7.335 18.832 10.882 1.00 0.00 N ATOM 0 H ASN A 105 -8.524 16.005 8.283 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.877 15.706 9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.471 16.394 10.475 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.998 16.234 11.411 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.096 19.802 10.677 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.840 18.601 11.738 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.907 13.496 10.481 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.945 12.206 11.163 1.00 0.00 C ATOM 1610 C LYS A 106 -7.421 11.076 10.279 1.00 0.00 C ATOM 1611 O LYS A 106 -6.599 10.279 10.720 1.00 0.00 O ATOM 1612 CB LYS A 106 -9.367 11.883 11.632 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.553 12.031 13.134 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.268 13.452 13.594 1.00 0.00 C ATOM 1615 CE LYS A 106 -10.413 14.010 14.424 1.00 0.00 C ATOM 1616 NZ LYS A 106 -9.929 14.949 15.473 1.00 0.00 N ATOM 0 H LYS A 106 -8.823 13.913 10.317 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.289 12.284 12.030 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.069 12.540 11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.615 10.862 11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.573 11.758 13.404 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.890 11.339 13.654 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.350 13.468 14.182 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.102 14.090 12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.117 14.526 13.771 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.956 13.189 14.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.739 15.308 16.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.276 14.450 16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.433 15.745 15.024 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.899 11.000 9.038 1.00 0.00 N ATOM 1631 CA ILE A 107 -7.462 9.945 8.125 1.00 0.00 C ATOM 1632 C ILE A 107 -5.969 10.043 7.847 1.00 0.00 C ATOM 1633 O ILE A 107 -5.297 9.030 7.667 1.00 0.00 O ATOM 1634 CB ILE A 107 -8.231 9.969 6.785 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -8.047 11.310 6.077 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -9.707 9.679 7.009 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -7.617 11.178 4.632 1.00 0.00 C ATOM 0 H ILE A 107 -8.581 11.648 8.645 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.679 9.002 8.626 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.821 9.188 6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.984 11.865 6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.304 11.897 6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.231 9.700 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.820 8.694 7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.130 10.434 7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.506 12.170 4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -6.664 10.651 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.371 10.618 4.078 1.00 0.00 H new ATOM 1649 N LEU A 108 -5.447 11.264 7.821 1.00 0.00 N ATOM 1650 CA LEU A 108 -4.030 11.468 7.569 1.00 0.00 C ATOM 1651 C LEU A 108 -3.197 10.904 8.713 1.00 0.00 C ATOM 1652 O LEU A 108 -2.229 10.179 8.490 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.728 12.959 7.384 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.622 13.425 5.929 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -3.526 14.942 5.861 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.422 12.781 5.248 1.00 0.00 C ATOM 0 H LEU A 108 -5.981 12.120 7.970 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.767 10.941 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.510 13.536 7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.792 13.190 7.892 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.523 13.114 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.451 15.256 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.416 15.383 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.642 15.275 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.363 13.124 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.510 13.061 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.533 11.697 5.265 1.00 0.00 H new ATOM 1668 N THR A 109 -3.581 11.243 9.938 1.00 0.00 N ATOM 1669 CA THR A 109 -2.868 10.771 11.119 1.00 0.00 C ATOM 1670 C THR A 109 -2.815 9.245 11.157 1.00 0.00 C ATOM 1671 O THR A 109 -1.776 8.662 11.464 1.00 0.00 O ATOM 1672 CB THR A 109 -3.526 11.308 12.392 1.00 0.00 C ATOM 1673 OG1 THR A 109 -4.574 12.207 12.077 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.559 12.035 13.305 1.00 0.00 C ATOM 0 H THR A 109 -4.381 11.842 10.139 1.00 0.00 H new ATOM 0 HA THR A 109 -1.846 11.146 11.065 1.00 0.00 H new ATOM 0 HB THR A 109 -3.904 10.428 12.913 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.247 12.883 11.447 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.090 12.390 14.188 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.764 11.354 13.609 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.127 12.884 12.775 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.938 8.601 10.846 1.00 0.00 N ATOM 1683 CA ILE A 110 -4.004 7.142 10.851 1.00 0.00 C ATOM 1684 C ILE A 110 -3.049 6.543 9.823 1.00 0.00 C ATOM 1685 O ILE A 110 -2.255 5.659 10.144 1.00 0.00 O ATOM 1686 CB ILE A 110 -5.431 6.624 10.571 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -6.449 7.328 11.472 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -5.497 5.117 10.774 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -6.147 7.201 12.948 1.00 0.00 C ATOM 0 H ILE A 110 -4.810 9.064 10.589 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.709 6.826 11.852 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.679 6.848 9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.485 8.385 11.207 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.439 6.917 11.276 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.509 4.767 10.573 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.801 4.627 10.092 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.227 4.876 11.802 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.911 7.725 13.522 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -6.140 6.148 13.229 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -5.171 7.639 13.159 1.00 0.00 H new ATOM 1701 N LEU A 111 -3.130 7.024 8.584 1.00 0.00 N ATOM 1702 CA LEU A 111 -2.268 6.524 7.515 1.00 0.00 C ATOM 1703 C LEU A 111 -0.796 6.663 7.891 1.00 0.00 C ATOM 1704 O LEU A 111 0.006 5.765 7.638 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.540 7.273 6.208 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.999 7.282 5.754 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -4.301 8.540 4.950 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -4.310 6.037 4.936 1.00 0.00 C ATOM 0 H LEU A 111 -3.780 7.755 8.296 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.494 5.467 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.206 8.304 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.934 6.827 5.420 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.635 7.280 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.344 8.529 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.118 9.419 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.657 8.573 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.353 6.060 4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.666 6.009 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.134 5.149 5.543 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.448 7.795 8.495 1.00 0.00 N ATOM 1721 CA GLN A 112 0.929 8.051 8.903 1.00 0.00 C ATOM 1722 C GLN A 112 1.260 7.328 10.206 1.00 0.00 C ATOM 1723 O GLN A 112 2.417 7.002 10.468 1.00 0.00 O ATOM 1724 CB GLN A 112 1.161 9.554 9.068 1.00 0.00 C ATOM 1725 CG GLN A 112 0.391 10.165 10.226 1.00 0.00 C ATOM 1726 CD GLN A 112 0.742 11.621 10.459 1.00 0.00 C ATOM 1727 OE1 GLN A 112 1.770 11.935 11.061 1.00 0.00 O ATOM 1728 NE2 GLN A 112 -0.112 12.519 9.983 1.00 0.00 N ATOM 0 H GLN A 112 -1.100 8.549 8.713 1.00 0.00 H new ATOM 0 HA GLN A 112 1.588 7.669 8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 112 2.226 9.735 9.215 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.876 10.060 8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.678 10.080 10.031 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.596 9.597 11.133 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.951 12.214 9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.071 13.514 10.110 1.00 0.00 H new ATOM 1737 N GLY A 113 0.238 7.084 11.022 1.00 0.00 N ATOM 1738 CA GLY A 113 0.446 6.404 12.288 1.00 0.00 C ATOM 1739 C GLY A 113 1.191 5.092 12.130 1.00 0.00 C ATOM 1740 O GLY A 113 0.530 4.057 11.907 1.00 0.00 O ATOM 1741 OXT GLY A 113 2.437 5.101 12.230 1.00 0.00 O ATOM 0 H GLY A 113 -0.729 7.345 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.005 7.056 12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -0.519 6.215 12.758 1.00 0.00 H new