USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=17 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 Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 0.739 (180deg=0.225) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0519 USER MOD Single : A 34 THR OG1 : rot -41:sc= 0.862 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0234) USER MOD Single : A 46 CYS SG : rot 58:sc= 0.155 USER MOD Single : A 47 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.079) USER MOD Single : A 48 SER OG : rot 78:sc= 0.275 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.0469 K(o=-0.047,f=-1.6!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 58 CYS SG : rot 154:sc= -0.0339 USER MOD Single : A 61 ASN : amide:sc= -0.46 K(o=-0.46,f=-1) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 66 TYR OH : rot -80:sc= -6.76! USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= -3.11 K(o=-3.1,f=-4) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0525 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.0919 X(o=-0.092,f=0.0039) 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 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.19) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -60:sc= -0.665 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.696 -1.508 -3.303 1.00 0.00 N ATOM 318 CA LYS A 21 3.623 -1.794 -1.880 1.00 0.00 C ATOM 319 C LYS A 21 2.177 -1.968 -1.441 1.00 0.00 C ATOM 320 O LYS A 21 1.707 -3.088 -1.232 1.00 0.00 O ATOM 321 CB LYS A 21 4.274 -0.665 -1.078 1.00 0.00 C ATOM 322 CG LYS A 21 5.788 -0.764 -0.996 1.00 0.00 C ATOM 323 CD LYS A 21 6.275 -0.615 0.436 1.00 0.00 C ATOM 324 CE LYS A 21 5.987 -1.862 1.255 1.00 0.00 C ATOM 325 NZ LYS A 21 6.830 -1.931 2.480 1.00 0.00 N ATOM 0 HA LYS A 21 4.161 -2.723 -1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.006 0.290 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.864 -0.666 -0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.114 -1.725 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.239 0.009 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.347 -0.417 0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.791 0.245 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.934 -1.875 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.163 -2.747 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.602 -2.796 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.834 -1.945 2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.643 -1.100 3.077 1.00 0.00 H new ATOM 339 N ARG A 22 1.479 -0.850 -1.304 1.00 0.00 N ATOM 340 CA ARG A 22 0.087 -0.864 -0.889 1.00 0.00 C ATOM 341 C ARG A 22 -0.832 -0.559 -2.061 1.00 0.00 C ATOM 342 O ARG A 22 -0.462 0.169 -2.981 1.00 0.00 O ATOM 343 CB ARG A 22 -0.138 0.163 0.220 1.00 0.00 C ATOM 344 CG ARG A 22 0.183 1.588 -0.205 1.00 0.00 C ATOM 345 CD ARG A 22 1.397 2.137 0.528 1.00 0.00 C ATOM 346 NE ARG A 22 1.390 1.789 1.947 1.00 0.00 N ATOM 347 CZ ARG A 22 0.496 2.244 2.816 1.00 0.00 C ATOM 348 NH1 ARG A 22 -0.480 3.050 2.416 1.00 0.00 N ATOM 349 NH2 ARG A 22 0.573 1.893 4.091 1.00 0.00 N ATOM 0 H ARG A 22 1.858 0.082 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.146 -1.861 -0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.177 0.114 0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.478 -0.100 1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.365 1.614 -1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.678 2.228 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.305 1.749 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.423 3.222 0.422 1.00 0.00 H new ATOM 0 HE ARG A 22 2.115 1.159 2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.546 3.323 1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.164 3.396 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.320 1.273 4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.114 2.243 4.759 1.00 0.00 H new ATOM 363 N LYS A 23 -2.028 -1.129 -2.028 1.00 0.00 N ATOM 364 CA LYS A 23 -3.002 -0.920 -3.086 1.00 0.00 C ATOM 365 C LYS A 23 -4.379 -0.625 -2.497 1.00 0.00 C ATOM 366 O LYS A 23 -4.983 -1.487 -1.869 1.00 0.00 O ATOM 367 CB LYS A 23 -3.071 -2.157 -3.988 1.00 0.00 C ATOM 368 CG LYS A 23 -3.142 -1.828 -5.472 1.00 0.00 C ATOM 369 CD LYS A 23 -3.898 -2.897 -6.249 1.00 0.00 C ATOM 370 CE LYS A 23 -2.996 -3.614 -7.242 1.00 0.00 C ATOM 371 NZ LYS A 23 -2.880 -2.865 -8.524 1.00 0.00 N ATOM 0 H LYS A 23 -2.346 -1.741 -1.277 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.689 -0.062 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.195 -2.779 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.945 -2.748 -3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.632 -0.864 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.133 -1.732 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.322 -3.621 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.733 -2.439 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.006 -3.743 -6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.391 -4.611 -7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.776 -3.537 -9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.735 -2.292 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.048 -2.242 -8.488 1.00 0.00 H new ATOM 385 N ILE A 24 -4.873 0.592 -2.702 1.00 0.00 N ATOM 386 CA ILE A 24 -6.185 0.975 -2.189 1.00 0.00 C ATOM 387 C ILE A 24 -7.236 0.843 -3.287 1.00 0.00 C ATOM 388 O ILE A 24 -6.949 1.085 -4.458 1.00 0.00 O ATOM 389 CB ILE A 24 -6.191 2.418 -1.645 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.036 2.627 -0.662 1.00 0.00 C ATOM 391 CG2 ILE A 24 -7.525 2.736 -0.980 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.462 4.027 -0.699 1.00 0.00 C ATOM 0 H ILE A 24 -4.388 1.327 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.421 0.302 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.056 3.101 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.385 2.412 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.245 1.912 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.509 3.759 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.329 2.631 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.692 2.047 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.648 4.106 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.083 4.239 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.241 4.746 -0.446 1.00 0.00 H new ATOM 404 N ILE A 25 -8.447 0.455 -2.905 1.00 0.00 N ATOM 405 CA ILE A 25 -9.545 0.277 -3.850 1.00 0.00 C ATOM 406 C ILE A 25 -10.787 1.018 -3.353 1.00 0.00 C ATOM 407 O ILE A 25 -11.031 1.089 -2.148 1.00 0.00 O ATOM 408 CB ILE A 25 -9.857 -1.226 -4.036 1.00 0.00 C ATOM 409 CG1 ILE A 25 -11.253 -1.462 -4.612 1.00 0.00 C ATOM 410 CG2 ILE A 25 -9.729 -1.937 -2.708 1.00 0.00 C ATOM 411 CD1 ILE A 25 -11.463 -0.890 -5.991 1.00 0.00 C ATOM 0 H ILE A 25 -8.696 0.255 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.249 0.691 -4.814 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.137 -1.625 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.443 -2.535 -4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.990 -1.028 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.949 -2.996 -2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.713 -1.822 -2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.432 -1.506 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.479 -1.103 -6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.309 0.189 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.753 -1.341 -6.684 1.00 0.00 H new ATOM 423 N VAL A 26 -11.573 1.560 -4.279 1.00 0.00 N ATOM 424 CA VAL A 26 -12.788 2.281 -3.923 1.00 0.00 C ATOM 425 C VAL A 26 -13.994 1.695 -4.654 1.00 0.00 C ATOM 426 O VAL A 26 -13.983 1.555 -5.877 1.00 0.00 O ATOM 427 CB VAL A 26 -12.671 3.780 -4.264 1.00 0.00 C ATOM 428 CG1 VAL A 26 -11.669 4.462 -3.348 1.00 0.00 C ATOM 429 CG2 VAL A 26 -12.278 3.971 -5.723 1.00 0.00 C ATOM 0 H VAL A 26 -11.389 1.513 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.925 2.174 -2.847 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.646 4.241 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.601 5.519 -3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.995 4.361 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.691 3.996 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.201 5.036 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.316 3.492 -5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.035 3.522 -6.366 1.00 0.00 H new ATOM 439 N ALA A 27 -15.029 1.345 -3.900 1.00 0.00 N ATOM 440 CA ALA A 27 -16.232 0.767 -4.487 1.00 0.00 C ATOM 441 C ALA A 27 -17.421 1.715 -4.384 1.00 0.00 C ATOM 442 O ALA A 27 -17.784 2.162 -3.296 1.00 0.00 O ATOM 443 CB ALA A 27 -16.545 -0.570 -3.834 1.00 0.00 C ATOM 0 H ALA A 27 -15.060 1.450 -2.886 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.042 0.603 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.445 -0.991 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.710 -1.254 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.704 -0.425 -2.766 1.00 0.00 H new ATOM 449 N CYS A 28 -18.018 2.017 -5.532 1.00 0.00 N ATOM 450 CA CYS A 28 -19.164 2.917 -5.592 1.00 0.00 C ATOM 451 C CYS A 28 -20.409 2.271 -4.990 1.00 0.00 C ATOM 452 O CYS A 28 -20.802 1.171 -5.379 1.00 0.00 O ATOM 453 CB CYS A 28 -19.443 3.324 -7.040 1.00 0.00 C ATOM 454 SG CYS A 28 -17.961 3.720 -7.999 1.00 0.00 S ATOM 0 H CYS A 28 -17.725 1.650 -6.437 1.00 0.00 H new ATOM 0 HA CYS A 28 -18.921 3.804 -5.007 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -19.977 2.514 -7.536 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -20.105 4.190 -7.041 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.303 4.050 -9.209 1.00 0.00 H new ATOM 510 N THR A 34 -19.110 10.998 -7.925 1.00 0.00 N ATOM 511 CA THR A 34 -17.854 11.174 -7.203 1.00 0.00 C ATOM 512 C THR A 34 -16.793 10.210 -7.718 1.00 0.00 C ATOM 513 O THR A 34 -15.963 9.717 -6.953 1.00 0.00 O ATOM 514 CB THR A 34 -18.070 10.963 -5.702 1.00 0.00 C ATOM 515 OG1 THR A 34 -16.876 11.217 -4.979 1.00 0.00 O ATOM 516 CG2 THR A 34 -18.538 9.565 -5.356 1.00 0.00 C ATOM 0 HA THR A 34 -17.505 12.193 -7.372 1.00 0.00 H new ATOM 0 HB THR A 34 -18.853 11.668 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.113 10.840 -5.465 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.672 9.483 -4.277 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.486 9.365 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.794 8.840 -5.686 1.00 0.00 H new ATOM 524 N SER A 35 -16.822 9.946 -9.021 1.00 0.00 N ATOM 525 CA SER A 35 -15.860 9.042 -9.637 1.00 0.00 C ATOM 526 C SER A 35 -14.501 9.718 -9.788 1.00 0.00 C ATOM 527 O SER A 35 -13.494 9.233 -9.270 1.00 0.00 O ATOM 528 CB SER A 35 -16.366 8.577 -11.002 1.00 0.00 C ATOM 529 OG SER A 35 -17.735 8.216 -10.944 1.00 0.00 O ATOM 0 H SER A 35 -17.501 10.345 -9.669 1.00 0.00 H new ATOM 0 HA SER A 35 -15.745 8.175 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.227 9.372 -11.735 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.776 7.725 -11.341 1.00 0.00 H new ATOM 0 HG SER A 35 -18.034 7.924 -11.830 1.00 0.00 H new ATOM 535 N THR A 36 -14.480 10.841 -10.499 1.00 0.00 N ATOM 536 CA THR A 36 -13.246 11.586 -10.714 1.00 0.00 C ATOM 537 C THR A 36 -12.784 12.254 -9.425 1.00 0.00 C ATOM 538 O THR A 36 -11.587 12.346 -9.154 1.00 0.00 O ATOM 539 CB THR A 36 -13.442 12.640 -11.808 1.00 0.00 C ATOM 540 OG1 THR A 36 -14.824 12.872 -12.039 1.00 0.00 O ATOM 541 CG2 THR A 36 -12.796 12.260 -13.126 1.00 0.00 C ATOM 0 H THR A 36 -15.304 11.254 -10.936 1.00 0.00 H new ATOM 0 HA THR A 36 -12.478 10.882 -11.034 1.00 0.00 H new ATOM 0 HB THR A 36 -12.954 13.542 -11.438 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.929 13.549 -12.740 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.972 13.048 -13.858 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.723 12.131 -12.982 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.228 11.327 -13.487 1.00 0.00 H new ATOM 549 N MET A 37 -13.743 12.724 -8.631 1.00 0.00 N ATOM 550 CA MET A 37 -13.430 13.388 -7.372 1.00 0.00 C ATOM 551 C MET A 37 -12.678 12.450 -6.434 1.00 0.00 C ATOM 552 O MET A 37 -11.592 12.777 -5.965 1.00 0.00 O ATOM 553 CB MET A 37 -14.710 13.886 -6.697 1.00 0.00 C ATOM 554 CG MET A 37 -14.937 15.381 -6.859 1.00 0.00 C ATOM 555 SD MET A 37 -15.228 16.216 -5.287 1.00 0.00 S ATOM 556 CE MET A 37 -16.882 15.646 -4.902 1.00 0.00 C ATOM 0 H MET A 37 -14.740 12.657 -8.838 1.00 0.00 H new ATOM 0 HA MET A 37 -12.790 14.243 -7.593 1.00 0.00 H new ATOM 0 HB2 MET A 37 -15.563 13.350 -7.112 1.00 0.00 H new ATOM 0 HB3 MET A 37 -14.669 13.645 -5.635 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.069 15.825 -7.346 1.00 0.00 H new ATOM 0 HG3 MET A 37 -15.791 15.545 -7.516 1.00 0.00 H new ATOM 0 HE1 MET A 37 -17.204 16.078 -3.954 1.00 0.00 H new ATOM 0 HE2 MET A 37 -17.566 15.954 -5.692 1.00 0.00 H new ATOM 0 HE3 MET A 37 -16.883 14.559 -4.825 1.00 0.00 H new ATOM 566 N ALA A 38 -13.256 11.280 -6.174 1.00 0.00 N ATOM 567 CA ALA A 38 -12.628 10.300 -5.296 1.00 0.00 C ATOM 568 C ALA A 38 -11.274 9.873 -5.842 1.00 0.00 C ATOM 569 O ALA A 38 -10.275 9.868 -5.122 1.00 0.00 O ATOM 570 CB ALA A 38 -13.534 9.091 -5.119 1.00 0.00 C ATOM 0 H ALA A 38 -14.155 10.989 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.471 10.765 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.052 8.368 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.480 9.407 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.720 8.631 -6.089 1.00 0.00 H new ATOM 576 N ALA A 39 -11.247 9.523 -7.121 1.00 0.00 N ATOM 577 CA ALA A 39 -10.015 9.103 -7.770 1.00 0.00 C ATOM 578 C ALA A 39 -8.943 10.180 -7.653 1.00 0.00 C ATOM 579 O ALA A 39 -7.836 9.918 -7.191 1.00 0.00 O ATOM 580 CB ALA A 39 -10.276 8.774 -9.233 1.00 0.00 C ATOM 0 H ALA A 39 -12.066 9.522 -7.729 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.653 8.207 -7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.346 8.461 -9.707 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.007 7.968 -9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.663 9.657 -9.741 1.00 0.00 H new ATOM 586 N GLU A 40 -9.278 11.394 -8.077 1.00 0.00 N ATOM 587 CA GLU A 40 -8.335 12.505 -8.025 1.00 0.00 C ATOM 588 C GLU A 40 -8.001 12.897 -6.585 1.00 0.00 C ATOM 589 O GLU A 40 -6.840 13.148 -6.262 1.00 0.00 O ATOM 590 CB GLU A 40 -8.891 13.711 -8.784 1.00 0.00 C ATOM 591 CG GLU A 40 -7.838 14.759 -9.115 1.00 0.00 C ATOM 592 CD GLU A 40 -6.798 14.255 -10.098 1.00 0.00 C ATOM 593 OE1 GLU A 40 -7.148 13.421 -10.958 1.00 0.00 O ATOM 594 OE2 GLU A 40 -5.634 14.698 -10.008 1.00 0.00 O ATOM 0 H GLU A 40 -10.193 11.633 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.412 12.175 -8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.353 13.366 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.678 14.174 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.327 15.641 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.342 15.072 -8.196 1.00 0.00 H new ATOM 601 N GLU A 41 -9.015 12.957 -5.721 1.00 0.00 N ATOM 602 CA GLU A 41 -8.794 13.330 -4.322 1.00 0.00 C ATOM 603 C GLU A 41 -7.782 12.398 -3.664 1.00 0.00 C ATOM 604 O GLU A 41 -6.780 12.845 -3.106 1.00 0.00 O ATOM 605 CB GLU A 41 -10.111 13.296 -3.533 1.00 0.00 C ATOM 606 CG GLU A 41 -10.577 14.664 -3.060 1.00 0.00 C ATOM 607 CD GLU A 41 -11.927 15.053 -3.633 1.00 0.00 C ATOM 608 OE1 GLU A 41 -12.925 14.370 -3.320 1.00 0.00 O ATOM 609 OE2 GLU A 41 -11.986 16.040 -4.397 1.00 0.00 O ATOM 0 H GLU A 41 -9.986 12.755 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.399 14.346 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.887 12.854 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.989 12.645 -2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.634 14.667 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.837 15.413 -3.343 1.00 0.00 H new ATOM 616 N ILE A 42 -8.057 11.102 -3.726 1.00 0.00 N ATOM 617 CA ILE A 42 -7.175 10.107 -3.129 1.00 0.00 C ATOM 618 C ILE A 42 -5.854 10.019 -3.886 1.00 0.00 C ATOM 619 O ILE A 42 -4.793 9.860 -3.283 1.00 0.00 O ATOM 620 CB ILE A 42 -7.836 8.715 -3.094 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.240 8.804 -2.490 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.978 7.737 -2.305 1.00 0.00 C ATOM 623 CD1 ILE A 42 -10.194 7.758 -3.021 1.00 0.00 C ATOM 0 H ILE A 42 -8.883 10.715 -4.183 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.981 10.429 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.923 8.349 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.168 8.702 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.651 9.794 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.460 6.760 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.998 7.652 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.860 8.098 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.169 7.882 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.296 7.873 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.806 6.764 -2.797 1.00 0.00 H new ATOM 635 N LYS A 43 -5.924 10.127 -5.210 1.00 0.00 N ATOM 636 CA LYS A 43 -4.729 10.062 -6.043 1.00 0.00 C ATOM 637 C LYS A 43 -3.749 11.169 -5.672 1.00 0.00 C ATOM 638 O LYS A 43 -2.590 10.901 -5.356 1.00 0.00 O ATOM 639 CB LYS A 43 -5.095 10.161 -7.525 1.00 0.00 C ATOM 640 CG LYS A 43 -3.947 9.815 -8.458 1.00 0.00 C ATOM 641 CD LYS A 43 -3.960 8.339 -8.829 1.00 0.00 C ATOM 642 CE LYS A 43 -2.670 7.647 -8.420 1.00 0.00 C ATOM 643 NZ LYS A 43 -2.922 6.302 -7.830 1.00 0.00 N ATOM 0 H LYS A 43 -6.793 10.260 -5.727 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.250 9.099 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.932 9.494 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.435 11.174 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.016 10.420 -9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.000 10.063 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.805 7.849 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.104 8.235 -9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.021 7.546 -9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.139 8.267 -7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.015 5.830 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.448 6.407 -6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.479 5.730 -8.496 1.00 0.00 H new ATOM 657 N GLU A 44 -4.217 12.412 -5.715 1.00 0.00 N ATOM 658 CA GLU A 44 -3.371 13.552 -5.382 1.00 0.00 C ATOM 659 C GLU A 44 -2.830 13.428 -3.959 1.00 0.00 C ATOM 660 O GLU A 44 -1.716 13.864 -3.671 1.00 0.00 O ATOM 661 CB GLU A 44 -4.145 14.864 -5.553 1.00 0.00 C ATOM 662 CG GLU A 44 -5.216 15.091 -4.499 1.00 0.00 C ATOM 663 CD GLU A 44 -4.887 16.242 -3.569 1.00 0.00 C ATOM 664 OE1 GLU A 44 -3.697 16.409 -3.228 1.00 0.00 O ATOM 665 OE2 GLU A 44 -5.819 16.976 -3.180 1.00 0.00 O ATOM 0 H GLU A 44 -5.173 12.655 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.524 13.560 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.441 15.696 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.611 14.873 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.168 15.288 -4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.342 14.181 -3.913 1.00 0.00 H new ATOM 672 N LEU A 45 -3.626 12.836 -3.071 1.00 0.00 N ATOM 673 CA LEU A 45 -3.223 12.660 -1.678 1.00 0.00 C ATOM 674 C LEU A 45 -2.020 11.727 -1.571 1.00 0.00 C ATOM 675 O LEU A 45 -0.977 12.100 -1.037 1.00 0.00 O ATOM 676 CB LEU A 45 -4.391 12.107 -0.856 1.00 0.00 C ATOM 677 CG LEU A 45 -4.538 12.705 0.544 1.00 0.00 C ATOM 678 CD1 LEU A 45 -5.198 14.074 0.473 1.00 0.00 C ATOM 679 CD2 LEU A 45 -5.336 11.769 1.443 1.00 0.00 C ATOM 0 H LEU A 45 -4.553 12.471 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.937 13.634 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.316 12.278 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.271 11.028 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.544 12.827 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.294 14.484 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.587 14.742 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.187 13.978 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.431 12.210 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.328 11.615 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.821 10.811 1.520 1.00 0.00 H new ATOM 691 N CYS A 46 -2.176 10.509 -2.077 1.00 0.00 N ATOM 692 CA CYS A 46 -1.103 9.521 -2.033 1.00 0.00 C ATOM 693 C CYS A 46 0.183 10.083 -2.632 1.00 0.00 C ATOM 694 O CYS A 46 1.279 9.829 -2.131 1.00 0.00 O ATOM 695 CB CYS A 46 -1.518 8.258 -2.783 1.00 0.00 C ATOM 696 SG CYS A 46 -3.108 7.579 -2.255 1.00 0.00 S ATOM 0 H CYS A 46 -3.033 10.182 -2.522 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.915 9.272 -0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.565 8.480 -3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.748 7.499 -2.649 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.036 8.476 -2.411 1.00 0.00 H new ATOM 702 N GLN A 47 0.039 10.849 -3.707 1.00 0.00 N ATOM 703 CA GLN A 47 1.182 11.454 -4.381 1.00 0.00 C ATOM 704 C GLN A 47 1.685 12.672 -3.611 1.00 0.00 C ATOM 705 O GLN A 47 2.869 13.004 -3.655 1.00 0.00 O ATOM 706 CB GLN A 47 0.795 11.860 -5.803 1.00 0.00 C ATOM 707 CG GLN A 47 1.938 11.769 -6.801 1.00 0.00 C ATOM 708 CD GLN A 47 2.777 13.031 -6.846 1.00 0.00 C ATOM 709 OE1 GLN A 47 4.004 12.976 -6.771 1.00 0.00 O ATOM 710 NE2 GLN A 47 2.118 14.178 -6.972 1.00 0.00 N ATOM 0 H GLN A 47 -0.862 11.067 -4.132 1.00 0.00 H new ATOM 0 HA GLN A 47 1.985 10.718 -4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.022 11.224 -6.142 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.418 12.883 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.575 10.923 -6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.533 11.571 -7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.100 14.177 -7.031 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.630 15.059 -7.010 1.00 0.00 H new ATOM 719 N SER A 48 0.771 13.336 -2.910 1.00 0.00 N ATOM 720 CA SER A 48 1.116 14.521 -2.131 1.00 0.00 C ATOM 721 C SER A 48 2.233 14.213 -1.136 1.00 0.00 C ATOM 722 O SER A 48 3.187 14.980 -1.005 1.00 0.00 O ATOM 723 CB SER A 48 -0.114 15.052 -1.392 1.00 0.00 C ATOM 724 OG SER A 48 -0.719 16.117 -2.106 1.00 0.00 O ATOM 0 H SER A 48 -0.214 13.074 -2.865 1.00 0.00 H new ATOM 0 HA SER A 48 1.471 15.287 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.835 14.246 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.175 15.394 -0.398 1.00 0.00 H new ATOM 0 HG SER A 48 -1.243 15.755 -2.851 1.00 0.00 H new ATOM 730 N HIS A 49 2.113 13.084 -0.442 1.00 0.00 N ATOM 731 CA HIS A 49 3.118 12.679 0.536 1.00 0.00 C ATOM 732 C HIS A 49 4.071 11.638 -0.046 1.00 0.00 C ATOM 733 O HIS A 49 4.814 10.987 0.689 1.00 0.00 O ATOM 734 CB HIS A 49 2.444 12.114 1.789 1.00 0.00 C ATOM 735 CG HIS A 49 1.473 13.058 2.425 1.00 0.00 C ATOM 736 ND1 HIS A 49 0.126 13.062 2.134 1.00 0.00 N ATOM 737 CD2 HIS A 49 1.659 14.035 3.345 1.00 0.00 C ATOM 738 CE1 HIS A 49 -0.476 13.999 2.842 1.00 0.00 C ATOM 739 NE2 HIS A 49 0.432 14.605 3.587 1.00 0.00 N ATOM 0 H HIS A 49 1.332 12.435 -0.539 1.00 0.00 H new ATOM 0 HA HIS A 49 3.695 13.564 0.802 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.924 11.193 1.527 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.212 11.851 2.517 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.597 14.314 3.803 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.530 14.231 2.817 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.252 15.371 4.236 1.00 0.00 H new ATOM 748 N ASN A 50 4.047 11.479 -1.368 1.00 0.00 N ATOM 749 CA ASN A 50 4.911 10.511 -2.036 1.00 0.00 C ATOM 750 C ASN A 50 4.747 9.123 -1.424 1.00 0.00 C ATOM 751 O ASN A 50 5.729 8.464 -1.089 1.00 0.00 O ATOM 752 CB ASN A 50 6.374 10.949 -1.947 1.00 0.00 C ATOM 753 CG ASN A 50 6.665 12.173 -2.792 1.00 0.00 C ATOM 754 OD1 ASN A 50 5.756 12.912 -3.171 1.00 0.00 O ATOM 755 ND2 ASN A 50 7.940 12.392 -3.093 1.00 0.00 N ATOM 0 H ASN A 50 3.440 12.007 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 50 4.617 10.465 -3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.624 11.161 -0.907 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.016 10.129 -2.268 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.199 13.199 -3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.660 11.753 -2.757 1.00 0.00 H new ATOM 762 N ILE A 51 3.498 8.690 -1.280 1.00 0.00 N ATOM 763 CA ILE A 51 3.203 7.380 -0.710 1.00 0.00 C ATOM 764 C ILE A 51 2.966 6.351 -1.813 1.00 0.00 C ATOM 765 O ILE A 51 1.896 6.323 -2.420 1.00 0.00 O ATOM 766 CB ILE A 51 1.957 7.434 0.199 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.103 8.541 1.243 1.00 0.00 C ATOM 768 CG2 ILE A 51 1.728 6.089 0.877 1.00 0.00 C ATOM 769 CD1 ILE A 51 0.832 8.811 2.020 1.00 0.00 C ATOM 0 H ILE A 51 2.674 9.227 -1.550 1.00 0.00 H new ATOM 0 HA ILE A 51 4.067 7.086 -0.114 1.00 0.00 H new ATOM 0 HB ILE A 51 1.090 7.657 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.895 8.269 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.417 9.459 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.845 6.148 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.578 5.320 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.597 5.835 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.009 9.608 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.043 9.114 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.528 7.906 2.546 1.00 0.00 H new ATOM 781 N PRO A 52 3.959 5.487 -2.095 1.00 0.00 N ATOM 782 CA PRO A 52 3.832 4.462 -3.134 1.00 0.00 C ATOM 783 C PRO A 52 2.592 3.599 -2.933 1.00 0.00 C ATOM 784 O PRO A 52 2.533 2.781 -2.016 1.00 0.00 O ATOM 785 CB PRO A 52 5.100 3.624 -2.973 1.00 0.00 C ATOM 786 CG PRO A 52 6.080 4.545 -2.334 1.00 0.00 C ATOM 787 CD PRO A 52 5.276 5.437 -1.432 1.00 0.00 C ATOM 0 HA PRO A 52 3.724 4.897 -4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.919 2.746 -2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.463 3.265 -3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.828 3.989 -1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.615 5.127 -3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.204 5.030 -0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.721 6.428 -1.345 1.00 0.00 H new ATOM 795 N VAL A 53 1.602 3.798 -3.793 1.00 0.00 N ATOM 796 CA VAL A 53 0.356 3.050 -3.713 1.00 0.00 C ATOM 797 C VAL A 53 -0.384 3.088 -5.046 1.00 0.00 C ATOM 798 O VAL A 53 -0.125 3.953 -5.883 1.00 0.00 O ATOM 799 CB VAL A 53 -0.556 3.617 -2.605 1.00 0.00 C ATOM 800 CG1 VAL A 53 -0.892 5.070 -2.884 1.00 0.00 C ATOM 801 CG2 VAL A 53 -1.828 2.797 -2.464 1.00 0.00 C ATOM 0 H VAL A 53 1.639 4.474 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 53 0.607 2.017 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.012 3.558 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.536 5.453 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.027 5.656 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.409 5.147 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.449 3.222 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.377 2.812 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.572 1.769 -2.209 1.00 0.00 H new ATOM 811 N GLU A 54 -1.309 2.154 -5.236 1.00 0.00 N ATOM 812 CA GLU A 54 -2.090 2.095 -6.468 1.00 0.00 C ATOM 813 C GLU A 54 -3.583 2.170 -6.163 1.00 0.00 C ATOM 814 O GLU A 54 -4.126 1.305 -5.475 1.00 0.00 O ATOM 815 CB GLU A 54 -1.790 0.806 -7.248 1.00 0.00 C ATOM 816 CG GLU A 54 -0.430 0.193 -6.949 1.00 0.00 C ATOM 817 CD GLU A 54 0.142 -0.565 -8.133 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.650 -1.015 -8.988 1.00 0.00 O ATOM 819 OE2 GLU A 54 1.380 -0.708 -8.205 1.00 0.00 O ATOM 0 H GLU A 54 -1.537 1.429 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.806 2.951 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.563 0.071 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.853 1.019 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.264 0.982 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.519 -0.483 -6.099 1.00 0.00 H new ATOM 826 N LEU A 55 -4.246 3.205 -6.676 1.00 0.00 N ATOM 827 CA LEU A 55 -5.677 3.368 -6.448 1.00 0.00 C ATOM 828 C LEU A 55 -6.482 2.598 -7.484 1.00 0.00 C ATOM 829 O LEU A 55 -6.464 2.915 -8.673 1.00 0.00 O ATOM 830 CB LEU A 55 -6.082 4.841 -6.464 1.00 0.00 C ATOM 831 CG LEU A 55 -7.260 5.181 -5.547 1.00 0.00 C ATOM 832 CD1 LEU A 55 -6.824 5.141 -4.093 1.00 0.00 C ATOM 833 CD2 LEU A 55 -7.844 6.541 -5.897 1.00 0.00 C ATOM 0 H LEU A 55 -3.819 3.935 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.895 2.964 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.223 5.445 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.338 5.124 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.039 4.433 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.671 5.385 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.460 4.143 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.027 5.867 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.679 6.760 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.077 7.307 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.195 6.532 -6.929 1.00 0.00 H new ATOM 845 N ILE A 56 -7.184 1.584 -7.011 1.00 0.00 N ATOM 846 CA ILE A 56 -8.008 0.738 -7.863 1.00 0.00 C ATOM 847 C ILE A 56 -9.485 1.068 -7.689 1.00 0.00 C ATOM 848 O ILE A 56 -9.903 1.520 -6.625 1.00 0.00 O ATOM 849 CB ILE A 56 -7.788 -0.766 -7.581 1.00 0.00 C ATOM 850 CG1 ILE A 56 -7.198 -0.984 -6.181 1.00 0.00 C ATOM 851 CG2 ILE A 56 -6.889 -1.380 -8.642 1.00 0.00 C ATOM 852 CD1 ILE A 56 -6.936 -2.437 -5.843 1.00 0.00 C ATOM 0 H ILE A 56 -7.201 1.322 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.704 0.942 -8.890 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.758 -1.263 -7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.263 -0.429 -6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.881 -0.567 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.745 -2.439 -8.428 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.353 -1.268 -9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.924 -0.874 -8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.520 -2.507 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.871 -2.995 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.228 -2.855 -6.559 1.00 0.00 H new ATOM 864 N GLN A 57 -10.274 0.840 -8.734 1.00 0.00 N ATOM 865 CA GLN A 57 -11.708 1.101 -8.681 1.00 0.00 C ATOM 866 C GLN A 57 -12.484 -0.156 -9.080 1.00 0.00 C ATOM 867 O GLN A 57 -12.182 -0.782 -10.095 1.00 0.00 O ATOM 868 CB GLN A 57 -12.076 2.268 -9.597 1.00 0.00 C ATOM 869 CG GLN A 57 -13.559 2.598 -9.589 1.00 0.00 C ATOM 870 CD GLN A 57 -14.215 2.370 -10.935 1.00 0.00 C ATOM 871 OE1 GLN A 57 -13.740 2.858 -11.961 1.00 0.00 O ATOM 872 NE2 GLN A 57 -15.314 1.624 -10.937 1.00 0.00 N ATOM 0 H GLN A 57 -9.945 0.475 -9.628 1.00 0.00 H new ATOM 0 HA GLN A 57 -11.976 1.371 -7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.513 3.151 -9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.770 2.031 -10.616 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.059 1.987 -8.837 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.694 3.639 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.671 1.240 -10.062 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.800 1.435 -11.813 1.00 0.00 H new ATOM 881 N CYS A 58 -13.471 -0.528 -8.270 1.00 0.00 N ATOM 882 CA CYS A 58 -14.276 -1.722 -8.532 1.00 0.00 C ATOM 883 C CYS A 58 -15.661 -1.586 -7.909 1.00 0.00 C ATOM 884 O CYS A 58 -15.906 -0.673 -7.126 1.00 0.00 O ATOM 885 CB CYS A 58 -13.574 -2.971 -7.995 1.00 0.00 C ATOM 886 SG CYS A 58 -12.999 -4.096 -9.288 1.00 0.00 S ATOM 0 H CYS A 58 -13.735 -0.021 -7.425 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.391 -1.824 -9.611 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -12.722 -2.665 -7.387 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.259 -3.507 -7.338 1.00 0.00 H new ATOM 0 HG CYS A 58 -11.996 -4.793 -8.842 1.00 0.00 H new ATOM 892 N ARG A 59 -16.573 -2.488 -8.260 1.00 0.00 N ATOM 893 CA ARG A 59 -17.930 -2.444 -7.728 1.00 0.00 C ATOM 894 C ARG A 59 -17.984 -2.970 -6.294 1.00 0.00 C ATOM 895 O ARG A 59 -16.959 -3.105 -5.627 1.00 0.00 O ATOM 896 CB ARG A 59 -18.872 -3.262 -8.619 1.00 0.00 C ATOM 897 CG ARG A 59 -20.211 -2.584 -8.871 1.00 0.00 C ATOM 898 CD ARG A 59 -21.375 -3.417 -8.354 1.00 0.00 C ATOM 899 NE ARG A 59 -22.457 -3.523 -9.332 1.00 0.00 N ATOM 900 CZ ARG A 59 -23.751 -3.597 -9.010 1.00 0.00 C ATOM 901 NH1 ARG A 59 -24.131 -3.570 -7.738 1.00 0.00 N ATOM 902 NH2 ARG A 59 -24.668 -3.702 -9.963 1.00 0.00 N ATOM 0 H ARG A 59 -16.397 -3.256 -8.908 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.252 -1.403 -7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.383 -3.450 -9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.047 -4.232 -8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.220 -1.607 -8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.335 -2.411 -9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.020 -4.415 -8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.759 -2.971 -7.437 1.00 0.00 H new ATOM 0 HE ARG A 59 -22.208 -3.542 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -23.433 -3.492 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.121 -3.627 -7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -24.385 -3.726 -10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -25.656 -3.758 -9.716 1.00 0.00 H new ATOM 916 N VAL A 60 -19.194 -3.277 -5.838 1.00 0.00 N ATOM 917 CA VAL A 60 -19.407 -3.797 -4.494 1.00 0.00 C ATOM 918 C VAL A 60 -19.183 -5.310 -4.442 1.00 0.00 C ATOM 919 O VAL A 60 -19.070 -5.890 -3.362 1.00 0.00 O ATOM 920 CB VAL A 60 -20.831 -3.469 -3.993 1.00 0.00 C ATOM 921 CG1 VAL A 60 -21.069 -4.034 -2.599 1.00 0.00 C ATOM 922 CG2 VAL A 60 -21.066 -1.964 -4.009 1.00 0.00 C ATOM 0 H VAL A 60 -20.048 -3.173 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 60 -18.680 -3.313 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.544 -3.941 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -22.080 -3.787 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -20.949 -5.117 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -20.349 -3.603 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.074 -1.749 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -20.340 -1.475 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -20.953 -1.589 -5.026 1.00 0.00 H new ATOM 932 N ASN A 61 -19.108 -5.944 -5.612 1.00 0.00 N ATOM 933 CA ASN A 61 -18.889 -7.386 -5.685 1.00 0.00 C ATOM 934 C ASN A 61 -17.860 -7.725 -6.760 1.00 0.00 C ATOM 935 O ASN A 61 -18.194 -8.300 -7.798 1.00 0.00 O ATOM 936 CB ASN A 61 -20.206 -8.109 -5.973 1.00 0.00 C ATOM 937 CG ASN A 61 -20.991 -7.453 -7.091 1.00 0.00 C ATOM 938 OD1 ASN A 61 -21.658 -6.440 -6.882 1.00 0.00 O ATOM 939 ND2 ASN A 61 -20.912 -8.027 -8.285 1.00 0.00 N ATOM 0 H ASN A 61 -19.195 -5.483 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.504 -7.721 -4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -19.998 -9.146 -6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.813 -8.127 -5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.417 -7.629 -9.077 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -20.346 -8.866 -8.411 1.00 0.00 H new ATOM 946 N GLU A 62 -16.605 -7.369 -6.498 1.00 0.00 N ATOM 947 CA GLU A 62 -15.518 -7.634 -7.433 1.00 0.00 C ATOM 948 C GLU A 62 -14.170 -7.621 -6.713 1.00 0.00 C ATOM 949 O GLU A 62 -13.266 -8.382 -7.057 1.00 0.00 O ATOM 950 CB GLU A 62 -15.516 -6.604 -8.566 1.00 0.00 C ATOM 951 CG GLU A 62 -15.179 -7.196 -9.926 1.00 0.00 C ATOM 952 CD GLU A 62 -16.408 -7.446 -10.779 1.00 0.00 C ATOM 953 OE1 GLU A 62 -17.320 -8.161 -10.312 1.00 0.00 O ATOM 954 OE2 GLU A 62 -16.457 -6.928 -11.913 1.00 0.00 O ATOM 0 H GLU A 62 -16.316 -6.895 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.676 -8.624 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.497 -6.131 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.796 -5.820 -8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.507 -6.520 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.643 -8.134 -9.786 1.00 0.00 H new ATOM 961 N ILE A 63 -14.039 -6.752 -5.712 1.00 0.00 N ATOM 962 CA ILE A 63 -12.802 -6.647 -4.951 1.00 0.00 C ATOM 963 C ILE A 63 -12.419 -7.975 -4.320 1.00 0.00 C ATOM 964 O ILE A 63 -11.244 -8.238 -4.073 1.00 0.00 O ATOM 965 CB ILE A 63 -12.903 -5.573 -3.857 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.192 -5.737 -3.048 1.00 0.00 C ATOM 967 CG2 ILE A 63 -12.842 -4.200 -4.494 1.00 0.00 C ATOM 968 CD1 ILE A 63 -14.246 -4.870 -1.806 1.00 0.00 C ATOM 0 H ILE A 63 -14.775 -6.113 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.025 -6.358 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 63 -12.065 -5.687 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.043 -5.497 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.297 -6.782 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -12.914 -3.436 -3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.898 -4.088 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -13.670 -4.086 -5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.188 -5.040 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.415 -5.125 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.174 -3.821 -2.091 1.00 0.00 H new ATOM 980 N GLU A 64 -13.415 -8.807 -4.062 1.00 0.00 N ATOM 981 CA GLU A 64 -13.180 -10.107 -3.459 1.00 0.00 C ATOM 982 C GLU A 64 -12.512 -11.060 -4.443 1.00 0.00 C ATOM 983 O GLU A 64 -11.666 -11.867 -4.060 1.00 0.00 O ATOM 984 CB GLU A 64 -14.498 -10.707 -2.976 1.00 0.00 C ATOM 985 CG GLU A 64 -14.320 -11.819 -1.957 1.00 0.00 C ATOM 986 CD GLU A 64 -14.924 -13.132 -2.417 1.00 0.00 C ATOM 987 OE1 GLU A 64 -14.249 -13.863 -3.172 1.00 0.00 O ATOM 988 OE2 GLU A 64 -16.072 -13.427 -2.024 1.00 0.00 O ATOM 0 H GLU A 64 -14.395 -8.604 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.511 -9.967 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.108 -9.918 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.047 -11.095 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.257 -11.961 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.781 -11.521 -1.015 1.00 0.00 H new ATOM 995 N THR A 65 -12.905 -10.974 -5.710 1.00 0.00 N ATOM 996 CA THR A 65 -12.346 -11.847 -6.737 1.00 0.00 C ATOM 997 C THR A 65 -10.973 -11.363 -7.193 1.00 0.00 C ATOM 998 O THR A 65 -10.051 -12.161 -7.357 1.00 0.00 O ATOM 999 CB THR A 65 -13.294 -11.937 -7.935 1.00 0.00 C ATOM 1000 OG1 THR A 65 -14.608 -11.563 -7.564 1.00 0.00 O ATOM 1001 CG2 THR A 65 -13.366 -13.324 -8.535 1.00 0.00 C ATOM 0 H THR A 65 -13.604 -10.313 -6.049 1.00 0.00 H new ATOM 0 HA THR A 65 -12.227 -12.838 -6.300 1.00 0.00 H new ATOM 0 HB THR A 65 -12.885 -11.255 -8.680 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.198 -11.625 -8.344 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.055 -13.320 -9.380 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.375 -13.625 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.720 -14.028 -7.782 1.00 0.00 H new ATOM 1009 N TYR A 66 -10.834 -10.055 -7.388 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.559 -9.484 -7.813 1.00 0.00 C ATOM 1011 C TYR A 66 -8.701 -9.084 -6.608 1.00 0.00 C ATOM 1012 O TYR A 66 -7.699 -8.387 -6.751 1.00 0.00 O ATOM 1013 CB TYR A 66 -9.783 -8.296 -8.765 1.00 0.00 C ATOM 1014 CG TYR A 66 -9.788 -6.935 -8.099 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -8.601 -6.274 -7.816 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -10.980 -6.315 -7.754 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -8.600 -5.036 -7.207 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -10.986 -5.073 -7.145 1.00 0.00 C ATOM 1019 CZ TYR A 66 -9.795 -4.440 -6.874 1.00 0.00 C ATOM 1020 OH TYR A 66 -9.800 -3.208 -6.266 1.00 0.00 O ATOM 0 H TYR A 66 -11.583 -9.374 -7.260 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.011 -10.251 -8.361 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -9.004 -8.308 -9.527 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -10.734 -8.436 -9.279 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.661 -6.737 -8.077 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.917 -6.809 -7.964 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -7.666 -4.537 -6.993 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.922 -4.602 -6.883 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.615 -3.315 -5.309 1.00 0.00 H new ATOM 1030 N MET A 67 -9.091 -9.544 -5.422 1.00 0.00 N ATOM 1031 CA MET A 67 -8.354 -9.242 -4.194 1.00 0.00 C ATOM 1032 C MET A 67 -6.993 -9.942 -4.174 1.00 0.00 C ATOM 1033 O MET A 67 -6.668 -10.658 -3.225 1.00 0.00 O ATOM 1034 CB MET A 67 -9.172 -9.661 -2.966 1.00 0.00 C ATOM 1035 CG MET A 67 -9.263 -8.584 -1.896 1.00 0.00 C ATOM 1036 SD MET A 67 -7.776 -8.481 -0.879 1.00 0.00 S ATOM 1037 CE MET A 67 -8.144 -9.691 0.391 1.00 0.00 C ATOM 0 H MET A 67 -9.915 -10.129 -5.283 1.00 0.00 H new ATOM 0 HA MET A 67 -8.184 -8.166 -4.165 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.179 -9.929 -3.285 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.726 -10.556 -2.531 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.440 -7.619 -2.372 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.122 -8.786 -1.256 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.315 -9.741 1.097 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.052 -9.400 0.919 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.289 -10.669 -0.069 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.201 -9.736 -5.221 1.00 0.00 N ATOM 1048 CA ASP A 68 -4.883 -10.350 -5.317 1.00 0.00 C ATOM 1049 C ASP A 68 -3.929 -9.760 -4.284 1.00 0.00 C ATOM 1050 O ASP A 68 -3.180 -10.487 -3.632 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.310 -10.158 -6.722 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.696 -11.284 -7.662 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -5.870 -11.708 -7.630 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -3.823 -11.743 -8.429 1.00 0.00 O ATOM 0 H ASP A 68 -6.450 -9.147 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.992 -11.416 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.663 -9.211 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.223 -10.094 -6.663 1.00 0.00 H new ATOM 1059 N GLY A 69 -3.959 -8.438 -4.140 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.087 -7.780 -3.183 1.00 0.00 C ATOM 1061 C GLY A 69 -3.530 -6.367 -2.864 1.00 0.00 C ATOM 1062 O GLY A 69 -2.955 -5.401 -3.365 1.00 0.00 O ATOM 0 H GLY A 69 -4.569 -7.813 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.058 -8.364 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.072 -7.758 -3.578 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.555 -6.242 -2.029 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.070 -4.933 -1.648 1.00 0.00 C ATOM 1068 C VAL A 70 -4.646 -4.572 -0.227 1.00 0.00 C ATOM 1069 O VAL A 70 -4.856 -5.344 0.710 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.611 -4.863 -1.752 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.060 -3.427 -1.950 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.134 -5.739 -2.886 1.00 0.00 C ATOM 0 H VAL A 70 -5.045 -7.029 -1.604 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.644 -4.215 -2.349 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.026 -5.241 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.147 -3.392 -2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.733 -2.823 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.623 -3.032 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.221 -5.666 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.709 -5.403 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.847 -6.775 -2.707 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.046 -3.394 -0.075 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.587 -2.924 1.229 1.00 0.00 C ATOM 1084 C HIS A 71 -4.718 -2.239 1.998 1.00 0.00 C ATOM 1085 O HIS A 71 -4.698 -2.186 3.226 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.411 -1.964 1.050 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.749 -1.557 2.327 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -1.043 -2.433 3.122 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -1.672 -0.351 2.938 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -0.559 -1.787 4.168 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -0.926 -0.522 4.080 1.00 0.00 N ATOM 0 H HIS A 71 -3.866 -2.746 -0.842 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.261 -3.787 1.810 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.669 -2.433 0.403 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.762 -1.070 0.535 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.914 -3.427 2.932 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.114 0.572 2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.035 -2.220 4.959 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.707 -1.723 1.268 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.845 -1.052 1.891 1.00 0.00 C ATOM 1102 C LEU A 72 -8.060 -1.053 0.965 1.00 0.00 C ATOM 1103 O LEU A 72 -7.923 -0.998 -0.257 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.481 0.387 2.273 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.652 0.537 3.554 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -5.468 2.009 3.901 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.303 -0.205 4.714 1.00 0.00 C ATOM 0 H LEU A 72 -5.742 -1.757 0.249 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.100 -1.605 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.928 0.835 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.402 0.959 2.387 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.671 0.096 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.877 2.097 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.952 2.514 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.443 2.471 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.695 -0.083 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.299 0.201 4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.381 -1.264 4.470 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.249 -1.124 1.560 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.493 -1.144 0.796 1.00 0.00 C ATOM 1121 C ILE A 73 -11.428 -0.024 1.246 1.00 0.00 C ATOM 1122 O ILE A 73 -11.548 0.256 2.436 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.229 -2.492 0.970 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.296 -3.540 1.572 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -11.816 -2.990 -0.340 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.098 -3.857 0.709 1.00 0.00 C ATOM 0 H ILE A 73 -9.376 -1.169 2.571 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.227 -1.003 -0.252 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.058 -2.324 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.949 -3.189 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.859 -4.457 1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.324 -3.940 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.529 -2.259 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.016 -3.129 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.483 -4.609 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -9.435 -4.239 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.511 -2.952 0.555 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.094 0.614 0.295 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.022 1.690 0.619 1.00 0.00 C ATOM 1140 C CYS A 74 -14.392 1.413 0.008 1.00 0.00 C ATOM 1141 O CYS A 74 -14.587 1.562 -1.199 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.483 3.035 0.131 1.00 0.00 C ATOM 1143 SG CYS A 74 -13.501 4.451 0.606 1.00 0.00 S ATOM 0 H CYS A 74 -12.011 0.408 -0.701 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.127 1.736 1.703 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.476 3.176 0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.399 3.009 -0.955 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.964 5.544 0.150 1.00 0.00 H new ATOM 1149 N THR A 75 -15.336 1.001 0.849 1.00 0.00 N ATOM 1150 CA THR A 75 -16.686 0.692 0.395 1.00 0.00 C ATOM 1151 C THR A 75 -17.724 1.145 1.417 1.00 0.00 C ATOM 1152 O THR A 75 -17.467 1.138 2.621 1.00 0.00 O ATOM 1153 CB THR A 75 -16.829 -0.813 0.157 1.00 0.00 C ATOM 1154 OG1 THR A 75 -15.754 -1.303 -0.634 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.137 -1.192 -0.515 1.00 0.00 C ATOM 0 H THR A 75 -15.189 0.874 1.850 1.00 0.00 H new ATOM 0 HA THR A 75 -16.858 1.228 -0.538 1.00 0.00 H new ATOM 0 HB THR A 75 -16.815 -1.270 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.863 -2.267 -0.773 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.175 -2.272 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.972 -0.878 0.111 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.204 -0.698 -1.484 1.00 0.00 H new ATOM 1163 N THR A 76 -18.899 1.526 0.928 1.00 0.00 N ATOM 1164 CA THR A 76 -19.983 1.969 1.798 1.00 0.00 C ATOM 1165 C THR A 76 -20.825 0.778 2.245 1.00 0.00 C ATOM 1166 O THR A 76 -21.948 0.588 1.775 1.00 0.00 O ATOM 1167 CB THR A 76 -20.865 2.984 1.070 1.00 0.00 C ATOM 1168 OG1 THR A 76 -20.072 3.942 0.390 1.00 0.00 O ATOM 1169 CG2 THR A 76 -21.803 3.734 1.991 1.00 0.00 C ATOM 0 H THR A 76 -19.125 1.537 -0.066 1.00 0.00 H new ATOM 0 HA THR A 76 -19.548 2.444 2.677 1.00 0.00 H new ATOM 0 HB THR A 76 -21.462 2.398 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 76 -20.655 4.581 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 76 -22.399 4.437 1.409 1.00 0.00 H new ATOM 0 HG22 THR A 76 -22.464 3.027 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 76 -21.223 4.279 2.736 1.00 0.00 H new ATOM 1294 N GLY A 84 -14.268 -11.519 6.596 1.00 0.00 N ATOM 1295 CA GLY A 84 -13.144 -12.081 7.321 1.00 0.00 C ATOM 1296 C GLY A 84 -12.364 -11.026 8.080 1.00 0.00 C ATOM 1297 O GLY A 84 -12.514 -10.885 9.294 1.00 0.00 O ATOM 0 HA2 GLY A 84 -13.506 -12.835 8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.480 -12.588 6.621 1.00 0.00 H new ATOM 1301 N ASP A 85 -11.533 -10.280 7.361 1.00 0.00 N ATOM 1302 CA ASP A 85 -10.727 -9.225 7.966 1.00 0.00 C ATOM 1303 C ASP A 85 -10.372 -8.161 6.936 1.00 0.00 C ATOM 1304 O ASP A 85 -9.422 -7.401 7.120 1.00 0.00 O ATOM 1305 CB ASP A 85 -9.446 -9.810 8.562 1.00 0.00 C ATOM 1306 CG ASP A 85 -9.012 -9.094 9.826 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -9.001 -7.845 9.828 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -8.679 -9.783 10.813 1.00 0.00 O ATOM 0 H ASP A 85 -11.399 -10.386 6.355 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.314 -8.764 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.601 -10.866 8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.647 -9.752 7.823 1.00 0.00 H new ATOM 1313 N ILE A 86 -11.136 -8.113 5.848 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.898 -7.149 4.786 1.00 0.00 C ATOM 1315 C ILE A 86 -10.771 -5.728 5.347 1.00 0.00 C ATOM 1316 O ILE A 86 -11.762 -5.119 5.749 1.00 0.00 O ATOM 1317 CB ILE A 86 -12.024 -7.210 3.734 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.755 -6.223 2.603 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -13.372 -6.931 4.375 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -11.934 -6.814 1.221 1.00 0.00 C ATOM 0 H ILE A 86 -11.927 -8.735 5.682 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.955 -7.410 4.305 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.046 -8.216 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.423 -5.369 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.737 -5.845 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.153 -6.979 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.569 -7.676 5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.363 -5.938 4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.725 -6.052 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.247 -7.650 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.959 -7.166 1.106 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.533 -5.190 5.394 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.259 -3.842 5.925 1.00 0.00 C ATOM 1334 C PRO A 87 -9.899 -2.722 5.106 1.00 0.00 C ATOM 1335 O PRO A 87 -9.202 -1.941 4.458 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.729 -3.739 5.856 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.331 -4.719 4.809 1.00 0.00 C ATOM 1338 CD PRO A 87 -8.297 -5.859 4.944 1.00 0.00 C ATOM 0 HA PRO A 87 -9.676 -3.721 6.925 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.411 -2.730 5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.272 -3.978 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.383 -4.275 3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.304 -5.055 4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.441 -6.381 3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.951 -6.598 5.666 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.227 -2.643 5.135 1.00 0.00 N ATOM 1347 CA LEU A 88 -11.933 -1.609 4.388 1.00 0.00 C ATOM 1348 C LEU A 88 -12.443 -0.500 5.300 1.00 0.00 C ATOM 1349 O LEU A 88 -12.548 -0.674 6.514 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.088 -2.205 3.576 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.436 -2.322 4.287 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.566 -2.267 3.268 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.492 -3.609 5.090 1.00 0.00 C ATOM 0 H LEU A 88 -11.829 -3.276 5.662 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.214 -1.169 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.226 -1.596 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.792 -3.199 3.242 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.553 -1.485 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.524 -2.351 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.525 -1.320 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.460 -3.091 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.456 -3.683 5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.365 -4.461 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.695 -3.609 5.833 1.00 0.00 H new ATOM 1365 N VAL A 89 -12.767 0.639 4.695 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.277 1.786 5.437 1.00 0.00 C ATOM 1367 C VAL A 89 -14.415 2.463 4.683 1.00 0.00 C ATOM 1368 O VAL A 89 -14.521 2.349 3.461 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.172 2.825 5.711 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -12.587 3.763 6.836 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -10.859 2.131 6.040 1.00 0.00 C ATOM 0 H VAL A 89 -12.685 0.792 3.690 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.646 1.404 6.389 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.026 3.421 4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.794 4.489 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.501 4.286 6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.763 3.186 7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.090 2.879 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.988 1.509 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.557 1.506 5.199 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.268 3.163 5.421 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.406 3.857 4.827 1.00 0.00 C ATOM 1383 C HIS A 90 -15.998 5.224 4.284 1.00 0.00 C ATOM 1384 O HIS A 90 -15.106 5.878 4.823 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.518 4.027 5.861 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.369 2.809 6.040 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -19.533 2.810 6.781 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.225 1.544 5.573 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -20.065 1.603 6.765 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -19.292 0.820 6.041 1.00 0.00 N ATOM 0 H HIS A 90 -15.194 3.266 6.433 1.00 0.00 H new ATOM 0 HA HIS A 90 -16.770 3.251 3.997 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.072 4.291 6.820 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.153 4.862 5.564 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -17.423 1.176 4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -20.978 1.307 7.261 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -19.460 -0.169 5.857 1.00 0.00 H new ATOM 1399 N GLY A 91 -16.666 5.649 3.217 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.370 6.938 2.616 1.00 0.00 C ATOM 1401 C GLY A 91 -17.565 7.871 2.636 1.00 0.00 C ATOM 1402 O GLY A 91 -17.645 8.803 1.837 1.00 0.00 O ATOM 0 H GLY A 91 -17.409 5.123 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.540 7.403 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.045 6.790 1.586 1.00 0.00 H new ATOM 1406 N MET A 92 -18.492 7.626 3.558 1.00 0.00 N ATOM 1407 CA MET A 92 -19.688 8.453 3.689 1.00 0.00 C ATOM 1408 C MET A 92 -19.329 9.939 3.695 1.00 0.00 C ATOM 1409 O MET A 92 -19.914 10.730 2.954 1.00 0.00 O ATOM 1410 CB MET A 92 -20.441 8.097 4.973 1.00 0.00 C ATOM 1411 CG MET A 92 -21.954 8.107 4.818 1.00 0.00 C ATOM 1412 SD MET A 92 -22.636 6.458 4.555 1.00 0.00 S ATOM 1413 CE MET A 92 -23.943 6.431 5.780 1.00 0.00 C ATOM 0 H MET A 92 -18.437 6.859 4.228 1.00 0.00 H new ATOM 0 HA MET A 92 -20.329 8.256 2.830 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.125 7.108 5.306 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.160 8.802 5.756 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.404 8.544 5.709 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.225 8.746 3.978 1.00 0.00 H new ATOM 0 HE1 MET A 92 -24.459 5.472 5.740 1.00 0.00 H new ATOM 0 HE2 MET A 92 -23.515 6.572 6.772 1.00 0.00 H new ATOM 0 HE3 MET A 92 -24.652 7.233 5.574 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.363 10.341 4.540 1.00 0.00 N ATOM 1424 CA PRO A 93 -17.938 11.739 4.642 1.00 0.00 C ATOM 1425 C PRO A 93 -17.090 12.187 3.455 1.00 0.00 C ATOM 1426 O PRO A 93 -17.066 13.371 3.116 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.118 11.765 5.930 1.00 0.00 C ATOM 1428 CG PRO A 93 -16.587 10.382 6.069 1.00 0.00 C ATOM 1429 CD PRO A 93 -17.618 9.469 5.471 1.00 0.00 C ATOM 0 HA PRO A 93 -18.788 12.421 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.311 12.495 5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -17.734 12.040 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.632 10.279 5.554 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.412 10.137 7.117 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.156 8.630 4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.272 9.049 6.235 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.395 11.244 2.823 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.556 11.570 1.674 1.00 0.00 C ATOM 1439 C PHE A 94 -16.418 11.995 0.491 1.00 0.00 C ATOM 1440 O PHE A 94 -16.052 12.890 -0.270 1.00 0.00 O ATOM 1441 CB PHE A 94 -14.689 10.366 1.286 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.210 10.639 1.333 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -12.701 11.866 0.935 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.330 9.666 1.775 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.342 12.116 0.979 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -10.970 9.910 1.821 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.475 11.135 1.422 1.00 0.00 C ATOM 0 H PHE A 94 -16.396 10.258 3.084 1.00 0.00 H new ATOM 0 HA PHE A 94 -14.903 12.398 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.917 9.536 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.958 10.047 0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.374 12.635 0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.710 8.705 2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.958 13.076 0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.295 9.142 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.413 11.327 1.456 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.566 11.343 0.346 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.487 11.645 -0.742 1.00 0.00 C ATOM 1459 C VAL A 95 -19.262 12.931 -0.468 1.00 0.00 C ATOM 1460 O VAL A 95 -19.768 13.570 -1.390 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.488 10.495 -0.969 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.274 10.717 -2.249 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -18.769 9.154 -1.010 1.00 0.00 C ATOM 0 H VAL A 95 -17.881 10.600 0.970 1.00 0.00 H new ATOM 0 HA VAL A 95 -17.882 11.773 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.187 10.482 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.975 9.895 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -20.824 11.656 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -19.588 10.760 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.495 8.357 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.044 9.155 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.253 8.989 -0.064 1.00 0.00 H new ATOM 1473 N SER A 96 -19.353 13.307 0.805 1.00 0.00 N ATOM 1474 CA SER A 96 -20.066 14.517 1.194 1.00 0.00 C ATOM 1475 C SER A 96 -19.400 15.753 0.598 1.00 0.00 C ATOM 1476 O SER A 96 -20.075 16.686 0.166 1.00 0.00 O ATOM 1477 CB SER A 96 -20.121 14.635 2.719 1.00 0.00 C ATOM 1478 OG SER A 96 -21.408 14.299 3.212 1.00 0.00 O ATOM 0 H SER A 96 -18.942 12.791 1.583 1.00 0.00 H new ATOM 0 HA SER A 96 -21.083 14.452 0.807 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.375 13.977 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.868 15.652 3.017 1.00 0.00 H new ATOM 0 HG SER A 96 -21.416 14.381 4.189 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.070 15.753 0.583 1.00 0.00 N ATOM 1485 CA GLY A 97 -17.337 16.882 0.041 1.00 0.00 C ATOM 1486 C GLY A 97 -17.172 18.010 1.046 1.00 0.00 C ATOM 1487 O GLY A 97 -16.481 18.993 0.773 1.00 0.00 O ATOM 0 H GLY A 97 -17.489 14.993 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -16.353 16.547 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -17.857 17.259 -0.840 1.00 0.00 H new ATOM 1491 N VAL A 98 -17.811 17.874 2.205 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.733 18.892 3.246 1.00 0.00 C ATOM 1493 C VAL A 98 -17.172 18.319 4.548 1.00 0.00 C ATOM 1494 O VAL A 98 -16.551 19.035 5.332 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.115 19.525 3.515 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -20.095 18.491 4.058 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -18.986 20.705 4.467 1.00 0.00 C ATOM 0 H VAL A 98 -18.388 17.068 2.446 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.055 19.664 2.883 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.511 19.892 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -21.060 18.964 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -20.215 17.687 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.711 18.082 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.970 21.138 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -18.563 20.365 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -18.332 21.458 4.027 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.400 17.028 4.773 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.915 16.386 5.983 1.00 0.00 C ATOM 1509 C GLY A 99 -15.490 15.872 5.855 1.00 0.00 C ATOM 1510 O GLY A 99 -14.934 15.337 6.815 1.00 0.00 O ATOM 0 H GLY A 99 -17.912 16.415 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.966 17.095 6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.573 15.555 6.235 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.896 16.028 4.673 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.532 15.569 4.441 1.00 0.00 C ATOM 1516 C ILE A 100 -12.538 16.338 5.304 1.00 0.00 C ATOM 1517 O ILE A 100 -11.576 15.770 5.811 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.135 15.712 2.956 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.099 14.918 2.075 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -11.704 15.239 2.736 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.202 15.444 0.660 1.00 0.00 C ATOM 0 H ILE A 100 -15.338 16.467 3.865 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.501 14.514 4.715 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.194 16.765 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.776 13.877 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.089 14.931 2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.443 15.348 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.025 15.839 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.619 14.191 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.904 14.831 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.555 16.475 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.222 15.405 0.185 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.774 17.638 5.461 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.892 18.485 6.259 1.00 0.00 C ATOM 1535 C GLU A 101 -11.580 17.844 7.609 1.00 0.00 C ATOM 1536 O GLU A 101 -10.415 17.666 7.969 1.00 0.00 O ATOM 1537 CB GLU A 101 -12.525 19.864 6.466 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.925 20.946 5.581 1.00 0.00 C ATOM 1539 CD GLU A 101 -10.417 21.032 5.705 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -9.930 21.442 6.780 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -9.720 20.687 4.726 1.00 0.00 O ATOM 0 H GLU A 101 -13.567 18.127 5.047 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.955 18.600 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.595 19.797 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.410 20.155 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.190 20.748 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.363 21.909 5.844 1.00 0.00 H new ATOM 1548 N ALA A 102 -12.624 17.498 8.353 1.00 0.00 N ATOM 1549 CA ALA A 102 -12.455 16.876 9.661 1.00 0.00 C ATOM 1550 C ALA A 102 -11.983 15.433 9.527 1.00 0.00 C ATOM 1551 O ALA A 102 -11.088 14.993 10.250 1.00 0.00 O ATOM 1552 CB ALA A 102 -13.758 16.937 10.445 1.00 0.00 C ATOM 0 H ALA A 102 -13.595 17.637 8.074 1.00 0.00 H new ATOM 0 HA ALA A 102 -11.690 17.431 10.204 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -13.618 16.469 11.420 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.053 17.978 10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -14.538 16.408 9.897 1.00 0.00 H new ATOM 1558 N LEU A 103 -12.592 14.699 8.600 1.00 0.00 N ATOM 1559 CA LEU A 103 -12.233 13.303 8.376 1.00 0.00 C ATOM 1560 C LEU A 103 -10.766 13.163 7.991 1.00 0.00 C ATOM 1561 O LEU A 103 -10.091 12.229 8.419 1.00 0.00 O ATOM 1562 CB LEU A 103 -13.107 12.690 7.276 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.684 11.286 6.828 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.559 10.232 7.481 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -12.731 11.166 5.310 1.00 0.00 C ATOM 0 H LEU A 103 -13.335 15.047 7.993 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.401 12.770 9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.137 12.648 7.630 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.094 13.352 6.410 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.655 11.120 7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.244 9.242 7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.464 10.301 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.599 10.395 7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.427 10.162 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.746 11.355 4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.053 11.895 4.866 1.00 0.00 H new ATOM 1577 N GLN A 104 -10.281 14.089 7.172 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.897 14.057 6.709 1.00 0.00 C ATOM 1579 C GLN A 104 -7.938 13.799 7.865 1.00 0.00 C ATOM 1580 O GLN A 104 -7.088 12.911 7.792 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.548 15.380 6.026 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.306 15.315 5.155 1.00 0.00 C ATOM 1583 CD GLN A 104 -6.637 16.666 5.007 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -6.956 17.434 4.099 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -5.705 16.964 5.903 1.00 0.00 N ATOM 0 H GLN A 104 -10.826 14.873 6.814 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.794 13.241 5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.393 15.695 5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.405 16.145 6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.599 14.607 5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.575 14.935 4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.473 16.297 6.639 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.221 17.860 5.856 1.00 0.00 H new ATOM 1594 N ASN A 105 -8.082 14.569 8.933 1.00 0.00 N ATOM 1595 CA ASN A 105 -7.230 14.412 10.104 1.00 0.00 C ATOM 1596 C ASN A 105 -7.261 12.971 10.611 1.00 0.00 C ATOM 1597 O ASN A 105 -6.216 12.365 10.849 1.00 0.00 O ATOM 1598 CB ASN A 105 -7.675 15.368 11.211 1.00 0.00 C ATOM 1599 CG ASN A 105 -6.507 15.927 11.999 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -6.540 15.969 13.229 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -5.469 16.365 11.295 1.00 0.00 N ATOM 0 H ASN A 105 -8.780 15.308 9.014 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.206 14.652 9.816 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.239 16.190 10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.350 14.845 11.889 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.657 16.755 11.773 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.484 16.311 10.277 1.00 0.00 H new ATOM 1608 N LYS A 106 -8.465 12.427 10.772 1.00 0.00 N ATOM 1609 CA LYS A 106 -8.628 11.058 11.249 1.00 0.00 C ATOM 1610 C LYS A 106 -7.979 10.059 10.291 1.00 0.00 C ATOM 1611 O LYS A 106 -7.241 9.171 10.716 1.00 0.00 O ATOM 1612 CB LYS A 106 -10.113 10.727 11.426 1.00 0.00 C ATOM 1613 CG LYS A 106 -10.465 10.254 12.829 1.00 0.00 C ATOM 1614 CD LYS A 106 -11.849 10.729 13.250 1.00 0.00 C ATOM 1615 CE LYS A 106 -12.762 9.563 13.599 1.00 0.00 C ATOM 1616 NZ LYS A 106 -12.847 9.341 15.069 1.00 0.00 N ATOM 0 H LYS A 106 -9.341 12.913 10.579 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.129 10.979 12.215 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.705 11.611 11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.393 9.955 10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.426 9.165 12.867 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.722 10.624 13.535 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.760 11.392 14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.295 11.312 12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.760 9.753 13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.394 8.658 13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.479 8.538 15.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.899 9.134 15.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.222 10.195 15.528 1.00 0.00 H new ATOM 1630 N ILE A 107 -8.253 10.209 8.996 1.00 0.00 N ATOM 1631 CA ILE A 107 -7.686 9.311 7.993 1.00 0.00 C ATOM 1632 C ILE A 107 -6.165 9.309 8.061 1.00 0.00 C ATOM 1633 O ILE A 107 -5.537 8.250 8.068 1.00 0.00 O ATOM 1634 CB ILE A 107 -8.115 9.693 6.561 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -9.623 9.930 6.488 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.699 8.611 5.576 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -10.453 8.769 6.992 1.00 0.00 C ATOM 0 H ILE A 107 -8.859 10.938 8.619 1.00 0.00 H new ATOM 0 HA ILE A 107 -8.070 8.317 8.220 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.612 10.622 6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.869 10.819 7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.898 10.138 5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.009 8.896 4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -6.616 8.492 5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.174 7.669 5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.512 9.015 6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.238 7.882 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.208 8.573 8.036 1.00 0.00 H new ATOM 1649 N LEU A 108 -5.574 10.499 8.112 1.00 0.00 N ATOM 1650 CA LEU A 108 -4.122 10.627 8.182 1.00 0.00 C ATOM 1651 C LEU A 108 -3.564 9.837 9.362 1.00 0.00 C ATOM 1652 O LEU A 108 -2.619 9.064 9.211 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.718 12.097 8.302 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.508 12.828 6.973 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -3.114 14.278 7.218 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.454 12.124 6.129 1.00 0.00 C ATOM 0 H LEU A 108 -6.077 11.387 8.106 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.704 10.220 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.486 12.623 8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.796 12.157 8.881 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.449 12.813 6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.969 14.782 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.904 14.780 7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.187 14.311 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.322 12.661 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.509 12.103 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.776 11.104 5.921 1.00 0.00 H new ATOM 1668 N THR A 109 -4.157 10.038 10.536 1.00 0.00 N ATOM 1669 CA THR A 109 -3.720 9.346 11.747 1.00 0.00 C ATOM 1670 C THR A 109 -3.613 7.842 11.518 1.00 0.00 C ATOM 1671 O THR A 109 -2.646 7.208 11.940 1.00 0.00 O ATOM 1672 CB THR A 109 -4.690 9.624 12.898 1.00 0.00 C ATOM 1673 OG1 THR A 109 -5.500 10.748 12.608 1.00 0.00 O ATOM 1674 CG2 THR A 109 -3.994 9.885 14.218 1.00 0.00 C ATOM 0 H THR A 109 -4.942 10.675 10.675 1.00 0.00 H new ATOM 0 HA THR A 109 -2.732 9.725 12.007 1.00 0.00 H new ATOM 0 HB THR A 109 -5.290 8.720 12.997 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.932 11.536 12.477 1.00 0.00 H new ATOM 0 HG21 THR A 109 -4.739 10.075 14.991 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.399 9.015 14.494 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.343 10.754 14.121 1.00 0.00 H new ATOM 1682 N ILE A 110 -4.612 7.274 10.848 1.00 0.00 N ATOM 1683 CA ILE A 110 -4.619 5.841 10.572 1.00 0.00 C ATOM 1684 C ILE A 110 -3.489 5.457 9.622 1.00 0.00 C ATOM 1685 O ILE A 110 -2.816 4.447 9.822 1.00 0.00 O ATOM 1686 CB ILE A 110 -5.959 5.374 9.968 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -7.138 5.935 10.765 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -6.017 3.855 9.943 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -8.476 5.721 10.090 1.00 0.00 C ATOM 0 H ILE A 110 -5.421 7.780 10.489 1.00 0.00 H new ATOM 0 HA ILE A 110 -4.476 5.344 11.532 1.00 0.00 H new ATOM 0 HB ILE A 110 -6.027 5.749 8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -7.157 5.467 11.749 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -6.985 7.003 10.922 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.967 3.534 9.515 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.197 3.470 9.337 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.929 3.471 10.959 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.268 6.143 10.709 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.475 6.212 9.117 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.650 4.653 9.957 1.00 0.00 H new ATOM 1701 N LEU A 111 -3.284 6.266 8.587 1.00 0.00 N ATOM 1702 CA LEU A 111 -2.232 5.998 7.613 1.00 0.00 C ATOM 1703 C LEU A 111 -0.853 6.139 8.252 1.00 0.00 C ATOM 1704 O LEU A 111 0.087 5.438 7.879 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.348 6.943 6.414 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.767 7.155 5.881 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -3.968 8.604 5.457 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -4.047 6.215 4.719 1.00 0.00 C ATOM 0 H LEU A 111 -3.829 7.108 8.402 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.354 4.972 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.935 7.912 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.728 6.555 5.606 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.472 6.930 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.983 8.736 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.811 9.259 6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.255 8.856 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.060 6.380 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.336 6.407 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.946 5.183 5.054 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.740 7.049 9.215 1.00 0.00 N ATOM 1721 CA GLN A 112 0.527 7.278 9.901 1.00 0.00 C ATOM 1722 C GLN A 112 0.925 6.061 10.729 1.00 0.00 C ATOM 1723 O GLN A 112 2.013 5.511 10.561 1.00 0.00 O ATOM 1724 CB GLN A 112 0.431 8.510 10.805 1.00 0.00 C ATOM 1725 CG GLN A 112 0.046 9.782 10.069 1.00 0.00 C ATOM 1726 CD GLN A 112 0.866 10.980 10.505 1.00 0.00 C ATOM 1727 OE1 GLN A 112 1.711 11.475 9.758 1.00 0.00 O ATOM 1728 NE2 GLN A 112 0.620 11.452 11.722 1.00 0.00 N ATOM 0 H GLN A 112 -1.508 7.638 9.537 1.00 0.00 H new ATOM 0 HA GLN A 112 1.292 7.450 9.144 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.303 8.318 11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.391 8.663 11.298 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.174 9.630 8.997 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -1.011 9.989 10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.090 11.010 12.307 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.141 12.256 12.072 1.00 0.00 H new ATOM 1737 N GLY A 113 0.036 5.646 11.625 1.00 0.00 N ATOM 1738 CA GLY A 113 0.313 4.499 12.469 1.00 0.00 C ATOM 1739 C GLY A 113 0.690 4.897 13.882 1.00 0.00 C ATOM 1740 O GLY A 113 1.811 5.409 14.075 1.00 0.00 O ATOM 1741 OXT GLY A 113 -0.139 4.697 14.796 1.00 0.00 O ATOM 0 H GLY A 113 -0.872 6.084 11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.565 3.853 12.499 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.123 3.916 12.031 1.00 0.00 H new