USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 365 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 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.23! K(o=-2.2!,f=-0.11) USER MOD Single : A 33 ASN : amide:sc= -0.977 X(o=-0.98,f=-0.51) USER MOD Single : A 36 GLN : amide:sc=-0.00221 K(o=-0.0022,f=-0.85) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 38 SER OG : rot 84:sc= 0.203 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.049 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.913 K(o=-0.91,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.0354 X(o=-0.035,f=-0.1) USER MOD Single : A 62 CYS SG : rot 167:sc= -5.14! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc=-0.00408 X(o=-0.0041,f=-0.35) USER MOD Single : A 71 THR OG1 : rot 173:sc= 0.451 USER MOD ----------------------------------------------------------------- ATOM 363 N LEU A 26 -17.727 -22.992 15.548 1.00 21.21 N ATOM 364 CA LEU A 26 -17.127 -23.256 14.241 1.00 15.43 C ATOM 365 C LEU A 26 -17.622 -22.243 13.220 1.00 11.11 C ATOM 366 O LEU A 26 -18.791 -21.850 13.225 1.00 33.23 O ATOM 367 CB LEU A 26 -17.430 -24.677 13.730 1.00 3.44 C ATOM 368 CG LEU A 26 -16.648 -25.819 14.398 1.00 42.43 C ATOM 369 CD1 LEU A 26 -15.159 -25.493 14.483 1.00 63.11 C ATOM 370 CD2 LEU A 26 -17.220 -26.142 15.774 1.00 21.13 C ATOM 0 HA LEU A 26 -16.048 -23.168 14.367 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -18.495 -24.868 13.861 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.230 -24.706 12.659 1.00 3.44 H new ATOM 0 HG LEU A 26 -16.757 -26.706 13.774 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -14.632 -26.319 14.960 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -14.762 -25.341 13.479 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -15.018 -24.586 15.070 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -16.648 -26.953 16.224 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -17.159 -25.259 16.410 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -18.262 -26.445 15.673 1.00 21.13 H new ATOM 382 N TYR A 27 -16.719 -21.827 12.353 1.00 5.01 N ATOM 383 CA TYR A 27 -17.011 -20.870 11.302 1.00 1.23 C ATOM 384 C TYR A 27 -16.520 -21.405 9.971 1.00 21.45 C ATOM 385 O TYR A 27 -15.591 -22.220 9.918 1.00 35.30 O ATOM 386 CB TYR A 27 -16.333 -19.516 11.589 1.00 52.12 C ATOM 387 CG TYR A 27 -17.057 -18.649 12.601 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.337 -19.115 13.880 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.456 -17.355 12.276 1.00 22.21 C ATOM 390 CE1 TYR A 27 -17.993 -18.326 14.798 1.00 54.23 C ATOM 391 CE2 TYR A 27 -18.113 -16.560 13.193 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.380 -17.052 14.455 1.00 13.21 C ATOM 393 OH TYR A 27 -19.030 -16.268 15.380 1.00 30.44 O ATOM 0 H TYR A 27 -15.751 -22.147 12.358 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.090 -20.720 11.266 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.320 -19.700 11.947 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.245 -18.963 10.654 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -17.035 -20.114 14.159 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.248 -16.967 11.290 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -18.203 -18.707 15.786 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.417 -15.559 12.925 1.00 1.01 H new ATOM 0 HH TYR A 27 -19.235 -15.396 14.983 1.00 30.44 H new ATOM 403 N PHE A 28 -17.172 -20.958 8.913 1.00 71.32 N ATOM 404 CA PHE A 28 -16.717 -21.184 7.555 1.00 10.14 C ATOM 405 C PHE A 28 -16.382 -19.847 6.920 1.00 42.44 C ATOM 406 O PHE A 28 -16.712 -18.787 7.462 1.00 44.14 O ATOM 407 CB PHE A 28 -17.789 -21.909 6.715 1.00 40.34 C ATOM 408 CG PHE A 28 -17.475 -23.360 6.459 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.233 -23.733 5.972 1.00 65.42 C ATOM 410 CD2 PHE A 28 -18.416 -24.347 6.701 1.00 74.33 C ATOM 411 CE1 PHE A 28 -15.942 -25.058 5.734 1.00 62.14 C ATOM 412 CE2 PHE A 28 -18.119 -25.676 6.464 1.00 21.32 C ATOM 413 CZ PHE A 28 -16.885 -26.027 5.981 1.00 60.33 C ATOM 0 H PHE A 28 -18.039 -20.424 8.974 1.00 71.32 H new ATOM 0 HA PHE A 28 -15.833 -21.820 7.584 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -18.749 -21.838 7.227 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -17.899 -21.396 5.760 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.486 -22.978 5.777 1.00 65.42 H new ATOM 0 HD2 PHE A 28 -19.391 -24.076 7.078 1.00 74.33 H new ATOM 0 HE1 PHE A 28 -14.971 -25.336 5.352 1.00 62.14 H new ATOM 0 HE2 PHE A 28 -18.859 -26.438 6.659 1.00 21.32 H new ATOM 0 HZ PHE A 28 -16.654 -27.065 5.794 1.00 60.33 H new ATOM 423 N VAL A 29 -15.719 -19.904 5.789 1.00 31.31 N ATOM 424 CA VAL A 29 -15.470 -18.730 4.985 1.00 3.35 C ATOM 425 C VAL A 29 -16.610 -18.628 3.972 1.00 63.31 C ATOM 426 O VAL A 29 -17.150 -19.652 3.562 1.00 22.10 O ATOM 427 CB VAL A 29 -14.096 -18.850 4.275 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.843 -17.672 3.346 1.00 63.55 C ATOM 429 CG2 VAL A 29 -12.960 -19.000 5.298 1.00 71.30 C ATOM 0 H VAL A 29 -15.337 -20.766 5.400 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.435 -17.831 5.601 1.00 3.35 H new ATOM 0 HB VAL A 29 -14.120 -19.751 3.662 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.872 -17.789 2.866 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.622 -17.635 2.585 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.854 -16.746 3.921 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -12.007 -19.082 4.775 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -12.941 -18.128 5.951 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.124 -19.897 5.895 1.00 71.30 H new ATOM 439 N VAL A 30 -17.022 -17.424 3.607 1.00 64.44 N ATOM 440 CA VAL A 30 -18.128 -17.252 2.658 1.00 74.31 C ATOM 441 C VAL A 30 -17.845 -16.111 1.696 1.00 41.10 C ATOM 442 O VAL A 30 -16.957 -15.288 1.942 1.00 44.12 O ATOM 443 CB VAL A 30 -19.483 -16.991 3.368 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.867 -18.170 4.259 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.447 -15.685 4.161 1.00 64.13 C ATOM 0 H VAL A 30 -16.615 -16.553 3.947 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.206 -18.190 2.108 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.251 -16.889 2.601 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.820 -17.963 4.746 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.958 -19.071 3.652 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -19.098 -18.319 5.017 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.410 -15.528 4.648 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.663 -15.739 4.916 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -19.243 -14.855 3.485 1.00 64.13 H new ATOM 455 N ARG A 31 -18.597 -16.068 0.600 1.00 74.21 N ATOM 456 CA ARG A 31 -18.423 -15.014 -0.401 1.00 61.34 C ATOM 457 C ARG A 31 -19.625 -14.944 -1.345 1.00 65.32 C ATOM 458 O ARG A 31 -20.397 -15.904 -1.449 1.00 35.24 O ATOM 459 CB ARG A 31 -17.148 -15.280 -1.221 1.00 41.42 C ATOM 460 CG ARG A 31 -17.224 -16.572 -2.031 1.00 24.13 C ATOM 461 CD ARG A 31 -15.940 -16.878 -2.791 1.00 34.43 C ATOM 462 NE ARG A 31 -16.096 -18.082 -3.611 1.00 52.03 N ATOM 463 CZ ARG A 31 -15.112 -18.909 -3.945 1.00 70.33 C ATOM 464 NH1 ARG A 31 -13.870 -18.679 -3.542 1.00 13.04 N ATOM 465 NH2 ARG A 31 -15.382 -19.974 -4.685 1.00 53.34 N ATOM 0 H ARG A 31 -19.328 -16.744 0.381 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.337 -14.062 0.123 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -16.975 -14.443 -1.897 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.292 -15.328 -0.548 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -17.448 -17.401 -1.360 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -18.050 -16.502 -2.739 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -15.677 -16.032 -3.426 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -15.119 -17.016 -2.087 1.00 34.43 H new ATOM 0 HE ARG A 31 -17.032 -18.302 -3.951 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -13.663 -17.860 -2.970 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -13.122 -19.321 -3.804 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -16.338 -20.152 -4.993 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -14.634 -20.616 -4.947 1.00 53.34 H new ATOM 479 N ASN A 32 -19.784 -13.793 -2.009 1.00 2.23 N ATOM 480 CA ASN A 32 -20.722 -13.653 -3.128 1.00 31.43 C ATOM 481 C ASN A 32 -20.534 -12.300 -3.824 1.00 1.13 C ATOM 482 O ASN A 32 -20.333 -11.281 -3.166 1.00 32.34 O ATOM 483 CB ASN A 32 -22.183 -13.782 -2.653 1.00 44.45 C ATOM 484 CG ASN A 32 -22.669 -12.602 -1.813 1.00 22.14 C ATOM 485 OD1 ASN A 32 -23.830 -12.205 -1.911 1.00 21.30 O ATOM 486 ND2 ASN A 32 -21.802 -12.045 -0.971 1.00 21.21 N ATOM 0 H ASN A 32 -19.271 -12.940 -1.788 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.510 -14.457 -3.833 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -22.830 -13.886 -3.524 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.285 -14.697 -2.069 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -22.093 -11.265 -0.382 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -20.847 -12.399 -0.915 1.00 21.21 H new ATOM 493 N ASN A 33 -20.618 -12.310 -5.159 1.00 42.50 N ATOM 494 CA ASN A 33 -20.594 -11.095 -6.002 1.00 1.24 C ATOM 495 C ASN A 33 -19.426 -10.130 -5.685 1.00 14.24 C ATOM 496 O ASN A 33 -19.296 -9.079 -6.311 1.00 32.20 O ATOM 497 CB ASN A 33 -21.942 -10.361 -5.861 1.00 73.12 C ATOM 498 CG ASN A 33 -22.072 -9.154 -6.777 1.00 2.33 C ATOM 499 OD1 ASN A 33 -22.493 -9.275 -7.927 1.00 42.53 O ATOM 500 ND2 ASN A 33 -21.726 -7.979 -6.273 1.00 65.15 N ATOM 0 H ASN A 33 -20.706 -13.171 -5.698 1.00 42.50 H new ATOM 0 HA ASN A 33 -20.433 -11.425 -7.028 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -22.751 -11.059 -6.075 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -22.065 -10.038 -4.827 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -21.805 -7.137 -6.843 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -21.381 -7.917 -5.315 1.00 65.15 H new ATOM 507 N GLU A 34 -18.542 -10.516 -4.776 1.00 12.12 N ATOM 508 CA GLU A 34 -17.547 -9.589 -4.231 1.00 15.25 C ATOM 509 C GLU A 34 -16.139 -9.879 -4.746 1.00 55.43 C ATOM 510 O GLU A 34 -15.318 -8.967 -4.866 1.00 11.43 O ATOM 511 CB GLU A 34 -17.584 -9.657 -2.696 1.00 31.40 C ATOM 512 CG GLU A 34 -17.358 -11.063 -2.137 1.00 45.21 C ATOM 513 CD GLU A 34 -17.728 -11.189 -0.666 1.00 55.45 C ATOM 514 OE1 GLU A 34 -16.903 -10.825 0.197 1.00 70.25 O ATOM 515 OE2 GLU A 34 -18.848 -11.657 -0.375 1.00 52.32 O ATOM 0 H GLU A 34 -18.489 -11.462 -4.398 1.00 12.12 H new ATOM 0 HA GLU A 34 -17.801 -8.584 -4.567 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.823 -8.989 -2.293 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -18.549 -9.288 -2.348 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -17.946 -11.776 -2.715 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -16.310 -11.334 -2.266 1.00 45.21 H new ATOM 522 N GLY A 35 -15.861 -11.144 -5.058 1.00 13.30 N ATOM 523 CA GLY A 35 -14.507 -11.538 -5.426 1.00 3.53 C ATOM 524 C GLY A 35 -13.549 -11.392 -4.255 1.00 21.20 C ATOM 525 O GLY A 35 -12.331 -11.326 -4.425 1.00 11.05 O ATOM 0 H GLY A 35 -16.545 -11.901 -5.063 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -14.508 -12.572 -5.770 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -14.162 -10.925 -6.259 1.00 3.53 H new ATOM 529 N GLN A 36 -14.128 -11.339 -3.062 1.00 72.42 N ATOM 530 CA GLN A 36 -13.396 -11.160 -1.814 1.00 74.31 C ATOM 531 C GLN A 36 -13.836 -12.233 -0.829 1.00 21.04 C ATOM 532 O GLN A 36 -14.747 -13.011 -1.125 1.00 51.11 O ATOM 533 CB GLN A 36 -13.662 -9.761 -1.238 1.00 41.20 C ATOM 534 CG GLN A 36 -13.323 -8.633 -2.204 1.00 14.33 C ATOM 535 CD GLN A 36 -13.739 -7.265 -1.693 1.00 24.11 C ATOM 536 OE1 GLN A 36 -14.692 -7.138 -0.928 1.00 61.54 O ATOM 537 NE2 GLN A 36 -13.040 -6.228 -2.129 1.00 51.11 N ATOM 0 H GLN A 36 -15.136 -11.421 -2.932 1.00 72.42 H new ATOM 0 HA GLN A 36 -12.326 -11.252 -1.999 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -14.713 -9.686 -0.958 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -13.079 -9.635 -0.326 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -12.249 -8.633 -2.391 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -13.813 -8.822 -3.159 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -12.255 -6.373 -2.764 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -13.287 -5.285 -1.830 1.00 51.11 H new ATOM 546 N TYR A 37 -13.183 -12.298 0.323 1.00 44.03 N ATOM 547 CA TYR A 37 -13.497 -13.323 1.308 1.00 31.33 C ATOM 548 C TYR A 37 -14.075 -12.740 2.587 1.00 72.14 C ATOM 549 O TYR A 37 -13.556 -11.774 3.148 1.00 73.10 O ATOM 550 CB TYR A 37 -12.262 -14.178 1.610 1.00 65.43 C ATOM 551 CG TYR A 37 -12.070 -15.275 0.589 1.00 23.52 C ATOM 552 CD1 TYR A 37 -13.018 -16.278 0.470 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.972 -15.299 -0.262 1.00 24.31 C ATOM 554 CE1 TYR A 37 -12.882 -17.282 -0.461 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.828 -16.302 -1.202 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.788 -17.290 -1.296 1.00 11.32 C ATOM 557 OH TYR A 37 -11.654 -18.290 -2.230 1.00 0.35 O ATOM 0 H TYR A 37 -12.438 -11.658 0.597 1.00 44.03 H new ATOM 0 HA TYR A 37 -14.268 -13.959 0.873 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -11.377 -13.542 1.630 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.360 -14.619 2.602 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -13.880 -16.272 1.120 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -10.222 -14.525 -0.188 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.629 -18.059 -0.536 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -9.970 -16.313 -1.858 1.00 24.44 H new ATOM 0 HH TYR A 37 -10.829 -18.152 -2.741 1.00 0.35 H new ATOM 567 N SER A 38 -15.162 -13.351 3.028 1.00 71.15 N ATOM 568 CA SER A 38 -15.812 -13.013 4.278 1.00 73.51 C ATOM 569 C SER A 38 -15.929 -14.274 5.131 1.00 12.10 C ATOM 570 O SER A 38 -15.516 -15.350 4.698 1.00 11.10 O ATOM 571 CB SER A 38 -17.192 -12.408 3.995 1.00 52.44 C ATOM 572 OG SER A 38 -17.083 -11.264 3.158 1.00 71.45 O ATOM 0 H SER A 38 -15.622 -14.106 2.519 1.00 71.15 H new ATOM 0 HA SER A 38 -15.224 -12.273 4.822 1.00 73.51 H new ATOM 0 HB2 SER A 38 -17.829 -13.153 3.518 1.00 52.44 H new ATOM 0 HB3 SER A 38 -17.672 -12.132 4.934 1.00 52.44 H new ATOM 0 HG SER A 38 -17.048 -11.547 2.220 1.00 71.45 H new ATOM 578 N VAL A 39 -16.474 -14.157 6.339 1.00 63.03 N ATOM 579 CA VAL A 39 -16.643 -15.317 7.215 1.00 5.30 C ATOM 580 C VAL A 39 -18.066 -15.401 7.756 1.00 14.12 C ATOM 581 O VAL A 39 -18.801 -14.413 7.756 1.00 3.12 O ATOM 582 CB VAL A 39 -15.630 -15.314 8.389 1.00 35.10 C ATOM 583 CG1 VAL A 39 -14.210 -15.546 7.869 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.712 -14.012 9.185 1.00 24.42 C ATOM 0 H VAL A 39 -16.805 -13.277 6.734 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.447 -16.198 6.604 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.889 -16.131 9.063 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.511 -15.541 8.705 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -14.161 -16.509 7.361 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.945 -14.753 7.170 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.990 -14.039 10.002 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -15.488 -13.170 8.530 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.717 -13.897 9.592 1.00 24.42 H new ATOM 594 N TRP A 40 -18.441 -16.593 8.206 1.00 31.10 N ATOM 595 CA TRP A 40 -19.802 -16.876 8.646 1.00 74.31 C ATOM 596 C TRP A 40 -19.777 -18.080 9.585 1.00 25.31 C ATOM 597 O TRP A 40 -18.867 -18.904 9.506 1.00 1.51 O ATOM 598 CB TRP A 40 -20.667 -17.163 7.409 1.00 25.04 C ATOM 599 CG TRP A 40 -22.145 -17.249 7.657 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.901 -18.383 7.735 1.00 73.50 C ATOM 601 CD2 TRP A 40 -23.049 -16.152 7.824 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.218 -18.057 7.933 1.00 4.55 N ATOM 603 CE2 TRP A 40 -24.336 -16.694 7.994 1.00 73.33 C ATOM 604 CE3 TRP A 40 -22.898 -14.762 7.841 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -25.462 -15.898 8.184 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -24.017 -13.972 8.031 1.00 51.14 C ATOM 607 CH2 TRP A 40 -25.285 -14.543 8.199 1.00 71.21 C ATOM 0 H TRP A 40 -17.810 -17.391 8.276 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.223 -16.025 9.182 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.485 -16.381 6.671 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.336 -18.102 6.966 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.518 -19.389 7.653 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -24.986 -18.722 8.021 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -21.925 -14.313 7.708 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -26.441 -16.336 8.315 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -23.912 -12.897 8.050 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -26.140 -13.899 8.343 1.00 71.21 H new ATOM 618 N MET A 41 -20.755 -18.186 10.476 1.00 15.53 N ATOM 619 CA MET A 41 -20.778 -19.284 11.441 1.00 1.22 C ATOM 620 C MET A 41 -21.323 -20.557 10.795 1.00 72.33 C ATOM 621 O MET A 41 -22.329 -20.520 10.082 1.00 71.32 O ATOM 622 CB MET A 41 -21.615 -18.918 12.672 1.00 42.31 C ATOM 623 CG MET A 41 -21.587 -19.981 13.766 1.00 31.15 C ATOM 624 SD MET A 41 -22.525 -19.499 15.230 1.00 32.11 S ATOM 625 CE MET A 41 -22.208 -20.891 16.315 1.00 73.30 C ATOM 0 H MET A 41 -21.536 -17.534 10.553 1.00 15.53 H new ATOM 0 HA MET A 41 -19.753 -19.465 11.764 1.00 1.22 H new ATOM 0 HB2 MET A 41 -21.250 -17.976 13.082 1.00 42.31 H new ATOM 0 HB3 MET A 41 -22.647 -18.753 12.363 1.00 42.31 H new ATOM 0 HG2 MET A 41 -21.991 -20.913 13.371 1.00 31.15 H new ATOM 0 HG3 MET A 41 -20.553 -20.177 14.050 1.00 31.15 H new ATOM 0 HE1 MET A 41 -22.723 -20.738 17.263 1.00 73.30 H new ATOM 0 HE2 MET A 41 -22.571 -21.806 15.848 1.00 73.30 H new ATOM 0 HE3 MET A 41 -21.136 -20.976 16.494 1.00 73.30 H new ATOM 635 N ASP A 42 -20.652 -21.677 11.049 1.00 51.30 N ATOM 636 CA ASP A 42 -21.055 -22.967 10.491 1.00 11.42 C ATOM 637 C ASP A 42 -22.371 -23.431 11.111 1.00 34.45 C ATOM 638 O ASP A 42 -22.563 -23.331 12.325 1.00 34.15 O ATOM 639 CB ASP A 42 -19.965 -24.022 10.724 1.00 70.44 C ATOM 640 CG ASP A 42 -20.394 -25.413 10.281 1.00 62.11 C ATOM 641 OD1 ASP A 42 -20.510 -25.643 9.060 1.00 14.52 O ATOM 642 OD2 ASP A 42 -20.616 -26.284 11.151 1.00 62.33 O ATOM 0 H ASP A 42 -19.822 -21.718 11.641 1.00 51.30 H new ATOM 0 HA ASP A 42 -21.197 -22.842 9.417 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -19.064 -23.734 10.183 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -19.707 -24.045 11.783 1.00 70.44 H new ATOM 647 N GLY A 43 -23.271 -23.935 10.270 1.00 43.50 N ATOM 648 CA GLY A 43 -24.577 -24.377 10.731 1.00 3.14 C ATOM 649 C GLY A 43 -25.620 -23.282 10.627 1.00 31.24 C ATOM 650 O GLY A 43 -26.801 -23.505 10.905 1.00 3.04 O ATOM 0 H GLY A 43 -23.117 -24.046 9.268 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -24.896 -25.238 10.143 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -24.502 -24.708 11.767 1.00 3.14 H new ATOM 654 N ARG A 44 -25.179 -22.097 10.217 1.00 4.12 N ATOM 655 CA ARG A 44 -26.059 -20.944 10.063 1.00 32.44 C ATOM 656 C ARG A 44 -26.362 -20.721 8.581 1.00 64.22 C ATOM 657 O ARG A 44 -25.447 -20.650 7.760 1.00 52.23 O ATOM 658 CB ARG A 44 -25.394 -19.706 10.677 1.00 0.23 C ATOM 659 CG ARG A 44 -26.282 -18.467 10.722 1.00 25.34 C ATOM 660 CD ARG A 44 -25.595 -17.328 11.466 1.00 30.41 C ATOM 661 NE ARG A 44 -26.439 -16.135 11.569 1.00 65.32 N ATOM 662 CZ ARG A 44 -26.437 -15.307 12.616 1.00 41.11 C ATOM 663 NH1 ARG A 44 -25.682 -15.573 13.677 1.00 33.33 N ATOM 664 NH2 ARG A 44 -27.208 -14.229 12.615 1.00 23.54 N ATOM 0 H ARG A 44 -24.204 -21.909 9.983 1.00 4.12 H new ATOM 0 HA ARG A 44 -27.000 -21.126 10.583 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -25.075 -19.946 11.691 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -24.495 -19.472 10.107 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -26.522 -18.150 9.707 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -27.225 -18.709 11.212 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -25.323 -17.664 12.467 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -24.668 -17.070 10.953 1.00 30.41 H new ATOM 0 HE ARG A 44 -27.067 -15.924 10.793 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -25.102 -16.412 13.693 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -25.683 -14.938 14.475 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -27.805 -14.030 11.813 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -27.204 -13.598 13.417 1.00 23.54 H new ATOM 678 N SER A 45 -27.643 -20.616 8.252 1.00 20.53 N ATOM 679 CA SER A 45 -28.093 -20.510 6.866 1.00 5.15 C ATOM 680 C SER A 45 -27.613 -19.216 6.204 1.00 72.32 C ATOM 681 O SER A 45 -27.312 -18.229 6.878 1.00 4.10 O ATOM 682 CB SER A 45 -29.622 -20.593 6.820 1.00 43.33 C ATOM 683 OG SER A 45 -30.091 -21.734 7.523 1.00 24.12 O ATOM 0 H SER A 45 -28.400 -20.602 8.936 1.00 20.53 H new ATOM 0 HA SER A 45 -27.659 -21.338 6.306 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.052 -19.691 7.255 1.00 43.33 H new ATOM 0 HB3 SER A 45 -29.956 -20.637 5.783 1.00 43.33 H new ATOM 0 HG SER A 45 -31.070 -21.765 7.481 1.00 24.12 H new ATOM 689 N LEU A 46 -27.545 -19.244 4.875 1.00 30.11 N ATOM 690 CA LEU A 46 -27.102 -18.113 4.079 1.00 41.30 C ATOM 691 C LEU A 46 -28.164 -17.738 3.048 1.00 52.25 C ATOM 692 O LEU A 46 -28.804 -18.614 2.464 1.00 65.25 O ATOM 693 CB LEU A 46 -25.788 -18.456 3.363 1.00 31.30 C ATOM 694 CG LEU A 46 -24.511 -18.270 4.192 1.00 40.51 C ATOM 695 CD1 LEU A 46 -23.303 -18.806 3.437 1.00 14.34 C ATOM 696 CD2 LEU A 46 -24.305 -16.796 4.540 1.00 11.43 C ATOM 0 H LEU A 46 -27.799 -20.061 4.320 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.940 -17.265 4.744 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.836 -19.493 3.032 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.711 -17.839 2.468 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.621 -18.833 5.119 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -22.406 -18.666 4.040 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -23.442 -19.868 3.235 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -23.195 -18.268 2.495 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.394 -16.685 5.128 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.218 -16.214 3.622 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -25.156 -16.436 5.118 1.00 11.43 H new ATOM 708 N PRO A 47 -28.386 -16.431 2.841 1.00 40.22 N ATOM 709 CA PRO A 47 -29.263 -15.929 1.772 1.00 35.22 C ATOM 710 C PRO A 47 -28.847 -16.470 0.400 1.00 3.22 C ATOM 711 O PRO A 47 -27.649 -16.598 0.110 1.00 43.43 O ATOM 712 CB PRO A 47 -29.065 -14.405 1.826 1.00 55.23 C ATOM 713 CG PRO A 47 -28.577 -14.123 3.208 1.00 33.22 C ATOM 714 CD PRO A 47 -27.798 -15.340 3.637 1.00 72.34 C ATOM 0 HA PRO A 47 -30.299 -16.238 1.911 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -28.344 -14.075 1.079 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -29.998 -13.879 1.623 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -27.948 -13.233 3.224 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -29.411 -13.937 3.885 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.733 -15.226 3.434 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -27.901 -15.524 4.706 1.00 72.34 H new ATOM 722 N ALA A 48 -29.834 -16.791 -0.437 1.00 24.10 N ATOM 723 CA ALA A 48 -29.569 -17.297 -1.779 1.00 45.31 C ATOM 724 C ALA A 48 -28.635 -16.351 -2.531 1.00 10.30 C ATOM 725 O ALA A 48 -28.890 -15.146 -2.617 1.00 50.42 O ATOM 726 CB ALA A 48 -30.872 -17.495 -2.545 1.00 71.43 C ATOM 0 H ALA A 48 -30.824 -16.709 -0.207 1.00 24.10 H new ATOM 0 HA ALA A 48 -29.077 -18.266 -1.692 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.653 -17.873 -3.544 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.500 -18.211 -2.016 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -31.396 -16.542 -2.624 1.00 71.43 H new ATOM 732 N GLY A 49 -27.559 -16.906 -3.071 1.00 61.20 N ATOM 733 CA GLY A 49 -26.531 -16.105 -3.708 1.00 60.31 C ATOM 734 C GLY A 49 -25.212 -16.205 -2.971 1.00 71.01 C ATOM 735 O GLY A 49 -24.146 -16.191 -3.588 1.00 13.20 O ATOM 0 H GLY A 49 -27.378 -17.910 -3.079 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -26.399 -16.434 -4.739 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.850 -15.063 -3.744 1.00 60.31 H new ATOM 739 N TRP A 50 -25.284 -16.324 -1.648 1.00 52.24 N ATOM 740 CA TRP A 50 -24.089 -16.486 -0.824 1.00 31.12 C ATOM 741 C TRP A 50 -23.593 -17.927 -0.902 1.00 32.34 C ATOM 742 O TRP A 50 -24.399 -18.859 -0.960 1.00 34.24 O ATOM 743 CB TRP A 50 -24.386 -16.106 0.632 1.00 51.44 C ATOM 744 CG TRP A 50 -24.623 -14.637 0.833 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.688 -13.905 0.386 1.00 43.21 C ATOM 746 CD2 TRP A 50 -23.773 -13.718 1.534 1.00 52.50 C ATOM 747 NE1 TRP A 50 -25.550 -12.590 0.762 1.00 1.04 N ATOM 748 CE2 TRP A 50 -24.383 -12.450 1.466 1.00 0.44 C ATOM 749 CE3 TRP A 50 -22.558 -13.846 2.211 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -23.815 -11.319 2.050 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -21.995 -12.722 2.790 1.00 43.03 C ATOM 752 CH2 TRP A 50 -22.624 -11.473 2.706 1.00 53.43 C ATOM 0 H TRP A 50 -26.158 -16.311 -1.123 1.00 52.24 H new ATOM 0 HA TRP A 50 -23.311 -15.823 -1.202 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -25.263 -16.657 0.971 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.551 -16.420 1.258 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.517 -14.302 -0.180 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -26.209 -11.841 0.551 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -22.067 -14.805 2.281 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -24.298 -10.355 1.987 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -21.055 -12.809 3.315 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -22.160 -10.614 3.168 1.00 53.43 H new ATOM 763 N GLU A 51 -22.274 -18.111 -0.910 1.00 31.52 N ATOM 764 CA GLU A 51 -21.687 -19.448 -0.981 1.00 65.54 C ATOM 765 C GLU A 51 -20.642 -19.627 0.117 1.00 44.41 C ATOM 766 O GLU A 51 -20.022 -18.649 0.571 1.00 23.22 O ATOM 767 CB GLU A 51 -21.053 -19.698 -2.360 1.00 21.21 C ATOM 768 CG GLU A 51 -19.819 -18.850 -2.628 1.00 31.04 C ATOM 769 CD GLU A 51 -19.292 -18.992 -4.049 1.00 61.44 C ATOM 770 OE1 GLU A 51 -19.832 -18.329 -4.957 1.00 2.31 O ATOM 771 OE2 GLU A 51 -18.319 -19.746 -4.262 1.00 74.23 O ATOM 0 H GLU A 51 -21.593 -17.353 -0.868 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.485 -20.176 -0.834 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.784 -20.751 -2.441 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.795 -19.498 -3.133 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -20.057 -17.803 -2.438 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -19.034 -19.131 -1.926 1.00 31.04 H new ATOM 778 N THR A 52 -20.456 -20.883 0.521 1.00 32.54 N ATOM 779 CA THR A 52 -19.527 -21.247 1.583 1.00 63.35 C ATOM 780 C THR A 52 -18.222 -21.798 1.002 1.00 21.15 C ATOM 781 O THR A 52 -18.201 -22.346 -0.106 1.00 10.23 O ATOM 782 CB THR A 52 -20.157 -22.288 2.547 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.818 -23.318 1.799 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.153 -21.636 3.500 1.00 41.04 C ATOM 0 H THR A 52 -20.950 -21.679 0.117 1.00 32.54 H new ATOM 0 HA THR A 52 -19.305 -20.342 2.148 1.00 63.35 H new ATOM 0 HB THR A 52 -19.349 -22.721 3.137 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.210 -23.970 2.416 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.575 -22.394 4.160 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.644 -20.878 4.096 1.00 41.04 H new ATOM 0 HG23 THR A 52 -21.953 -21.169 2.926 1.00 41.04 H new ATOM 792 N VAL A 53 -17.154 -21.662 1.778 1.00 23.41 N ATOM 793 CA VAL A 53 -15.788 -21.979 1.363 1.00 22.34 C ATOM 794 C VAL A 53 -14.903 -22.106 2.603 1.00 44.25 C ATOM 795 O VAL A 53 -15.334 -21.788 3.718 1.00 74.21 O ATOM 796 CB VAL A 53 -15.188 -20.890 0.414 1.00 51.30 C ATOM 797 CG1 VAL A 53 -15.558 -21.164 -1.041 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.649 -19.492 0.816 1.00 31.43 C ATOM 0 H VAL A 53 -17.212 -21.320 2.737 1.00 23.41 H new ATOM 0 HA VAL A 53 -15.820 -22.918 0.811 1.00 22.34 H new ATOM 0 HB VAL A 53 -14.103 -20.937 0.511 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -15.127 -20.391 -1.678 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -15.169 -22.138 -1.338 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -16.643 -21.159 -1.148 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -15.215 -18.757 0.138 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.736 -19.438 0.763 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -15.325 -19.281 1.835 1.00 31.43 H new ATOM 808 N GLY A 54 -13.674 -22.570 2.414 1.00 3.04 N ATOM 809 CA GLY A 54 -12.744 -22.672 3.519 1.00 22.23 C ATOM 810 C GLY A 54 -12.783 -24.032 4.187 1.00 33.01 C ATOM 811 O GLY A 54 -13.037 -25.048 3.536 1.00 72.20 O ATOM 0 H GLY A 54 -13.306 -22.877 1.514 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -11.734 -22.477 3.159 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.974 -21.902 4.256 1.00 22.23 H new ATOM 815 N GLU A 55 -12.532 -24.039 5.485 1.00 4.43 N ATOM 816 CA GLU A 55 -12.503 -25.259 6.284 1.00 31.03 C ATOM 817 C GLU A 55 -13.037 -24.928 7.676 1.00 24.14 C ATOM 818 O GLU A 55 -12.634 -23.918 8.258 1.00 23.13 O ATOM 819 CB GLU A 55 -11.067 -25.798 6.348 1.00 24.22 C ATOM 820 CG GLU A 55 -10.913 -27.129 7.073 1.00 31.31 C ATOM 821 CD GLU A 55 -9.498 -27.675 6.970 1.00 15.13 C ATOM 822 OE1 GLU A 55 -8.660 -27.348 7.838 1.00 72.41 O ATOM 823 OE2 GLU A 55 -9.207 -28.413 6.006 1.00 54.04 O ATOM 0 H GLU A 55 -12.341 -23.193 6.021 1.00 4.43 H new ATOM 0 HA GLU A 55 -13.127 -26.033 5.837 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -10.691 -25.909 5.331 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -10.438 -25.057 6.842 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -11.177 -27.002 8.123 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -11.612 -27.853 6.654 1.00 31.31 H new ATOM 830 N PRO A 56 -13.958 -25.746 8.227 1.00 15.13 N ATOM 831 CA PRO A 56 -14.660 -25.398 9.465 1.00 1.52 C ATOM 832 C PRO A 56 -13.710 -25.268 10.658 1.00 72.40 C ATOM 833 O PRO A 56 -12.987 -26.207 11.007 1.00 53.12 O ATOM 834 CB PRO A 56 -15.659 -26.547 9.655 1.00 31.21 C ATOM 835 CG PRO A 56 -15.100 -27.688 8.874 1.00 3.01 C ATOM 836 CD PRO A 56 -14.371 -27.071 7.713 1.00 64.45 C ATOM 0 HA PRO A 56 -15.145 -24.424 9.402 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -15.765 -26.806 10.708 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -16.650 -26.271 9.294 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -14.425 -28.287 9.485 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -15.893 -28.352 8.530 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -13.511 -27.671 7.414 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -15.015 -26.979 6.838 1.00 64.45 H new ATOM 844 N ALA A 57 -13.728 -24.094 11.278 1.00 33.55 N ATOM 845 CA ALA A 57 -12.823 -23.766 12.377 1.00 55.44 C ATOM 846 C ALA A 57 -13.281 -22.475 13.039 1.00 31.23 C ATOM 847 O ALA A 57 -14.028 -21.709 12.434 1.00 52.10 O ATOM 848 CB ALA A 57 -11.385 -23.627 11.876 1.00 52.45 C ATOM 0 H ALA A 57 -14.371 -23.341 11.034 1.00 33.55 H new ATOM 0 HA ALA A 57 -12.846 -24.575 13.107 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -10.730 -23.383 12.713 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.064 -24.567 11.426 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.334 -22.833 11.131 1.00 52.45 H new ATOM 854 N THR A 58 -12.837 -22.231 14.269 1.00 61.34 N ATOM 855 CA THR A 58 -13.247 -21.034 15.005 1.00 41.54 C ATOM 856 C THR A 58 -12.933 -19.766 14.212 1.00 53.23 C ATOM 857 O THR A 58 -12.028 -19.757 13.371 1.00 72.34 O ATOM 858 CB THR A 58 -12.579 -20.953 16.398 1.00 32.00 C ATOM 859 OG1 THR A 58 -12.932 -19.720 17.043 1.00 12.31 O ATOM 860 CG2 THR A 58 -11.060 -21.062 16.302 1.00 4.31 C ATOM 0 H THR A 58 -12.197 -22.841 14.777 1.00 61.34 H new ATOM 0 HA THR A 58 -14.325 -21.110 15.148 1.00 41.54 H new ATOM 0 HB THR A 58 -12.943 -21.795 16.987 1.00 32.00 H new ATOM 0 HG1 THR A 58 -12.506 -19.678 17.925 1.00 12.31 H new ATOM 0 HG21 THR A 58 -10.627 -21.001 17.300 1.00 4.31 H new ATOM 0 HG22 THR A 58 -10.792 -22.016 15.848 1.00 4.31 H new ATOM 0 HG23 THR A 58 -10.675 -20.247 15.689 1.00 4.31 H new ATOM 868 N LYS A 59 -13.683 -18.700 14.495 1.00 20.01 N ATOM 869 CA LYS A 59 -13.541 -17.429 13.788 1.00 44.32 C ATOM 870 C LYS A 59 -12.077 -17.002 13.725 1.00 75.31 C ATOM 871 O LYS A 59 -11.602 -16.526 12.693 1.00 55.41 O ATOM 872 CB LYS A 59 -14.374 -16.342 14.480 1.00 22.43 C ATOM 873 CG LYS A 59 -14.302 -14.981 13.796 1.00 75.31 C ATOM 874 CD LYS A 59 -15.137 -13.933 14.529 1.00 22.03 C ATOM 875 CE LYS A 59 -15.082 -12.575 13.840 1.00 60.14 C ATOM 876 NZ LYS A 59 -15.890 -11.555 14.560 1.00 44.44 N ATOM 0 H LYS A 59 -14.403 -18.694 15.218 1.00 20.01 H new ATOM 0 HA LYS A 59 -13.905 -17.564 12.769 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -15.415 -16.664 14.518 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -14.034 -16.238 15.511 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -13.264 -14.652 13.750 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -14.653 -15.072 12.768 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -16.172 -14.269 14.585 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -14.777 -13.835 15.553 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -14.046 -12.241 13.779 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -15.447 -12.672 12.817 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -15.827 -10.645 14.060 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -16.883 -11.861 14.597 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -15.526 -11.444 15.528 1.00 44.44 H new ATOM 890 N GLN A 60 -11.375 -17.202 14.836 1.00 12.52 N ATOM 891 CA GLN A 60 -9.951 -16.877 14.942 1.00 60.11 C ATOM 892 C GLN A 60 -9.151 -17.550 13.821 1.00 73.42 C ATOM 893 O GLN A 60 -8.344 -16.911 13.148 1.00 12.21 O ATOM 894 CB GLN A 60 -9.427 -17.326 16.314 1.00 71.20 C ATOM 895 CG GLN A 60 -7.958 -17.003 16.565 1.00 21.32 C ATOM 896 CD GLN A 60 -7.461 -17.481 17.925 1.00 4.32 C ATOM 897 OE1 GLN A 60 -6.285 -17.810 18.085 1.00 72.30 O ATOM 898 NE2 GLN A 60 -8.346 -17.517 18.911 1.00 42.31 N ATOM 0 H GLN A 60 -11.774 -17.593 15.689 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.827 -15.799 14.841 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -10.028 -16.854 17.091 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -9.571 -18.402 16.410 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -7.353 -17.462 15.783 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -7.812 -15.925 16.490 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -9.312 -17.237 18.740 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -8.061 -17.825 19.841 1.00 42.31 H new ATOM 907 N GLN A 61 -9.393 -18.838 13.629 1.00 11.51 N ATOM 908 CA GLN A 61 -8.696 -19.615 12.607 1.00 25.23 C ATOM 909 C GLN A 61 -9.226 -19.277 11.213 1.00 25.12 C ATOM 910 O GLN A 61 -8.494 -19.344 10.223 1.00 72.45 O ATOM 911 CB GLN A 61 -8.849 -21.115 12.894 1.00 32.13 C ATOM 912 CG GLN A 61 -8.288 -21.532 14.251 1.00 4.10 C ATOM 913 CD GLN A 61 -6.785 -21.341 14.357 1.00 71.32 C ATOM 914 OE1 GLN A 61 -6.304 -20.268 14.720 1.00 3.32 O ATOM 915 NE2 GLN A 61 -6.037 -22.390 14.059 1.00 15.31 N ATOM 0 H GLN A 61 -10.072 -19.373 14.171 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.637 -19.358 12.636 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -9.905 -21.380 12.849 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -8.344 -21.681 12.111 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -8.778 -20.953 15.034 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -8.529 -22.580 14.431 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -6.476 -23.261 13.762 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -5.021 -22.328 14.126 1.00 15.31 H new ATOM 924 N CYS A 62 -10.503 -18.909 11.150 1.00 12.43 N ATOM 925 CA CYS A 62 -11.160 -18.606 9.879 1.00 63.15 C ATOM 926 C CYS A 62 -10.557 -17.349 9.245 1.00 45.14 C ATOM 927 O CYS A 62 -10.156 -17.368 8.077 1.00 24.33 O ATOM 928 CB CYS A 62 -12.672 -18.438 10.087 1.00 43.44 C ATOM 929 SG CYS A 62 -13.635 -18.464 8.558 1.00 5.43 S ATOM 0 H CYS A 62 -11.106 -18.813 11.967 1.00 12.43 H new ATOM 0 HA CYS A 62 -10.996 -19.441 9.197 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.028 -19.233 10.742 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -12.854 -17.495 10.603 1.00 43.44 H new ATOM 0 HG CYS A 62 -14.896 -18.602 8.842 1.00 5.43 H new ATOM 935 N LEU A 63 -10.466 -16.261 10.019 1.00 32.10 N ATOM 936 CA LEU A 63 -9.868 -15.023 9.513 1.00 54.21 C ATOM 937 C LEU A 63 -8.398 -15.242 9.188 1.00 45.12 C ATOM 938 O LEU A 63 -7.889 -14.734 8.194 1.00 0.30 O ATOM 939 CB LEU A 63 -10.050 -13.842 10.494 1.00 51.43 C ATOM 940 CG LEU A 63 -9.773 -14.125 11.987 1.00 12.23 C ATOM 941 CD1 LEU A 63 -8.290 -13.995 12.313 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.597 -13.195 12.876 1.00 43.32 C ATOM 0 H LEU A 63 -10.794 -16.213 10.984 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.394 -14.754 8.597 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.394 -13.032 10.175 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.074 -13.479 10.402 1.00 51.43 H new ATOM 0 HG LEU A 63 -10.071 -15.154 12.187 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -8.131 -14.201 13.372 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.722 -14.708 11.715 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -7.955 -12.983 12.086 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -10.386 -13.412 13.923 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.335 -12.159 12.660 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.658 -13.350 12.680 1.00 43.32 H new ATOM 954 N GLN A 64 -7.734 -16.029 10.021 1.00 23.35 N ATOM 955 CA GLN A 64 -6.345 -16.387 9.792 1.00 61.05 C ATOM 956 C GLN A 64 -6.196 -17.090 8.445 1.00 42.03 C ATOM 957 O GLN A 64 -5.295 -16.787 7.665 1.00 43.03 O ATOM 958 CB GLN A 64 -5.846 -17.284 10.931 1.00 61.12 C ATOM 959 CG GLN A 64 -4.475 -17.901 10.688 1.00 33.54 C ATOM 960 CD GLN A 64 -3.974 -18.679 11.888 1.00 74.01 C ATOM 961 OE1 GLN A 64 -3.261 -18.148 12.734 1.00 25.14 O ATOM 962 NE2 GLN A 64 -4.365 -19.943 11.983 1.00 60.21 N ATOM 0 H GLN A 64 -8.139 -16.433 10.866 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.740 -15.480 9.771 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -5.810 -16.699 11.850 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.569 -18.084 11.091 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.525 -18.563 9.824 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.762 -17.113 10.445 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -4.958 -20.349 11.259 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -4.073 -20.509 12.780 1.00 60.21 H new ATOM 971 N ARG A 65 -7.116 -18.002 8.159 1.00 40.34 N ATOM 972 CA ARG A 65 -7.023 -18.825 6.962 1.00 13.52 C ATOM 973 C ARG A 65 -7.073 -17.968 5.698 1.00 14.24 C ATOM 974 O ARG A 65 -6.300 -18.190 4.765 1.00 44.41 O ATOM 975 CB ARG A 65 -8.133 -19.887 6.947 1.00 2.22 C ATOM 976 CG ARG A 65 -8.012 -20.881 5.791 1.00 23.32 C ATOM 977 CD ARG A 65 -8.724 -22.196 6.089 1.00 54.45 C ATOM 978 NE ARG A 65 -8.159 -23.309 5.316 1.00 65.22 N ATOM 979 CZ ARG A 65 -7.901 -24.518 5.826 1.00 14.34 C ATOM 980 NH1 ARG A 65 -8.151 -24.765 7.108 1.00 74.43 N ATOM 981 NH2 ARG A 65 -7.382 -25.469 5.060 1.00 73.25 N ATOM 0 H ARG A 65 -7.934 -18.190 8.739 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.060 -19.336 6.979 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.114 -20.434 7.889 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.101 -19.389 6.887 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.432 -20.439 4.888 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -6.959 -21.077 5.590 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -8.648 -22.417 7.154 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -9.785 -22.095 5.859 1.00 54.45 H new ATOM 0 HE ARG A 65 -7.951 -23.150 4.330 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -8.539 -24.033 7.702 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -7.954 -25.687 7.498 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -7.178 -25.279 4.079 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -7.187 -26.390 5.452 1.00 73.25 H new ATOM 995 N ILE A 66 -7.981 -16.992 5.673 1.00 5.32 N ATOM 996 CA ILE A 66 -8.128 -16.110 4.513 1.00 74.32 C ATOM 997 C ILE A 66 -6.991 -15.084 4.429 1.00 34.13 C ATOM 998 O ILE A 66 -6.505 -14.779 3.333 1.00 70.50 O ATOM 999 CB ILE A 66 -9.500 -15.382 4.505 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.745 -14.645 5.830 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.621 -16.379 4.225 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -11.009 -13.808 5.843 1.00 42.21 C ATOM 0 H ILE A 66 -8.624 -16.792 6.439 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.078 -16.753 3.634 1.00 74.32 H new ATOM 0 HB ILE A 66 -9.488 -14.636 3.710 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.797 -15.376 6.637 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -8.892 -14.000 6.039 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.579 -15.858 4.222 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -10.458 -16.846 3.254 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.628 -17.146 5.000 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -11.112 -13.319 6.812 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -10.953 -13.052 5.060 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -11.872 -14.450 5.667 1.00 42.21 H new ATOM 1014 N GLU A 67 -6.557 -14.563 5.577 1.00 53.30 N ATOM 1015 CA GLU A 67 -5.515 -13.537 5.600 1.00 71.01 C ATOM 1016 C GLU A 67 -4.193 -14.082 5.063 1.00 51.43 C ATOM 1017 O GLU A 67 -3.513 -13.412 4.286 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.323 -12.968 7.012 1.00 61.10 C ATOM 1019 CG GLU A 67 -6.514 -12.159 7.519 1.00 14.42 C ATOM 1020 CD GLU A 67 -6.903 -11.027 6.580 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -6.211 -9.988 6.569 1.00 43.23 O ATOM 1022 OE2 GLU A 67 -7.908 -11.165 5.849 1.00 24.22 O ATOM 0 H GLU A 67 -6.908 -14.832 6.496 1.00 53.30 H new ATOM 0 HA GLU A 67 -5.843 -12.727 4.948 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -5.134 -13.790 7.702 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -4.436 -12.335 7.021 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -7.368 -12.823 7.652 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -6.275 -11.746 8.499 1.00 14.42 H new ATOM 1029 N GLN A 68 -3.848 -15.311 5.443 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.597 -15.930 4.998 1.00 35.25 C ATOM 1031 C GLN A 68 -2.683 -16.359 3.523 1.00 3.20 C ATOM 1032 O GLN A 68 -1.790 -17.036 3.004 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.249 -17.135 5.886 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.277 -16.821 7.379 1.00 72.43 C ATOM 1035 CD GLN A 68 -1.757 -17.953 8.250 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -1.796 -19.127 7.868 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -1.302 -17.611 9.445 1.00 13.54 N ATOM 0 H GLN A 68 -4.414 -15.898 6.056 1.00 2.11 H new ATOM 0 HA GLN A 68 -1.804 -15.187 5.087 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -2.951 -17.943 5.680 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.257 -17.499 5.618 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -1.681 -15.928 7.565 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -3.300 -16.588 7.673 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -1.286 -16.630 9.723 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -0.967 -18.329 10.088 1.00 13.54 H new ATOM 1046 N LEU A 69 -3.769 -15.969 2.857 1.00 70.13 N ATOM 1047 CA LEU A 69 -3.955 -16.234 1.428 1.00 22.31 C ATOM 1048 C LEU A 69 -3.703 -14.971 0.602 1.00 33.43 C ATOM 1049 O LEU A 69 -2.767 -14.912 -0.194 1.00 63.24 O ATOM 1050 CB LEU A 69 -5.373 -16.764 1.153 1.00 23.42 C ATOM 1051 CG LEU A 69 -5.670 -18.172 1.692 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -7.134 -18.545 1.452 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -4.735 -19.199 1.054 1.00 42.22 C ATOM 0 H LEU A 69 -4.542 -15.463 3.289 1.00 70.13 H new ATOM 0 HA LEU A 69 -3.232 -16.994 1.133 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -6.092 -16.069 1.587 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -5.539 -16.764 0.076 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.493 -18.173 2.768 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -7.323 -19.546 1.841 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -7.780 -17.830 1.961 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -7.344 -18.526 0.383 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -4.960 -20.190 1.448 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -4.876 -19.197 -0.027 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -3.701 -18.943 1.285 1.00 42.22 H new ATOM 1065 N TRP A 70 -4.571 -13.975 0.789 1.00 4.00 N ATOM 1066 CA TRP A 70 -4.508 -12.719 0.035 1.00 33.32 C ATOM 1067 C TRP A 70 -3.548 -11.726 0.696 1.00 14.11 C ATOM 1068 O TRP A 70 -2.636 -11.191 0.052 1.00 5.44 O ATOM 1069 CB TRP A 70 -5.915 -12.106 -0.076 1.00 44.12 C ATOM 1070 CG TRP A 70 -5.958 -10.801 -0.820 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -6.028 -9.548 -0.276 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -5.934 -10.621 -2.243 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -6.049 -8.603 -1.274 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -5.992 -9.236 -2.489 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -5.867 -11.496 -3.332 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -5.989 -8.707 -3.777 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -5.864 -10.970 -4.611 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -5.924 -9.586 -4.824 1.00 22.44 C ATOM 0 H TRP A 70 -5.335 -14.014 1.464 1.00 4.00 H new ATOM 0 HA TRP A 70 -4.130 -12.937 -0.964 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -6.572 -12.818 -0.575 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -6.314 -11.954 0.927 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -6.062 -9.333 0.782 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -6.099 -7.594 -1.133 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -5.818 -12.564 -3.177 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -6.036 -7.641 -3.944 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -5.815 -11.636 -5.459 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -5.919 -9.206 -5.835 1.00 22.44 H new ATOM 1089 N THR A 71 -3.769 -11.491 1.982 1.00 54.12 N ATOM 1090 CA THR A 71 -2.995 -10.530 2.762 1.00 14.01 C ATOM 1091 C THR A 71 -1.603 -11.081 3.090 1.00 15.51 C ATOM 1092 O THR A 71 -0.734 -10.349 3.566 1.00 20.13 O ATOM 1093 CB THR A 71 -3.737 -10.179 4.071 1.00 13.44 C ATOM 1094 OG1 THR A 71 -5.122 -9.931 3.790 1.00 21.02 O ATOM 1095 CG2 THR A 71 -3.132 -8.952 4.745 1.00 55.35 C ATOM 0 H THR A 71 -4.495 -11.964 2.519 1.00 54.12 H new ATOM 0 HA THR A 71 -2.878 -9.628 2.161 1.00 14.01 H new ATOM 0 HB THR A 71 -3.637 -11.026 4.750 1.00 13.44 H new ATOM 0 HG1 THR A 71 -5.613 -9.826 4.632 1.00 21.02 H new ATOM 0 HG21 THR A 71 -3.679 -8.734 5.662 1.00 55.35 H new ATOM 0 HG22 THR A 71 -2.086 -9.146 4.983 1.00 55.35 H new ATOM 0 HG23 THR A 71 -3.198 -8.097 4.072 1.00 55.35 H new ATOM 1103 N ASP A 72 -1.418 -12.383 2.843 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.204 -13.111 3.232 1.00 73.31 C ATOM 1105 C ASP A 72 1.072 -12.315 2.942 1.00 64.32 C ATOM 1106 O ASP A 72 2.053 -12.402 3.690 1.00 42.51 O ATOM 1107 CB ASP A 72 -0.127 -14.466 2.518 1.00 14.44 C ATOM 1108 CG ASP A 72 0.343 -14.382 1.069 1.00 72.24 C ATOM 1109 OD1 ASP A 72 -0.214 -13.580 0.295 1.00 33.45 O ATOM 1110 OD2 ASP A 72 1.268 -15.139 0.696 1.00 35.04 O ATOM 0 H ASP A 72 -2.108 -12.963 2.366 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.270 -13.266 4.309 1.00 73.31 H new ATOM 0 HB2 ASP A 72 0.550 -15.118 3.071 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -1.111 -14.934 2.543 1.00 14.44 H new