USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 GLN : amide:sc= -1.81 K(o=-0.88,f=-4.6) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -125:sc= 0.932 (180deg=0) USER MOD Set 2.1: A 37 GLN : amide:sc= 0.059 K(o=1.1,f=-6.4!) USER MOD Set 2.2: A 51 TYR OH : rot -31:sc= 0.426 USER MOD Set 2.3: A 58 SER OG : rot -88:sc= 0.652 USER MOD Set 3.1: A 28 HIS :FLIP no HD1:sc= 0.68 F(o=-0.87,f=1.5) USER MOD Set 3.2: A 31 LYS NZ :NH3+ 158:sc= 0.787 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= -0.208 (180deg=-0.7) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 147:sc= -0.78 (180deg=-3.23!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.804 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0369 F(o=-1.9!,f=-0.037) USER MOD Single : A 39 LYS NZ :NH3+ -122:sc= -0.27 (180deg=-1.71!) USER MOD Single : A 41 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.0094) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.199 X(o=-0.2,f=0.11) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -2.3 K(o=-2.3,f=-5.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0.0111 (180deg=0.00897) USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0276) USER MOD ----------------------------------------------------------------- ATOM 238 N LEU A 16 -19.880 -12.475 -10.603 1.00 10.43 N ATOM 239 CA LEU A 16 -21.024 -12.488 -11.507 1.00 75.42 C ATOM 240 C LEU A 16 -22.197 -11.714 -10.914 1.00 31.44 C ATOM 241 O LEU A 16 -22.845 -10.923 -11.600 1.00 65.51 O ATOM 242 CB LEU A 16 -21.447 -13.928 -11.805 1.00 32.15 C ATOM 243 CG LEU A 16 -21.200 -14.419 -13.231 1.00 63.33 C ATOM 244 CD1 LEU A 16 -19.714 -14.387 -13.557 1.00 15.31 C ATOM 245 CD2 LEU A 16 -21.757 -15.823 -13.416 1.00 54.04 C ATOM 0 HA LEU A 16 -20.726 -12.003 -12.437 1.00 75.42 H new ATOM 0 HB2 LEU A 16 -20.920 -14.590 -11.118 1.00 32.15 H new ATOM 0 HB3 LEU A 16 -22.511 -14.025 -11.588 1.00 32.15 H new ATOM 0 HG LEU A 16 -21.717 -13.750 -13.919 1.00 63.33 H new ATOM 0 HD11 LEU A 16 -19.557 -14.740 -14.576 1.00 15.31 H new ATOM 0 HD12 LEU A 16 -19.343 -13.366 -13.466 1.00 15.31 H new ATOM 0 HD13 LEU A 16 -19.175 -15.032 -12.863 1.00 15.31 H new ATOM 0 HD21 LEU A 16 -21.572 -16.156 -14.437 1.00 54.04 H new ATOM 0 HD22 LEU A 16 -21.268 -16.503 -12.718 1.00 54.04 H new ATOM 0 HD23 LEU A 16 -22.830 -15.817 -13.225 1.00 54.04 H new ATOM 257 N LYS A 17 -22.464 -11.946 -9.633 1.00 13.22 N ATOM 258 CA LYS A 17 -23.556 -11.268 -8.944 1.00 34.40 C ATOM 259 C LYS A 17 -23.422 -9.754 -9.068 1.00 61.12 C ATOM 260 O LYS A 17 -24.419 -9.037 -9.155 1.00 2.34 O ATOM 261 CB LYS A 17 -23.582 -11.669 -7.467 1.00 60.33 C ATOM 262 CG LYS A 17 -24.802 -12.487 -7.080 1.00 12.40 C ATOM 263 CD LYS A 17 -24.597 -13.965 -7.366 1.00 51.22 C ATOM 264 CE LYS A 17 -25.296 -14.835 -6.333 1.00 1.23 C ATOM 265 NZ LYS A 17 -24.746 -14.622 -4.965 1.00 41.13 N ATOM 0 H LYS A 17 -21.939 -12.599 -9.051 1.00 13.22 H new ATOM 0 HA LYS A 17 -24.492 -11.572 -9.413 1.00 34.40 H new ATOM 0 HB2 LYS A 17 -22.683 -12.242 -7.239 1.00 60.33 H new ATOM 0 HB3 LYS A 17 -23.550 -10.768 -6.854 1.00 60.33 H new ATOM 0 HG2 LYS A 17 -25.014 -12.347 -6.020 1.00 12.40 H new ATOM 0 HG3 LYS A 17 -25.672 -12.127 -7.629 1.00 12.40 H new ATOM 0 HD2 LYS A 17 -24.978 -14.201 -8.360 1.00 51.22 H new ATOM 0 HD3 LYS A 17 -23.531 -14.191 -7.372 1.00 51.22 H new ATOM 0 HE2 LYS A 17 -26.363 -14.613 -6.334 1.00 1.23 H new ATOM 0 HE3 LYS A 17 -25.188 -15.884 -6.609 1.00 1.23 H new ATOM 0 HZ1 LYS A 17 -24.835 -15.500 -4.414 1.00 41.13 H new ATOM 0 HZ2 LYS A 17 -23.743 -14.356 -5.032 1.00 41.13 H new ATOM 0 HZ3 LYS A 17 -25.275 -13.862 -4.492 1.00 41.13 H new ATOM 279 N LYS A 18 -22.183 -9.274 -9.078 1.00 52.51 N ATOM 280 CA LYS A 18 -21.917 -7.845 -9.195 1.00 13.43 C ATOM 281 C LYS A 18 -22.098 -7.373 -10.634 1.00 75.21 C ATOM 282 O LYS A 18 -22.549 -6.253 -10.879 1.00 72.43 O ATOM 283 CB LYS A 18 -20.498 -7.529 -8.718 1.00 43.43 C ATOM 284 CG LYS A 18 -20.321 -7.647 -7.214 1.00 45.44 C ATOM 285 CD LYS A 18 -19.130 -6.838 -6.728 1.00 42.40 C ATOM 286 CE LYS A 18 -18.819 -7.126 -5.267 1.00 61.54 C ATOM 287 NZ LYS A 18 -17.946 -6.079 -4.669 1.00 25.43 N ATOM 0 H LYS A 18 -21.347 -9.854 -9.006 1.00 52.51 H new ATOM 0 HA LYS A 18 -22.632 -7.315 -8.565 1.00 13.43 H new ATOM 0 HB2 LYS A 18 -19.799 -8.204 -9.212 1.00 43.43 H new ATOM 0 HB3 LYS A 18 -20.237 -6.517 -9.028 1.00 43.43 H new ATOM 0 HG2 LYS A 18 -21.225 -7.303 -6.712 1.00 45.44 H new ATOM 0 HG3 LYS A 18 -20.186 -8.694 -6.944 1.00 45.44 H new ATOM 0 HD2 LYS A 18 -18.258 -7.070 -7.339 1.00 42.40 H new ATOM 0 HD3 LYS A 18 -19.335 -5.775 -6.855 1.00 42.40 H new ATOM 0 HE2 LYS A 18 -19.750 -7.188 -4.703 1.00 61.54 H new ATOM 0 HE3 LYS A 18 -18.331 -8.097 -5.184 1.00 61.54 H new ATOM 0 HZ1 LYS A 18 -17.757 -6.312 -3.673 1.00 25.43 H new ATOM 0 HZ2 LYS A 18 -17.047 -6.037 -5.191 1.00 25.43 H new ATOM 0 HZ3 LYS A 18 -18.423 -5.156 -4.725 1.00 25.43 H new ATOM 301 N LEU A 19 -21.746 -8.234 -11.582 1.00 73.24 N ATOM 302 CA LEU A 19 -21.872 -7.906 -12.998 1.00 63.34 C ATOM 303 C LEU A 19 -23.329 -7.656 -13.372 1.00 71.14 C ATOM 304 O LEU A 19 -23.665 -6.621 -13.947 1.00 44.45 O ATOM 305 CB LEU A 19 -21.300 -9.036 -13.856 1.00 63.23 C ATOM 306 CG LEU A 19 -19.834 -8.892 -14.266 1.00 5.14 C ATOM 307 CD1 LEU A 19 -19.277 -10.227 -14.736 1.00 41.32 C ATOM 308 CD2 LEU A 19 -19.684 -7.837 -15.352 1.00 54.10 C ATOM 0 H LEU A 19 -21.371 -9.164 -11.396 1.00 73.24 H new ATOM 0 HA LEU A 19 -21.307 -6.993 -13.186 1.00 63.34 H new ATOM 0 HB2 LEU A 19 -21.413 -9.973 -13.310 1.00 63.23 H new ATOM 0 HB3 LEU A 19 -21.903 -9.119 -14.760 1.00 63.23 H new ATOM 0 HG LEU A 19 -19.264 -8.570 -13.395 1.00 5.14 H new ATOM 0 HD11 LEU A 19 -18.233 -10.105 -15.024 1.00 41.32 H new ATOM 0 HD12 LEU A 19 -19.348 -10.955 -13.928 1.00 41.32 H new ATOM 0 HD13 LEU A 19 -19.851 -10.579 -15.593 1.00 41.32 H new ATOM 0 HD21 LEU A 19 -18.634 -7.749 -15.631 1.00 54.10 H new ATOM 0 HD22 LEU A 19 -20.268 -8.128 -16.225 1.00 54.10 H new ATOM 0 HD23 LEU A 19 -20.042 -6.878 -14.979 1.00 54.10 H new ATOM 320 N VAL A 20 -24.192 -8.611 -13.040 1.00 53.11 N ATOM 321 CA VAL A 20 -25.615 -8.493 -13.338 1.00 23.01 C ATOM 322 C VAL A 20 -26.226 -7.288 -12.633 1.00 3.54 C ATOM 323 O VAL A 20 -27.204 -6.709 -13.105 1.00 73.02 O ATOM 324 CB VAL A 20 -26.382 -9.762 -12.921 1.00 54.50 C ATOM 325 CG1 VAL A 20 -26.405 -9.899 -11.406 1.00 40.43 C ATOM 326 CG2 VAL A 20 -27.796 -9.738 -13.484 1.00 4.55 C ATOM 0 H VAL A 20 -23.931 -9.475 -12.565 1.00 53.11 H new ATOM 0 HA VAL A 20 -25.703 -8.362 -14.416 1.00 23.01 H new ATOM 0 HB VAL A 20 -25.866 -10.629 -13.332 1.00 54.50 H new ATOM 0 HG11 VAL A 20 -26.951 -10.801 -11.131 1.00 40.43 H new ATOM 0 HG12 VAL A 20 -25.384 -9.964 -11.031 1.00 40.43 H new ATOM 0 HG13 VAL A 20 -26.897 -9.030 -10.969 1.00 40.43 H new ATOM 0 HG21 VAL A 20 -28.324 -10.642 -13.180 1.00 4.55 H new ATOM 0 HG22 VAL A 20 -28.324 -8.864 -13.104 1.00 4.55 H new ATOM 0 HG23 VAL A 20 -27.754 -9.691 -14.572 1.00 4.55 H new ATOM 336 N ASP A 21 -25.642 -6.914 -11.499 1.00 40.44 N ATOM 337 CA ASP A 21 -26.128 -5.775 -10.728 1.00 62.05 C ATOM 338 C ASP A 21 -25.679 -4.461 -11.359 1.00 51.52 C ATOM 339 O ASP A 21 -26.430 -3.485 -11.388 1.00 5.22 O ATOM 340 CB ASP A 21 -25.629 -5.859 -9.285 1.00 61.01 C ATOM 341 CG ASP A 21 -26.388 -4.933 -8.355 1.00 73.23 C ATOM 342 OD1 ASP A 21 -27.006 -3.968 -8.853 1.00 33.54 O ATOM 343 OD2 ASP A 21 -26.365 -5.174 -7.130 1.00 53.13 O ATOM 0 H ASP A 21 -24.832 -7.383 -11.094 1.00 40.44 H new ATOM 0 HA ASP A 21 -27.218 -5.804 -10.730 1.00 62.05 H new ATOM 0 HB2 ASP A 21 -25.725 -6.885 -8.930 1.00 61.01 H new ATOM 0 HB3 ASP A 21 -24.568 -5.610 -9.255 1.00 61.01 H new ATOM 348 N LYS A 22 -24.450 -4.441 -11.863 1.00 61.32 N ATOM 349 CA LYS A 22 -23.900 -3.247 -12.494 1.00 64.40 C ATOM 350 C LYS A 22 -24.102 -3.288 -14.005 1.00 71.13 C ATOM 351 O LYS A 22 -23.393 -2.617 -14.755 1.00 4.53 O ATOM 352 CB LYS A 22 -22.409 -3.116 -12.172 1.00 34.12 C ATOM 353 CG LYS A 22 -22.108 -3.098 -10.683 1.00 52.22 C ATOM 354 CD LYS A 22 -20.742 -3.690 -10.383 1.00 64.44 C ATOM 355 CE LYS A 22 -20.485 -3.769 -8.886 1.00 65.33 C ATOM 356 NZ LYS A 22 -21.542 -4.547 -8.182 1.00 42.53 N ATOM 0 H LYS A 22 -23.815 -5.239 -11.847 1.00 61.32 H new ATOM 0 HA LYS A 22 -24.429 -2.380 -12.098 1.00 64.40 H new ATOM 0 HB2 LYS A 22 -21.872 -3.945 -12.633 1.00 34.12 H new ATOM 0 HB3 LYS A 22 -22.028 -2.200 -12.622 1.00 34.12 H new ATOM 0 HG2 LYS A 22 -22.150 -2.073 -10.315 1.00 52.22 H new ATOM 0 HG3 LYS A 22 -22.874 -3.660 -10.149 1.00 52.22 H new ATOM 0 HD2 LYS A 22 -20.673 -4.687 -10.818 1.00 64.44 H new ATOM 0 HD3 LYS A 22 -19.970 -3.082 -10.854 1.00 64.44 H new ATOM 0 HE2 LYS A 22 -19.514 -4.232 -8.708 1.00 65.33 H new ATOM 0 HE3 LYS A 22 -20.439 -2.762 -8.472 1.00 65.33 H new ATOM 0 HZ1 LYS A 22 -21.123 -5.050 -7.374 1.00 42.53 H new ATOM 0 HZ2 LYS A 22 -22.281 -3.899 -7.841 1.00 42.53 H new ATOM 0 HZ3 LYS A 22 -21.961 -5.236 -8.839 1.00 42.53 H new ATOM 370 N TYR A 23 -25.075 -4.078 -14.446 1.00 64.31 N ATOM 371 CA TYR A 23 -25.369 -4.207 -15.868 1.00 55.23 C ATOM 372 C TYR A 23 -25.835 -2.876 -16.451 1.00 1.44 C ATOM 373 O TYR A 23 -25.417 -2.482 -17.540 1.00 13.13 O ATOM 374 CB TYR A 23 -26.439 -5.277 -16.094 1.00 50.31 C ATOM 375 CG TYR A 23 -26.731 -5.543 -17.554 1.00 1.53 C ATOM 376 CD1 TYR A 23 -27.543 -4.687 -18.287 1.00 51.24 C ATOM 377 CD2 TYR A 23 -26.193 -6.649 -18.199 1.00 73.43 C ATOM 378 CE1 TYR A 23 -27.813 -4.926 -19.621 1.00 21.42 C ATOM 379 CE2 TYR A 23 -26.457 -6.896 -19.533 1.00 25.11 C ATOM 380 CZ TYR A 23 -27.267 -6.032 -20.239 1.00 72.01 C ATOM 381 OH TYR A 23 -27.532 -6.273 -21.568 1.00 34.44 O ATOM 0 H TYR A 23 -25.673 -4.638 -13.839 1.00 64.31 H new ATOM 0 HA TYR A 23 -24.452 -4.505 -16.377 1.00 55.23 H new ATOM 0 HB2 TYR A 23 -26.118 -6.205 -15.621 1.00 50.31 H new ATOM 0 HB3 TYR A 23 -27.360 -4.969 -15.598 1.00 50.31 H new ATOM 0 HD1 TYR A 23 -27.971 -3.820 -17.806 1.00 51.24 H new ATOM 0 HD2 TYR A 23 -25.558 -7.327 -17.649 1.00 73.43 H new ATOM 0 HE1 TYR A 23 -28.448 -4.251 -20.176 1.00 21.42 H new ATOM 0 HE2 TYR A 23 -26.031 -7.761 -20.020 1.00 25.11 H new ATOM 0 HH TYR A 23 -27.071 -7.090 -21.850 1.00 34.44 H new ATOM 391 N ARG A 24 -26.702 -2.187 -15.716 1.00 12.10 N ATOM 392 CA ARG A 24 -27.226 -0.900 -16.158 1.00 63.13 C ATOM 393 C ARG A 24 -26.356 0.245 -15.648 1.00 41.11 C ATOM 394 O ARG A 24 -26.749 1.409 -15.705 1.00 54.30 O ATOM 395 CB ARG A 24 -28.665 -0.717 -15.673 1.00 41.11 C ATOM 396 CG ARG A 24 -29.694 -0.758 -16.791 1.00 12.13 C ATOM 397 CD ARG A 24 -29.785 0.577 -17.513 1.00 54.13 C ATOM 398 NE ARG A 24 -30.793 0.559 -18.571 1.00 5.43 N ATOM 399 CZ ARG A 24 -31.006 1.576 -19.399 1.00 71.52 C ATOM 400 NH1 ARG A 24 -30.286 2.684 -19.294 1.00 33.14 N ATOM 401 NH2 ARG A 24 -31.941 1.484 -20.336 1.00 71.23 N ATOM 0 H ARG A 24 -27.056 -2.499 -14.812 1.00 12.10 H new ATOM 0 HA ARG A 24 -27.213 -0.886 -17.248 1.00 63.13 H new ATOM 0 HB2 ARG A 24 -28.897 -1.497 -14.948 1.00 41.11 H new ATOM 0 HB3 ARG A 24 -28.745 0.237 -15.151 1.00 41.11 H new ATOM 0 HG2 ARG A 24 -29.429 -1.540 -17.502 1.00 12.13 H new ATOM 0 HG3 ARG A 24 -30.669 -1.018 -16.380 1.00 12.13 H new ATOM 0 HD2 ARG A 24 -30.026 1.362 -16.796 1.00 54.13 H new ATOM 0 HD3 ARG A 24 -28.814 0.824 -17.942 1.00 54.13 H new ATOM 0 HE ARG A 24 -31.364 -0.279 -18.680 1.00 5.43 H new ATOM 0 HH11 ARG A 24 -29.566 2.758 -18.576 1.00 33.14 H new ATOM 0 HH12 ARG A 24 -30.452 3.463 -19.931 1.00 33.14 H new ATOM 0 HH21 ARG A 24 -32.496 0.633 -20.421 1.00 71.23 H new ATOM 0 HH22 ARG A 24 -32.105 2.265 -20.972 1.00 71.23 H new ATOM 415 N ASN A 25 -25.172 -0.095 -15.149 1.00 42.22 N ATOM 416 CA ASN A 25 -24.247 0.905 -14.628 1.00 23.23 C ATOM 417 C ASN A 25 -23.113 1.164 -15.615 1.00 23.11 C ATOM 418 O ASN A 25 -22.682 2.303 -15.796 1.00 71.15 O ATOM 419 CB ASN A 25 -23.674 0.448 -13.284 1.00 50.33 C ATOM 420 CG ASN A 25 -24.659 0.627 -12.145 1.00 73.53 C ATOM 421 OD1 ASN A 25 -25.904 0.224 -12.372 1.00 2.42 O flip ATOM 422 ND2 ASN A 25 -24.305 1.120 -11.075 1.00 32.44 N flip ATOM 0 H ASN A 25 -24.831 -1.055 -15.094 1.00 42.22 H new ATOM 0 HA ASN A 25 -24.798 1.834 -14.484 1.00 23.23 H new ATOM 0 HB2 ASN A 25 -23.388 -0.602 -13.352 1.00 50.33 H new ATOM 0 HB3 ASN A 25 -22.767 1.012 -13.068 1.00 50.33 H new ATOM 0 HD21 ASN A 25 -23.337 1.416 -10.945 1.00 32.44 H new ATOM 0 HD22 ASN A 25 -24.979 1.233 -10.318 1.00 32.44 H new ATOM 429 N ASP A 26 -22.634 0.100 -16.250 1.00 72.11 N ATOM 430 CA ASP A 26 -21.551 0.212 -17.221 1.00 33.45 C ATOM 431 C ASP A 26 -21.944 -0.428 -18.549 1.00 1.22 C ATOM 432 O ASP A 26 -22.398 -1.571 -18.588 1.00 0.35 O ATOM 433 CB ASP A 26 -20.282 -0.447 -16.678 1.00 71.54 C ATOM 434 CG ASP A 26 -19.373 0.540 -15.973 1.00 32.31 C ATOM 435 OD1 ASP A 26 -18.918 1.500 -16.628 1.00 55.15 O ATOM 436 OD2 ASP A 26 -19.116 0.351 -14.765 1.00 41.32 O ATOM 0 H ASP A 26 -22.978 -0.850 -16.110 1.00 72.11 H new ATOM 0 HA ASP A 26 -21.357 1.271 -17.392 1.00 33.45 H new ATOM 0 HB2 ASP A 26 -20.557 -1.242 -15.985 1.00 71.54 H new ATOM 0 HB3 ASP A 26 -19.739 -0.914 -17.499 1.00 71.54 H new ATOM 441 N GLU A 27 -21.766 0.319 -19.634 1.00 73.45 N ATOM 442 CA GLU A 27 -22.104 -0.176 -20.964 1.00 51.31 C ATOM 443 C GLU A 27 -21.226 -1.365 -21.342 1.00 31.44 C ATOM 444 O GLU A 27 -21.709 -2.361 -21.881 1.00 71.33 O ATOM 445 CB GLU A 27 -21.947 0.938 -22.002 1.00 22.24 C ATOM 446 CG GLU A 27 -20.564 1.568 -22.014 1.00 31.34 C ATOM 447 CD GLU A 27 -20.605 3.060 -22.278 1.00 13.31 C ATOM 448 OE1 GLU A 27 -21.256 3.470 -23.262 1.00 42.13 O ATOM 449 OE2 GLU A 27 -19.987 3.818 -21.501 1.00 55.25 O ATOM 0 H GLU A 27 -21.390 1.267 -19.619 1.00 73.45 H new ATOM 0 HA GLU A 27 -23.143 -0.505 -20.948 1.00 51.31 H new ATOM 0 HB2 GLU A 27 -22.162 0.534 -22.991 1.00 22.24 H new ATOM 0 HB3 GLU A 27 -22.688 1.713 -21.806 1.00 22.24 H new ATOM 0 HG2 GLU A 27 -20.077 1.386 -21.056 1.00 31.34 H new ATOM 0 HG3 GLU A 27 -19.955 1.084 -22.778 1.00 31.34 H new ATOM 456 N HIS A 28 -19.933 -1.254 -21.054 1.00 50.23 N ATOM 457 CA HIS A 28 -18.987 -2.320 -21.363 1.00 45.33 C ATOM 458 C HIS A 28 -19.406 -3.628 -20.699 1.00 43.22 C ATOM 459 O HIS A 28 -19.122 -4.713 -21.207 1.00 51.34 O ATOM 460 CB HIS A 28 -17.580 -1.930 -20.907 1.00 33.14 C ATOM 461 CG HIS A 28 -16.874 -1.015 -21.858 1.00 44.33 C ATOM 462 ND1 HIS A 28 -17.346 -0.268 -22.884 1.00 10.22 N flip ATOM 463 CD2 HIS A 28 -15.514 -0.789 -21.816 1.00 3.45 C flip ATOM 464 CE1 HIS A 28 -16.274 0.390 -23.435 1.00 43.04 C flip ATOM 465 NE2 HIS A 28 -15.181 0.059 -22.772 1.00 51.32 N flip ATOM 0 H HIS A 28 -19.517 -0.437 -20.607 1.00 50.23 H new ATOM 0 HA HIS A 28 -18.983 -2.467 -22.443 1.00 45.33 H new ATOM 0 HB2 HIS A 28 -17.644 -1.448 -19.932 1.00 33.14 H new ATOM 0 HB3 HIS A 28 -16.986 -2.834 -20.777 1.00 33.14 H new ATOM 0 HD2 HIS A 28 -14.828 -1.236 -21.111 1.00 3.45 H new ATOM 0 HE1 HIS A 28 -16.318 1.068 -24.274 1.00 43.04 H new ATOM 0 HE2 HIS A 28 -14.239 0.400 -22.965 1.00 51.32 H new ATOM 474 N VAL A 29 -20.082 -3.518 -19.560 1.00 42.40 N ATOM 475 CA VAL A 29 -20.540 -4.691 -18.826 1.00 72.35 C ATOM 476 C VAL A 29 -21.699 -5.372 -19.547 1.00 45.11 C ATOM 477 O VAL A 29 -21.828 -6.596 -19.517 1.00 54.21 O ATOM 478 CB VAL A 29 -20.984 -4.323 -17.398 1.00 51.44 C ATOM 479 CG1 VAL A 29 -21.497 -5.552 -16.664 1.00 71.13 C ATOM 480 CG2 VAL A 29 -19.838 -3.675 -16.635 1.00 73.33 C ATOM 0 H VAL A 29 -20.325 -2.628 -19.125 1.00 42.40 H new ATOM 0 HA VAL A 29 -19.696 -5.378 -18.770 1.00 72.35 H new ATOM 0 HB VAL A 29 -21.800 -3.603 -17.464 1.00 51.44 H new ATOM 0 HG11 VAL A 29 -21.806 -5.272 -15.657 1.00 71.13 H new ATOM 0 HG12 VAL A 29 -22.349 -5.968 -17.202 1.00 71.13 H new ATOM 0 HG13 VAL A 29 -20.705 -6.298 -16.606 1.00 71.13 H new ATOM 0 HG21 VAL A 29 -20.169 -3.421 -15.628 1.00 73.33 H new ATOM 0 HG22 VAL A 29 -19.000 -4.370 -16.577 1.00 73.33 H new ATOM 0 HG23 VAL A 29 -19.523 -2.769 -17.152 1.00 73.33 H new ATOM 490 N ARG A 30 -22.538 -4.571 -20.195 1.00 1.31 N ATOM 491 CA ARG A 30 -23.687 -5.096 -20.923 1.00 44.43 C ATOM 492 C ARG A 30 -23.237 -5.964 -22.095 1.00 0.40 C ATOM 493 O ARG A 30 -23.647 -7.118 -22.220 1.00 40.22 O ATOM 494 CB ARG A 30 -24.563 -3.949 -21.431 1.00 20.11 C ATOM 495 CG ARG A 30 -24.920 -2.934 -20.357 1.00 73.32 C ATOM 496 CD ARG A 30 -25.625 -1.723 -20.948 1.00 4.10 C ATOM 497 NE ARG A 30 -26.802 -2.100 -21.726 1.00 43.30 N ATOM 498 CZ ARG A 30 -26.776 -2.324 -23.035 1.00 75.20 C ATOM 499 NH1 ARG A 30 -25.640 -2.211 -23.709 1.00 11.14 N ATOM 500 NH2 ARG A 30 -27.889 -2.663 -23.673 1.00 35.42 N ATOM 0 H ARG A 30 -22.444 -3.556 -20.231 1.00 1.31 H new ATOM 0 HA ARG A 30 -24.269 -5.713 -20.238 1.00 44.43 H new ATOM 0 HB2 ARG A 30 -24.045 -3.439 -22.243 1.00 20.11 H new ATOM 0 HB3 ARG A 30 -25.481 -4.362 -21.849 1.00 20.11 H new ATOM 0 HG2 ARG A 30 -25.562 -3.402 -19.611 1.00 73.32 H new ATOM 0 HG3 ARG A 30 -24.014 -2.614 -19.842 1.00 73.32 H new ATOM 0 HD2 ARG A 30 -25.922 -1.049 -20.145 1.00 4.10 H new ATOM 0 HD3 ARG A 30 -24.931 -1.174 -21.584 1.00 4.10 H new ATOM 0 HE ARG A 30 -27.692 -2.197 -21.238 1.00 43.30 H new ATOM 0 HH11 ARG A 30 -24.782 -1.951 -23.222 1.00 11.14 H new ATOM 0 HH12 ARG A 30 -25.624 -2.384 -24.714 1.00 11.14 H new ATOM 0 HH21 ARG A 30 -28.765 -2.752 -23.158 1.00 35.42 H new ATOM 0 HH22 ARG A 30 -27.868 -2.835 -24.678 1.00 35.42 H new ATOM 514 N LYS A 31 -22.392 -5.400 -22.952 1.00 20.33 N ATOM 515 CA LYS A 31 -21.885 -6.121 -24.113 1.00 72.33 C ATOM 516 C LYS A 31 -21.111 -7.364 -23.687 1.00 20.52 C ATOM 517 O LYS A 31 -21.167 -8.401 -24.349 1.00 41.54 O ATOM 518 CB LYS A 31 -20.986 -5.210 -24.952 1.00 71.54 C ATOM 519 CG LYS A 31 -19.688 -4.832 -24.260 1.00 13.31 C ATOM 520 CD LYS A 31 -18.931 -3.769 -25.038 1.00 65.32 C ATOM 521 CE LYS A 31 -19.699 -2.458 -25.085 1.00 13.34 C ATOM 522 NZ LYS A 31 -18.815 -1.308 -25.424 1.00 74.30 N ATOM 0 H LYS A 31 -22.044 -4.445 -22.864 1.00 20.33 H new ATOM 0 HA LYS A 31 -22.738 -6.435 -24.715 1.00 72.33 H new ATOM 0 HB2 LYS A 31 -20.754 -5.709 -25.893 1.00 71.54 H new ATOM 0 HB3 LYS A 31 -21.534 -4.301 -25.200 1.00 71.54 H new ATOM 0 HG2 LYS A 31 -19.903 -4.466 -23.256 1.00 13.31 H new ATOM 0 HG3 LYS A 31 -19.062 -5.718 -24.149 1.00 13.31 H new ATOM 0 HD2 LYS A 31 -17.957 -3.605 -24.577 1.00 65.32 H new ATOM 0 HD3 LYS A 31 -18.748 -4.121 -26.053 1.00 65.32 H new ATOM 0 HE2 LYS A 31 -20.498 -2.532 -25.823 1.00 13.34 H new ATOM 0 HE3 LYS A 31 -20.172 -2.280 -24.119 1.00 13.34 H new ATOM 0 HZ1 LYS A 31 -19.389 -0.530 -25.807 1.00 74.30 H new ATOM 0 HZ2 LYS A 31 -18.322 -0.985 -24.567 1.00 74.30 H new ATOM 0 HZ3 LYS A 31 -18.116 -1.605 -26.135 1.00 74.30 H new ATOM 536 N VAL A 32 -20.390 -7.255 -22.576 1.00 2.24 N ATOM 537 CA VAL A 32 -19.606 -8.371 -22.059 1.00 55.13 C ATOM 538 C VAL A 32 -20.510 -9.475 -21.522 1.00 14.42 C ATOM 539 O VAL A 32 -20.339 -10.648 -21.853 1.00 35.12 O ATOM 540 CB VAL A 32 -18.650 -7.916 -20.941 1.00 12.40 C ATOM 541 CG1 VAL A 32 -18.089 -9.117 -20.196 1.00 31.11 C ATOM 542 CG2 VAL A 32 -17.529 -7.062 -21.514 1.00 61.11 C ATOM 0 H VAL A 32 -20.332 -6.404 -22.016 1.00 2.24 H new ATOM 0 HA VAL A 32 -19.019 -8.758 -22.892 1.00 55.13 H new ATOM 0 HB VAL A 32 -19.212 -7.309 -20.231 1.00 12.40 H new ATOM 0 HG11 VAL A 32 -17.416 -8.775 -19.410 1.00 31.11 H new ATOM 0 HG12 VAL A 32 -18.907 -9.684 -19.752 1.00 31.11 H new ATOM 0 HG13 VAL A 32 -17.542 -9.753 -20.891 1.00 31.11 H new ATOM 0 HG21 VAL A 32 -16.863 -6.749 -20.710 1.00 61.11 H new ATOM 0 HG22 VAL A 32 -16.967 -7.642 -22.246 1.00 61.11 H new ATOM 0 HG23 VAL A 32 -17.953 -6.182 -21.997 1.00 61.11 H new ATOM 552 N PHE A 33 -21.474 -9.091 -20.691 1.00 2.31 N ATOM 553 CA PHE A 33 -22.406 -10.048 -20.106 1.00 43.14 C ATOM 554 C PHE A 33 -23.352 -10.603 -21.167 1.00 62.11 C ATOM 555 O PHE A 33 -23.902 -11.694 -21.014 1.00 43.11 O ATOM 556 CB PHE A 33 -23.210 -9.389 -18.984 1.00 51.31 C ATOM 557 CG PHE A 33 -23.443 -10.289 -17.805 1.00 33.31 C ATOM 558 CD1 PHE A 33 -22.433 -10.527 -16.887 1.00 64.25 C ATOM 559 CD2 PHE A 33 -24.673 -10.899 -17.614 1.00 51.52 C ATOM 560 CE1 PHE A 33 -22.644 -11.355 -15.801 1.00 61.10 C ATOM 561 CE2 PHE A 33 -24.890 -11.727 -16.530 1.00 13.05 C ATOM 562 CZ PHE A 33 -23.874 -11.957 -15.623 1.00 12.45 C ATOM 0 H PHE A 33 -21.630 -8.124 -20.408 1.00 2.31 H new ATOM 0 HA PHE A 33 -21.828 -10.874 -19.692 1.00 43.14 H new ATOM 0 HB2 PHE A 33 -22.686 -8.494 -18.650 1.00 51.31 H new ATOM 0 HB3 PHE A 33 -24.173 -9.065 -19.380 1.00 51.31 H new ATOM 0 HD1 PHE A 33 -21.469 -10.060 -17.022 1.00 64.25 H new ATOM 0 HD2 PHE A 33 -25.471 -10.725 -18.321 1.00 51.52 H new ATOM 0 HE1 PHE A 33 -21.848 -11.531 -15.092 1.00 61.10 H new ATOM 0 HE2 PHE A 33 -25.854 -12.194 -16.392 1.00 13.05 H new ATOM 0 HZ PHE A 33 -24.041 -12.606 -14.776 1.00 12.45 H new ATOM 572 N ASP A 34 -23.537 -9.844 -22.242 1.00 24.24 N ATOM 573 CA ASP A 34 -24.416 -10.259 -23.329 1.00 25.32 C ATOM 574 C ASP A 34 -23.795 -11.405 -24.123 1.00 4.55 C ATOM 575 O ASP A 34 -24.448 -12.413 -24.389 1.00 3.31 O ATOM 576 CB ASP A 34 -24.707 -9.079 -24.256 1.00 51.34 C ATOM 577 CG ASP A 34 -25.402 -9.505 -25.535 1.00 13.54 C ATOM 578 OD1 ASP A 34 -24.728 -10.083 -26.412 1.00 21.12 O ATOM 579 OD2 ASP A 34 -26.621 -9.259 -25.658 1.00 44.40 O ATOM 0 H ASP A 34 -23.090 -8.938 -22.384 1.00 24.24 H new ATOM 0 HA ASP A 34 -25.352 -10.608 -22.893 1.00 25.32 H new ATOM 0 HB2 ASP A 34 -25.330 -8.354 -23.732 1.00 51.34 H new ATOM 0 HB3 ASP A 34 -23.772 -8.576 -24.504 1.00 51.34 H new ATOM 584 N GLU A 35 -22.530 -11.240 -24.498 1.00 22.31 N ATOM 585 CA GLU A 35 -21.822 -12.260 -25.263 1.00 33.31 C ATOM 586 C GLU A 35 -21.605 -13.516 -24.424 1.00 70.53 C ATOM 587 O GLU A 35 -21.709 -14.636 -24.926 1.00 74.11 O ATOM 588 CB GLU A 35 -20.476 -11.721 -25.751 1.00 53.24 C ATOM 589 CG GLU A 35 -19.583 -11.212 -24.633 1.00 44.41 C ATOM 590 CD GLU A 35 -18.254 -10.686 -25.141 1.00 61.44 C ATOM 591 OE1 GLU A 35 -17.948 -10.902 -26.333 1.00 31.31 O ATOM 592 OE2 GLU A 35 -17.520 -10.060 -24.348 1.00 73.34 O ATOM 0 H GLU A 35 -21.975 -10.411 -24.285 1.00 22.31 H new ATOM 0 HA GLU A 35 -22.435 -12.521 -26.126 1.00 33.31 H new ATOM 0 HB2 GLU A 35 -19.953 -12.510 -26.292 1.00 53.24 H new ATOM 0 HB3 GLU A 35 -20.653 -10.912 -26.460 1.00 53.24 H new ATOM 0 HG2 GLU A 35 -20.100 -10.420 -24.092 1.00 44.41 H new ATOM 0 HG3 GLU A 35 -19.403 -12.018 -23.922 1.00 44.41 H new ATOM 599 N ILE A 36 -21.302 -13.322 -23.145 1.00 41.34 N ATOM 600 CA ILE A 36 -21.070 -14.438 -22.237 1.00 54.01 C ATOM 601 C ILE A 36 -22.369 -15.178 -21.933 1.00 1.51 C ATOM 602 O ILE A 36 -22.370 -16.392 -21.732 1.00 1.44 O ATOM 603 CB ILE A 36 -20.440 -13.966 -20.914 1.00 3.42 C ATOM 604 CG1 ILE A 36 -19.106 -13.265 -21.181 1.00 0.02 C ATOM 605 CG2 ILE A 36 -20.246 -15.143 -19.970 1.00 12.35 C ATOM 606 CD1 ILE A 36 -18.640 -12.395 -20.034 1.00 71.32 C ATOM 0 H ILE A 36 -21.211 -12.402 -22.714 1.00 41.34 H new ATOM 0 HA ILE A 36 -20.378 -15.114 -22.738 1.00 54.01 H new ATOM 0 HB ILE A 36 -21.116 -13.253 -20.441 1.00 3.42 H new ATOM 0 HG12 ILE A 36 -18.345 -14.017 -21.388 1.00 0.02 H new ATOM 0 HG13 ILE A 36 -19.200 -12.651 -22.077 1.00 0.02 H new ATOM 0 HG21 ILE A 36 -19.800 -14.793 -19.039 1.00 12.35 H new ATOM 0 HG22 ILE A 36 -21.211 -15.603 -19.759 1.00 12.35 H new ATOM 0 HG23 ILE A 36 -19.588 -15.877 -20.434 1.00 12.35 H new ATOM 0 HD11 ILE A 36 -17.689 -11.930 -20.293 1.00 71.32 H new ATOM 0 HD12 ILE A 36 -19.382 -11.620 -19.840 1.00 71.32 H new ATOM 0 HD13 ILE A 36 -18.513 -13.007 -19.141 1.00 71.32 H new ATOM 618 N GLN A 37 -23.472 -14.437 -21.903 1.00 72.10 N ATOM 619 CA GLN A 37 -24.778 -15.023 -21.625 1.00 22.54 C ATOM 620 C GLN A 37 -25.232 -15.914 -22.777 1.00 5.13 C ATOM 621 O GLN A 37 -25.827 -16.969 -22.560 1.00 1.11 O ATOM 622 CB GLN A 37 -25.812 -13.924 -21.376 1.00 42.15 C ATOM 623 CG GLN A 37 -25.903 -13.492 -19.922 1.00 14.11 C ATOM 624 CD GLN A 37 -26.811 -12.294 -19.725 1.00 12.21 C ATOM 625 OE1 GLN A 37 -27.732 -12.326 -18.908 1.00 3.43 O ATOM 626 NE2 GLN A 37 -26.556 -11.228 -20.475 1.00 12.13 N ATOM 0 H GLN A 37 -23.487 -13.430 -22.068 1.00 72.10 H new ATOM 0 HA GLN A 37 -24.689 -15.637 -20.729 1.00 22.54 H new ATOM 0 HB2 GLN A 37 -25.564 -13.057 -21.989 1.00 42.15 H new ATOM 0 HB3 GLN A 37 -26.790 -14.276 -21.704 1.00 42.15 H new ATOM 0 HG2 GLN A 37 -26.271 -14.324 -19.322 1.00 14.11 H new ATOM 0 HG3 GLN A 37 -24.905 -13.251 -19.555 1.00 14.11 H new ATOM 0 HE21 GLN A 37 -25.782 -11.245 -21.139 1.00 12.13 H new ATOM 0 HE22 GLN A 37 -27.134 -10.392 -20.387 1.00 12.13 H new ATOM 635 N GLN A 38 -24.946 -15.481 -24.000 1.00 52.05 N ATOM 636 CA GLN A 38 -25.326 -16.239 -25.186 1.00 74.34 C ATOM 637 C GLN A 38 -24.449 -17.477 -25.346 1.00 12.41 C ATOM 638 O GLN A 38 -24.950 -18.592 -25.488 1.00 72.22 O ATOM 639 CB GLN A 38 -25.222 -15.361 -26.434 1.00 43.05 C ATOM 640 CG GLN A 38 -26.096 -14.119 -26.379 1.00 54.15 C ATOM 641 CD GLN A 38 -27.416 -14.302 -27.102 1.00 74.30 C ATOM 642 OE1 GLN A 38 -27.658 -13.691 -28.143 1.00 44.32 O ATOM 643 NE2 GLN A 38 -28.280 -15.148 -26.552 1.00 51.12 N ATOM 0 H GLN A 38 -24.453 -14.610 -24.196 1.00 52.05 H new ATOM 0 HA GLN A 38 -26.360 -16.562 -25.063 1.00 74.34 H new ATOM 0 HB2 GLN A 38 -24.184 -15.059 -26.570 1.00 43.05 H new ATOM 0 HB3 GLN A 38 -25.499 -15.951 -27.307 1.00 43.05 H new ATOM 0 HG2 GLN A 38 -26.289 -13.861 -25.338 1.00 54.15 H new ATOM 0 HG3 GLN A 38 -25.557 -13.280 -26.820 1.00 54.15 H new ATOM 0 HE21 GLN A 38 -28.039 -15.634 -25.688 1.00 51.12 H new ATOM 0 HE22 GLN A 38 -29.185 -15.312 -26.994 1.00 51.12 H new ATOM 652 N LYS A 39 -23.136 -17.272 -25.322 1.00 35.15 N ATOM 653 CA LYS A 39 -22.188 -18.370 -25.462 1.00 61.44 C ATOM 654 C LYS A 39 -22.409 -19.422 -24.380 1.00 23.30 C ATOM 655 O LYS A 39 -22.197 -20.614 -24.606 1.00 71.52 O ATOM 656 CB LYS A 39 -20.753 -17.844 -25.392 1.00 24.13 C ATOM 657 CG LYS A 39 -20.298 -17.503 -23.983 1.00 34.30 C ATOM 658 CD LYS A 39 -18.926 -16.851 -23.982 1.00 22.40 C ATOM 659 CE LYS A 39 -17.837 -17.844 -24.359 1.00 70.22 C ATOM 660 NZ LYS A 39 -17.617 -17.894 -25.831 1.00 55.13 N ATOM 0 H LYS A 39 -22.705 -16.355 -25.207 1.00 35.15 H new ATOM 0 HA LYS A 39 -22.351 -18.835 -26.434 1.00 61.44 H new ATOM 0 HB2 LYS A 39 -20.080 -18.592 -25.811 1.00 24.13 H new ATOM 0 HB3 LYS A 39 -20.670 -16.955 -26.017 1.00 24.13 H new ATOM 0 HG2 LYS A 39 -21.021 -16.832 -23.519 1.00 34.30 H new ATOM 0 HG3 LYS A 39 -20.271 -18.410 -23.379 1.00 34.30 H new ATOM 0 HD2 LYS A 39 -18.918 -16.017 -24.683 1.00 22.40 H new ATOM 0 HD3 LYS A 39 -18.718 -16.439 -22.994 1.00 22.40 H new ATOM 0 HE2 LYS A 39 -16.907 -17.569 -23.862 1.00 70.22 H new ATOM 0 HE3 LYS A 39 -18.110 -18.836 -23.999 1.00 70.22 H new ATOM 0 HZ1 LYS A 39 -17.766 -18.865 -26.172 1.00 55.13 H new ATOM 0 HZ2 LYS A 39 -18.287 -17.254 -26.304 1.00 55.13 H new ATOM 0 HZ3 LYS A 39 -16.644 -17.597 -26.047 1.00 55.13 H new ATOM 674 N LEU A 40 -22.836 -18.974 -23.205 1.00 32.33 N ATOM 675 CA LEU A 40 -23.088 -19.878 -22.087 1.00 45.41 C ATOM 676 C LEU A 40 -24.568 -20.231 -21.995 1.00 74.32 C ATOM 677 O LEU A 40 -24.977 -21.024 -21.146 1.00 2.35 O ATOM 678 CB LEU A 40 -22.621 -19.241 -20.777 1.00 32.14 C ATOM 679 CG LEU A 40 -21.116 -19.011 -20.641 1.00 3.42 C ATOM 680 CD1 LEU A 40 -20.779 -18.482 -19.255 1.00 35.31 C ATOM 681 CD2 LEU A 40 -20.352 -20.296 -20.923 1.00 63.04 C ATOM 0 H LEU A 40 -23.015 -17.991 -23.001 1.00 32.33 H new ATOM 0 HA LEU A 40 -22.525 -20.796 -22.259 1.00 45.41 H new ATOM 0 HB2 LEU A 40 -23.126 -18.282 -20.662 1.00 32.14 H new ATOM 0 HB3 LEU A 40 -22.947 -19.874 -19.952 1.00 32.14 H new ATOM 0 HG LEU A 40 -20.815 -18.264 -21.376 1.00 3.42 H new ATOM 0 HD11 LEU A 40 -19.703 -18.325 -19.177 1.00 35.31 H new ATOM 0 HD12 LEU A 40 -21.297 -17.537 -19.090 1.00 35.31 H new ATOM 0 HD13 LEU A 40 -21.095 -19.205 -18.503 1.00 35.31 H new ATOM 0 HD21 LEU A 40 -19.282 -20.113 -20.821 1.00 63.04 H new ATOM 0 HD22 LEU A 40 -20.658 -21.064 -20.213 1.00 63.04 H new ATOM 0 HD23 LEU A 40 -20.568 -20.633 -21.937 1.00 63.04 H new ATOM 693 N HIS A 41 -25.369 -19.640 -22.877 1.00 24.11 N ATOM 694 CA HIS A 41 -26.805 -19.895 -22.897 1.00 64.11 C ATOM 695 C HIS A 41 -27.410 -19.703 -21.510 1.00 31.01 C ATOM 696 O HIS A 41 -28.353 -20.398 -21.131 1.00 20.51 O ATOM 697 CB HIS A 41 -27.085 -21.312 -23.397 1.00 73.41 C ATOM 698 CG HIS A 41 -26.499 -21.599 -24.745 1.00 23.20 C ATOM 699 ND1 HIS A 41 -27.267 -21.827 -25.867 1.00 70.31 N ATOM 700 CD2 HIS A 41 -25.210 -21.693 -25.148 1.00 1.31 C ATOM 701 CE1 HIS A 41 -26.476 -22.050 -26.902 1.00 32.35 C ATOM 702 NE2 HIS A 41 -25.223 -21.974 -26.492 1.00 1.20 N ATOM 0 H HIS A 41 -25.048 -18.982 -23.587 1.00 24.11 H new ATOM 0 HA HIS A 41 -27.267 -19.180 -23.577 1.00 64.11 H new ATOM 0 HB2 HIS A 41 -26.687 -22.027 -22.677 1.00 73.41 H new ATOM 0 HB3 HIS A 41 -28.163 -21.467 -23.438 1.00 73.41 H new ATOM 0 HD2 HIS A 41 -24.334 -21.570 -24.528 1.00 1.31 H new ATOM 0 HE1 HIS A 41 -26.799 -22.259 -27.911 1.00 32.35 H new ATOM 0 HE2 HIS A 41 -24.399 -22.103 -27.079 1.00 1.20 H new ATOM 711 N CYS A 42 -26.862 -18.756 -20.756 1.00 41.23 N ATOM 712 CA CYS A 42 -27.346 -18.473 -19.411 1.00 12.52 C ATOM 713 C CYS A 42 -27.880 -17.046 -19.314 1.00 21.22 C ATOM 714 O CYS A 42 -27.592 -16.204 -20.165 1.00 61.53 O ATOM 715 CB CYS A 42 -26.227 -18.680 -18.389 1.00 22.52 C ATOM 716 SG CYS A 42 -24.812 -17.552 -18.596 1.00 64.34 S ATOM 0 H CYS A 42 -26.081 -18.171 -21.055 1.00 41.23 H new ATOM 0 HA CYS A 42 -28.161 -19.163 -19.193 1.00 12.52 H new ATOM 0 HB2 CYS A 42 -26.637 -18.552 -17.387 1.00 22.52 H new ATOM 0 HB3 CYS A 42 -25.872 -19.708 -18.459 1.00 22.52 H new ATOM 721 N CYS A 43 -28.659 -16.782 -18.270 1.00 41.44 N ATOM 722 CA CYS A 43 -29.234 -15.458 -18.061 1.00 23.34 C ATOM 723 C CYS A 43 -28.845 -14.907 -16.692 1.00 21.23 C ATOM 724 O CYS A 43 -28.771 -15.646 -15.711 1.00 75.52 O ATOM 725 CB CYS A 43 -30.757 -15.516 -18.186 1.00 15.54 C ATOM 726 SG CYS A 43 -31.548 -13.888 -18.396 1.00 42.23 S ATOM 0 H CYS A 43 -28.907 -17.467 -17.556 1.00 41.44 H new ATOM 0 HA CYS A 43 -28.839 -14.791 -18.827 1.00 23.34 H new ATOM 0 HB2 CYS A 43 -31.017 -16.147 -19.036 1.00 15.54 H new ATOM 0 HB3 CYS A 43 -31.166 -15.995 -17.296 1.00 15.54 H new ATOM 731 N GLY A 44 -28.597 -13.602 -16.634 1.00 30.12 N ATOM 732 CA GLY A 44 -28.219 -12.974 -15.382 1.00 11.35 C ATOM 733 C GLY A 44 -27.047 -13.667 -14.715 1.00 75.22 C ATOM 734 O GLY A 44 -26.448 -14.576 -15.289 1.00 3.14 O ATOM 0 H GLY A 44 -28.651 -12.969 -17.432 1.00 30.12 H new ATOM 0 HA2 GLY A 44 -27.963 -11.930 -15.565 1.00 11.35 H new ATOM 0 HA3 GLY A 44 -29.073 -12.979 -14.705 1.00 11.35 H new ATOM 738 N ALA A 45 -26.719 -13.237 -13.501 1.00 55.24 N ATOM 739 CA ALA A 45 -25.612 -13.823 -12.756 1.00 51.25 C ATOM 740 C ALA A 45 -26.003 -15.171 -12.161 1.00 54.01 C ATOM 741 O ALA A 45 -25.520 -16.216 -12.596 1.00 71.33 O ATOM 742 CB ALA A 45 -25.152 -12.873 -11.660 1.00 72.03 C ATOM 0 H ALA A 45 -27.205 -12.485 -13.013 1.00 55.24 H new ATOM 0 HA ALA A 45 -24.787 -13.987 -13.449 1.00 51.25 H new ATOM 0 HB1 ALA A 45 -24.325 -13.324 -11.112 1.00 72.03 H new ATOM 0 HB2 ALA A 45 -24.823 -11.935 -12.106 1.00 72.03 H new ATOM 0 HB3 ALA A 45 -25.978 -12.679 -10.976 1.00 72.03 H new ATOM 748 N ASP A 46 -26.880 -15.140 -11.164 1.00 13.23 N ATOM 749 CA ASP A 46 -27.337 -16.360 -10.509 1.00 21.05 C ATOM 750 C ASP A 46 -28.741 -16.733 -10.972 1.00 55.14 C ATOM 751 O ASP A 46 -29.242 -17.813 -10.661 1.00 34.32 O ATOM 752 CB ASP A 46 -27.317 -16.186 -8.989 1.00 74.41 C ATOM 753 CG ASP A 46 -27.144 -17.503 -8.258 1.00 74.20 C ATOM 754 OD1 ASP A 46 -27.112 -18.555 -8.930 1.00 55.24 O ATOM 755 OD2 ASP A 46 -27.042 -17.482 -7.013 1.00 61.33 O ATOM 0 H ASP A 46 -27.289 -14.283 -10.791 1.00 13.23 H new ATOM 0 HA ASP A 46 -26.658 -17.167 -10.784 1.00 21.05 H new ATOM 0 HB2 ASP A 46 -26.506 -15.512 -8.714 1.00 74.41 H new ATOM 0 HB3 ASP A 46 -28.246 -15.715 -8.668 1.00 74.41 H new ATOM 760 N SER A 47 -29.372 -15.831 -11.718 1.00 11.13 N ATOM 761 CA SER A 47 -30.721 -16.063 -12.220 1.00 70.04 C ATOM 762 C SER A 47 -31.181 -14.902 -13.097 1.00 33.20 C ATOM 763 O SER A 47 -30.641 -13.797 -13.043 1.00 22.35 O ATOM 764 CB SER A 47 -31.696 -16.256 -11.057 1.00 5.01 C ATOM 765 OG SER A 47 -32.476 -15.092 -10.847 1.00 1.11 O ATOM 0 H SER A 47 -28.970 -14.933 -11.988 1.00 11.13 H new ATOM 0 HA SER A 47 -30.706 -16.970 -12.825 1.00 70.04 H new ATOM 0 HB2 SER A 47 -32.350 -17.103 -11.263 1.00 5.01 H new ATOM 0 HB3 SER A 47 -31.142 -16.495 -10.149 1.00 5.01 H new ATOM 0 HG SER A 47 -33.092 -15.241 -10.100 1.00 1.11 H new ATOM 771 N PRO A 48 -32.205 -15.157 -13.926 1.00 24.32 N ATOM 772 CA PRO A 48 -32.762 -14.147 -14.830 1.00 44.11 C ATOM 773 C PRO A 48 -33.513 -13.051 -14.082 1.00 44.53 C ATOM 774 O PRO A 48 -33.641 -11.927 -14.570 1.00 63.42 O ATOM 775 CB PRO A 48 -33.723 -14.950 -15.710 1.00 15.35 C ATOM 776 CG PRO A 48 -34.104 -16.126 -14.878 1.00 55.14 C ATOM 777 CD PRO A 48 -32.897 -16.452 -14.043 1.00 50.55 C ATOM 0 HA PRO A 48 -31.984 -13.627 -15.389 1.00 44.11 H new ATOM 0 HB2 PRO A 48 -34.597 -14.359 -15.984 1.00 15.35 H new ATOM 0 HB3 PRO A 48 -33.244 -15.260 -16.639 1.00 15.35 H new ATOM 0 HG2 PRO A 48 -34.963 -15.896 -14.248 1.00 55.14 H new ATOM 0 HG3 PRO A 48 -34.385 -16.972 -15.505 1.00 55.14 H new ATOM 0 HD2 PRO A 48 -33.178 -16.847 -13.067 1.00 50.55 H new ATOM 0 HD3 PRO A 48 -32.268 -17.202 -14.522 1.00 50.55 H new ATOM 785 N LYS A 49 -34.007 -13.383 -12.895 1.00 35.01 N ATOM 786 CA LYS A 49 -34.745 -12.427 -12.078 1.00 3.43 C ATOM 787 C LYS A 49 -33.849 -11.266 -11.656 1.00 64.43 C ATOM 788 O LYS A 49 -34.334 -10.212 -11.245 1.00 70.40 O ATOM 789 CB LYS A 49 -35.318 -13.118 -10.839 1.00 22.33 C ATOM 790 CG LYS A 49 -36.351 -14.184 -11.160 1.00 63.54 C ATOM 791 CD LYS A 49 -37.676 -13.569 -11.577 1.00 70.23 C ATOM 792 CE LYS A 49 -38.834 -14.527 -11.342 1.00 63.44 C ATOM 793 NZ LYS A 49 -38.816 -15.665 -12.303 1.00 42.02 N ATOM 0 H LYS A 49 -33.910 -14.308 -12.476 1.00 35.01 H new ATOM 0 HA LYS A 49 -35.565 -12.032 -12.678 1.00 3.43 H new ATOM 0 HB2 LYS A 49 -34.502 -13.572 -10.277 1.00 22.33 H new ATOM 0 HB3 LYS A 49 -35.772 -12.367 -10.192 1.00 22.33 H new ATOM 0 HG2 LYS A 49 -35.978 -14.824 -11.960 1.00 63.54 H new ATOM 0 HG3 LYS A 49 -36.502 -14.820 -10.288 1.00 63.54 H new ATOM 0 HD2 LYS A 49 -37.844 -12.649 -11.016 1.00 70.23 H new ATOM 0 HD3 LYS A 49 -37.636 -13.297 -12.632 1.00 70.23 H new ATOM 0 HE2 LYS A 49 -38.786 -14.911 -10.323 1.00 63.44 H new ATOM 0 HE3 LYS A 49 -39.776 -13.987 -11.436 1.00 63.44 H new ATOM 0 HZ1 LYS A 49 -39.621 -16.295 -12.110 1.00 42.02 H new ATOM 0 HZ2 LYS A 49 -38.887 -15.300 -13.274 1.00 42.02 H new ATOM 0 HZ3 LYS A 49 -37.928 -16.195 -12.196 1.00 42.02 H new ATOM 807 N ASP A 50 -32.540 -11.467 -11.763 1.00 3.02 N ATOM 808 CA ASP A 50 -31.576 -10.436 -11.395 1.00 61.22 C ATOM 809 C ASP A 50 -31.829 -9.151 -12.177 1.00 74.33 C ATOM 810 O ASP A 50 -31.530 -8.055 -11.704 1.00 1.13 O ATOM 811 CB ASP A 50 -30.150 -10.928 -11.647 1.00 62.31 C ATOM 812 CG ASP A 50 -29.743 -12.036 -10.695 1.00 41.11 C ATOM 813 OD1 ASP A 50 -30.117 -11.963 -9.506 1.00 45.40 O ATOM 814 OD2 ASP A 50 -29.050 -12.976 -11.139 1.00 40.51 O ATOM 0 H ASP A 50 -32.122 -12.334 -12.101 1.00 3.02 H new ATOM 0 HA ASP A 50 -31.697 -10.223 -10.333 1.00 61.22 H new ATOM 0 HB2 ASP A 50 -30.068 -11.286 -12.673 1.00 62.31 H new ATOM 0 HB3 ASP A 50 -29.457 -10.093 -11.545 1.00 62.31 H new ATOM 819 N TYR A 51 -32.382 -9.294 -13.377 1.00 22.32 N ATOM 820 CA TYR A 51 -32.672 -8.146 -14.226 1.00 54.54 C ATOM 821 C TYR A 51 -34.054 -7.577 -13.920 1.00 14.24 C ATOM 822 O TYR A 51 -34.326 -6.404 -14.173 1.00 2.12 O ATOM 823 CB TYR A 51 -32.587 -8.541 -15.702 1.00 34.15 C ATOM 824 CG TYR A 51 -31.178 -8.819 -16.174 1.00 11.03 C ATOM 825 CD1 TYR A 51 -30.174 -7.870 -16.025 1.00 14.04 C ATOM 826 CD2 TYR A 51 -30.850 -10.031 -16.768 1.00 72.42 C ATOM 827 CE1 TYR A 51 -28.886 -8.119 -16.455 1.00 62.43 C ATOM 828 CE2 TYR A 51 -29.564 -10.290 -17.201 1.00 22.15 C ATOM 829 CZ TYR A 51 -28.585 -9.331 -17.042 1.00 54.14 C ATOM 830 OH TYR A 51 -27.303 -9.584 -17.471 1.00 44.24 O ATOM 0 H TYR A 51 -32.638 -10.194 -13.783 1.00 22.32 H new ATOM 0 HA TYR A 51 -31.928 -7.377 -14.019 1.00 54.54 H new ATOM 0 HB2 TYR A 51 -33.198 -9.428 -15.868 1.00 34.15 H new ATOM 0 HB3 TYR A 51 -33.013 -7.742 -16.308 1.00 34.15 H new ATOM 0 HD1 TYR A 51 -30.405 -6.921 -15.565 1.00 14.04 H new ATOM 0 HD2 TYR A 51 -31.614 -10.784 -16.894 1.00 72.42 H new ATOM 0 HE1 TYR A 51 -28.118 -7.369 -16.333 1.00 62.43 H new ATOM 0 HE2 TYR A 51 -29.326 -11.238 -17.661 1.00 22.15 H new ATOM 0 HH TYR A 51 -26.881 -8.745 -17.752 1.00 44.24 H new ATOM 840 N GLY A 52 -34.925 -8.419 -13.371 1.00 53.41 N ATOM 841 CA GLY A 52 -36.269 -7.983 -13.038 1.00 2.04 C ATOM 842 C GLY A 52 -37.325 -8.649 -13.898 1.00 5.31 C ATOM 843 O GLY A 52 -37.548 -9.854 -13.795 1.00 22.33 O ATOM 0 H GLY A 52 -34.724 -9.395 -13.151 1.00 53.41 H new ATOM 0 HA2 GLY A 52 -36.469 -8.201 -11.989 1.00 2.04 H new ATOM 0 HA3 GLY A 52 -36.337 -6.902 -13.157 1.00 2.04 H new ATOM 847 N GLU A 53 -37.976 -7.861 -14.748 1.00 34.14 N ATOM 848 CA GLU A 53 -39.016 -8.382 -15.627 1.00 72.30 C ATOM 849 C GLU A 53 -38.750 -7.989 -17.077 1.00 50.12 C ATOM 850 O GLU A 53 -39.672 -7.898 -17.886 1.00 75.50 O ATOM 851 CB GLU A 53 -40.389 -7.867 -15.191 1.00 54.01 C ATOM 852 CG GLU A 53 -40.512 -6.353 -15.230 1.00 42.01 C ATOM 853 CD GLU A 53 -41.600 -5.832 -14.311 1.00 44.33 C ATOM 854 OE1 GLU A 53 -42.790 -5.976 -14.661 1.00 20.35 O ATOM 855 OE2 GLU A 53 -41.261 -5.279 -13.244 1.00 31.31 O ATOM 0 H GLU A 53 -37.802 -6.861 -14.846 1.00 34.14 H new ATOM 0 HA GLU A 53 -39.005 -9.470 -15.556 1.00 72.30 H new ATOM 0 HB2 GLU A 53 -41.152 -8.302 -15.836 1.00 54.01 H new ATOM 0 HB3 GLU A 53 -40.593 -8.214 -14.178 1.00 54.01 H new ATOM 0 HG2 GLU A 53 -39.558 -5.907 -14.947 1.00 42.01 H new ATOM 0 HG3 GLU A 53 -40.722 -6.035 -16.251 1.00 42.01 H new ATOM 862 N ASN A 54 -37.481 -7.756 -17.397 1.00 54.45 N ATOM 863 CA ASN A 54 -37.093 -7.371 -18.749 1.00 42.44 C ATOM 864 C ASN A 54 -35.596 -7.574 -18.964 1.00 0.31 C ATOM 865 O ASN A 54 -34.814 -6.624 -18.996 1.00 43.54 O ATOM 866 CB ASN A 54 -37.463 -5.910 -19.012 1.00 54.44 C ATOM 867 CG ASN A 54 -37.154 -5.013 -17.829 1.00 51.33 C ATOM 868 OD1 ASN A 54 -36.041 -4.503 -17.697 1.00 15.31 O ATOM 869 ND2 ASN A 54 -38.140 -4.817 -16.962 1.00 54.50 N ATOM 0 H ASN A 54 -36.705 -7.827 -16.739 1.00 54.45 H new ATOM 0 HA ASN A 54 -37.633 -8.008 -19.450 1.00 42.44 H new ATOM 0 HB2 ASN A 54 -36.920 -5.553 -19.887 1.00 54.44 H new ATOM 0 HB3 ASN A 54 -38.525 -5.844 -19.247 1.00 54.44 H new ATOM 0 HD21 ASN A 54 -37.991 -4.223 -16.146 1.00 54.50 H new ATOM 0 HD22 ASN A 54 -39.046 -5.260 -17.112 1.00 54.50 H new ATOM 876 N PRO A 55 -35.187 -8.842 -19.114 1.00 64.14 N ATOM 877 CA PRO A 55 -33.781 -9.200 -19.330 1.00 35.14 C ATOM 878 C PRO A 55 -33.278 -8.771 -20.704 1.00 21.34 C ATOM 879 O PRO A 55 -34.051 -8.403 -21.588 1.00 14.44 O ATOM 880 CB PRO A 55 -33.782 -10.726 -19.213 1.00 34.41 C ATOM 881 CG PRO A 55 -35.170 -11.133 -19.570 1.00 54.25 C ATOM 882 CD PRO A 55 -36.064 -10.024 -19.087 1.00 30.43 C ATOM 0 HA PRO A 55 -33.120 -8.705 -18.619 1.00 35.14 H new ATOM 0 HB2 PRO A 55 -33.052 -11.175 -19.887 1.00 34.41 H new ATOM 0 HB3 PRO A 55 -33.523 -11.046 -18.204 1.00 34.41 H new ATOM 0 HG2 PRO A 55 -35.271 -11.275 -20.646 1.00 54.25 H new ATOM 0 HG3 PRO A 55 -35.433 -12.080 -19.098 1.00 54.25 H new ATOM 0 HD2 PRO A 55 -36.931 -9.896 -19.735 1.00 30.43 H new ATOM 0 HD3 PRO A 55 -36.442 -10.221 -18.084 1.00 30.43 H new ATOM 890 N PRO A 56 -31.950 -8.820 -20.890 1.00 34.01 N ATOM 891 CA PRO A 56 -31.314 -8.441 -22.155 1.00 12.10 C ATOM 892 C PRO A 56 -31.606 -9.437 -23.272 1.00 52.00 C ATOM 893 O PRO A 56 -31.978 -10.583 -23.016 1.00 1.34 O ATOM 894 CB PRO A 56 -29.822 -8.441 -21.815 1.00 43.23 C ATOM 895 CG PRO A 56 -29.694 -9.382 -20.667 1.00 53.15 C ATOM 896 CD PRO A 56 -30.968 -9.249 -19.880 1.00 75.51 C ATOM 0 HA PRO A 56 -31.681 -7.484 -22.525 1.00 12.10 H new ATOM 0 HB2 PRO A 56 -29.223 -8.769 -22.664 1.00 43.23 H new ATOM 0 HB3 PRO A 56 -29.477 -7.442 -21.548 1.00 43.23 H new ATOM 0 HG2 PRO A 56 -29.555 -10.406 -21.015 1.00 53.15 H new ATOM 0 HG3 PRO A 56 -28.828 -9.134 -20.053 1.00 53.15 H new ATOM 0 HD2 PRO A 56 -31.254 -10.193 -19.417 1.00 75.51 H new ATOM 0 HD3 PRO A 56 -30.870 -8.517 -19.078 1.00 75.51 H new ATOM 904 N THR A 57 -31.435 -8.994 -24.514 1.00 14.33 N ATOM 905 CA THR A 57 -31.681 -9.846 -25.670 1.00 52.11 C ATOM 906 C THR A 57 -30.830 -11.109 -25.613 1.00 43.02 C ATOM 907 O THR A 57 -31.197 -12.142 -26.173 1.00 23.24 O ATOM 908 CB THR A 57 -31.390 -9.103 -26.988 1.00 2.14 C ATOM 909 OG1 THR A 57 -31.584 -9.984 -28.100 1.00 3.41 O ATOM 910 CG2 THR A 57 -29.967 -8.565 -27.002 1.00 41.02 C ATOM 0 H THR A 57 -31.127 -8.049 -24.744 1.00 14.33 H new ATOM 0 HA THR A 57 -32.736 -10.120 -25.642 1.00 52.11 H new ATOM 0 HB THR A 57 -32.080 -8.263 -27.067 1.00 2.14 H new ATOM 0 HG1 THR A 57 -31.399 -9.504 -28.934 1.00 3.41 H new ATOM 0 HG21 THR A 57 -29.784 -8.044 -27.942 1.00 41.02 H new ATOM 0 HG22 THR A 57 -29.832 -7.872 -26.171 1.00 41.02 H new ATOM 0 HG23 THR A 57 -29.264 -9.392 -26.903 1.00 41.02 H new ATOM 918 N SER A 58 -29.691 -11.019 -24.933 1.00 60.44 N ATOM 919 CA SER A 58 -28.785 -12.155 -24.806 1.00 73.11 C ATOM 920 C SER A 58 -29.401 -13.246 -23.936 1.00 34.32 C ATOM 921 O SER A 58 -29.009 -14.411 -24.009 1.00 62.24 O ATOM 922 CB SER A 58 -27.450 -11.705 -24.210 1.00 62.35 C ATOM 923 OG SER A 58 -27.591 -10.483 -23.507 1.00 30.42 O ATOM 0 H SER A 58 -29.374 -10.172 -24.462 1.00 60.44 H new ATOM 0 HA SER A 58 -28.611 -12.563 -25.802 1.00 73.11 H new ATOM 0 HB2 SER A 58 -27.071 -12.474 -23.537 1.00 62.35 H new ATOM 0 HB3 SER A 58 -26.714 -11.588 -25.006 1.00 62.35 H new ATOM 0 HG SER A 58 -27.458 -9.733 -24.124 1.00 30.42 H new ATOM 929 N CYS A 59 -30.369 -12.861 -23.111 1.00 54.43 N ATOM 930 CA CYS A 59 -31.041 -13.804 -22.225 1.00 51.34 C ATOM 931 C CYS A 59 -31.863 -14.811 -23.025 1.00 44.33 C ATOM 932 O CYS A 59 -32.259 -15.855 -22.507 1.00 54.44 O ATOM 933 CB CYS A 59 -31.945 -13.057 -21.243 1.00 34.23 C ATOM 934 SG CYS A 59 -32.729 -14.127 -19.994 1.00 10.14 S ATOM 0 H CYS A 59 -30.706 -11.901 -23.038 1.00 54.43 H new ATOM 0 HA CYS A 59 -30.278 -14.346 -21.666 1.00 51.34 H new ATOM 0 HB2 CYS A 59 -31.358 -12.293 -20.734 1.00 34.23 H new ATOM 0 HB3 CYS A 59 -32.724 -12.540 -21.804 1.00 34.23 H new ATOM 939 N SER A 60 -32.113 -14.490 -24.290 1.00 54.45 N ATOM 940 CA SER A 60 -32.890 -15.364 -25.161 1.00 53.24 C ATOM 941 C SER A 60 -32.135 -15.652 -26.455 1.00 60.32 C ATOM 942 O SER A 60 -31.181 -14.954 -26.801 1.00 35.14 O ATOM 943 CB SER A 60 -34.245 -14.729 -25.479 1.00 53.44 C ATOM 944 OG SER A 60 -34.146 -13.316 -25.536 1.00 22.13 O ATOM 0 H SER A 60 -31.789 -13.631 -24.735 1.00 54.45 H new ATOM 0 HA SER A 60 -33.052 -16.306 -24.638 1.00 53.24 H new ATOM 0 HB2 SER A 60 -34.614 -15.109 -26.432 1.00 53.44 H new ATOM 0 HB3 SER A 60 -34.972 -15.015 -24.719 1.00 53.44 H new ATOM 0 HG SER A 60 -35.025 -12.935 -25.742 1.00 22.13 H new ATOM 950 N LYS A 61 -32.568 -16.687 -27.168 1.00 12.25 N ATOM 951 CA LYS A 61 -31.936 -17.070 -28.424 1.00 43.53 C ATOM 952 C LYS A 61 -32.799 -18.070 -29.185 1.00 72.53 C ATOM 953 O LYS A 61 -33.297 -19.038 -28.610 1.00 73.41 O ATOM 954 CB LYS A 61 -30.553 -17.670 -28.161 1.00 43.51 C ATOM 955 CG LYS A 61 -29.891 -18.241 -29.403 1.00 73.22 C ATOM 956 CD LYS A 61 -28.552 -17.577 -29.678 1.00 35.11 C ATOM 957 CE LYS A 61 -28.706 -16.078 -29.886 1.00 30.25 C ATOM 958 NZ LYS A 61 -27.428 -15.443 -30.311 1.00 70.44 N ATOM 0 H LYS A 61 -33.355 -17.276 -26.896 1.00 12.25 H new ATOM 0 HA LYS A 61 -31.826 -16.174 -29.034 1.00 43.53 H new ATOM 0 HB2 LYS A 61 -29.907 -16.901 -27.736 1.00 43.51 H new ATOM 0 HB3 LYS A 61 -30.644 -18.458 -27.413 1.00 43.51 H new ATOM 0 HG2 LYS A 61 -29.747 -19.314 -29.279 1.00 73.22 H new ATOM 0 HG3 LYS A 61 -30.548 -18.105 -30.262 1.00 73.22 H new ATOM 0 HD2 LYS A 61 -27.875 -17.762 -28.844 1.00 35.11 H new ATOM 0 HD3 LYS A 61 -28.098 -18.024 -30.563 1.00 35.11 H new ATOM 0 HE2 LYS A 61 -29.472 -15.893 -30.639 1.00 30.25 H new ATOM 0 HE3 LYS A 61 -29.051 -15.616 -28.961 1.00 30.25 H new ATOM 0 HZ1 LYS A 61 -27.192 -14.668 -29.659 1.00 70.44 H new ATOM 0 HZ2 LYS A 61 -26.667 -16.151 -30.296 1.00 70.44 H new ATOM 0 HZ3 LYS A 61 -27.531 -15.066 -31.275 1.00 70.44 H new ATOM 972 N ASP A 62 -32.971 -17.832 -30.481 1.00 11.23 N ATOM 973 CA ASP A 62 -33.772 -18.714 -31.321 1.00 74.10 C ATOM 974 C ASP A 62 -35.207 -18.798 -30.808 1.00 42.25 C ATOM 975 O ASP A 62 -35.895 -19.795 -31.020 1.00 31.31 O ATOM 976 CB ASP A 62 -33.152 -20.111 -31.368 1.00 20.34 C ATOM 977 CG ASP A 62 -32.082 -20.234 -32.434 1.00 61.35 C ATOM 978 OD1 ASP A 62 -32.363 -19.884 -33.599 1.00 52.04 O ATOM 979 OD2 ASP A 62 -30.963 -20.682 -32.105 1.00 14.24 O ATOM 0 H ASP A 62 -32.566 -17.035 -30.972 1.00 11.23 H new ATOM 0 HA ASP A 62 -33.789 -18.298 -32.329 1.00 74.10 H new ATOM 0 HB2 ASP A 62 -32.720 -20.347 -30.395 1.00 20.34 H new ATOM 0 HB3 ASP A 62 -33.934 -20.846 -31.556 1.00 20.34 H new ATOM 984 N GLY A 63 -35.651 -17.743 -30.132 1.00 2.31 N ATOM 985 CA GLY A 63 -37.000 -17.718 -29.598 1.00 52.25 C ATOM 986 C GLY A 63 -37.131 -18.513 -28.315 1.00 20.13 C ATOM 987 O GLY A 63 -38.213 -18.998 -27.983 1.00 52.44 O ATOM 0 H GLY A 63 -35.100 -16.905 -29.945 1.00 2.31 H new ATOM 0 HA2 GLY A 63 -37.295 -16.685 -29.413 1.00 52.25 H new ATOM 0 HA3 GLY A 63 -37.689 -18.118 -30.342 1.00 52.25 H new ATOM 991 N VAL A 64 -36.025 -18.650 -27.590 1.00 31.01 N ATOM 992 CA VAL A 64 -36.020 -19.393 -26.335 1.00 54.14 C ATOM 993 C VAL A 64 -35.527 -18.524 -25.184 1.00 15.21 C ATOM 994 O VAL A 64 -34.788 -17.563 -25.392 1.00 42.42 O ATOM 995 CB VAL A 64 -35.135 -20.650 -26.431 1.00 14.13 C ATOM 996 CG1 VAL A 64 -33.694 -20.316 -26.077 1.00 70.41 C ATOM 997 CG2 VAL A 64 -35.674 -21.750 -25.528 1.00 43.31 C ATOM 0 H VAL A 64 -35.121 -18.256 -27.850 1.00 31.01 H new ATOM 0 HA VAL A 64 -37.049 -19.696 -26.142 1.00 54.14 H new ATOM 0 HB VAL A 64 -35.157 -21.012 -27.459 1.00 14.13 H new ATOM 0 HG11 VAL A 64 -33.083 -21.216 -26.150 1.00 70.41 H new ATOM 0 HG12 VAL A 64 -33.315 -19.563 -26.768 1.00 70.41 H new ATOM 0 HG13 VAL A 64 -33.650 -19.929 -25.059 1.00 70.41 H new ATOM 0 HG21 VAL A 64 -35.037 -22.631 -25.608 1.00 43.31 H new ATOM 0 HG22 VAL A 64 -35.683 -21.401 -24.495 1.00 43.31 H new ATOM 0 HG23 VAL A 64 -36.688 -22.007 -25.833 1.00 43.31 H new ATOM 1007 N GLN A 65 -35.942 -18.869 -23.969 1.00 73.24 N ATOM 1008 CA GLN A 65 -35.543 -18.120 -22.784 1.00 45.32 C ATOM 1009 C GLN A 65 -34.597 -18.941 -21.914 1.00 45.22 C ATOM 1010 O GLN A 65 -34.840 -20.120 -21.655 1.00 53.44 O ATOM 1011 CB GLN A 65 -36.774 -17.711 -21.974 1.00 41.21 C ATOM 1012 CG GLN A 65 -36.500 -16.606 -20.967 1.00 11.31 C ATOM 1013 CD GLN A 65 -36.394 -17.124 -19.546 1.00 62.03 C ATOM 1014 OE1 GLN A 65 -37.347 -17.686 -19.005 1.00 44.41 O ATOM 1015 NE2 GLN A 65 -35.230 -16.938 -18.933 1.00 74.25 N ATOM 0 H GLN A 65 -36.554 -19.663 -23.780 1.00 73.24 H new ATOM 0 HA GLN A 65 -35.019 -17.223 -23.112 1.00 45.32 H new ATOM 0 HB2 GLN A 65 -37.556 -17.382 -22.658 1.00 41.21 H new ATOM 0 HB3 GLN A 65 -37.158 -18.584 -21.447 1.00 41.21 H new ATOM 0 HG2 GLN A 65 -35.574 -16.098 -21.234 1.00 11.31 H new ATOM 0 HG3 GLN A 65 -37.297 -15.865 -21.021 1.00 11.31 H new ATOM 0 HE21 GLN A 65 -34.467 -16.467 -19.419 1.00 74.25 H new ATOM 0 HE22 GLN A 65 -35.099 -17.266 -17.976 1.00 74.25 H new ATOM 1024 N PHE A 66 -33.516 -18.311 -21.466 1.00 1.42 N ATOM 1025 CA PHE A 66 -32.532 -18.983 -20.626 1.00 30.43 C ATOM 1026 C PHE A 66 -32.868 -18.808 -19.148 1.00 2.54 C ATOM 1027 O PHE A 66 -32.485 -17.816 -18.525 1.00 70.22 O ATOM 1028 CB PHE A 66 -31.130 -18.440 -20.910 1.00 53.11 C ATOM 1029 CG PHE A 66 -30.679 -18.656 -22.326 1.00 75.24 C ATOM 1030 CD1 PHE A 66 -30.890 -19.872 -22.956 1.00 63.32 C ATOM 1031 CD2 PHE A 66 -30.046 -17.643 -23.028 1.00 61.31 C ATOM 1032 CE1 PHE A 66 -30.475 -20.074 -24.259 1.00 71.11 C ATOM 1033 CE2 PHE A 66 -29.629 -17.839 -24.331 1.00 74.15 C ATOM 1034 CZ PHE A 66 -29.845 -19.056 -24.948 1.00 13.00 C ATOM 0 H PHE A 66 -33.299 -17.336 -21.671 1.00 1.42 H new ATOM 0 HA PHE A 66 -32.556 -20.047 -20.863 1.00 30.43 H new ATOM 0 HB2 PHE A 66 -31.111 -17.373 -20.690 1.00 53.11 H new ATOM 0 HB3 PHE A 66 -30.420 -18.917 -20.234 1.00 53.11 H new ATOM 0 HD1 PHE A 66 -31.384 -20.671 -22.423 1.00 63.32 H new ATOM 0 HD2 PHE A 66 -29.876 -16.689 -22.551 1.00 61.31 H new ATOM 0 HE1 PHE A 66 -30.643 -21.027 -24.738 1.00 71.11 H new ATOM 0 HE2 PHE A 66 -29.135 -17.042 -24.866 1.00 74.15 H new ATOM 0 HZ PHE A 66 -29.522 -19.211 -25.967 1.00 13.00 H new ATOM 1044 N THR A 67 -33.587 -19.777 -18.591 1.00 21.23 N ATOM 1045 CA THR A 67 -33.976 -19.730 -17.187 1.00 74.01 C ATOM 1046 C THR A 67 -32.838 -20.191 -16.285 1.00 4.04 C ATOM 1047 O THR A 67 -32.943 -20.135 -15.060 1.00 33.20 O ATOM 1048 CB THR A 67 -35.216 -20.605 -16.918 1.00 45.23 C ATOM 1049 OG1 THR A 67 -34.930 -21.971 -17.240 1.00 10.43 O ATOM 1050 CG2 THR A 67 -36.405 -20.124 -17.736 1.00 21.02 C ATOM 0 H THR A 67 -33.912 -20.605 -19.091 1.00 21.23 H new ATOM 0 HA THR A 67 -34.217 -18.691 -16.961 1.00 74.01 H new ATOM 0 HB THR A 67 -35.467 -20.526 -15.860 1.00 45.23 H new ATOM 0 HG1 THR A 67 -35.722 -22.521 -17.065 1.00 10.43 H new ATOM 0 HG21 THR A 67 -37.268 -20.757 -17.530 1.00 21.02 H new ATOM 0 HG22 THR A 67 -36.638 -19.093 -17.468 1.00 21.02 H new ATOM 0 HG23 THR A 67 -36.162 -20.177 -18.797 1.00 21.02 H new ATOM 1058 N GLU A 68 -31.749 -20.645 -16.898 1.00 73.41 N ATOM 1059 CA GLU A 68 -30.591 -21.116 -16.148 1.00 62.00 C ATOM 1060 C GLU A 68 -29.745 -19.943 -15.660 1.00 74.01 C ATOM 1061 O GLU A 68 -30.029 -18.787 -15.971 1.00 74.23 O ATOM 1062 CB GLU A 68 -29.739 -22.047 -17.013 1.00 72.52 C ATOM 1063 CG GLU A 68 -30.454 -23.326 -17.416 1.00 60.34 C ATOM 1064 CD GLU A 68 -30.441 -24.373 -16.319 1.00 41.30 C ATOM 1065 OE1 GLU A 68 -30.944 -24.081 -15.214 1.00 41.01 O ATOM 1066 OE2 GLU A 68 -29.927 -25.484 -16.566 1.00 72.11 O ATOM 0 H GLU A 68 -31.645 -20.696 -17.911 1.00 73.41 H new ATOM 0 HA GLU A 68 -30.953 -21.668 -15.280 1.00 62.00 H new ATOM 0 HB2 GLU A 68 -29.432 -21.514 -17.912 1.00 72.52 H new ATOM 0 HB3 GLU A 68 -28.830 -22.305 -16.469 1.00 72.52 H new ATOM 0 HG2 GLU A 68 -31.486 -23.093 -17.679 1.00 60.34 H new ATOM 0 HG3 GLU A 68 -29.982 -23.735 -18.309 1.00 60.34 H new ATOM 1073 N GLY A 69 -28.704 -20.250 -14.892 1.00 34.30 N ATOM 1074 CA GLY A 69 -27.834 -19.212 -14.372 1.00 42.03 C ATOM 1075 C GLY A 69 -26.456 -19.241 -15.003 1.00 61.22 C ATOM 1076 O GLY A 69 -26.129 -20.159 -15.757 1.00 0.24 O ATOM 0 H GLY A 69 -28.448 -21.199 -14.621 1.00 34.30 H new ATOM 0 HA2 GLY A 69 -28.290 -18.238 -14.548 1.00 42.03 H new ATOM 0 HA3 GLY A 69 -27.739 -19.329 -13.293 1.00 42.03 H new ATOM 1080 N CYS A 70 -25.645 -18.234 -14.697 1.00 53.22 N ATOM 1081 CA CYS A 70 -24.295 -18.145 -15.241 1.00 34.52 C ATOM 1082 C CYS A 70 -23.271 -18.679 -14.243 1.00 53.21 C ATOM 1083 O CYS A 70 -22.283 -19.305 -14.628 1.00 1.45 O ATOM 1084 CB CYS A 70 -23.963 -16.697 -15.604 1.00 52.12 C ATOM 1085 SG CYS A 70 -24.623 -16.165 -17.217 1.00 1.23 S ATOM 0 H CYS A 70 -25.900 -17.467 -14.074 1.00 53.22 H new ATOM 0 HA CYS A 70 -24.252 -18.757 -16.142 1.00 34.52 H new ATOM 0 HB2 CYS A 70 -24.356 -16.040 -14.828 1.00 52.12 H new ATOM 0 HB3 CYS A 70 -22.880 -16.574 -15.608 1.00 52.12 H new ATOM 1090 N ILE A 71 -23.515 -18.427 -12.962 1.00 14.15 N ATOM 1091 CA ILE A 71 -22.616 -18.883 -11.909 1.00 42.31 C ATOM 1092 C ILE A 71 -22.474 -20.401 -11.926 1.00 51.13 C ATOM 1093 O ILE A 71 -21.399 -20.939 -11.658 1.00 55.42 O ATOM 1094 CB ILE A 71 -23.107 -18.440 -10.518 1.00 44.11 C ATOM 1095 CG1 ILE A 71 -23.213 -16.915 -10.452 1.00 41.13 C ATOM 1096 CG2 ILE A 71 -22.171 -18.958 -9.436 1.00 64.14 C ATOM 1097 CD1 ILE A 71 -24.139 -16.420 -9.364 1.00 34.22 C ATOM 0 H ILE A 71 -24.328 -17.909 -12.628 1.00 14.15 H new ATOM 0 HA ILE A 71 -21.645 -18.428 -12.104 1.00 42.31 H new ATOM 0 HB ILE A 71 -24.097 -18.862 -10.347 1.00 44.11 H new ATOM 0 HG12 ILE A 71 -22.220 -16.497 -10.290 1.00 41.13 H new ATOM 0 HG13 ILE A 71 -23.564 -16.541 -11.414 1.00 41.13 H new ATOM 0 HG21 ILE A 71 -22.531 -18.637 -8.459 1.00 64.14 H new ATOM 0 HG22 ILE A 71 -22.141 -20.047 -9.472 1.00 64.14 H new ATOM 0 HG23 ILE A 71 -21.169 -18.562 -9.601 1.00 64.14 H new ATOM 0 HD11 ILE A 71 -24.165 -15.330 -9.376 1.00 34.22 H new ATOM 0 HD12 ILE A 71 -25.143 -16.809 -9.536 1.00 34.22 H new ATOM 0 HD13 ILE A 71 -23.778 -16.763 -8.395 1.00 34.22 H new ATOM 1109 N LYS A 72 -23.566 -21.088 -12.245 1.00 42.22 N ATOM 1110 CA LYS A 72 -23.564 -22.545 -12.301 1.00 54.23 C ATOM 1111 C LYS A 72 -23.054 -23.037 -13.652 1.00 2.12 C ATOM 1112 O LYS A 72 -22.350 -24.044 -13.732 1.00 11.02 O ATOM 1113 CB LYS A 72 -24.973 -23.087 -12.048 1.00 51.25 C ATOM 1114 CG LYS A 72 -25.251 -23.401 -10.589 1.00 11.14 C ATOM 1115 CD LYS A 72 -26.708 -23.154 -10.233 1.00 25.13 C ATOM 1116 CE LYS A 72 -26.952 -21.700 -9.861 1.00 4.44 C ATOM 1117 NZ LYS A 72 -28.293 -21.502 -9.244 1.00 62.34 N ATOM 0 H LYS A 72 -24.464 -20.659 -12.469 1.00 42.22 H new ATOM 0 HA LYS A 72 -22.894 -22.913 -11.524 1.00 54.23 H new ATOM 0 HB2 LYS A 72 -25.702 -22.357 -12.399 1.00 51.25 H new ATOM 0 HB3 LYS A 72 -25.117 -23.991 -12.639 1.00 51.25 H new ATOM 0 HG2 LYS A 72 -24.997 -24.441 -10.385 1.00 11.14 H new ATOM 0 HG3 LYS A 72 -24.611 -22.786 -9.955 1.00 11.14 H new ATOM 0 HD2 LYS A 72 -27.341 -23.426 -11.078 1.00 25.13 H new ATOM 0 HD3 LYS A 72 -26.994 -23.797 -9.400 1.00 25.13 H new ATOM 0 HE2 LYS A 72 -26.180 -21.369 -9.166 1.00 4.44 H new ATOM 0 HE3 LYS A 72 -26.867 -21.078 -10.752 1.00 4.44 H new ATOM 0 HZ1 LYS A 72 -28.388 -20.516 -8.928 1.00 62.34 H new ATOM 0 HZ2 LYS A 72 -29.032 -21.713 -9.944 1.00 62.34 H new ATOM 0 HZ3 LYS A 72 -28.397 -22.138 -8.428 1.00 62.34 H new ATOM 1131 N LYS A 73 -23.411 -22.319 -14.711 1.00 73.44 N ATOM 1132 CA LYS A 73 -22.987 -22.681 -16.059 1.00 14.40 C ATOM 1133 C LYS A 73 -21.475 -22.552 -16.206 1.00 63.32 C ATOM 1134 O LYS A 73 -20.802 -23.487 -16.641 1.00 23.01 O ATOM 1135 CB LYS A 73 -23.688 -21.794 -17.091 1.00 50.00 C ATOM 1136 CG LYS A 73 -24.997 -22.372 -17.601 1.00 63.02 C ATOM 1137 CD LYS A 73 -24.796 -23.160 -18.885 1.00 4.40 C ATOM 1138 CE LYS A 73 -24.480 -24.620 -18.599 1.00 52.14 C ATOM 1139 NZ LYS A 73 -23.030 -24.917 -18.764 1.00 52.30 N ATOM 0 H LYS A 73 -23.993 -21.483 -14.662 1.00 73.44 H new ATOM 0 HA LYS A 73 -23.264 -23.721 -16.234 1.00 14.40 H new ATOM 0 HB2 LYS A 73 -23.880 -20.817 -16.647 1.00 50.00 H new ATOM 0 HB3 LYS A 73 -23.018 -21.634 -17.935 1.00 50.00 H new ATOM 0 HG2 LYS A 73 -25.431 -23.020 -16.839 1.00 63.02 H new ATOM 0 HG3 LYS A 73 -25.709 -21.565 -17.776 1.00 63.02 H new ATOM 0 HD2 LYS A 73 -25.695 -23.094 -19.498 1.00 4.40 H new ATOM 0 HD3 LYS A 73 -23.984 -22.717 -19.462 1.00 4.40 H new ATOM 0 HE2 LYS A 73 -24.787 -24.866 -17.583 1.00 52.14 H new ATOM 0 HE3 LYS A 73 -25.059 -25.255 -19.269 1.00 52.14 H new ATOM 0 HZ1 LYS A 73 -22.839 -25.894 -18.463 1.00 52.30 H new ATOM 0 HZ2 LYS A 73 -22.764 -24.805 -19.763 1.00 52.30 H new ATOM 0 HZ3 LYS A 73 -22.473 -24.260 -18.181 1.00 52.30 H new