USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 579 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 65 GLN : amide:sc= 0 K(o=-0.74,f=-1.4) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.738 K(o=-0.74,f=-1.4) USER MOD Set 2.1: A 34 SER OG : rot 89:sc= 1.48 USER MOD Set 2.2: A 38 ASN : amide:sc= -3.9! C(o=-2.4!,f=-8.3!) USER MOD Single : A 20 THR OG1 : rot 170:sc= -1.77 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.2) USER MOD Single : A 41 SER OG : rot -47:sc= 0.269 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= 1.84 (180deg=1.13) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= -0.341 (180deg=-0.4) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.028) USER MOD Single : A 51 ASN : amide:sc= -0.0436 K(o=-0.044,f=-1.1) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.402 F(o=-2.2!,f=-0.4) USER MOD Single : A 66 TYR OH : rot 142:sc= 0.195 USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= 0.554 (180deg=0.212) USER MOD Single : A 73 GLN : amide:sc= -0.0235 K(o=-0.023,f=-1.1!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.45 F(o=-2.6,f=-1.4) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.305 F(o=-1.1,f=-0.3) USER MOD Single : A 95 HIS : no HD1:sc= -2.01 K(o=-2,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 233 N ALA A 17 30.035 -22.721 -13.557 1.00 12.42 N ATOM 234 CA ALA A 17 29.879 -22.600 -15.000 1.00 42.35 C ATOM 235 C ALA A 17 29.899 -21.138 -15.434 1.00 62.44 C ATOM 236 O ALA A 17 29.351 -20.272 -14.753 1.00 42.53 O ATOM 237 CB ALA A 17 28.588 -23.267 -15.450 1.00 33.33 C ATOM 0 HA ALA A 17 30.721 -23.105 -15.474 1.00 42.35 H new ATOM 0 HB1 ALA A 17 28.485 -23.168 -16.531 1.00 33.33 H new ATOM 0 HB2 ALA A 17 28.612 -24.323 -15.183 1.00 33.33 H new ATOM 0 HB3 ALA A 17 27.741 -22.788 -14.960 1.00 33.33 H new ATOM 243 N ARG A 18 30.534 -20.872 -16.571 1.00 70.43 N ATOM 244 CA ARG A 18 30.628 -19.514 -17.095 1.00 32.44 C ATOM 245 C ARG A 18 29.311 -19.087 -17.737 1.00 34.41 C ATOM 246 O ARG A 18 28.475 -19.914 -18.104 1.00 12.32 O ATOM 247 CB ARG A 18 31.762 -19.416 -18.117 1.00 12.31 C ATOM 248 CG ARG A 18 33.115 -19.113 -17.496 1.00 64.34 C ATOM 249 CD ARG A 18 33.950 -18.212 -18.393 1.00 1.20 C ATOM 250 NE ARG A 18 35.235 -17.874 -17.786 1.00 31.54 N ATOM 251 CZ ARG A 18 35.962 -16.821 -18.142 1.00 74.52 C ATOM 252 NH1 ARG A 18 35.532 -16.008 -19.097 1.00 5.14 N1+ ATOM 253 NH2 ARG A 18 37.121 -16.580 -17.543 1.00 25.53 N ATOM 0 H ARG A 18 30.991 -21.579 -17.147 1.00 70.43 H new ATOM 0 HA ARG A 18 30.840 -18.844 -16.262 1.00 32.44 H new ATOM 0 HB2 ARG A 18 31.826 -20.355 -18.667 1.00 12.31 H new ATOM 0 HB3 ARG A 18 31.521 -18.638 -18.841 1.00 12.31 H new ATOM 0 HG2 ARG A 18 32.973 -18.633 -16.528 1.00 64.34 H new ATOM 0 HG3 ARG A 18 33.650 -20.045 -17.315 1.00 64.34 H new ATOM 0 HD2 ARG A 18 34.120 -18.709 -19.348 1.00 1.20 H new ATOM 0 HD3 ARG A 18 33.397 -17.297 -18.603 1.00 1.20 H new ATOM 0 HE ARG A 18 35.594 -18.480 -17.048 1.00 31.54 H new ATOM 0 HH11 ARG A 18 34.641 -16.191 -19.560 1.00 5.14 H new ATOM 0 HH12 ARG A 18 36.092 -15.200 -19.369 1.00 5.14 H new ATOM 0 HH21 ARG A 18 37.455 -17.204 -16.808 1.00 25.53 H new ATOM 0 HH22 ARG A 18 37.678 -15.771 -17.817 1.00 25.53 H new ATOM 267 N PRO A 19 29.120 -17.767 -17.877 1.00 3.15 N ATOM 268 CA PRO A 19 27.907 -17.201 -18.475 1.00 23.40 C ATOM 269 C PRO A 19 27.820 -17.471 -19.972 1.00 70.32 C ATOM 270 O PRO A 19 28.788 -17.912 -20.594 1.00 5.33 O ATOM 271 CB PRO A 19 28.049 -15.700 -18.209 1.00 44.10 C ATOM 272 CG PRO A 19 29.516 -15.474 -18.081 1.00 71.22 C ATOM 273 CD PRO A 19 30.075 -16.725 -17.461 1.00 71.44 C ATOM 0 HA PRO A 19 27.002 -17.639 -18.054 1.00 23.40 H new ATOM 0 HB2 PRO A 19 27.628 -15.112 -19.024 1.00 44.10 H new ATOM 0 HB3 PRO A 19 27.523 -15.408 -17.300 1.00 44.10 H new ATOM 0 HG2 PRO A 19 29.968 -15.285 -19.055 1.00 71.22 H new ATOM 0 HG3 PRO A 19 29.724 -14.604 -17.459 1.00 71.22 H new ATOM 0 HD2 PRO A 19 31.082 -16.936 -17.820 1.00 71.44 H new ATOM 0 HD3 PRO A 19 30.134 -16.644 -16.376 1.00 71.44 H new ATOM 281 N THR A 20 26.652 -17.204 -20.550 1.00 62.41 N ATOM 282 CA THR A 20 26.438 -17.420 -21.976 1.00 11.43 C ATOM 283 C THR A 20 26.528 -16.109 -22.749 1.00 21.11 C ATOM 284 O THR A 20 26.255 -15.037 -22.209 1.00 33.42 O ATOM 285 CB THR A 20 25.067 -18.068 -22.245 1.00 72.41 C ATOM 286 OG1 THR A 20 25.004 -18.534 -23.598 1.00 51.10 O ATOM 287 CG2 THR A 20 23.940 -17.078 -21.991 1.00 52.22 C ATOM 0 H THR A 20 25.840 -16.838 -20.052 1.00 62.41 H new ATOM 0 HA THR A 20 27.224 -18.094 -22.316 1.00 11.43 H new ATOM 0 HB THR A 20 24.948 -18.911 -21.564 1.00 72.41 H new ATOM 0 HG1 THR A 20 24.202 -19.084 -23.718 1.00 51.10 H new ATOM 0 HG21 THR A 20 22.982 -17.559 -22.188 1.00 52.22 H new ATOM 0 HG22 THR A 20 23.973 -16.747 -20.953 1.00 52.22 H new ATOM 0 HG23 THR A 20 24.056 -16.218 -22.650 1.00 52.22 H new ATOM 295 N VAL A 21 26.913 -16.201 -24.018 1.00 64.42 N ATOM 296 CA VAL A 21 27.038 -15.023 -24.867 1.00 34.44 C ATOM 297 C VAL A 21 25.844 -14.894 -25.808 1.00 4.33 C ATOM 298 O VAL A 21 25.788 -15.551 -26.847 1.00 53.11 O ATOM 299 CB VAL A 21 28.332 -15.066 -25.701 1.00 74.51 C ATOM 300 CG1 VAL A 21 28.454 -13.820 -26.564 1.00 1.42 C ATOM 301 CG2 VAL A 21 29.544 -15.219 -24.794 1.00 42.33 C ATOM 0 H VAL A 21 27.144 -17.080 -24.481 1.00 64.42 H new ATOM 0 HA VAL A 21 27.070 -14.158 -24.204 1.00 34.44 H new ATOM 0 HB VAL A 21 28.290 -15.932 -26.362 1.00 74.51 H new ATOM 0 HG11 VAL A 21 29.375 -13.869 -27.146 1.00 1.42 H new ATOM 0 HG12 VAL A 21 27.601 -13.760 -27.239 1.00 1.42 H new ATOM 0 HG13 VAL A 21 28.474 -12.936 -25.926 1.00 1.42 H new ATOM 0 HG21 VAL A 21 30.450 -15.248 -25.399 1.00 42.33 H new ATOM 0 HG22 VAL A 21 29.593 -14.374 -24.107 1.00 42.33 H new ATOM 0 HG23 VAL A 21 29.458 -16.145 -24.225 1.00 42.33 H new ATOM 311 N ILE A 22 24.894 -14.043 -25.435 1.00 22.23 N ATOM 312 CA ILE A 22 23.703 -13.827 -26.246 1.00 2.23 C ATOM 313 C ILE A 22 23.444 -12.339 -26.458 1.00 11.25 C ATOM 314 O ILE A 22 23.601 -11.535 -25.538 1.00 71.43 O ATOM 315 CB ILE A 22 22.459 -14.467 -25.601 1.00 43.10 C ATOM 316 CG1 ILE A 22 22.343 -15.935 -26.013 1.00 14.22 C ATOM 317 CG2 ILE A 22 21.205 -13.699 -25.994 1.00 73.20 C ATOM 318 CD1 ILE A 22 22.916 -16.896 -24.994 1.00 75.24 C ATOM 0 H ILE A 22 24.926 -13.492 -24.577 1.00 22.23 H new ATOM 0 HA ILE A 22 23.887 -14.302 -27.210 1.00 2.23 H new ATOM 0 HB ILE A 22 22.565 -14.421 -24.517 1.00 43.10 H new ATOM 0 HG12 ILE A 22 21.293 -16.176 -26.177 1.00 14.22 H new ATOM 0 HG13 ILE A 22 22.856 -16.079 -26.964 1.00 14.22 H new ATOM 0 HG21 ILE A 22 20.334 -14.163 -25.531 1.00 73.20 H new ATOM 0 HG22 ILE A 22 21.290 -12.666 -25.655 1.00 73.20 H new ATOM 0 HG23 ILE A 22 21.092 -13.717 -27.078 1.00 73.20 H new ATOM 0 HD11 ILE A 22 22.799 -17.919 -25.352 1.00 75.24 H new ATOM 0 HD12 ILE A 22 23.975 -16.682 -24.847 1.00 75.24 H new ATOM 0 HD13 ILE A 22 22.388 -16.781 -24.048 1.00 75.24 H new ATOM 330 N ARG A 23 23.045 -11.980 -27.673 1.00 22.13 N ATOM 331 CA ARG A 23 22.764 -10.589 -28.005 1.00 2.21 C ATOM 332 C ARG A 23 21.757 -10.495 -29.149 1.00 24.52 C ATOM 333 O ARG A 23 22.090 -10.762 -30.304 1.00 2.42 O ATOM 334 CB ARG A 23 24.055 -9.863 -28.387 1.00 42.34 C ATOM 335 CG ARG A 23 24.846 -10.562 -29.481 1.00 24.01 C ATOM 336 CD ARG A 23 25.124 -9.630 -30.650 1.00 73.43 C ATOM 337 NE ARG A 23 25.483 -10.364 -31.861 1.00 13.23 N ATOM 338 CZ ARG A 23 26.638 -11.002 -32.018 1.00 71.22 C ATOM 339 NH1 ARG A 23 27.539 -10.996 -31.046 1.00 41.22 N1+ ATOM 340 NH2 ARG A 23 26.892 -11.647 -33.149 1.00 52.22 N ATOM 0 H ARG A 23 22.909 -12.633 -28.444 1.00 22.13 H new ATOM 0 HA ARG A 23 22.333 -10.112 -27.125 1.00 2.21 H new ATOM 0 HB2 ARG A 23 23.810 -8.853 -28.716 1.00 42.34 H new ATOM 0 HB3 ARG A 23 24.683 -9.766 -27.501 1.00 42.34 H new ATOM 0 HG2 ARG A 23 25.789 -10.927 -29.073 1.00 24.01 H new ATOM 0 HG3 ARG A 23 24.292 -11.433 -29.832 1.00 24.01 H new ATOM 0 HD2 ARG A 23 24.243 -9.019 -30.844 1.00 73.43 H new ATOM 0 HD3 ARG A 23 25.933 -8.948 -30.386 1.00 73.43 H new ATOM 0 HE ARG A 23 24.811 -10.388 -32.628 1.00 13.23 H new ATOM 0 HH11 ARG A 23 27.346 -10.501 -30.175 1.00 41.22 H new ATOM 0 HH12 ARG A 23 28.425 -11.486 -31.169 1.00 41.22 H new ATOM 0 HH21 ARG A 23 26.201 -11.653 -33.899 1.00 52.22 H new ATOM 0 HH22 ARG A 23 27.779 -12.137 -33.269 1.00 52.22 H new ATOM 354 N TRP A 24 20.529 -10.117 -28.818 1.00 71.11 N ATOM 355 CA TRP A 24 19.474 -9.989 -29.817 1.00 14.11 C ATOM 356 C TRP A 24 19.008 -8.542 -29.934 1.00 74.11 C ATOM 357 O TRP A 24 18.703 -7.896 -28.932 1.00 40.02 O ATOM 358 CB TRP A 24 18.291 -10.891 -29.459 1.00 23.53 C ATOM 359 CG TRP A 24 17.085 -10.658 -30.317 1.00 21.02 C ATOM 360 CD1 TRP A 24 16.045 -9.813 -30.054 1.00 70.23 C ATOM 361 CD2 TRP A 24 16.794 -11.279 -31.573 1.00 12.13 C ATOM 362 NE1 TRP A 24 15.124 -9.871 -31.073 1.00 1.03 N ATOM 363 CE2 TRP A 24 15.560 -10.762 -32.017 1.00 63.20 C ATOM 364 CE3 TRP A 24 17.455 -12.219 -32.368 1.00 55.20 C ATOM 365 CZ2 TRP A 24 14.977 -11.157 -33.218 1.00 23.31 C ATOM 366 CZ3 TRP A 24 16.875 -12.610 -33.560 1.00 13.34 C ATOM 367 CH2 TRP A 24 15.646 -12.080 -33.976 1.00 42.54 C ATOM 0 H TRP A 24 20.238 -9.894 -27.866 1.00 71.11 H new ATOM 0 HA TRP A 24 19.880 -10.300 -30.780 1.00 14.11 H new ATOM 0 HB2 TRP A 24 18.597 -11.933 -29.551 1.00 23.53 H new ATOM 0 HB3 TRP A 24 18.022 -10.728 -28.415 1.00 23.53 H new ATOM 0 HD1 TRP A 24 15.959 -9.191 -29.175 1.00 70.23 H new ATOM 0 HE1 TRP A 24 14.256 -9.337 -31.119 1.00 1.03 H new ATOM 0 HE3 TRP A 24 18.403 -12.633 -32.056 1.00 55.20 H new ATOM 0 HZ2 TRP A 24 14.030 -10.750 -33.540 1.00 23.31 H new ATOM 0 HZ3 TRP A 24 17.377 -13.336 -34.182 1.00 13.34 H new ATOM 0 HH2 TRP A 24 15.219 -12.406 -34.913 1.00 42.54 H new ATOM 378 N SER A 25 18.954 -8.041 -31.164 1.00 14.13 N ATOM 379 CA SER A 25 18.527 -6.668 -31.411 1.00 42.24 C ATOM 380 C SER A 25 17.446 -6.620 -32.488 1.00 64.44 C ATOM 381 O SER A 25 17.725 -6.822 -33.670 1.00 51.21 O ATOM 382 CB SER A 25 19.721 -5.809 -31.832 1.00 73.05 C ATOM 383 OG SER A 25 19.298 -4.676 -32.571 1.00 65.11 O ATOM 0 H SER A 25 19.200 -8.564 -32.004 1.00 14.13 H new ATOM 0 HA SER A 25 18.111 -6.271 -30.485 1.00 42.24 H new ATOM 0 HB2 SER A 25 20.271 -5.486 -30.948 1.00 73.05 H new ATOM 0 HB3 SER A 25 20.407 -6.404 -32.434 1.00 73.05 H new ATOM 0 HG SER A 25 20.079 -4.142 -32.827 1.00 65.11 H new ATOM 389 N GLU A 26 16.214 -6.353 -32.069 1.00 53.54 N ATOM 390 CA GLU A 26 15.092 -6.279 -32.997 1.00 53.15 C ATOM 391 C GLU A 26 14.116 -5.181 -32.584 1.00 73.25 C ATOM 392 O GLU A 26 13.964 -4.178 -33.278 1.00 53.42 O ATOM 393 CB GLU A 26 14.365 -7.625 -33.062 1.00 25.03 C ATOM 394 CG GLU A 26 13.400 -7.739 -34.229 1.00 61.21 C ATOM 395 CD GLU A 26 14.109 -7.905 -35.559 1.00 62.40 C ATOM 396 OE1 GLU A 26 14.843 -8.902 -35.721 1.00 63.14 O1- ATOM 397 OE2 GLU A 26 13.929 -7.036 -36.439 1.00 31.44 O ATOM 0 H GLU A 26 15.967 -6.184 -31.094 1.00 53.54 H new ATOM 0 HA GLU A 26 15.486 -6.039 -33.985 1.00 53.15 H new ATOM 0 HB2 GLU A 26 15.103 -8.424 -33.132 1.00 25.03 H new ATOM 0 HB3 GLU A 26 13.817 -7.778 -32.132 1.00 25.03 H new ATOM 0 HG2 GLU A 26 12.738 -8.589 -34.066 1.00 61.21 H new ATOM 0 HG3 GLU A 26 12.772 -6.848 -34.265 1.00 61.21 H new ATOM 404 N GLY A 27 13.454 -5.382 -31.448 1.00 44.43 N ATOM 405 CA GLY A 27 12.500 -4.402 -30.963 1.00 31.34 C ATOM 406 C GLY A 27 11.143 -5.010 -30.668 1.00 63.32 C ATOM 407 O GLY A 27 10.110 -4.393 -30.923 1.00 61.55 O ATOM 0 H GLY A 27 13.562 -6.205 -30.856 1.00 44.43 H new ATOM 0 HA2 GLY A 27 12.890 -3.936 -30.058 1.00 31.34 H new ATOM 0 HA3 GLY A 27 12.387 -3.612 -31.705 1.00 31.34 H new ATOM 411 N GLY A 28 11.145 -6.226 -30.130 1.00 21.34 N ATOM 412 CA GLY A 28 9.899 -6.899 -29.811 1.00 62.33 C ATOM 413 C GLY A 28 9.348 -6.489 -28.460 1.00 50.05 C ATOM 414 O GLY A 28 9.737 -5.459 -27.909 1.00 23.31 O ATOM 0 H GLY A 28 11.987 -6.757 -29.909 1.00 21.34 H new ATOM 0 HA2 GLY A 28 9.162 -6.677 -30.583 1.00 62.33 H new ATOM 0 HA3 GLY A 28 10.059 -7.977 -29.823 1.00 62.33 H new ATOM 418 N LYS A 29 8.437 -7.294 -27.926 1.00 15.42 N ATOM 419 CA LYS A 29 7.829 -7.011 -26.631 1.00 45.44 C ATOM 420 C LYS A 29 8.462 -7.862 -25.535 1.00 12.10 C ATOM 421 O LYS A 29 8.601 -7.418 -24.395 1.00 63.53 O ATOM 422 CB LYS A 29 6.322 -7.267 -26.684 1.00 41.32 C ATOM 423 CG LYS A 29 5.579 -6.334 -27.625 1.00 72.44 C ATOM 424 CD LYS A 29 4.157 -6.083 -27.153 1.00 52.45 C ATOM 425 CE LYS A 29 4.123 -5.127 -25.970 1.00 71.52 C ATOM 426 NZ LYS A 29 2.737 -4.682 -25.657 1.00 53.32 N1+ ATOM 0 H LYS A 29 8.103 -8.149 -28.370 1.00 15.42 H new ATOM 0 HA LYS A 29 8.004 -5.961 -26.398 1.00 45.44 H new ATOM 0 HB2 LYS A 29 6.148 -8.297 -26.995 1.00 41.32 H new ATOM 0 HB3 LYS A 29 5.909 -7.162 -25.681 1.00 41.32 H new ATOM 0 HG2 LYS A 29 6.113 -5.386 -27.695 1.00 72.44 H new ATOM 0 HG3 LYS A 29 5.560 -6.765 -28.626 1.00 72.44 H new ATOM 0 HD2 LYS A 29 3.568 -5.671 -27.972 1.00 52.45 H new ATOM 0 HD3 LYS A 29 3.694 -7.029 -26.871 1.00 52.45 H new ATOM 0 HE2 LYS A 29 4.554 -5.615 -25.096 1.00 71.52 H new ATOM 0 HE3 LYS A 29 4.743 -4.258 -26.188 1.00 71.52 H new ATOM 0 HZ1 LYS A 29 2.756 -4.032 -24.845 1.00 53.32 H new ATOM 0 HZ2 LYS A 29 2.334 -4.194 -26.482 1.00 53.32 H new ATOM 0 HZ3 LYS A 29 2.151 -5.509 -25.424 1.00 53.32 H new ATOM 440 N GLU A 30 8.844 -9.085 -25.888 1.00 44.21 N ATOM 441 CA GLU A 30 9.463 -9.997 -24.933 1.00 11.54 C ATOM 442 C GLU A 30 10.383 -10.986 -25.643 1.00 2.32 C ATOM 443 O GLU A 30 10.020 -11.565 -26.666 1.00 51.51 O ATOM 444 CB GLU A 30 8.390 -10.755 -24.149 1.00 14.34 C ATOM 445 CG GLU A 30 7.449 -11.561 -25.028 1.00 21.41 C ATOM 446 CD GLU A 30 6.142 -11.892 -24.335 1.00 54.10 C ATOM 447 OE1 GLU A 30 5.943 -11.430 -23.191 1.00 74.24 O1- ATOM 448 OE2 GLU A 30 5.318 -12.614 -24.936 1.00 2.20 O ATOM 0 H GLU A 30 8.736 -9.467 -26.828 1.00 44.21 H new ATOM 0 HA GLU A 30 10.060 -9.405 -24.239 1.00 11.54 H new ATOM 0 HB2 GLU A 30 8.876 -11.426 -23.440 1.00 14.34 H new ATOM 0 HB3 GLU A 30 7.807 -10.042 -23.565 1.00 14.34 H new ATOM 0 HG2 GLU A 30 7.241 -11.001 -25.940 1.00 21.41 H new ATOM 0 HG3 GLU A 30 7.941 -12.486 -25.328 1.00 21.41 H new ATOM 455 N VAL A 31 11.578 -11.173 -25.091 1.00 1.21 N ATOM 456 CA VAL A 31 12.552 -12.092 -25.670 1.00 20.01 C ATOM 457 C VAL A 31 12.932 -13.185 -24.679 1.00 24.24 C ATOM 458 O VAL A 31 13.198 -12.912 -23.508 1.00 60.13 O ATOM 459 CB VAL A 31 13.827 -11.351 -26.115 1.00 74.23 C ATOM 460 CG1 VAL A 31 14.795 -12.312 -26.788 1.00 21.21 C ATOM 461 CG2 VAL A 31 13.476 -10.199 -27.043 1.00 53.33 C ATOM 0 H VAL A 31 11.895 -10.701 -24.244 1.00 1.21 H new ATOM 0 HA VAL A 31 12.081 -12.545 -26.542 1.00 20.01 H new ATOM 0 HB VAL A 31 14.315 -10.940 -25.231 1.00 74.23 H new ATOM 0 HG11 VAL A 31 15.690 -11.771 -27.096 1.00 21.21 H new ATOM 0 HG12 VAL A 31 15.071 -13.101 -26.088 1.00 21.21 H new ATOM 0 HG13 VAL A 31 14.319 -12.754 -27.663 1.00 21.21 H new ATOM 0 HG21 VAL A 31 14.388 -9.686 -27.348 1.00 53.33 H new ATOM 0 HG22 VAL A 31 12.965 -10.585 -27.925 1.00 53.33 H new ATOM 0 HG23 VAL A 31 12.823 -9.499 -26.523 1.00 53.33 H new ATOM 471 N PHE A 32 12.957 -14.425 -25.155 1.00 63.42 N ATOM 472 CA PHE A 32 13.305 -15.562 -24.310 1.00 64.12 C ATOM 473 C PHE A 32 14.271 -16.499 -25.030 1.00 21.54 C ATOM 474 O PHE A 32 14.239 -16.620 -26.255 1.00 42.43 O ATOM 475 CB PHE A 32 12.044 -16.326 -23.902 1.00 75.51 C ATOM 476 CG PHE A 32 11.137 -15.547 -22.994 1.00 43.43 C ATOM 477 CD1 PHE A 32 11.330 -15.562 -21.621 1.00 62.05 C ATOM 478 CD2 PHE A 32 10.094 -14.797 -23.511 1.00 72.34 C ATOM 479 CE1 PHE A 32 10.497 -14.846 -20.784 1.00 3.23 C ATOM 480 CE2 PHE A 32 9.257 -14.079 -22.679 1.00 32.23 C ATOM 481 CZ PHE A 32 9.460 -14.102 -21.313 1.00 24.12 C ATOM 0 H PHE A 32 12.740 -14.669 -26.122 1.00 63.42 H new ATOM 0 HA PHE A 32 13.796 -15.181 -23.415 1.00 64.12 H new ATOM 0 HB2 PHE A 32 11.493 -16.606 -24.800 1.00 75.51 H new ATOM 0 HB3 PHE A 32 12.335 -17.251 -23.405 1.00 75.51 H new ATOM 0 HD1 PHE A 32 12.140 -16.140 -21.202 1.00 62.05 H new ATOM 0 HD2 PHE A 32 9.933 -14.773 -24.579 1.00 72.34 H new ATOM 0 HE1 PHE A 32 10.656 -14.868 -19.716 1.00 3.23 H new ATOM 0 HE2 PHE A 32 8.446 -13.501 -23.096 1.00 32.23 H new ATOM 0 HZ PHE A 32 8.809 -13.540 -20.660 1.00 24.12 H new ATOM 491 N ILE A 33 15.129 -17.160 -24.260 1.00 13.35 N ATOM 492 CA ILE A 33 16.104 -18.086 -24.823 1.00 22.33 C ATOM 493 C ILE A 33 15.944 -19.480 -24.227 1.00 62.43 C ATOM 494 O ILE A 33 15.657 -19.631 -23.040 1.00 63.03 O ATOM 495 CB ILE A 33 17.546 -17.600 -24.584 1.00 13.21 C ATOM 496 CG1 ILE A 33 18.540 -18.508 -25.311 1.00 10.32 C ATOM 497 CG2 ILE A 33 17.850 -17.557 -23.094 1.00 22.30 C ATOM 498 CD1 ILE A 33 19.986 -18.175 -25.019 1.00 22.31 C ATOM 0 H ILE A 33 15.169 -17.071 -23.245 1.00 13.35 H new ATOM 0 HA ILE A 33 15.917 -18.128 -25.896 1.00 22.33 H new ATOM 0 HB ILE A 33 17.645 -16.591 -24.984 1.00 13.21 H new ATOM 0 HG12 ILE A 33 18.349 -19.543 -25.027 1.00 10.32 H new ATOM 0 HG13 ILE A 33 18.368 -18.435 -26.385 1.00 10.32 H new ATOM 0 HG21 ILE A 33 18.873 -17.212 -22.941 1.00 22.30 H new ATOM 0 HG22 ILE A 33 17.159 -16.873 -22.601 1.00 22.30 H new ATOM 0 HG23 ILE A 33 17.737 -18.555 -22.671 1.00 22.30 H new ATOM 0 HD11 ILE A 33 20.635 -18.858 -25.567 1.00 22.31 H new ATOM 0 HD12 ILE A 33 20.193 -17.151 -25.329 1.00 22.31 H new ATOM 0 HD13 ILE A 33 20.174 -18.276 -23.950 1.00 22.31 H new ATOM 510 N SER A 34 16.134 -20.499 -25.061 1.00 25.03 N ATOM 511 CA SER A 34 16.009 -21.882 -24.618 1.00 60.30 C ATOM 512 C SER A 34 16.929 -22.796 -25.423 1.00 10.42 C ATOM 513 O SER A 34 17.063 -22.647 -26.636 1.00 43.22 O ATOM 514 CB SER A 34 14.560 -22.354 -24.751 1.00 31.12 C ATOM 515 OG SER A 34 14.307 -23.467 -23.911 1.00 65.53 O ATOM 0 H SER A 34 16.375 -20.392 -26.046 1.00 25.03 H new ATOM 0 HA SER A 34 16.304 -21.929 -23.570 1.00 60.30 H new ATOM 0 HB2 SER A 34 13.884 -21.539 -24.493 1.00 31.12 H new ATOM 0 HB3 SER A 34 14.355 -22.623 -25.787 1.00 31.12 H new ATOM 0 HG SER A 34 14.016 -23.152 -23.030 1.00 65.53 H new ATOM 521 N GLY A 35 17.562 -23.743 -24.736 1.00 50.42 N ATOM 522 CA GLY A 35 18.462 -24.666 -25.402 1.00 51.10 C ATOM 523 C GLY A 35 18.501 -26.023 -24.729 1.00 32.54 C ATOM 524 O GLY A 35 17.639 -26.344 -23.910 1.00 42.30 O ATOM 0 H GLY A 35 17.467 -23.887 -23.731 1.00 50.42 H new ATOM 0 HA2 GLY A 35 18.151 -24.787 -26.440 1.00 51.10 H new ATOM 0 HA3 GLY A 35 19.466 -24.242 -25.418 1.00 51.10 H new ATOM 528 N SER A 36 19.503 -26.826 -25.076 1.00 50.42 N ATOM 529 CA SER A 36 19.647 -28.159 -24.504 1.00 60.21 C ATOM 530 C SER A 36 20.121 -28.080 -23.056 1.00 34.32 C ATOM 531 O SER A 36 20.000 -29.044 -22.298 1.00 45.21 O ATOM 532 CB SER A 36 20.633 -28.987 -25.330 1.00 64.21 C ATOM 533 OG SER A 36 21.931 -28.421 -25.293 1.00 43.11 O ATOM 0 H SER A 36 20.226 -26.576 -25.750 1.00 50.42 H new ATOM 0 HA SER A 36 18.671 -28.643 -24.523 1.00 60.21 H new ATOM 0 HB2 SER A 36 20.667 -30.007 -24.947 1.00 64.21 H new ATOM 0 HB3 SER A 36 20.288 -29.046 -26.362 1.00 64.21 H new ATOM 0 HG SER A 36 22.543 -28.970 -25.827 1.00 43.11 H new ATOM 539 N PHE A 37 20.659 -26.926 -22.678 1.00 5.12 N ATOM 540 CA PHE A 37 21.152 -26.721 -21.321 1.00 1.32 C ATOM 541 C PHE A 37 20.018 -26.836 -20.307 1.00 52.10 C ATOM 542 O PHE A 37 20.254 -27.001 -19.112 1.00 24.42 O ATOM 543 CB PHE A 37 21.821 -25.350 -21.201 1.00 52.43 C ATOM 544 CG PHE A 37 20.933 -24.211 -21.614 1.00 52.44 C ATOM 545 CD1 PHE A 37 20.022 -23.667 -20.723 1.00 64.24 C ATOM 546 CD2 PHE A 37 21.009 -23.685 -22.894 1.00 12.31 C ATOM 547 CE1 PHE A 37 19.203 -22.618 -21.100 1.00 64.25 C ATOM 548 CE2 PHE A 37 20.193 -22.637 -23.277 1.00 24.25 C ATOM 549 CZ PHE A 37 19.288 -22.104 -22.379 1.00 63.21 C ATOM 0 H PHE A 37 20.765 -26.118 -23.292 1.00 5.12 H new ATOM 0 HA PHE A 37 21.887 -27.497 -21.107 1.00 1.32 H new ATOM 0 HB2 PHE A 37 22.137 -25.198 -20.169 1.00 52.43 H new ATOM 0 HB3 PHE A 37 22.722 -25.339 -21.815 1.00 52.43 H new ATOM 0 HD1 PHE A 37 19.951 -24.067 -19.722 1.00 64.24 H new ATOM 0 HD2 PHE A 37 21.714 -24.099 -23.600 1.00 12.31 H new ATOM 0 HE1 PHE A 37 18.498 -22.202 -20.395 1.00 64.25 H new ATOM 0 HE2 PHE A 37 20.263 -22.235 -24.277 1.00 24.25 H new ATOM 0 HZ PHE A 37 18.648 -21.287 -22.677 1.00 63.21 H new ATOM 559 N ASN A 38 18.785 -26.745 -20.795 1.00 73.11 N ATOM 560 CA ASN A 38 17.613 -26.839 -19.932 1.00 10.42 C ATOM 561 C ASN A 38 16.618 -27.861 -20.473 1.00 21.43 C ATOM 562 O ASN A 38 15.472 -27.922 -20.030 1.00 31.21 O ATOM 563 CB ASN A 38 16.937 -25.471 -19.805 1.00 72.03 C ATOM 564 CG ASN A 38 15.990 -25.186 -20.954 1.00 64.24 C ATOM 565 OD1 ASN A 38 14.821 -25.570 -20.921 1.00 35.42 O ATOM 566 ND2 ASN A 38 16.492 -24.508 -21.980 1.00 44.21 N ATOM 0 H ASN A 38 18.572 -26.606 -21.783 1.00 73.11 H new ATOM 0 HA ASN A 38 17.944 -27.168 -18.947 1.00 10.42 H new ATOM 0 HB2 ASN A 38 16.387 -25.426 -18.865 1.00 72.03 H new ATOM 0 HB3 ASN A 38 17.700 -24.694 -19.765 1.00 72.03 H new ATOM 0 HD21 ASN A 38 15.902 -24.286 -22.782 1.00 44.21 H new ATOM 0 HD22 ASN A 38 17.467 -24.209 -21.966 1.00 44.21 H new ATOM 573 N ASN A 39 17.067 -28.663 -21.434 1.00 32.24 N ATOM 574 CA ASN A 39 16.216 -29.683 -22.035 1.00 20.50 C ATOM 575 C ASN A 39 15.035 -29.048 -22.763 1.00 23.03 C ATOM 576 O ASN A 39 14.019 -29.699 -23.004 1.00 14.24 O ATOM 577 CB ASN A 39 15.709 -30.651 -20.964 1.00 75.11 C ATOM 578 CG ASN A 39 15.408 -32.029 -21.525 1.00 4.44 C ATOM 579 OD1 ASN A 39 15.324 -32.212 -22.738 1.00 63.34 O ATOM 580 ND2 ASN A 39 15.245 -33.004 -20.639 1.00 64.12 N ATOM 0 H ASN A 39 18.014 -28.626 -21.812 1.00 32.24 H new ATOM 0 HA ASN A 39 16.813 -30.235 -22.761 1.00 20.50 H new ATOM 0 HB2 ASN A 39 16.455 -30.738 -20.174 1.00 75.11 H new ATOM 0 HB3 ASN A 39 14.808 -30.243 -20.507 1.00 75.11 H new ATOM 0 HD21 ASN A 39 15.041 -33.952 -20.956 1.00 64.12 H new ATOM 0 HD22 ASN A 39 15.324 -32.805 -19.642 1.00 64.12 H new ATOM 587 N TRP A 40 15.178 -27.775 -23.112 1.00 1.42 N ATOM 588 CA TRP A 40 14.124 -27.051 -23.812 1.00 70.44 C ATOM 589 C TRP A 40 12.792 -27.188 -23.083 1.00 14.41 C ATOM 590 O TRP A 40 11.730 -27.192 -23.705 1.00 75.11 O ATOM 591 CB TRP A 40 13.989 -27.568 -25.246 1.00 13.40 C ATOM 592 CG TRP A 40 15.290 -27.602 -25.989 1.00 42.11 C ATOM 593 CD1 TRP A 40 16.296 -28.512 -25.837 1.00 21.54 C ATOM 594 CD2 TRP A 40 15.724 -26.686 -27.000 1.00 5.34 C ATOM 595 NE1 TRP A 40 17.331 -28.217 -26.692 1.00 63.33 N ATOM 596 CE2 TRP A 40 17.004 -27.102 -27.417 1.00 3.45 C ATOM 597 CE3 TRP A 40 15.157 -25.556 -27.594 1.00 11.54 C ATOM 598 CZ2 TRP A 40 17.723 -26.425 -28.398 1.00 62.33 C ATOM 599 CZ3 TRP A 40 15.872 -24.885 -28.568 1.00 53.04 C ATOM 600 CH2 TRP A 40 17.143 -25.321 -28.963 1.00 62.54 C ATOM 0 H TRP A 40 16.014 -27.223 -22.922 1.00 1.42 H new ATOM 0 HA TRP A 40 14.397 -25.996 -23.836 1.00 70.44 H new ATOM 0 HB2 TRP A 40 13.565 -28.572 -25.224 1.00 13.40 H new ATOM 0 HB3 TRP A 40 13.285 -26.936 -25.788 1.00 13.40 H new ATOM 0 HD1 TRP A 40 16.281 -29.342 -25.146 1.00 21.54 H new ATOM 0 HE1 TRP A 40 18.201 -28.743 -26.773 1.00 63.33 H new ATOM 0 HE3 TRP A 40 14.177 -25.213 -27.297 1.00 11.54 H new ATOM 0 HZ2 TRP A 40 18.704 -26.759 -28.703 1.00 62.33 H new ATOM 0 HZ3 TRP A 40 15.443 -24.009 -29.033 1.00 53.04 H new ATOM 0 HH2 TRP A 40 17.676 -24.776 -29.728 1.00 62.54 H new ATOM 611 N SER A 41 12.855 -27.299 -21.760 1.00 25.55 N ATOM 612 CA SER A 41 11.654 -27.440 -20.945 1.00 24.31 C ATOM 613 C SER A 41 11.382 -26.164 -20.154 1.00 73.12 C ATOM 614 O SER A 41 10.583 -26.159 -19.216 1.00 72.53 O ATOM 615 CB SER A 41 11.795 -28.626 -19.990 1.00 23.43 C ATOM 616 OG SER A 41 10.539 -29.005 -19.456 1.00 55.35 O ATOM 0 H SER A 41 13.726 -27.294 -21.229 1.00 25.55 H new ATOM 0 HA SER A 41 10.811 -27.620 -21.612 1.00 24.31 H new ATOM 0 HB2 SER A 41 12.239 -29.470 -20.517 1.00 23.43 H new ATOM 0 HB3 SER A 41 12.474 -28.364 -19.179 1.00 23.43 H new ATOM 0 HG SER A 41 10.061 -28.207 -19.147 1.00 55.35 H new ATOM 622 N THR A 42 12.053 -25.082 -20.538 1.00 74.23 N ATOM 623 CA THR A 42 11.886 -23.801 -19.865 1.00 14.13 C ATOM 624 C THR A 42 12.491 -22.666 -20.684 1.00 20.24 C ATOM 625 O THR A 42 13.509 -22.845 -21.354 1.00 53.41 O ATOM 626 CB THR A 42 12.532 -23.812 -18.467 1.00 54.43 C ATOM 627 OG1 THR A 42 12.318 -22.553 -17.818 1.00 52.32 O ATOM 628 CG2 THR A 42 14.024 -24.090 -18.564 1.00 23.45 C ATOM 0 H THR A 42 12.717 -25.068 -21.312 1.00 74.23 H new ATOM 0 HA THR A 42 10.814 -23.637 -19.760 1.00 14.13 H new ATOM 0 HB THR A 42 12.067 -24.605 -17.882 1.00 54.43 H new ATOM 0 HG1 THR A 42 12.730 -22.569 -16.929 1.00 52.32 H new ATOM 0 HG21 THR A 42 14.459 -24.093 -17.565 1.00 23.45 H new ATOM 0 HG22 THR A 42 14.183 -25.061 -19.032 1.00 23.45 H new ATOM 0 HG23 THR A 42 14.500 -23.315 -19.165 1.00 23.45 H new ATOM 636 N LYS A 43 11.860 -21.499 -20.627 1.00 1.11 N ATOM 637 CA LYS A 43 12.337 -20.333 -21.361 1.00 64.11 C ATOM 638 C LYS A 43 13.044 -19.354 -20.429 1.00 3.12 C ATOM 639 O LYS A 43 12.445 -18.841 -19.483 1.00 72.24 O ATOM 640 CB LYS A 43 11.170 -19.634 -22.063 1.00 65.14 C ATOM 641 CG LYS A 43 10.817 -20.244 -23.409 1.00 42.20 C ATOM 642 CD LYS A 43 10.264 -19.200 -24.366 1.00 2.13 C ATOM 643 CE LYS A 43 9.198 -19.789 -25.276 1.00 63.12 C ATOM 644 NZ LYS A 43 7.929 -19.013 -25.220 1.00 4.54 N1+ ATOM 0 H LYS A 43 11.015 -21.335 -20.079 1.00 1.11 H new ATOM 0 HA LYS A 43 13.052 -20.674 -22.110 1.00 64.11 H new ATOM 0 HB2 LYS A 43 10.294 -19.670 -21.416 1.00 65.14 H new ATOM 0 HB3 LYS A 43 11.419 -18.582 -22.204 1.00 65.14 H new ATOM 0 HG2 LYS A 43 11.704 -20.705 -23.844 1.00 42.20 H new ATOM 0 HG3 LYS A 43 10.082 -21.036 -23.269 1.00 42.20 H new ATOM 0 HD2 LYS A 43 9.842 -18.371 -23.798 1.00 2.13 H new ATOM 0 HD3 LYS A 43 11.075 -18.792 -24.970 1.00 2.13 H new ATOM 0 HE2 LYS A 43 9.567 -19.808 -26.302 1.00 63.12 H new ATOM 0 HE3 LYS A 43 9.005 -20.822 -24.987 1.00 63.12 H new ATOM 0 HZ1 LYS A 43 7.138 -19.620 -25.515 1.00 4.54 H new ATOM 0 HZ2 LYS A 43 7.767 -18.682 -24.247 1.00 4.54 H new ATOM 0 HZ3 LYS A 43 7.994 -18.194 -25.858 1.00 4.54 H new ATOM 658 N ILE A 44 14.319 -19.099 -20.703 1.00 22.14 N ATOM 659 CA ILE A 44 15.105 -18.180 -19.889 1.00 54.22 C ATOM 660 C ILE A 44 14.857 -16.733 -20.301 1.00 22.01 C ATOM 661 O ILE A 44 14.884 -16.383 -21.481 1.00 31.33 O ATOM 662 CB ILE A 44 16.611 -18.481 -19.996 1.00 4.25 C ATOM 663 CG1 ILE A 44 16.987 -19.647 -19.078 1.00 44.15 C ATOM 664 CG2 ILE A 44 17.426 -17.244 -19.650 1.00 14.54 C ATOM 665 CD1 ILE A 44 16.392 -20.969 -19.507 1.00 62.32 C ATOM 0 H ILE A 44 14.829 -19.516 -21.482 1.00 22.14 H new ATOM 0 HA ILE A 44 14.787 -18.321 -18.856 1.00 54.22 H new ATOM 0 HB ILE A 44 16.837 -18.764 -21.024 1.00 4.25 H new ATOM 0 HG12 ILE A 44 18.073 -19.739 -19.047 1.00 44.15 H new ATOM 0 HG13 ILE A 44 16.657 -19.421 -18.064 1.00 44.15 H new ATOM 0 HG21 ILE A 44 18.488 -17.474 -19.731 1.00 14.54 H new ATOM 0 HG22 ILE A 44 17.176 -16.439 -20.340 1.00 14.54 H new ATOM 0 HG23 ILE A 44 17.199 -16.932 -18.631 1.00 14.54 H new ATOM 0 HD11 ILE A 44 16.700 -21.750 -18.811 1.00 62.32 H new ATOM 0 HD12 ILE A 44 15.305 -20.895 -19.510 1.00 62.32 H new ATOM 0 HD13 ILE A 44 16.742 -21.217 -20.509 1.00 62.32 H new ATOM 677 N PRO A 45 14.612 -15.868 -19.305 1.00 72.14 N ATOM 678 CA PRO A 45 14.357 -14.443 -19.538 1.00 74.30 C ATOM 679 C PRO A 45 15.602 -13.701 -20.007 1.00 3.41 C ATOM 680 O PRO A 45 16.687 -13.873 -19.450 1.00 31.12 O ATOM 681 CB PRO A 45 13.914 -13.933 -18.165 1.00 2.44 C ATOM 682 CG PRO A 45 14.535 -14.876 -17.192 1.00 44.21 C ATOM 683 CD PRO A 45 14.564 -16.215 -17.875 1.00 20.33 C ATOM 0 HA PRO A 45 13.619 -14.284 -20.325 1.00 74.30 H new ATOM 0 HB2 PRO A 45 14.251 -12.910 -17.995 1.00 2.44 H new ATOM 0 HB3 PRO A 45 12.828 -13.930 -18.075 1.00 2.44 H new ATOM 0 HG2 PRO A 45 15.541 -14.553 -16.923 1.00 44.21 H new ATOM 0 HG3 PRO A 45 13.957 -14.921 -16.269 1.00 44.21 H new ATOM 0 HD2 PRO A 45 15.433 -16.801 -17.574 1.00 20.33 H new ATOM 0 HD3 PRO A 45 13.681 -16.808 -17.635 1.00 20.33 H new ATOM 691 N LEU A 46 15.441 -12.874 -21.034 1.00 64.14 N ATOM 692 CA LEU A 46 16.554 -12.103 -21.578 1.00 65.52 C ATOM 693 C LEU A 46 16.641 -10.731 -20.918 1.00 32.13 C ATOM 694 O LEU A 46 15.852 -9.835 -21.220 1.00 65.14 O ATOM 695 CB LEU A 46 16.398 -11.945 -23.092 1.00 61.33 C ATOM 696 CG LEU A 46 17.373 -12.747 -23.955 1.00 32.01 C ATOM 697 CD1 LEU A 46 16.852 -14.158 -24.177 1.00 34.30 C ATOM 698 CD2 LEU A 46 17.608 -12.047 -25.285 1.00 72.32 C ATOM 0 H LEU A 46 14.551 -12.720 -21.507 1.00 64.14 H new ATOM 0 HA LEU A 46 17.476 -12.645 -21.368 1.00 65.52 H new ATOM 0 HB2 LEU A 46 15.382 -12.232 -23.364 1.00 61.33 H new ATOM 0 HB3 LEU A 46 16.508 -10.889 -23.340 1.00 61.33 H new ATOM 0 HG LEU A 46 18.325 -12.812 -23.429 1.00 32.01 H new ATOM 0 HD11 LEU A 46 17.559 -14.714 -24.793 1.00 34.30 H new ATOM 0 HD12 LEU A 46 16.736 -14.659 -23.216 1.00 34.30 H new ATOM 0 HD13 LEU A 46 15.887 -14.114 -24.682 1.00 34.30 H new ATOM 0 HD21 LEU A 46 18.304 -12.632 -25.886 1.00 72.32 H new ATOM 0 HD22 LEU A 46 16.662 -11.950 -25.817 1.00 72.32 H new ATOM 0 HD23 LEU A 46 18.027 -11.057 -25.106 1.00 72.32 H new ATOM 710 N ILE A 47 17.605 -10.575 -20.017 1.00 14.12 N ATOM 711 CA ILE A 47 17.797 -9.310 -19.316 1.00 74.30 C ATOM 712 C ILE A 47 17.859 -8.144 -20.296 1.00 14.44 C ATOM 713 O ILE A 47 18.823 -7.999 -21.047 1.00 31.41 O ATOM 714 CB ILE A 47 19.083 -9.326 -18.471 1.00 0.44 C ATOM 715 CG1 ILE A 47 18.818 -9.973 -17.110 1.00 30.24 C ATOM 716 CG2 ILE A 47 19.618 -7.912 -18.294 1.00 33.01 C ATOM 717 CD1 ILE A 47 18.186 -11.345 -17.207 1.00 44.14 C ATOM 0 H ILE A 47 18.265 -11.307 -19.755 1.00 14.12 H new ATOM 0 HA ILE A 47 16.940 -9.180 -18.655 1.00 74.30 H new ATOM 0 HB ILE A 47 19.835 -9.917 -18.994 1.00 0.44 H new ATOM 0 HG12 ILE A 47 19.759 -10.053 -16.565 1.00 30.24 H new ATOM 0 HG13 ILE A 47 18.166 -9.322 -16.528 1.00 30.24 H new ATOM 0 HG21 ILE A 47 20.528 -7.940 -17.694 1.00 33.01 H new ATOM 0 HG22 ILE A 47 19.840 -7.482 -19.271 1.00 33.01 H new ATOM 0 HG23 ILE A 47 18.870 -7.300 -17.790 1.00 33.01 H new ATOM 0 HD11 ILE A 47 18.027 -11.744 -16.205 1.00 44.14 H new ATOM 0 HD12 ILE A 47 17.229 -11.269 -17.724 1.00 44.14 H new ATOM 0 HD13 ILE A 47 18.846 -12.011 -17.762 1.00 44.14 H new ATOM 729 N LYS A 48 16.824 -7.311 -20.281 1.00 15.21 N ATOM 730 CA LYS A 48 16.760 -6.153 -21.165 1.00 3.13 C ATOM 731 C LYS A 48 17.853 -5.147 -20.822 1.00 43.44 C ATOM 732 O LYS A 48 18.047 -4.798 -19.658 1.00 42.12 O ATOM 733 CB LYS A 48 15.387 -5.484 -21.066 1.00 15.03 C ATOM 734 CG LYS A 48 14.754 -5.191 -22.415 1.00 21.42 C ATOM 735 CD LYS A 48 13.339 -4.657 -22.263 1.00 24.00 C ATOM 736 CE LYS A 48 12.445 -5.648 -21.532 1.00 64.10 C ATOM 737 NZ LYS A 48 12.467 -6.992 -22.173 1.00 1.32 N1+ ATOM 0 H LYS A 48 16.017 -7.416 -19.666 1.00 15.21 H new ATOM 0 HA LYS A 48 16.915 -6.499 -22.187 1.00 3.13 H new ATOM 0 HB2 LYS A 48 14.719 -6.127 -20.493 1.00 15.03 H new ATOM 0 HB3 LYS A 48 15.486 -4.551 -20.510 1.00 15.03 H new ATOM 0 HG2 LYS A 48 15.362 -4.464 -22.953 1.00 21.42 H new ATOM 0 HG3 LYS A 48 14.738 -6.100 -23.016 1.00 21.42 H new ATOM 0 HD2 LYS A 48 13.361 -3.714 -21.717 1.00 24.00 H new ATOM 0 HD3 LYS A 48 12.921 -4.445 -23.247 1.00 24.00 H new ATOM 0 HE2 LYS A 48 12.770 -5.735 -20.495 1.00 64.10 H new ATOM 0 HE3 LYS A 48 11.423 -5.271 -21.515 1.00 64.10 H new ATOM 0 HZ1 LYS A 48 11.770 -7.609 -21.709 1.00 1.32 H new ATOM 0 HZ2 LYS A 48 12.230 -6.900 -23.182 1.00 1.32 H new ATOM 0 HZ3 LYS A 48 13.416 -7.407 -22.077 1.00 1.32 H new ATOM 751 N SER A 49 18.565 -4.682 -21.844 1.00 43.44 N ATOM 752 CA SER A 49 19.641 -3.717 -21.651 1.00 72.14 C ATOM 753 C SER A 49 19.275 -2.366 -22.259 1.00 60.13 C ATOM 754 O SER A 49 18.285 -2.246 -22.982 1.00 5.42 O ATOM 755 CB SER A 49 20.938 -4.235 -22.275 1.00 41.12 C ATOM 756 OG SER A 49 22.071 -3.661 -21.647 1.00 21.32 O ATOM 0 H SER A 49 18.416 -4.958 -22.814 1.00 43.44 H new ATOM 0 HA SER A 49 19.789 -3.586 -20.579 1.00 72.14 H new ATOM 0 HB2 SER A 49 20.980 -5.321 -22.186 1.00 41.12 H new ATOM 0 HB3 SER A 49 20.951 -4.002 -23.340 1.00 41.12 H new ATOM 0 HG SER A 49 22.887 -4.010 -22.063 1.00 21.32 H new ATOM 762 N HIS A 50 20.082 -1.353 -21.962 1.00 41.43 N ATOM 763 CA HIS A 50 19.845 -0.009 -22.480 1.00 30.33 C ATOM 764 C HIS A 50 20.085 0.043 -23.986 1.00 5.15 C ATOM 765 O HIS A 50 19.734 1.019 -24.646 1.00 32.14 O ATOM 766 CB HIS A 50 20.748 1.000 -21.771 1.00 41.03 C ATOM 767 CG HIS A 50 20.151 1.562 -20.518 1.00 40.43 C ATOM 768 ND1 HIS A 50 20.756 2.555 -19.776 1.00 11.43 N ATOM 769 CD2 HIS A 50 18.995 1.268 -19.878 1.00 70.45 C ATOM 770 CE1 HIS A 50 19.998 2.845 -18.733 1.00 0.03 C ATOM 771 NE2 HIS A 50 18.924 2.078 -18.772 1.00 34.54 N ATOM 0 H HIS A 50 20.905 -1.436 -21.366 1.00 41.43 H new ATOM 0 HA HIS A 50 18.804 0.250 -22.288 1.00 30.33 H new ATOM 0 HB2 HIS A 50 21.696 0.519 -21.528 1.00 41.03 H new ATOM 0 HB3 HIS A 50 20.972 1.818 -22.455 1.00 41.03 H new ATOM 0 HD2 HIS A 50 18.264 0.533 -20.181 1.00 70.45 H new ATOM 0 HE1 HIS A 50 20.219 3.584 -17.977 1.00 0.03 H new ATOM 0 HE2 HIS A 50 18.165 2.086 -18.091 1.00 34.54 H new ATOM 779 N ASN A 51 20.690 -1.013 -24.521 1.00 15.24 N ATOM 780 CA ASN A 51 20.978 -1.086 -25.947 1.00 64.25 C ATOM 781 C ASN A 51 20.098 -2.130 -26.628 1.00 63.54 C ATOM 782 O ASN A 51 19.362 -1.821 -27.565 1.00 35.54 O ATOM 783 CB ASN A 51 22.454 -1.421 -26.173 1.00 63.32 C ATOM 784 CG ASN A 51 22.900 -1.137 -27.595 1.00 44.03 C ATOM 785 OD1 ASN A 51 22.393 -1.731 -28.547 1.00 43.11 O ATOM 786 ND2 ASN A 51 23.855 -0.226 -27.744 1.00 71.10 N ATOM 0 H ASN A 51 20.990 -1.829 -23.988 1.00 15.24 H new ATOM 0 HA ASN A 51 20.761 -0.112 -26.386 1.00 64.25 H new ATOM 0 HB2 ASN A 51 23.065 -0.842 -25.481 1.00 63.32 H new ATOM 0 HB3 ASN A 51 22.624 -2.473 -25.945 1.00 63.32 H new ATOM 0 HD21 ASN A 51 24.197 0.006 -28.676 1.00 71.10 H new ATOM 0 HD22 ASN A 51 24.246 0.241 -26.926 1.00 71.10 H new ATOM 793 N ASP A 52 20.181 -3.368 -26.151 1.00 2.33 N ATOM 794 CA ASP A 52 19.392 -4.458 -26.711 1.00 51.51 C ATOM 795 C ASP A 52 19.165 -5.554 -25.674 1.00 40.41 C ATOM 796 O ASP A 52 19.481 -5.384 -24.497 1.00 50.31 O ATOM 797 CB ASP A 52 20.089 -5.040 -27.942 1.00 20.42 C ATOM 798 CG ASP A 52 21.436 -5.650 -27.610 1.00 4.32 C ATOM 799 OD1 ASP A 52 21.469 -6.633 -26.840 1.00 62.31 O ATOM 800 OD2 ASP A 52 22.458 -5.145 -28.121 1.00 62.02 O1- ATOM 0 H ASP A 52 20.787 -3.641 -25.377 1.00 2.33 H new ATOM 0 HA ASP A 52 18.423 -4.057 -27.007 1.00 51.51 H new ATOM 0 HB2 ASP A 52 19.450 -5.800 -28.392 1.00 20.42 H new ATOM 0 HB3 ASP A 52 20.223 -4.254 -28.686 1.00 20.42 H new ATOM 805 N PHE A 53 18.613 -6.677 -26.120 1.00 23.22 N ATOM 806 CA PHE A 53 18.342 -7.800 -25.230 1.00 74.32 C ATOM 807 C PHE A 53 19.574 -8.689 -25.083 1.00 74.52 C ATOM 808 O PHE A 53 20.364 -8.833 -26.017 1.00 63.11 O ATOM 809 CB PHE A 53 17.165 -8.624 -25.758 1.00 20.02 C ATOM 810 CG PHE A 53 15.963 -7.795 -26.109 1.00 51.11 C ATOM 811 CD1 PHE A 53 15.868 -7.178 -27.345 1.00 71.15 C ATOM 812 CD2 PHE A 53 14.928 -7.633 -25.202 1.00 41.23 C ATOM 813 CE1 PHE A 53 14.763 -6.414 -27.672 1.00 34.33 C ATOM 814 CE2 PHE A 53 13.820 -6.871 -25.523 1.00 25.13 C ATOM 815 CZ PHE A 53 13.738 -6.259 -26.759 1.00 23.43 C ATOM 0 H PHE A 53 18.345 -6.834 -27.091 1.00 23.22 H new ATOM 0 HA PHE A 53 18.086 -7.400 -24.249 1.00 74.32 H new ATOM 0 HB2 PHE A 53 17.486 -9.177 -26.641 1.00 20.02 H new ATOM 0 HB3 PHE A 53 16.881 -9.361 -25.006 1.00 20.02 H new ATOM 0 HD1 PHE A 53 16.667 -7.295 -28.062 1.00 71.15 H new ATOM 0 HD2 PHE A 53 14.988 -8.107 -24.234 1.00 41.23 H new ATOM 0 HE1 PHE A 53 14.701 -5.939 -28.640 1.00 34.33 H new ATOM 0 HE2 PHE A 53 13.019 -6.754 -24.808 1.00 25.13 H new ATOM 0 HZ PHE A 53 12.875 -5.661 -27.011 1.00 23.43 H new ATOM 825 N VAL A 54 19.731 -9.283 -23.905 1.00 60.01 N ATOM 826 CA VAL A 54 20.866 -10.157 -23.635 1.00 21.43 C ATOM 827 C VAL A 54 20.503 -11.229 -22.613 1.00 43.31 C ATOM 828 O VAL A 54 19.759 -10.972 -21.667 1.00 73.14 O ATOM 829 CB VAL A 54 22.079 -9.361 -23.119 1.00 12.13 C ATOM 830 CG1 VAL A 54 23.233 -10.296 -22.793 1.00 42.10 C ATOM 831 CG2 VAL A 54 22.501 -8.314 -24.139 1.00 4.03 C ATOM 0 H VAL A 54 19.086 -9.175 -23.122 1.00 60.01 H new ATOM 0 HA VAL A 54 21.130 -10.633 -24.579 1.00 21.43 H new ATOM 0 HB VAL A 54 21.791 -8.847 -22.202 1.00 12.13 H new ATOM 0 HG11 VAL A 54 24.081 -9.715 -22.430 1.00 42.10 H new ATOM 0 HG12 VAL A 54 22.922 -11.003 -22.024 1.00 42.10 H new ATOM 0 HG13 VAL A 54 23.525 -10.841 -23.691 1.00 42.10 H new ATOM 0 HG21 VAL A 54 23.359 -7.761 -23.758 1.00 4.03 H new ATOM 0 HG22 VAL A 54 22.771 -8.805 -25.074 1.00 4.03 H new ATOM 0 HG23 VAL A 54 21.675 -7.625 -24.317 1.00 4.03 H new ATOM 841 N ALA A 55 21.035 -12.431 -22.809 1.00 4.51 N ATOM 842 CA ALA A 55 20.770 -13.541 -21.903 1.00 54.01 C ATOM 843 C ALA A 55 22.040 -13.974 -21.178 1.00 32.03 C ATOM 844 O ALA A 55 23.130 -13.951 -21.750 1.00 42.01 O ATOM 845 CB ALA A 55 20.169 -14.713 -22.666 1.00 40.42 C ATOM 0 H ALA A 55 21.652 -12.661 -23.588 1.00 4.51 H new ATOM 0 HA ALA A 55 20.053 -13.203 -21.154 1.00 54.01 H new ATOM 0 HB1 ALA A 55 19.976 -15.535 -21.977 1.00 40.42 H new ATOM 0 HB2 ALA A 55 19.234 -14.403 -23.132 1.00 40.42 H new ATOM 0 HB3 ALA A 55 20.866 -15.041 -23.437 1.00 40.42 H new ATOM 851 N ILE A 56 21.891 -14.367 -19.918 1.00 34.40 N ATOM 852 CA ILE A 56 23.026 -14.805 -19.116 1.00 21.40 C ATOM 853 C ILE A 56 22.669 -16.029 -18.278 1.00 72.24 C ATOM 854 O ILE A 56 21.727 -15.998 -17.485 1.00 72.43 O ATOM 855 CB ILE A 56 23.522 -13.686 -18.182 1.00 50.33 C ATOM 856 CG1 ILE A 56 23.912 -12.449 -18.994 1.00 71.52 C ATOM 857 CG2 ILE A 56 24.699 -14.173 -17.349 1.00 41.55 C ATOM 858 CD1 ILE A 56 25.057 -12.692 -19.952 1.00 74.44 C ATOM 0 H ILE A 56 20.995 -14.391 -19.430 1.00 34.40 H new ATOM 0 HA ILE A 56 23.822 -15.064 -19.814 1.00 21.40 H new ATOM 0 HB ILE A 56 22.712 -13.413 -17.505 1.00 50.33 H new ATOM 0 HG12 ILE A 56 23.044 -12.106 -19.557 1.00 71.52 H new ATOM 0 HG13 ILE A 56 24.186 -11.646 -18.309 1.00 71.52 H new ATOM 0 HG21 ILE A 56 25.038 -13.370 -16.694 1.00 41.55 H new ATOM 0 HG22 ILE A 56 24.390 -15.027 -16.746 1.00 41.55 H new ATOM 0 HG23 ILE A 56 25.513 -14.471 -18.009 1.00 41.55 H new ATOM 0 HD11 ILE A 56 25.279 -11.773 -20.494 1.00 74.44 H new ATOM 0 HD12 ILE A 56 25.939 -13.006 -19.393 1.00 74.44 H new ATOM 0 HD13 ILE A 56 24.779 -13.472 -20.660 1.00 74.44 H new ATOM 870 N LEU A 57 23.427 -17.104 -18.459 1.00 23.15 N ATOM 871 CA LEU A 57 23.192 -18.339 -17.719 1.00 22.42 C ATOM 872 C LEU A 57 24.479 -19.149 -17.586 1.00 52.54 C ATOM 873 O LEU A 57 25.229 -19.301 -18.549 1.00 60.35 O ATOM 874 CB LEU A 57 22.119 -19.178 -18.414 1.00 74.01 C ATOM 875 CG LEU A 57 22.007 -19.003 -19.929 1.00 65.41 C ATOM 876 CD1 LEU A 57 21.489 -20.277 -20.577 1.00 60.15 C ATOM 877 CD2 LEU A 57 21.104 -17.825 -20.266 1.00 20.50 C ATOM 0 H LEU A 57 24.210 -17.146 -19.112 1.00 23.15 H new ATOM 0 HA LEU A 57 22.846 -18.073 -16.720 1.00 22.42 H new ATOM 0 HB2 LEU A 57 22.315 -20.229 -18.203 1.00 74.01 H new ATOM 0 HB3 LEU A 57 21.154 -18.938 -17.968 1.00 74.01 H new ATOM 0 HG LEU A 57 23.001 -18.797 -20.325 1.00 65.41 H new ATOM 0 HD11 LEU A 57 21.416 -20.133 -21.655 1.00 60.15 H new ATOM 0 HD12 LEU A 57 22.175 -21.097 -20.366 1.00 60.15 H new ATOM 0 HD13 LEU A 57 20.504 -20.515 -20.175 1.00 60.15 H new ATOM 0 HD21 LEU A 57 21.037 -17.716 -21.348 1.00 20.50 H new ATOM 0 HD22 LEU A 57 20.109 -18.000 -19.856 1.00 20.50 H new ATOM 0 HD23 LEU A 57 21.519 -16.914 -19.835 1.00 20.50 H new ATOM 889 N ASP A 58 24.726 -19.665 -16.388 1.00 34.22 N ATOM 890 CA ASP A 58 25.919 -20.462 -16.130 1.00 0.11 C ATOM 891 C ASP A 58 25.802 -21.840 -16.772 1.00 63.43 C ATOM 892 O ASP A 58 25.118 -22.723 -16.253 1.00 41.24 O ATOM 893 CB ASP A 58 26.147 -20.605 -14.624 1.00 24.31 C ATOM 894 CG ASP A 58 24.885 -20.998 -13.882 1.00 42.33 C ATOM 895 OD1 ASP A 58 24.016 -20.123 -13.684 1.00 2.41 O ATOM 896 OD2 ASP A 58 24.765 -22.181 -13.501 1.00 22.34 O1- ATOM 0 H ASP A 58 24.116 -19.546 -15.579 1.00 34.22 H new ATOM 0 HA ASP A 58 26.772 -19.947 -16.572 1.00 0.11 H new ATOM 0 HB2 ASP A 58 26.918 -21.355 -14.446 1.00 24.31 H new ATOM 0 HB3 ASP A 58 26.521 -19.662 -14.225 1.00 24.31 H new ATOM 901 N LEU A 59 26.474 -22.018 -17.905 1.00 33.22 N ATOM 902 CA LEU A 59 26.444 -23.289 -18.620 1.00 60.20 C ATOM 903 C LEU A 59 27.781 -24.014 -18.498 1.00 1.03 C ATOM 904 O LEU A 59 28.835 -23.399 -18.334 1.00 70.11 O ATOM 905 CB LEU A 59 26.109 -23.059 -20.095 1.00 32.04 C ATOM 906 CG LEU A 59 24.944 -22.111 -20.378 1.00 60.02 C ATOM 907 CD1 LEU A 59 25.019 -21.584 -21.803 1.00 43.15 C ATOM 908 CD2 LEU A 59 23.615 -22.811 -20.137 1.00 1.32 C ATOM 0 H LEU A 59 27.046 -21.298 -18.348 1.00 33.22 H new ATOM 0 HA LEU A 59 25.671 -23.912 -18.171 1.00 60.20 H new ATOM 0 HB2 LEU A 59 26.997 -22.670 -20.592 1.00 32.04 H new ATOM 0 HB3 LEU A 59 25.886 -24.024 -20.551 1.00 32.04 H new ATOM 0 HG LEU A 59 25.016 -21.265 -19.694 1.00 60.02 H new ATOM 0 HD11 LEU A 59 24.182 -20.911 -21.986 1.00 43.15 H new ATOM 0 HD12 LEU A 59 25.956 -21.044 -21.943 1.00 43.15 H new ATOM 0 HD13 LEU A 59 24.973 -22.419 -22.502 1.00 43.15 H new ATOM 0 HD21 LEU A 59 22.797 -22.120 -20.344 1.00 1.32 H new ATOM 0 HD22 LEU A 59 23.535 -23.676 -20.795 1.00 1.32 H new ATOM 0 HD23 LEU A 59 23.559 -23.139 -19.099 1.00 1.32 H new ATOM 920 N PRO A 60 27.739 -25.352 -18.580 1.00 53.42 N ATOM 921 CA PRO A 60 28.938 -26.189 -18.484 1.00 72.32 C ATOM 922 C PRO A 60 29.845 -26.045 -19.701 1.00 43.23 C ATOM 923 O PRO A 60 29.379 -25.750 -20.802 1.00 43.11 O ATOM 924 CB PRO A 60 28.373 -27.610 -18.403 1.00 45.22 C ATOM 925 CG PRO A 60 27.044 -27.527 -19.071 1.00 34.34 C ATOM 926 CD PRO A 60 26.517 -26.150 -18.775 1.00 31.23 C ATOM 0 HA PRO A 60 29.560 -25.913 -17.632 1.00 72.32 H new ATOM 0 HB2 PRO A 60 29.025 -28.325 -18.906 1.00 45.22 H new ATOM 0 HB3 PRO A 60 28.276 -27.939 -17.368 1.00 45.22 H new ATOM 0 HG2 PRO A 60 27.137 -27.687 -20.145 1.00 34.34 H new ATOM 0 HG3 PRO A 60 26.368 -28.293 -18.692 1.00 34.34 H new ATOM 0 HD2 PRO A 60 25.913 -25.766 -19.597 1.00 31.23 H new ATOM 0 HD3 PRO A 60 25.887 -26.143 -17.886 1.00 31.23 H new ATOM 934 N GLU A 61 31.142 -26.254 -19.496 1.00 34.34 N ATOM 935 CA GLU A 61 32.113 -26.147 -20.578 1.00 51.40 C ATOM 936 C GLU A 61 31.844 -27.192 -21.657 1.00 71.00 C ATOM 937 O GLU A 61 31.887 -28.394 -21.396 1.00 52.22 O ATOM 938 CB GLU A 61 33.535 -26.312 -20.036 1.00 14.52 C ATOM 939 CG GLU A 61 34.592 -26.415 -21.122 1.00 12.24 C ATOM 940 CD GLU A 61 35.122 -27.826 -21.288 1.00 4.13 C ATOM 941 OE1 GLU A 61 35.324 -28.508 -20.260 1.00 62.21 O ATOM 942 OE2 GLU A 61 35.336 -28.248 -22.443 1.00 14.15 O1- ATOM 0 H GLU A 61 31.544 -26.498 -18.591 1.00 34.34 H new ATOM 0 HA GLU A 61 32.014 -25.157 -21.023 1.00 51.40 H new ATOM 0 HB2 GLU A 61 33.770 -25.465 -19.392 1.00 14.52 H new ATOM 0 HB3 GLU A 61 33.576 -27.206 -19.414 1.00 14.52 H new ATOM 0 HG2 GLU A 61 34.170 -26.076 -22.068 1.00 12.24 H new ATOM 0 HG3 GLU A 61 35.419 -25.746 -20.884 1.00 12.24 H new ATOM 949 N GLY A 62 31.566 -26.724 -22.869 1.00 75.14 N ATOM 950 CA GLY A 62 31.293 -27.631 -23.970 1.00 3.44 C ATOM 951 C GLY A 62 30.562 -26.953 -25.112 1.00 3.40 C ATOM 952 O GLY A 62 30.891 -25.826 -25.486 1.00 30.13 O ATOM 0 H GLY A 62 31.525 -25.734 -23.109 1.00 75.14 H new ATOM 0 HA2 GLY A 62 32.232 -28.044 -24.338 1.00 3.44 H new ATOM 0 HA3 GLY A 62 30.697 -28.469 -23.608 1.00 3.44 H new ATOM 956 N GLU A 63 29.570 -27.640 -25.669 1.00 44.04 N ATOM 957 CA GLU A 63 28.794 -27.096 -26.778 1.00 31.31 C ATOM 958 C GLU A 63 27.304 -27.353 -26.575 1.00 34.40 C ATOM 959 O GLU A 63 26.933 -28.447 -26.152 1.00 55.14 O ATOM 960 CB GLU A 63 29.253 -27.712 -28.101 1.00 71.45 C ATOM 961 CG GLU A 63 28.433 -27.262 -29.299 1.00 41.01 C ATOM 962 CD GLU A 63 28.750 -28.054 -30.552 1.00 64.35 C ATOM 963 OE1 GLU A 63 28.616 -29.295 -30.520 1.00 13.32 O ATOM 964 OE2 GLU A 63 29.132 -27.432 -31.566 1.00 63.41 O1- ATOM 0 H GLU A 63 29.285 -28.573 -25.371 1.00 44.04 H new ATOM 0 HA GLU A 63 28.959 -26.019 -26.811 1.00 31.31 H new ATOM 0 HB2 GLU A 63 30.298 -27.453 -28.269 1.00 71.45 H new ATOM 0 HB3 GLU A 63 29.202 -28.798 -28.024 1.00 71.45 H new ATOM 0 HG2 GLU A 63 27.373 -27.364 -29.068 1.00 41.01 H new ATOM 0 HG3 GLU A 63 28.619 -26.204 -29.485 1.00 41.01 H new ATOM 971 N HIS A 64 26.492 -26.351 -26.877 1.00 11.42 N ATOM 972 CA HIS A 64 25.053 -26.480 -26.723 1.00 43.11 C ATOM 973 C HIS A 64 24.346 -25.709 -27.840 1.00 20.11 C ATOM 974 O HIS A 64 24.940 -24.897 -28.548 1.00 22.41 O ATOM 975 CB HIS A 64 24.614 -26.036 -25.327 1.00 0.52 C ATOM 976 CG HIS A 64 25.756 -25.822 -24.362 1.00 30.40 C ATOM 977 ND1 HIS A 64 26.661 -24.806 -24.262 1.00 23.24 N flip ATOM 978 CD2 HIS A 64 26.065 -26.720 -23.356 1.00 51.01 C flip ATOM 979 CE1 HIS A 64 27.477 -25.068 -23.249 1.00 5.41 C flip ATOM 980 NE2 HIS A 64 27.109 -26.255 -22.686 1.00 33.03 N flip ATOM 0 H HIS A 64 26.804 -25.445 -27.228 1.00 11.42 H new ATOM 0 HA HIS A 64 24.767 -27.528 -26.814 1.00 43.11 H new ATOM 0 HB2 HIS A 64 24.047 -25.109 -25.414 1.00 0.52 H new ATOM 0 HB3 HIS A 64 23.939 -26.786 -24.914 1.00 0.52 H new ATOM 0 HD2 HIS A 64 25.544 -27.643 -23.152 1.00 51.01 H new ATOM 0 HE1 HIS A 64 28.297 -24.445 -22.924 1.00 5.41 H new ATOM 0 HE2 HIS A 64 27.559 -26.705 -21.889 1.00 33.03 H new ATOM 988 N GLN A 65 23.054 -25.986 -27.982 1.00 1.42 N ATOM 989 CA GLN A 65 22.242 -25.334 -29.003 1.00 75.43 C ATOM 990 C GLN A 65 21.039 -24.635 -28.377 1.00 40.13 C ATOM 991 O GLN A 65 20.261 -25.249 -27.647 1.00 52.02 O ATOM 992 CB GLN A 65 21.770 -26.357 -30.038 1.00 73.02 C ATOM 993 CG GLN A 65 22.710 -26.500 -31.224 1.00 71.31 C ATOM 994 CD GLN A 65 22.953 -27.948 -31.604 1.00 43.32 C ATOM 995 OE1 GLN A 65 22.243 -28.511 -32.439 1.00 5.51 O ATOM 996 NE2 GLN A 65 23.961 -28.559 -30.993 1.00 53.03 N ATOM 0 H GLN A 65 22.547 -26.657 -27.404 1.00 1.42 H new ATOM 0 HA GLN A 65 22.858 -24.584 -29.498 1.00 75.43 H new ATOM 0 HB2 GLN A 65 21.659 -27.327 -29.554 1.00 73.02 H new ATOM 0 HB3 GLN A 65 20.783 -26.067 -30.400 1.00 73.02 H new ATOM 0 HG2 GLN A 65 22.293 -25.969 -32.080 1.00 71.31 H new ATOM 0 HG3 GLN A 65 23.662 -26.026 -30.987 1.00 71.31 H new ATOM 0 HE21 GLN A 65 24.523 -28.054 -30.308 1.00 53.03 H new ATOM 0 HE22 GLN A 65 24.173 -29.533 -31.209 1.00 53.03 H new ATOM 1005 N TYR A 66 20.894 -23.347 -28.668 1.00 4.15 N ATOM 1006 CA TYR A 66 19.788 -22.562 -28.131 1.00 72.34 C ATOM 1007 C TYR A 66 18.962 -21.946 -29.255 1.00 74.34 C ATOM 1008 O TYR A 66 19.322 -22.037 -30.430 1.00 1.32 O ATOM 1009 CB TYR A 66 20.316 -21.462 -27.209 1.00 10.24 C ATOM 1010 CG TYR A 66 21.140 -20.415 -27.925 1.00 32.44 C ATOM 1011 CD1 TYR A 66 22.488 -20.626 -28.190 1.00 2.13 C ATOM 1012 CD2 TYR A 66 20.572 -19.217 -28.335 1.00 40.20 C ATOM 1013 CE1 TYR A 66 23.245 -19.673 -28.842 1.00 71.43 C ATOM 1014 CE2 TYR A 66 21.321 -18.258 -28.990 1.00 2.40 C ATOM 1015 CZ TYR A 66 22.657 -18.491 -29.241 1.00 22.23 C ATOM 1016 OH TYR A 66 23.407 -17.538 -29.892 1.00 12.33 O ATOM 0 H TYR A 66 21.528 -22.824 -29.272 1.00 4.15 H new ATOM 0 HA TYR A 66 19.146 -23.230 -27.557 1.00 72.34 H new ATOM 0 HB2 TYR A 66 19.473 -20.976 -26.718 1.00 10.24 H new ATOM 0 HB3 TYR A 66 20.923 -21.916 -26.426 1.00 10.24 H new ATOM 0 HD1 TYR A 66 22.951 -21.551 -27.881 1.00 2.13 H new ATOM 0 HD2 TYR A 66 19.526 -19.031 -28.139 1.00 40.20 H new ATOM 0 HE1 TYR A 66 24.292 -19.852 -29.038 1.00 71.43 H new ATOM 0 HE2 TYR A 66 20.863 -17.332 -29.303 1.00 2.40 H new ATOM 0 HH TYR A 66 22.864 -17.115 -30.590 1.00 12.33 H new ATOM 1026 N LYS A 67 17.851 -21.318 -28.888 1.00 53.20 N ATOM 1027 CA LYS A 67 16.971 -20.683 -29.863 1.00 62.12 C ATOM 1028 C LYS A 67 16.304 -19.446 -29.270 1.00 21.43 C ATOM 1029 O LYS A 67 15.976 -19.414 -28.083 1.00 63.05 O ATOM 1030 CB LYS A 67 15.905 -21.673 -30.338 1.00 52.15 C ATOM 1031 CG LYS A 67 15.046 -21.143 -31.474 1.00 4.31 C ATOM 1032 CD LYS A 67 15.794 -21.166 -32.796 1.00 75.43 C ATOM 1033 CE LYS A 67 14.941 -20.615 -33.928 1.00 71.15 C ATOM 1034 NZ LYS A 67 13.856 -21.558 -34.316 1.00 33.33 N1+ ATOM 0 H LYS A 67 17.537 -21.235 -27.921 1.00 53.20 H new ATOM 0 HA LYS A 67 17.576 -20.374 -30.715 1.00 62.12 H new ATOM 0 HB2 LYS A 67 16.393 -22.592 -30.661 1.00 52.15 H new ATOM 0 HB3 LYS A 67 15.261 -21.932 -29.497 1.00 52.15 H new ATOM 0 HG2 LYS A 67 14.140 -21.743 -31.557 1.00 4.31 H new ATOM 0 HG3 LYS A 67 14.733 -20.123 -31.250 1.00 4.31 H new ATOM 0 HD2 LYS A 67 16.708 -20.579 -32.708 1.00 75.43 H new ATOM 0 HD3 LYS A 67 16.093 -22.188 -33.028 1.00 75.43 H new ATOM 0 HE2 LYS A 67 14.504 -19.664 -33.623 1.00 71.15 H new ATOM 0 HE3 LYS A 67 15.573 -20.413 -34.793 1.00 71.15 H new ATOM 0 HZ1 LYS A 67 13.171 -21.067 -34.926 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 14.264 -22.363 -34.832 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 13.374 -21.903 -33.462 1.00 33.33 H new ATOM 1048 N PHE A 68 16.104 -18.431 -30.104 1.00 0.13 N ATOM 1049 CA PHE A 68 15.475 -17.191 -29.662 1.00 34.41 C ATOM 1050 C PHE A 68 13.963 -17.248 -29.860 1.00 74.51 C ATOM 1051 O PHE A 68 13.469 -17.904 -30.778 1.00 43.04 O ATOM 1052 CB PHE A 68 16.056 -15.999 -30.424 1.00 21.54 C ATOM 1053 CG PHE A 68 17.427 -15.599 -29.957 1.00 34.32 C ATOM 1054 CD1 PHE A 68 17.707 -15.489 -28.605 1.00 45.22 C ATOM 1055 CD2 PHE A 68 18.433 -15.333 -30.871 1.00 24.44 C ATOM 1056 CE1 PHE A 68 18.967 -15.122 -28.172 1.00 21.32 C ATOM 1057 CE2 PHE A 68 19.695 -14.966 -30.444 1.00 64.40 C ATOM 1058 CZ PHE A 68 19.963 -14.859 -29.092 1.00 60.24 C ATOM 0 H PHE A 68 16.368 -18.442 -31.089 1.00 0.13 H new ATOM 0 HA PHE A 68 15.680 -17.068 -28.599 1.00 34.41 H new ATOM 0 HB2 PHE A 68 16.099 -16.243 -31.486 1.00 21.54 H new ATOM 0 HB3 PHE A 68 15.383 -15.148 -30.320 1.00 21.54 H new ATOM 0 HD1 PHE A 68 16.932 -15.692 -27.881 1.00 45.22 H new ATOM 0 HD2 PHE A 68 18.229 -15.413 -31.929 1.00 24.44 H new ATOM 0 HE1 PHE A 68 19.173 -15.041 -27.115 1.00 21.32 H new ATOM 0 HE2 PHE A 68 20.472 -14.763 -31.166 1.00 64.40 H new ATOM 0 HZ PHE A 68 20.948 -14.571 -28.756 1.00 60.24 H new ATOM 1068 N PHE A 69 13.231 -16.557 -28.991 1.00 64.40 N ATOM 1069 CA PHE A 69 11.775 -16.530 -29.069 1.00 63.41 C ATOM 1070 C PHE A 69 11.250 -15.106 -28.913 1.00 34.32 C ATOM 1071 O PHE A 69 11.061 -14.620 -27.797 1.00 62.44 O ATOM 1072 CB PHE A 69 11.169 -17.431 -27.991 1.00 5.13 C ATOM 1073 CG PHE A 69 9.668 -17.476 -28.023 1.00 23.30 C ATOM 1074 CD1 PHE A 69 9.006 -18.355 -28.866 1.00 42.11 C ATOM 1075 CD2 PHE A 69 8.919 -16.642 -27.210 1.00 14.24 C ATOM 1076 CE1 PHE A 69 7.626 -18.398 -28.898 1.00 52.12 C ATOM 1077 CE2 PHE A 69 7.538 -16.681 -27.237 1.00 13.20 C ATOM 1078 CZ PHE A 69 6.890 -17.561 -28.082 1.00 3.22 C ATOM 0 H PHE A 69 13.623 -16.009 -28.225 1.00 64.40 H new ATOM 0 HA PHE A 69 11.480 -16.902 -30.050 1.00 63.41 H new ATOM 0 HB2 PHE A 69 11.558 -18.442 -28.113 1.00 5.13 H new ATOM 0 HB3 PHE A 69 11.493 -17.081 -27.011 1.00 5.13 H new ATOM 0 HD1 PHE A 69 9.576 -19.014 -29.505 1.00 42.11 H new ATOM 0 HD2 PHE A 69 9.420 -15.953 -26.547 1.00 14.24 H new ATOM 0 HE1 PHE A 69 7.122 -19.086 -29.561 1.00 52.12 H new ATOM 0 HE2 PHE A 69 6.966 -16.024 -26.598 1.00 13.20 H new ATOM 0 HZ PHE A 69 5.811 -17.594 -28.105 1.00 3.22 H new ATOM 1088 N VAL A 70 11.014 -14.442 -30.040 1.00 51.23 N ATOM 1089 CA VAL A 70 10.510 -13.074 -30.030 1.00 53.12 C ATOM 1090 C VAL A 70 9.207 -12.964 -30.814 1.00 13.23 C ATOM 1091 O VAL A 70 8.965 -13.727 -31.749 1.00 23.10 O ATOM 1092 CB VAL A 70 11.538 -12.093 -30.624 1.00 52.31 C ATOM 1093 CG1 VAL A 70 11.094 -10.655 -30.400 1.00 23.12 C ATOM 1094 CG2 VAL A 70 12.914 -12.336 -30.024 1.00 41.35 C ATOM 0 H VAL A 70 11.164 -14.829 -30.972 1.00 51.23 H new ATOM 0 HA VAL A 70 10.328 -12.811 -28.988 1.00 53.12 H new ATOM 0 HB VAL A 70 11.601 -12.265 -31.699 1.00 52.31 H new ATOM 0 HG11 VAL A 70 11.832 -9.976 -30.826 1.00 23.12 H new ATOM 0 HG12 VAL A 70 10.130 -10.492 -30.882 1.00 23.12 H new ATOM 0 HG13 VAL A 70 11.001 -10.465 -29.331 1.00 23.12 H new ATOM 0 HG21 VAL A 70 13.628 -11.634 -30.455 1.00 41.35 H new ATOM 0 HG22 VAL A 70 12.871 -12.193 -28.944 1.00 41.35 H new ATOM 0 HG23 VAL A 70 13.231 -13.356 -30.242 1.00 41.35 H new ATOM 1104 N ASP A 71 8.368 -12.009 -30.426 1.00 3.15 N ATOM 1105 CA ASP A 71 7.089 -11.797 -31.091 1.00 54.03 C ATOM 1106 C ASP A 71 6.209 -13.038 -30.987 1.00 20.14 C ATOM 1107 O ASP A 71 5.452 -13.354 -31.903 1.00 62.44 O ATOM 1108 CB ASP A 71 7.309 -11.435 -32.561 1.00 64.34 C ATOM 1109 CG ASP A 71 6.132 -10.688 -33.157 1.00 14.24 C ATOM 1110 OD1 ASP A 71 5.115 -10.524 -32.450 1.00 51.33 O1- ATOM 1111 OD2 ASP A 71 6.227 -10.267 -34.328 1.00 63.53 O ATOM 0 H ASP A 71 8.552 -11.369 -29.653 1.00 3.15 H new ATOM 0 HA ASP A 71 6.581 -10.971 -30.593 1.00 54.03 H new ATOM 0 HB2 ASP A 71 8.207 -10.823 -32.651 1.00 64.34 H new ATOM 0 HB3 ASP A 71 7.485 -12.346 -33.134 1.00 64.34 H new ATOM 1116 N GLY A 72 6.315 -13.740 -29.862 1.00 2.30 N ATOM 1117 CA GLY A 72 5.525 -14.939 -29.658 1.00 30.24 C ATOM 1118 C GLY A 72 5.844 -16.022 -30.669 1.00 72.25 C ATOM 1119 O GLY A 72 4.964 -16.786 -31.067 1.00 21.11 O ATOM 0 H GLY A 72 6.935 -13.499 -29.088 1.00 2.30 H new ATOM 0 HA2 GLY A 72 5.703 -15.321 -28.653 1.00 30.24 H new ATOM 0 HA3 GLY A 72 4.466 -14.688 -29.721 1.00 30.24 H new ATOM 1123 N GLN A 73 7.103 -16.088 -31.086 1.00 45.23 N ATOM 1124 CA GLN A 73 7.535 -17.084 -32.059 1.00 20.11 C ATOM 1125 C GLN A 73 9.037 -17.329 -31.958 1.00 25.04 C ATOM 1126 O GLN A 73 9.791 -16.455 -31.531 1.00 32.35 O ATOM 1127 CB GLN A 73 7.174 -16.634 -33.476 1.00 33.33 C ATOM 1128 CG GLN A 73 7.918 -15.388 -33.926 1.00 51.12 C ATOM 1129 CD GLN A 73 7.769 -15.124 -35.412 1.00 31.44 C ATOM 1130 OE1 GLN A 73 7.628 -16.053 -36.208 1.00 52.31 O ATOM 1131 NE2 GLN A 73 7.798 -13.852 -35.794 1.00 32.52 N ATOM 0 H GLN A 73 7.843 -15.463 -30.765 1.00 45.23 H new ATOM 0 HA GLN A 73 7.018 -18.018 -31.839 1.00 20.11 H new ATOM 0 HB2 GLN A 73 7.387 -17.446 -34.172 1.00 33.33 H new ATOM 0 HB3 GLN A 73 6.102 -16.445 -33.526 1.00 33.33 H new ATOM 0 HG2 GLN A 73 7.548 -14.527 -33.369 1.00 51.12 H new ATOM 0 HG3 GLN A 73 8.976 -15.494 -33.684 1.00 51.12 H new ATOM 0 HE21 GLN A 73 7.917 -13.114 -35.100 1.00 32.52 H new ATOM 0 HE22 GLN A 73 7.701 -13.614 -36.781 1.00 32.52 H new ATOM 1140 N TRP A 74 9.464 -18.523 -32.354 1.00 23.22 N ATOM 1141 CA TRP A 74 10.877 -18.883 -32.307 1.00 12.20 C ATOM 1142 C TRP A 74 11.612 -18.363 -33.537 1.00 60.11 C ATOM 1143 O TRP A 74 11.346 -18.793 -34.659 1.00 24.22 O ATOM 1144 CB TRP A 74 11.035 -20.401 -32.207 1.00 50.12 C ATOM 1145 CG TRP A 74 10.567 -20.962 -30.898 1.00 43.22 C ATOM 1146 CD1 TRP A 74 9.365 -21.557 -30.644 1.00 54.41 C ATOM 1147 CD2 TRP A 74 11.294 -20.978 -29.664 1.00 32.22 C ATOM 1148 NE1 TRP A 74 9.299 -21.942 -29.327 1.00 41.32 N ATOM 1149 CE2 TRP A 74 10.471 -21.600 -28.705 1.00 15.44 C ATOM 1150 CE3 TRP A 74 12.560 -20.531 -29.277 1.00 73.11 C ATOM 1151 CZ2 TRP A 74 10.874 -21.781 -27.384 1.00 32.40 C ATOM 1152 CZ3 TRP A 74 12.959 -20.713 -27.967 1.00 32.22 C ATOM 1153 CH2 TRP A 74 12.119 -21.335 -27.033 1.00 52.42 C ATOM 0 H TRP A 74 8.853 -19.258 -32.711 1.00 23.22 H new ATOM 0 HA TRP A 74 11.315 -18.420 -31.422 1.00 12.20 H new ATOM 0 HB2 TRP A 74 10.476 -20.871 -33.016 1.00 50.12 H new ATOM 0 HB3 TRP A 74 12.084 -20.660 -32.351 1.00 50.12 H new ATOM 0 HD1 TRP A 74 8.581 -21.704 -31.372 1.00 54.41 H new ATOM 0 HE1 TRP A 74 8.506 -22.407 -28.884 1.00 41.32 H new ATOM 0 HE3 TRP A 74 13.215 -20.052 -29.989 1.00 73.11 H new ATOM 0 HZ2 TRP A 74 10.227 -22.257 -26.662 1.00 32.40 H new ATOM 0 HZ3 TRP A 74 13.935 -20.370 -27.657 1.00 32.22 H new ATOM 0 HH2 TRP A 74 12.461 -21.465 -26.017 1.00 52.42 H new ATOM 1164 N VAL A 75 12.538 -17.434 -33.319 1.00 42.22 N ATOM 1165 CA VAL A 75 13.313 -16.856 -34.411 1.00 53.15 C ATOM 1166 C VAL A 75 14.808 -17.059 -34.191 1.00 42.43 C ATOM 1167 O VAL A 75 15.232 -17.551 -33.145 1.00 15.11 O ATOM 1168 CB VAL A 75 13.027 -15.351 -34.568 1.00 14.03 C ATOM 1169 CG1 VAL A 75 11.542 -15.111 -34.800 1.00 25.31 C ATOM 1170 CG2 VAL A 75 13.514 -14.587 -33.345 1.00 33.52 C ATOM 0 H VAL A 75 12.770 -17.066 -32.396 1.00 42.22 H new ATOM 0 HA VAL A 75 13.010 -17.372 -35.322 1.00 53.15 H new ATOM 0 HB VAL A 75 13.570 -14.984 -35.439 1.00 14.03 H new ATOM 0 HG11 VAL A 75 11.359 -14.042 -34.909 1.00 25.31 H new ATOM 0 HG12 VAL A 75 11.227 -15.627 -35.707 1.00 25.31 H new ATOM 0 HG13 VAL A 75 10.975 -15.492 -33.951 1.00 25.31 H new ATOM 0 HG21 VAL A 75 13.304 -13.525 -33.472 1.00 33.52 H new ATOM 0 HG22 VAL A 75 12.999 -14.955 -32.457 1.00 33.52 H new ATOM 0 HG23 VAL A 75 14.588 -14.733 -33.228 1.00 33.52 H new ATOM 1180 N HIS A 76 15.604 -16.674 -35.184 1.00 54.12 N ATOM 1181 CA HIS A 76 17.053 -16.811 -35.099 1.00 10.02 C ATOM 1182 C HIS A 76 17.750 -15.740 -35.931 1.00 43.22 C ATOM 1183 O HIS A 76 17.164 -15.177 -36.856 1.00 33.44 O ATOM 1184 CB HIS A 76 17.484 -18.200 -35.571 1.00 62.13 C ATOM 1185 CG HIS A 76 17.363 -18.394 -37.051 1.00 63.23 C ATOM 1186 ND1 HIS A 76 18.110 -17.911 -38.071 1.00 33.14 N flip ATOM 1187 CD2 HIS A 76 16.378 -19.164 -37.632 1.00 1.42 C flip ATOM 1188 CE1 HIS A 76 17.569 -18.394 -39.237 1.00 52.22 C flip ATOM 1189 NE2 HIS A 76 16.524 -19.148 -38.944 1.00 14.42 N flip ATOM 0 H HIS A 76 15.270 -16.265 -36.056 1.00 54.12 H new ATOM 0 HA HIS A 76 17.344 -16.683 -34.056 1.00 10.02 H new ATOM 0 HB2 HIS A 76 18.519 -18.371 -35.274 1.00 62.13 H new ATOM 0 HB3 HIS A 76 16.879 -18.951 -35.064 1.00 62.13 H new ATOM 0 HD2 HIS A 76 15.606 -19.698 -37.097 1.00 1.42 H new ATOM 0 HE1 HIS A 76 17.938 -18.191 -40.232 1.00 52.22 H new ATOM 0 HE2 HIS A 76 15.931 -19.635 -39.617 1.00 14.42 H new ATOM 1197 N ASP A 77 19.005 -15.460 -35.596 1.00 61.11 N ATOM 1198 CA ASP A 77 19.783 -14.456 -36.312 1.00 41.41 C ATOM 1199 C ASP A 77 20.686 -15.109 -37.354 1.00 24.02 C ATOM 1200 O ASP A 77 21.364 -16.102 -37.089 1.00 23.04 O ATOM 1201 CB ASP A 77 20.624 -13.637 -35.332 1.00 44.44 C ATOM 1202 CG ASP A 77 20.857 -12.218 -35.815 1.00 1.12 C ATOM 1203 OD1 ASP A 77 19.866 -11.532 -36.139 1.00 10.11 O1- ATOM 1204 OD2 ASP A 77 22.032 -11.795 -35.870 1.00 34.33 O ATOM 0 H ASP A 77 19.505 -15.915 -34.832 1.00 61.11 H new ATOM 0 HA ASP A 77 19.088 -13.792 -36.825 1.00 41.41 H new ATOM 0 HB2 ASP A 77 20.125 -13.611 -34.363 1.00 44.44 H new ATOM 0 HB3 ASP A 77 21.585 -14.129 -35.183 1.00 44.44 H new ATOM 1209 N PRO A 78 20.696 -14.542 -38.569 1.00 15.43 N ATOM 1210 CA PRO A 78 21.510 -15.053 -39.676 1.00 4.43 C ATOM 1211 C PRO A 78 23.001 -14.825 -39.450 1.00 61.31 C ATOM 1212 O PRO A 78 23.837 -15.561 -39.974 1.00 23.50 O ATOM 1213 CB PRO A 78 21.022 -14.242 -40.879 1.00 61.03 C ATOM 1214 CG PRO A 78 20.486 -12.981 -40.294 1.00 70.11 C ATOM 1215 CD PRO A 78 19.912 -13.356 -38.957 1.00 31.15 C ATOM 0 HA PRO A 78 21.401 -16.131 -39.799 1.00 4.43 H new ATOM 0 HB2 PRO A 78 21.835 -14.040 -41.577 1.00 61.03 H new ATOM 0 HB3 PRO A 78 20.253 -14.780 -41.433 1.00 61.03 H new ATOM 0 HG2 PRO A 78 21.274 -12.236 -40.185 1.00 70.11 H new ATOM 0 HG3 PRO A 78 19.722 -12.546 -40.938 1.00 70.11 H new ATOM 0 HD2 PRO A 78 20.020 -12.549 -38.233 1.00 31.15 H new ATOM 0 HD3 PRO A 78 18.848 -13.583 -39.026 1.00 31.15 H new ATOM 1223 N SER A 79 23.328 -13.802 -38.667 1.00 34.01 N ATOM 1224 CA SER A 79 24.719 -13.477 -38.375 1.00 21.01 C ATOM 1225 C SER A 79 25.312 -14.469 -37.379 1.00 1.21 C ATOM 1226 O SER A 79 26.515 -14.726 -37.384 1.00 44.53 O ATOM 1227 CB SER A 79 24.827 -12.054 -37.821 1.00 32.35 C ATOM 1228 OG SER A 79 24.986 -11.111 -38.865 1.00 23.51 O ATOM 0 H SER A 79 22.648 -13.184 -38.223 1.00 34.01 H new ATOM 0 HA SER A 79 25.284 -13.541 -39.305 1.00 21.01 H new ATOM 0 HB2 SER A 79 23.933 -11.816 -37.245 1.00 32.35 H new ATOM 0 HB3 SER A 79 25.673 -11.990 -37.137 1.00 32.35 H new ATOM 0 HG SER A 79 25.051 -10.210 -38.485 1.00 23.51 H new ATOM 1234 N GLU A 80 24.456 -15.025 -36.526 1.00 41.40 N ATOM 1235 CA GLU A 80 24.896 -15.988 -35.523 1.00 72.34 C ATOM 1236 C GLU A 80 25.040 -17.379 -36.133 1.00 21.05 C ATOM 1237 O GLU A 80 24.485 -17.683 -37.189 1.00 74.53 O ATOM 1238 CB GLU A 80 23.906 -16.031 -34.357 1.00 2.30 C ATOM 1239 CG GLU A 80 24.273 -15.100 -33.214 1.00 10.13 C ATOM 1240 CD GLU A 80 23.248 -15.117 -32.096 1.00 3.42 C ATOM 1241 OE1 GLU A 80 22.295 -15.918 -32.179 1.00 15.10 O ATOM 1242 OE2 GLU A 80 23.400 -14.328 -31.139 1.00 21.22 O1- ATOM 0 H GLU A 80 23.456 -14.825 -36.510 1.00 41.40 H new ATOM 0 HA GLU A 80 25.870 -15.669 -35.152 1.00 72.34 H new ATOM 0 HB2 GLU A 80 22.914 -15.769 -34.724 1.00 2.30 H new ATOM 0 HB3 GLU A 80 23.847 -17.052 -33.979 1.00 2.30 H new ATOM 0 HG2 GLU A 80 25.246 -15.387 -32.815 1.00 10.13 H new ATOM 0 HG3 GLU A 80 24.372 -14.084 -33.596 1.00 10.13 H new ATOM 1249 N PRO A 81 25.805 -18.246 -35.453 1.00 13.13 N ATOM 1250 CA PRO A 81 26.041 -19.619 -35.908 1.00 34.44 C ATOM 1251 C PRO A 81 24.792 -20.489 -35.802 1.00 52.34 C ATOM 1252 O PRO A 81 24.622 -21.234 -34.838 1.00 32.21 O ATOM 1253 CB PRO A 81 27.127 -20.127 -34.955 1.00 71.33 C ATOM 1254 CG PRO A 81 26.965 -19.304 -33.723 1.00 70.53 C ATOM 1255 CD PRO A 81 26.498 -17.952 -34.187 1.00 61.31 C ATOM 0 HA PRO A 81 26.325 -19.656 -36.960 1.00 34.44 H new ATOM 0 HB2 PRO A 81 27.001 -21.188 -34.741 1.00 71.33 H new ATOM 0 HB3 PRO A 81 28.121 -20.004 -35.386 1.00 71.33 H new ATOM 0 HG2 PRO A 81 26.241 -19.755 -33.045 1.00 70.53 H new ATOM 0 HG3 PRO A 81 27.906 -19.226 -33.179 1.00 70.53 H new ATOM 0 HD2 PRO A 81 25.830 -17.487 -33.462 1.00 61.31 H new ATOM 0 HD3 PRO A 81 27.333 -17.268 -34.336 1.00 61.31 H new ATOM 1263 N VAL A 82 23.921 -20.387 -36.800 1.00 53.33 N ATOM 1264 CA VAL A 82 22.687 -21.164 -36.820 1.00 75.02 C ATOM 1265 C VAL A 82 22.863 -22.452 -37.616 1.00 72.11 C ATOM 1266 O VAL A 82 23.776 -22.570 -38.434 1.00 30.20 O ATOM 1267 CB VAL A 82 21.524 -20.355 -37.424 1.00 12.11 C ATOM 1268 CG1 VAL A 82 21.216 -19.140 -36.564 1.00 54.42 C ATOM 1269 CG2 VAL A 82 21.848 -19.941 -38.851 1.00 55.33 C ATOM 0 H VAL A 82 24.047 -19.774 -37.606 1.00 53.33 H new ATOM 0 HA VAL A 82 22.450 -21.409 -35.785 1.00 75.02 H new ATOM 0 HB VAL A 82 20.637 -20.988 -37.447 1.00 12.11 H new ATOM 0 HG11 VAL A 82 20.392 -18.581 -37.006 1.00 54.42 H new ATOM 0 HG12 VAL A 82 20.937 -19.465 -35.562 1.00 54.42 H new ATOM 0 HG13 VAL A 82 22.098 -18.502 -36.506 1.00 54.42 H new ATOM 0 HG21 VAL A 82 21.015 -19.370 -39.262 1.00 55.33 H new ATOM 0 HG22 VAL A 82 22.747 -19.325 -38.856 1.00 55.33 H new ATOM 0 HG23 VAL A 82 22.014 -20.830 -39.459 1.00 55.33 H new ATOM 1279 N VAL A 83 21.981 -23.418 -37.372 1.00 45.51 N ATOM 1280 CA VAL A 83 22.037 -24.697 -38.068 1.00 23.24 C ATOM 1281 C VAL A 83 20.668 -25.365 -38.100 1.00 60.32 C ATOM 1282 O VAL A 83 19.904 -25.290 -37.137 1.00 51.55 O ATOM 1283 CB VAL A 83 23.047 -25.654 -37.403 1.00 54.51 C ATOM 1284 CG1 VAL A 83 22.590 -26.021 -36.000 1.00 32.22 C ATOM 1285 CG2 VAL A 83 23.239 -26.900 -38.254 1.00 63.11 C ATOM 0 H VAL A 83 21.220 -23.338 -36.698 1.00 45.51 H new ATOM 0 HA VAL A 83 22.361 -24.489 -39.088 1.00 23.24 H new ATOM 0 HB VAL A 83 24.007 -25.144 -37.324 1.00 54.51 H new ATOM 0 HG11 VAL A 83 23.315 -26.697 -35.546 1.00 32.22 H new ATOM 0 HG12 VAL A 83 22.509 -25.117 -35.396 1.00 32.22 H new ATOM 0 HG13 VAL A 83 21.618 -26.512 -36.051 1.00 32.22 H new ATOM 0 HG21 VAL A 83 23.955 -27.564 -37.770 1.00 63.11 H new ATOM 0 HG22 VAL A 83 22.285 -27.415 -38.366 1.00 63.11 H new ATOM 0 HG23 VAL A 83 23.615 -26.615 -39.237 1.00 63.11 H new ATOM 1377 N ILE A 90 15.507 -24.430 -37.639 1.00 10.10 N ATOM 1378 CA ILE A 90 16.781 -23.747 -37.453 1.00 62.35 C ATOM 1379 C ILE A 90 16.993 -23.362 -35.993 1.00 75.12 C ATOM 1380 O ILE A 90 16.049 -22.995 -35.295 1.00 35.51 O ATOM 1381 CB ILE A 90 16.873 -22.481 -38.325 1.00 41.43 C ATOM 1382 CG1 ILE A 90 16.541 -22.812 -39.782 1.00 0.30 C ATOM 1383 CG2 ILE A 90 18.261 -21.864 -38.220 1.00 75.22 C ATOM 1384 CD1 ILE A 90 17.548 -23.730 -40.437 1.00 52.12 C ATOM 0 HA ILE A 90 17.560 -24.446 -37.757 1.00 62.35 H new ATOM 0 HB ILE A 90 16.145 -21.755 -37.962 1.00 41.43 H new ATOM 0 HG12 ILE A 90 15.556 -23.277 -39.825 1.00 0.30 H new ATOM 0 HG13 ILE A 90 16.482 -21.885 -40.352 1.00 0.30 H new ATOM 0 HG21 ILE A 90 18.310 -20.970 -38.842 1.00 75.22 H new ATOM 0 HG22 ILE A 90 18.462 -21.596 -37.183 1.00 75.22 H new ATOM 0 HG23 ILE A 90 19.006 -22.584 -38.560 1.00 75.22 H new ATOM 0 HD11 ILE A 90 17.249 -23.922 -41.468 1.00 52.12 H new ATOM 0 HD12 ILE A 90 18.531 -23.259 -40.426 1.00 52.12 H new ATOM 0 HD13 ILE A 90 17.591 -24.672 -39.891 1.00 52.12 H new ATOM 1396 N ASN A 91 18.239 -23.447 -35.538 1.00 74.31 N ATOM 1397 CA ASN A 91 18.574 -23.107 -34.161 1.00 40.23 C ATOM 1398 C ASN A 91 20.003 -22.581 -34.063 1.00 12.32 C ATOM 1399 O ASN A 91 20.834 -22.848 -34.929 1.00 61.32 O ATOM 1400 CB ASN A 91 18.406 -24.328 -33.256 1.00 75.11 C ATOM 1401 CG ASN A 91 18.928 -25.600 -33.897 1.00 53.20 C ATOM 1402 OD1 ASN A 91 18.351 -26.106 -34.859 1.00 42.42 O ATOM 1403 ND2 ASN A 91 20.027 -26.122 -33.364 1.00 13.21 N ATOM 0 H ASN A 91 19.033 -23.748 -36.103 1.00 74.31 H new ATOM 0 HA ASN A 91 17.893 -22.323 -33.831 1.00 40.23 H new ATOM 0 HB2 ASN A 91 18.932 -24.156 -32.317 1.00 75.11 H new ATOM 0 HB3 ASN A 91 17.351 -24.454 -33.012 1.00 75.11 H new ATOM 0 HD21 ASN A 91 20.426 -26.977 -33.752 1.00 13.21 H new ATOM 0 HD22 ASN A 91 20.472 -25.668 -32.566 1.00 13.21 H new ATOM 1410 N ASN A 92 20.280 -21.832 -33.001 1.00 4.32 N ATOM 1411 CA ASN A 92 21.609 -21.269 -32.789 1.00 54.51 C ATOM 1412 C ASN A 92 22.556 -22.312 -32.206 1.00 33.33 C ATOM 1413 O ASN A 92 22.128 -23.383 -31.773 1.00 14.13 O ATOM 1414 CB ASN A 92 21.530 -20.057 -31.857 1.00 61.45 C ATOM 1415 CG ASN A 92 20.772 -18.899 -32.477 1.00 60.54 C ATOM 1416 OD1 ASN A 92 21.346 -18.305 -33.517 1.00 53.33 O flip ATOM 1417 ND2 ASN A 92 19.683 -18.544 -32.026 1.00 23.44 N flip ATOM 0 H ASN A 92 19.603 -21.601 -32.274 1.00 4.32 H new ATOM 0 HA ASN A 92 21.999 -20.951 -33.756 1.00 54.51 H new ATOM 0 HB2 ASN A 92 21.044 -20.349 -30.926 1.00 61.45 H new ATOM 0 HB3 ASN A 92 22.539 -19.732 -31.602 1.00 61.45 H new ATOM 0 HD21 ASN A 92 19.280 -19.030 -31.225 1.00 23.44 H new ATOM 0 HD22 ASN A 92 19.184 -17.764 -32.453 1.00 23.44 H new ATOM 1424 N LEU A 93 23.846 -21.993 -32.196 1.00 32.05 N ATOM 1425 CA LEU A 93 24.855 -22.903 -31.665 1.00 34.14 C ATOM 1426 C LEU A 93 25.868 -22.151 -30.808 1.00 2.14 C ATOM 1427 O LEU A 93 26.516 -21.214 -31.275 1.00 5.21 O ATOM 1428 CB LEU A 93 25.572 -23.625 -32.807 1.00 74.14 C ATOM 1429 CG LEU A 93 25.702 -25.142 -32.665 1.00 42.32 C ATOM 1430 CD1 LEU A 93 26.434 -25.729 -33.862 1.00 3.13 C ATOM 1431 CD2 LEU A 93 26.423 -25.495 -31.371 1.00 72.43 C ATOM 0 H LEU A 93 24.218 -21.111 -32.549 1.00 32.05 H new ATOM 0 HA LEU A 93 24.351 -23.639 -31.039 1.00 34.14 H new ATOM 0 HB2 LEU A 93 25.042 -23.411 -33.735 1.00 74.14 H new ATOM 0 HB3 LEU A 93 26.572 -23.202 -32.906 1.00 74.14 H new ATOM 0 HG LEU A 93 24.701 -25.573 -32.630 1.00 42.32 H new ATOM 0 HD11 LEU A 93 26.517 -26.809 -33.744 1.00 3.13 H new ATOM 0 HD12 LEU A 93 25.879 -25.505 -34.773 1.00 3.13 H new ATOM 0 HD13 LEU A 93 27.431 -25.293 -33.928 1.00 3.13 H new ATOM 0 HD21 LEU A 93 26.507 -26.578 -31.285 1.00 72.43 H new ATOM 0 HD22 LEU A 93 27.419 -25.053 -31.377 1.00 72.43 H new ATOM 0 HD23 LEU A 93 25.859 -25.107 -30.523 1.00 72.43 H new ATOM 1443 N ILE A 94 26.002 -22.571 -29.554 1.00 14.30 N ATOM 1444 CA ILE A 94 26.939 -21.939 -28.634 1.00 21.03 C ATOM 1445 C ILE A 94 28.035 -22.912 -28.211 1.00 2.32 C ATOM 1446 O ILE A 94 27.786 -24.105 -28.038 1.00 25.24 O ATOM 1447 CB ILE A 94 26.224 -21.410 -27.376 1.00 25.21 C ATOM 1448 CG1 ILE A 94 27.237 -20.799 -26.406 1.00 25.24 C ATOM 1449 CG2 ILE A 94 25.444 -22.529 -26.701 1.00 53.44 C ATOM 1450 CD1 ILE A 94 26.721 -19.574 -25.685 1.00 45.44 C ATOM 0 H ILE A 94 25.474 -23.346 -29.153 1.00 14.30 H new ATOM 0 HA ILE A 94 27.387 -21.100 -29.167 1.00 21.03 H new ATOM 0 HB ILE A 94 25.521 -20.632 -27.675 1.00 25.21 H new ATOM 0 HG12 ILE A 94 27.522 -21.551 -25.670 1.00 25.24 H new ATOM 0 HG13 ILE A 94 28.140 -20.533 -26.956 1.00 25.24 H new ATOM 0 HG21 ILE A 94 24.944 -22.140 -25.814 1.00 53.44 H new ATOM 0 HG22 ILE A 94 24.700 -22.923 -27.393 1.00 53.44 H new ATOM 0 HG23 ILE A 94 26.128 -23.326 -26.412 1.00 53.44 H new ATOM 0 HD11 ILE A 94 27.492 -19.195 -25.014 1.00 45.44 H new ATOM 0 HD12 ILE A 94 26.463 -18.805 -26.413 1.00 45.44 H new ATOM 0 HD13 ILE A 94 25.835 -19.838 -25.107 1.00 45.44 H new ATOM 1462 N HIS A 95 29.248 -22.393 -28.046 1.00 34.15 N ATOM 1463 CA HIS A 95 30.381 -23.216 -27.640 1.00 64.32 C ATOM 1464 C HIS A 95 31.121 -22.581 -26.466 1.00 64.02 C ATOM 1465 O HIS A 95 31.908 -21.650 -26.646 1.00 35.41 O ATOM 1466 CB HIS A 95 31.339 -23.415 -28.815 1.00 24.45 C ATOM 1467 CG HIS A 95 30.651 -23.772 -30.096 1.00 31.14 C ATOM 1468 ND1 HIS A 95 29.969 -22.852 -30.865 1.00 4.01 N ATOM 1469 CD2 HIS A 95 30.542 -24.956 -30.743 1.00 34.13 C ATOM 1470 CE1 HIS A 95 29.469 -23.456 -31.929 1.00 5.54 C ATOM 1471 NE2 HIS A 95 29.804 -24.732 -31.879 1.00 74.23 N ATOM 0 H HIS A 95 29.471 -21.408 -28.187 1.00 34.15 H new ATOM 0 HA HIS A 95 29.999 -24.187 -27.323 1.00 64.32 H new ATOM 0 HB2 HIS A 95 31.913 -22.501 -28.963 1.00 24.45 H new ATOM 0 HB3 HIS A 95 32.051 -24.201 -28.563 1.00 24.45 H new ATOM 0 HD2 HIS A 95 30.958 -25.901 -30.425 1.00 34.13 H new ATOM 0 HE1 HIS A 95 28.886 -22.986 -32.707 1.00 5.54 H new ATOM 0 HE2 HIS A 95 29.555 -25.437 -32.572 1.00 74.23 H new ATOM 1479 N VAL A 96 30.865 -23.090 -25.266 1.00 71.10 N ATOM 1480 CA VAL A 96 31.507 -22.573 -24.064 1.00 11.24 C ATOM 1481 C VAL A 96 32.797 -23.326 -23.762 1.00 23.32 C ATOM 1482 O VAL A 96 32.891 -24.534 -23.980 1.00 52.24 O ATOM 1483 CB VAL A 96 30.572 -22.669 -22.843 1.00 22.23 C ATOM 1484 CG1 VAL A 96 31.277 -22.172 -21.590 1.00 42.13 C ATOM 1485 CG2 VAL A 96 29.291 -21.888 -23.090 1.00 41.02 C ATOM 0 H VAL A 96 30.217 -23.860 -25.100 1.00 71.10 H new ATOM 0 HA VAL A 96 31.738 -21.525 -24.255 1.00 11.24 H new ATOM 0 HB VAL A 96 30.308 -23.716 -22.691 1.00 22.23 H new ATOM 0 HG11 VAL A 96 30.601 -22.247 -20.738 1.00 42.13 H new ATOM 0 HG12 VAL A 96 32.163 -22.780 -21.405 1.00 42.13 H new ATOM 0 HG13 VAL A 96 31.573 -21.132 -21.727 1.00 42.13 H new ATOM 0 HG21 VAL A 96 28.643 -21.967 -22.217 1.00 41.02 H new ATOM 0 HG22 VAL A 96 29.532 -20.840 -23.269 1.00 41.02 H new ATOM 0 HG23 VAL A 96 28.778 -22.296 -23.961 1.00 41.02 H new