USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 631 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 61 ASN : amide:sc= 0.113 X(o=0.58,f=0.56) USER MOD Set 1.2: A 63 SER OG : rot -29:sc= 0.468 USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0.11 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -110:sc= -0.407 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.328 USER MOD Single : A 21 TYR OH : rot 30:sc= -0.529 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 27 THR OG1 : rot 160:sc= 0.171 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -150:sc= -1.36 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -54:sc= 1.25 USER MOD Single : A 40 TYR OH : rot 100:sc= -0.87 USER MOD Single : A 41 GLN : amide:sc= 0.863 K(o=0.86,f=-0.38) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -130:sc= 1.25 (180deg=0.108) USER MOD Single : A 50 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.019) USER MOD Single : A 51 THR OG1 : rot 107:sc= 1.63 USER MOD Single : A 52 SER OG : rot -130:sc= -1.65! USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0375) USER MOD Single : A 54 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 90:sc= 0.404 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -138:sc= -1.5 (180deg=-1.72) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.732 K(o=-0.73,f=-6.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.745 K(o=0.75,f=-1.1) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.033) USER MOD Single : A 84 LYS NZ :NH3+ -165:sc= -0.102 (180deg=-0.483) USER MOD Single : A 87 GLN : amide:sc= 0.235 K(o=0.23,f=-4.8!) USER MOD Single : A 88 THR OG1 : rot 103:sc= 0.965 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -4.782 -26.071 0.528 1.00 0.00 N ATOM 221 CA TYR A 15 -5.847 -26.588 1.384 1.00 0.00 C ATOM 222 C TYR A 15 -6.943 -27.217 0.514 1.00 0.00 C ATOM 223 O TYR A 15 -7.189 -26.745 -0.601 1.00 0.00 O ATOM 224 CB TYR A 15 -6.438 -25.463 2.251 1.00 0.00 C ATOM 225 CG TYR A 15 -5.527 -24.995 3.374 1.00 0.00 C ATOM 226 CD1 TYR A 15 -4.507 -24.076 3.143 1.00 0.00 C ATOM 227 CD2 TYR A 15 -5.692 -25.473 4.671 1.00 0.00 C ATOM 228 CE1 TYR A 15 -3.682 -23.651 4.170 1.00 0.00 C ATOM 229 CE2 TYR A 15 -4.873 -25.049 5.701 1.00 0.00 C ATOM 230 CZ TYR A 15 -3.870 -24.140 5.446 1.00 0.00 C ATOM 231 OH TYR A 15 -3.055 -23.715 6.471 1.00 0.00 O ATOM 0 HA TYR A 15 -5.432 -27.347 2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.673 -24.612 1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -7.378 -25.808 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.357 -23.688 2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.474 -26.188 4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.894 -22.939 3.973 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.019 -25.429 6.701 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.464 -24.448 6.744 1.00 0.00 H new ATOM 241 N PRO A 16 -7.623 -28.283 0.992 1.00 0.00 N ATOM 242 CA PRO A 16 -7.397 -28.881 2.317 1.00 0.00 C ATOM 243 C PRO A 16 -6.149 -29.765 2.353 1.00 0.00 C ATOM 244 O PRO A 16 -5.580 -30.094 1.309 1.00 0.00 O ATOM 245 CB PRO A 16 -8.668 -29.728 2.562 1.00 0.00 C ATOM 246 CG PRO A 16 -9.565 -29.478 1.387 1.00 0.00 C ATOM 247 CD PRO A 16 -8.679 -29.000 0.272 1.00 0.00 C ATOM 0 HA PRO A 16 -7.228 -28.119 3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.421 -30.786 2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.155 -29.439 3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.093 -30.388 1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.322 -28.732 1.628 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.281 -29.829 -0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.213 -28.349 -0.420 1.00 0.00 H new ATOM 255 N CYS A 17 -5.728 -30.138 3.557 1.00 0.00 N ATOM 256 CA CYS A 17 -4.556 -30.988 3.735 1.00 0.00 C ATOM 257 C CYS A 17 -4.559 -31.618 5.126 1.00 0.00 C ATOM 258 O CYS A 17 -5.149 -31.070 6.062 1.00 0.00 O ATOM 259 CB CYS A 17 -3.272 -30.174 3.529 1.00 0.00 C ATOM 260 SG CYS A 17 -1.750 -31.143 3.669 1.00 0.00 S ATOM 0 H CYS A 17 -6.183 -29.864 4.428 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.592 -31.784 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.304 -29.709 2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.245 -29.367 4.262 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.723 -30.369 3.477 1.00 0.00 H new ATOM 266 N LEU A 18 -3.918 -32.778 5.243 1.00 0.00 N ATOM 267 CA LEU A 18 -3.752 -33.449 6.529 1.00 0.00 C ATOM 268 C LEU A 18 -2.715 -32.717 7.375 1.00 0.00 C ATOM 269 O LEU A 18 -1.507 -32.850 7.151 1.00 0.00 O ATOM 270 CB LEU A 18 -3.316 -34.907 6.318 1.00 0.00 C ATOM 271 CG LEU A 18 -4.378 -35.830 5.700 1.00 0.00 C ATOM 272 CD1 LEU A 18 -3.748 -37.132 5.214 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.493 -36.117 6.705 1.00 0.00 C ATOM 0 H LEU A 18 -3.502 -33.276 4.456 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.709 -33.438 7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.434 -34.916 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.015 -35.321 7.280 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.812 -35.319 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.519 -37.769 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.993 -36.911 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.282 -37.647 6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.235 -36.772 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.073 -36.603 7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.968 -35.181 6.999 1.00 0.00 H new ATOM 285 N TRP A 19 -3.193 -31.948 8.343 1.00 0.00 N ATOM 286 CA TRP A 19 -2.320 -31.191 9.229 1.00 0.00 C ATOM 287 C TRP A 19 -2.017 -32.021 10.477 1.00 0.00 C ATOM 288 O TRP A 19 -2.924 -32.608 11.076 1.00 0.00 O ATOM 289 CB TRP A 19 -2.974 -29.851 9.608 1.00 0.00 C ATOM 290 CG TRP A 19 -1.992 -28.816 10.084 1.00 0.00 C ATOM 291 CD1 TRP A 19 -1.501 -28.660 11.351 1.00 0.00 C ATOM 292 CD2 TRP A 19 -1.378 -27.789 9.289 1.00 0.00 C ATOM 293 NE1 TRP A 19 -0.621 -27.607 11.389 1.00 0.00 N ATOM 294 CE2 TRP A 19 -0.528 -27.057 10.138 1.00 0.00 C ATOM 295 CE3 TRP A 19 -1.463 -27.420 7.941 1.00 0.00 C ATOM 296 CZ2 TRP A 19 0.228 -25.978 9.686 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -0.710 -26.350 7.495 1.00 0.00 C ATOM 298 CH2 TRP A 19 0.128 -25.641 8.365 1.00 0.00 C ATOM 0 H TRP A 19 -4.188 -31.832 8.536 1.00 0.00 H new ATOM 0 HA TRP A 19 -1.384 -30.974 8.715 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -3.510 -29.460 8.743 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -3.713 -30.025 10.390 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -1.767 -29.275 12.198 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.117 -27.286 12.216 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.105 -27.961 7.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.871 -25.427 10.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.769 -26.056 6.458 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.706 -24.812 7.985 1.00 0.00 H new ATOM 309 N ASP A 20 -0.742 -32.088 10.847 1.00 0.00 N ATOM 310 CA ASP A 20 -0.307 -32.882 11.998 1.00 0.00 C ATOM 311 C ASP A 20 -0.117 -32.000 13.230 1.00 0.00 C ATOM 312 O ASP A 20 0.423 -30.893 13.144 1.00 0.00 O ATOM 313 CB ASP A 20 0.991 -33.649 11.680 1.00 0.00 C ATOM 314 CG ASP A 20 2.115 -32.752 11.177 1.00 0.00 C ATOM 315 OD1 ASP A 20 2.164 -32.485 9.953 1.00 0.00 O ATOM 316 OD2 ASP A 20 2.960 -32.317 11.990 1.00 0.00 O ATOM 0 H ASP A 20 0.014 -31.600 10.366 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.090 -33.609 12.215 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.326 -34.170 12.577 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.780 -34.410 10.929 1.00 0.00 H new ATOM 321 N TYR A 21 -0.584 -32.501 14.372 1.00 0.00 N ATOM 322 CA TYR A 21 -0.487 -31.792 15.645 1.00 0.00 C ATOM 323 C TYR A 21 0.196 -32.677 16.692 1.00 0.00 C ATOM 324 O TYR A 21 -0.331 -33.728 17.060 1.00 0.00 O ATOM 325 CB TYR A 21 -1.885 -31.409 16.165 1.00 0.00 C ATOM 326 CG TYR A 21 -2.727 -30.579 15.209 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.547 -31.191 14.265 1.00 0.00 C ATOM 328 CD2 TYR A 21 -2.721 -29.186 15.264 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.328 -30.444 13.405 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.505 -28.434 14.408 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.306 -29.068 13.481 1.00 0.00 C ATOM 332 OH TYR A 21 -5.091 -28.325 12.629 1.00 0.00 O ATOM 0 H TYR A 21 -1.040 -33.411 14.440 1.00 0.00 H new ATOM 0 HA TYR A 21 0.099 -30.888 15.479 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.429 -32.323 16.403 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.769 -30.855 17.096 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.573 -32.269 14.204 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.094 -28.686 15.987 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.954 -30.936 12.675 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.490 -27.356 14.465 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.897 -28.833 12.400 1.00 0.00 H new ATOM 342 N ARG A 22 1.366 -32.263 17.161 1.00 0.00 N ATOM 343 CA ARG A 22 2.018 -32.932 18.285 1.00 0.00 C ATOM 344 C ARG A 22 1.362 -32.467 19.583 1.00 0.00 C ATOM 345 O ARG A 22 1.524 -31.313 19.985 1.00 0.00 O ATOM 346 CB ARG A 22 3.523 -32.618 18.306 1.00 0.00 C ATOM 347 CG ARG A 22 4.261 -33.140 19.544 1.00 0.00 C ATOM 348 CD ARG A 22 4.325 -34.664 19.591 1.00 0.00 C ATOM 349 NE ARG A 22 5.081 -35.213 18.462 1.00 0.00 N ATOM 350 CZ ARG A 22 6.149 -36.006 18.580 1.00 0.00 C ATOM 351 NH1 ARG A 22 6.630 -36.327 19.775 1.00 0.00 N ATOM 352 NH2 ARG A 22 6.758 -36.452 17.494 1.00 0.00 N ATOM 0 H ARG A 22 1.884 -31.469 16.783 1.00 0.00 H new ATOM 0 HA ARG A 22 1.903 -34.011 18.179 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.984 -33.046 17.416 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.657 -31.538 18.246 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.274 -32.737 19.555 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.762 -32.773 20.441 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.788 -34.979 20.526 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.314 -35.071 19.583 1.00 0.00 H new ATOM 0 HE ARG A 22 4.770 -34.973 17.521 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.183 -35.967 20.618 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.446 -36.934 19.850 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.412 -36.190 16.571 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.574 -37.058 17.579 1.00 0.00 H new ATOM 366 N VAL A 23 0.618 -33.360 20.225 1.00 0.00 N ATOM 367 CA VAL A 23 -0.127 -33.025 21.436 1.00 0.00 C ATOM 368 C VAL A 23 0.494 -33.705 22.652 1.00 0.00 C ATOM 369 O VAL A 23 0.333 -34.907 22.851 1.00 0.00 O ATOM 370 CB VAL A 23 -1.617 -33.444 21.317 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.395 -33.059 22.574 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.253 -32.825 20.071 1.00 0.00 C ATOM 0 H VAL A 23 0.513 -34.329 19.925 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.078 -31.943 21.560 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.658 -34.529 21.217 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.436 -33.363 22.465 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.959 -33.559 23.439 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.346 -31.979 22.716 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.297 -33.131 20.005 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.196 -31.738 20.135 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.719 -33.164 19.183 1.00 0.00 H new ATOM 382 N ILE A 24 1.221 -32.937 23.452 1.00 0.00 N ATOM 383 CA ILE A 24 1.847 -33.464 24.659 1.00 0.00 C ATOM 384 C ILE A 24 1.005 -33.113 25.884 1.00 0.00 C ATOM 385 O ILE A 24 0.891 -31.938 26.257 1.00 0.00 O ATOM 386 CB ILE A 24 3.287 -32.917 24.840 1.00 0.00 C ATOM 387 CG1 ILE A 24 4.127 -33.200 23.582 1.00 0.00 C ATOM 388 CG2 ILE A 24 3.945 -33.529 26.081 1.00 0.00 C ATOM 389 CD1 ILE A 24 5.530 -32.629 23.639 1.00 0.00 C ATOM 0 H ILE A 24 1.393 -31.945 23.287 1.00 0.00 H new ATOM 0 HA ILE A 24 1.907 -34.547 24.555 1.00 0.00 H new ATOM 0 HB ILE A 24 3.233 -31.838 24.983 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.190 -34.278 23.434 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.613 -32.788 22.714 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.954 -33.133 26.190 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.359 -33.278 26.965 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.991 -34.613 25.972 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.059 -32.870 22.717 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.478 -31.546 23.755 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.064 -33.059 24.486 1.00 0.00 H new ATOM 401 N MET A 25 0.399 -34.129 26.495 1.00 0.00 N ATOM 402 CA MET A 25 -0.429 -33.935 27.685 1.00 0.00 C ATOM 403 C MET A 25 0.108 -34.763 28.844 1.00 0.00 C ATOM 404 O MET A 25 0.863 -35.715 28.642 1.00 0.00 O ATOM 405 CB MET A 25 -1.898 -34.308 27.411 1.00 0.00 C ATOM 406 CG MET A 25 -2.560 -33.462 26.329 1.00 0.00 C ATOM 407 SD MET A 25 -4.365 -33.454 26.440 1.00 0.00 S ATOM 408 CE MET A 25 -4.767 -35.170 26.116 1.00 0.00 C ATOM 0 H MET A 25 0.466 -35.098 26.185 1.00 0.00 H new ATOM 0 HA MET A 25 -0.389 -32.878 27.950 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.948 -35.357 27.119 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.466 -34.207 28.336 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.193 -32.438 26.401 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.264 -33.838 25.350 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.848 -35.304 26.154 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.402 -35.449 25.128 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.296 -35.802 26.869 1.00 0.00 H new ATOM 418 N THR A 26 -0.284 -34.391 30.059 1.00 0.00 N ATOM 419 CA THR A 26 0.115 -35.113 31.262 1.00 0.00 C ATOM 420 C THR A 26 -0.949 -36.143 31.654 1.00 0.00 C ATOM 421 O THR A 26 -1.101 -36.489 32.830 1.00 0.00 O ATOM 422 CB THR A 26 0.366 -34.128 32.431 1.00 0.00 C ATOM 423 OG1 THR A 26 -0.696 -33.161 32.501 1.00 0.00 O ATOM 424 CG2 THR A 26 1.704 -33.411 32.267 1.00 0.00 C ATOM 0 H THR A 26 -0.884 -33.585 30.237 1.00 0.00 H new ATOM 0 HA THR A 26 1.044 -35.641 31.048 1.00 0.00 H new ATOM 0 HB THR A 26 0.394 -34.704 33.356 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.528 -32.544 33.244 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.854 -32.726 33.101 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.510 -34.144 32.250 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.704 -32.850 31.332 1.00 0.00 H new ATOM 432 N THR A 27 -1.667 -36.645 30.653 1.00 0.00 N ATOM 433 CA THR A 27 -2.704 -37.647 30.857 1.00 0.00 C ATOM 434 C THR A 27 -2.816 -38.537 29.620 1.00 0.00 C ATOM 435 O THR A 27 -2.637 -38.068 28.492 1.00 0.00 O ATOM 436 CB THR A 27 -4.082 -36.991 31.144 1.00 0.00 C ATOM 437 OG1 THR A 27 -5.062 -37.991 31.468 1.00 0.00 O ATOM 438 CG2 THR A 27 -4.567 -36.180 29.946 1.00 0.00 C ATOM 0 H THR A 27 -1.545 -36.368 29.679 1.00 0.00 H new ATOM 0 HA THR A 27 -2.422 -38.245 31.724 1.00 0.00 H new ATOM 0 HB THR A 27 -3.954 -36.321 31.994 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.809 -37.574 31.947 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.534 -35.733 30.177 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.847 -35.393 29.724 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.667 -36.834 29.080 1.00 0.00 H new ATOM 446 N LYS A 28 -3.078 -39.823 29.834 1.00 0.00 N ATOM 447 CA LYS A 28 -3.355 -40.744 28.734 1.00 0.00 C ATOM 448 C LYS A 28 -4.846 -40.738 28.425 1.00 0.00 C ATOM 449 O LYS A 28 -5.288 -41.264 27.397 1.00 0.00 O ATOM 450 CB LYS A 28 -2.903 -42.170 29.076 1.00 0.00 C ATOM 451 CG LYS A 28 -1.403 -42.304 29.306 1.00 0.00 C ATOM 452 CD LYS A 28 -0.989 -43.752 29.568 1.00 0.00 C ATOM 453 CE LYS A 28 -1.665 -44.325 30.809 1.00 0.00 C ATOM 454 NZ LYS A 28 -1.249 -45.729 31.067 1.00 0.00 N ATOM 0 H LYS A 28 -3.105 -40.252 30.759 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.795 -40.410 27.860 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.429 -42.502 29.971 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.198 -42.838 28.267 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.868 -41.926 28.435 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.110 -41.684 30.154 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.243 -44.364 28.702 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.093 -43.803 29.689 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.419 -43.709 31.674 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.747 -44.284 30.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.730 -46.083 31.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.506 -46.322 30.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.220 -45.765 31.211 1.00 0.00 H new ATOM 468 N ASP A 29 -5.615 -40.128 29.323 1.00 0.00 N ATOM 469 CA ASP A 29 -7.062 -40.073 29.194 1.00 0.00 C ATOM 470 C ASP A 29 -7.454 -38.974 28.215 1.00 0.00 C ATOM 471 O ASP A 29 -7.800 -37.854 28.603 1.00 0.00 O ATOM 472 CB ASP A 29 -7.718 -39.850 30.563 1.00 0.00 C ATOM 473 CG ASP A 29 -9.234 -39.760 30.483 1.00 0.00 C ATOM 474 OD1 ASP A 29 -9.860 -40.678 29.909 1.00 0.00 O ATOM 475 OD2 ASP A 29 -9.809 -38.785 31.018 1.00 0.00 O ATOM 0 H ASP A 29 -5.252 -39.662 30.154 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.419 -41.027 28.805 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.442 -40.666 31.230 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.327 -38.933 31.003 1.00 0.00 H new ATOM 480 N THR A 30 -7.336 -39.294 26.935 1.00 0.00 N ATOM 481 CA THR A 30 -7.694 -38.373 25.875 1.00 0.00 C ATOM 482 C THR A 30 -9.165 -38.557 25.493 1.00 0.00 C ATOM 483 O THR A 30 -9.552 -39.573 24.912 1.00 0.00 O ATOM 484 CB THR A 30 -6.775 -38.552 24.635 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.214 -37.713 23.560 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.728 -40.005 24.166 1.00 0.00 C ATOM 0 H THR A 30 -6.991 -40.196 26.606 1.00 0.00 H new ATOM 0 HA THR A 30 -7.551 -37.357 26.244 1.00 0.00 H new ATOM 0 HB THR A 30 -5.769 -38.261 24.936 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.989 -38.134 22.704 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.075 -40.086 23.297 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.344 -40.634 24.969 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.732 -40.333 23.897 1.00 0.00 H new ATOM 494 N SER A 31 -9.987 -37.593 25.877 1.00 0.00 N ATOM 495 CA SER A 31 -11.404 -37.603 25.552 1.00 0.00 C ATOM 496 C SER A 31 -11.773 -36.309 24.838 1.00 0.00 C ATOM 497 O SER A 31 -12.080 -36.312 23.644 1.00 0.00 O ATOM 498 CB SER A 31 -12.227 -37.770 26.835 1.00 0.00 C ATOM 499 OG SER A 31 -11.848 -36.807 27.807 1.00 0.00 O ATOM 0 H SER A 31 -9.691 -36.783 26.422 1.00 0.00 H new ATOM 0 HA SER A 31 -11.623 -38.440 24.889 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.288 -37.666 26.608 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.084 -38.773 27.236 1.00 0.00 H new ATOM 0 HG SER A 31 -12.386 -36.930 28.617 1.00 0.00 H new ATOM 505 N THR A 32 -11.689 -35.201 25.572 1.00 0.00 N ATOM 506 CA THR A 32 -12.000 -33.878 25.041 1.00 0.00 C ATOM 507 C THR A 32 -11.211 -33.600 23.759 1.00 0.00 C ATOM 508 O THR A 32 -11.705 -32.934 22.847 1.00 0.00 O ATOM 509 CB THR A 32 -11.692 -32.789 26.092 1.00 0.00 C ATOM 510 OG1 THR A 32 -12.362 -33.108 27.321 1.00 0.00 O ATOM 511 CG2 THR A 32 -12.135 -31.406 25.617 1.00 0.00 C ATOM 0 H THR A 32 -11.403 -35.197 26.551 1.00 0.00 H new ATOM 0 HA THR A 32 -13.064 -33.855 24.804 1.00 0.00 H new ATOM 0 HB THR A 32 -10.613 -32.764 26.245 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.166 -32.418 27.989 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.902 -30.666 26.383 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.610 -31.152 24.696 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.209 -31.411 25.433 1.00 0.00 H new ATOM 519 N LEU A 33 -9.993 -34.138 23.693 1.00 0.00 N ATOM 520 CA LEU A 33 -9.144 -33.989 22.515 1.00 0.00 C ATOM 521 C LEU A 33 -9.839 -34.559 21.280 1.00 0.00 C ATOM 522 O LEU A 33 -9.822 -33.954 20.213 1.00 0.00 O ATOM 523 CB LEU A 33 -7.796 -34.691 22.737 1.00 0.00 C ATOM 524 CG LEU A 33 -6.806 -34.618 21.557 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.464 -33.168 21.221 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.537 -35.416 21.864 1.00 0.00 C ATOM 0 H LEU A 33 -9.573 -34.683 24.446 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.963 -32.927 22.352 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.320 -34.255 23.615 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.986 -35.740 22.965 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.287 -35.063 20.686 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.764 -33.143 20.386 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.374 -32.633 20.948 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.009 -32.691 22.089 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.853 -35.351 21.018 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.056 -35.007 22.752 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.797 -36.460 22.040 1.00 0.00 H new ATOM 538 N LYS A 34 -10.459 -35.723 21.439 1.00 0.00 N ATOM 539 CA LYS A 34 -11.174 -36.371 20.343 1.00 0.00 C ATOM 540 C LYS A 34 -12.504 -35.667 20.091 1.00 0.00 C ATOM 541 O LYS A 34 -12.898 -35.437 18.946 1.00 0.00 O ATOM 542 CB LYS A 34 -11.419 -37.849 20.667 1.00 0.00 C ATOM 543 CG LYS A 34 -10.153 -38.623 21.031 1.00 0.00 C ATOM 544 CD LYS A 34 -10.453 -40.089 21.333 1.00 0.00 C ATOM 545 CE LYS A 34 -11.467 -40.239 22.461 1.00 0.00 C ATOM 546 NZ LYS A 34 -11.807 -41.663 22.715 1.00 0.00 N ATOM 0 H LYS A 34 -10.481 -36.239 22.318 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.562 -36.304 19.443 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.125 -37.917 21.495 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.890 -38.326 19.807 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.439 -38.560 20.210 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.682 -38.162 21.899 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.834 -40.574 20.435 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.529 -40.601 21.604 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.066 -39.794 23.371 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.374 -39.689 22.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.499 -41.722 23.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.214 -42.082 21.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.946 -42.183 22.980 1.00 0.00 H new ATOM 560 N GLU A 35 -13.182 -35.315 21.182 1.00 0.00 N ATOM 561 CA GLU A 35 -14.488 -34.665 21.117 1.00 0.00 C ATOM 562 C GLU A 35 -14.422 -33.381 20.289 1.00 0.00 C ATOM 563 O GLU A 35 -15.257 -33.159 19.410 1.00 0.00 O ATOM 564 CB GLU A 35 -15.002 -34.346 22.529 1.00 0.00 C ATOM 565 CG GLU A 35 -15.157 -35.566 23.436 1.00 0.00 C ATOM 566 CD GLU A 35 -16.155 -36.585 22.905 1.00 0.00 C ATOM 567 OE1 GLU A 35 -17.312 -36.203 22.634 1.00 0.00 O ATOM 568 OE2 GLU A 35 -15.796 -37.777 22.778 1.00 0.00 O ATOM 0 H GLU A 35 -12.843 -35.472 22.131 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.179 -35.355 20.633 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.317 -33.642 23.001 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.967 -33.845 22.447 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.186 -36.047 23.557 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.475 -35.237 24.425 1.00 0.00 H new ATOM 575 N LEU A 36 -13.418 -32.545 20.563 1.00 0.00 N ATOM 576 CA LEU A 36 -13.276 -31.267 19.866 1.00 0.00 C ATOM 577 C LEU A 36 -13.051 -31.498 18.374 1.00 0.00 C ATOM 578 O LEU A 36 -13.482 -30.706 17.543 1.00 0.00 O ATOM 579 CB LEU A 36 -12.136 -30.425 20.484 1.00 0.00 C ATOM 580 CG LEU A 36 -10.693 -30.924 20.241 1.00 0.00 C ATOM 581 CD1 LEU A 36 -10.127 -30.399 18.921 1.00 0.00 C ATOM 582 CD2 LEU A 36 -9.782 -30.535 21.403 1.00 0.00 C ATOM 0 H LEU A 36 -12.695 -32.729 21.259 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.201 -30.703 19.985 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.215 -29.409 20.096 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.300 -30.369 21.560 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.732 -32.011 20.176 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.112 -30.772 18.787 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.751 -30.741 18.096 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.114 -29.309 18.938 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.772 -30.896 21.210 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.766 -29.450 21.505 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.157 -30.981 22.324 1.00 0.00 H new ATOM 594 N LEU A 37 -12.388 -32.601 18.041 1.00 0.00 N ATOM 595 CA LEU A 37 -12.145 -32.961 16.647 1.00 0.00 C ATOM 596 C LEU A 37 -13.458 -33.351 15.972 1.00 0.00 C ATOM 597 O LEU A 37 -13.728 -32.968 14.830 1.00 0.00 O ATOM 598 CB LEU A 37 -11.136 -34.118 16.562 1.00 0.00 C ATOM 599 CG LEU A 37 -9.753 -33.828 17.172 1.00 0.00 C ATOM 600 CD1 LEU A 37 -8.880 -35.079 17.168 1.00 0.00 C ATOM 601 CD2 LEU A 37 -9.061 -32.688 16.431 1.00 0.00 C ATOM 0 H LEU A 37 -12.009 -33.263 18.718 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.726 -32.099 16.129 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.561 -34.987 17.063 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.004 -34.387 15.514 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.902 -33.522 18.208 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.909 -34.846 17.604 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.363 -35.861 17.754 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.744 -35.424 16.143 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.086 -32.501 16.880 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.932 -32.960 15.383 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.670 -31.787 16.499 1.00 0.00 H new ATOM 613 N GLU A 38 -14.286 -34.090 16.706 1.00 0.00 N ATOM 614 CA GLU A 38 -15.559 -34.571 16.183 1.00 0.00 C ATOM 615 C GLU A 38 -16.558 -33.433 15.981 1.00 0.00 C ATOM 616 O GLU A 38 -17.512 -33.582 15.224 1.00 0.00 O ATOM 617 CB GLU A 38 -16.164 -35.646 17.097 1.00 0.00 C ATOM 618 CG GLU A 38 -15.372 -36.950 17.126 1.00 0.00 C ATOM 619 CD GLU A 38 -16.096 -38.055 17.876 1.00 0.00 C ATOM 620 OE1 GLU A 38 -15.957 -38.133 19.113 1.00 0.00 O ATOM 621 OE2 GLU A 38 -16.822 -38.847 17.233 1.00 0.00 O ATOM 0 H GLU A 38 -14.096 -34.369 17.668 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.352 -35.015 15.209 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.232 -35.251 18.111 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.182 -35.858 16.769 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.178 -37.276 16.104 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.403 -36.773 17.593 1.00 0.00 H new ATOM 628 N THR A 39 -16.349 -32.293 16.642 1.00 0.00 N ATOM 629 CA THR A 39 -17.262 -31.158 16.478 1.00 0.00 C ATOM 630 C THR A 39 -17.223 -30.635 15.038 1.00 0.00 C ATOM 631 O THR A 39 -18.128 -29.926 14.596 1.00 0.00 O ATOM 632 CB THR A 39 -16.962 -29.998 17.461 1.00 0.00 C ATOM 633 OG1 THR A 39 -15.712 -29.372 17.142 1.00 0.00 O ATOM 634 CG2 THR A 39 -16.929 -30.494 18.902 1.00 0.00 C ATOM 0 H THR A 39 -15.573 -32.131 17.283 1.00 0.00 H new ATOM 0 HA THR A 39 -18.260 -31.532 16.707 1.00 0.00 H new ATOM 0 HB THR A 39 -17.764 -29.267 17.359 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.005 -30.050 17.113 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.716 -29.659 19.569 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.895 -30.928 19.160 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.152 -31.251 19.009 1.00 0.00 H new ATOM 642 N TYR A 40 -16.166 -30.994 14.308 1.00 0.00 N ATOM 643 CA TYR A 40 -16.040 -30.629 12.897 1.00 0.00 C ATOM 644 C TYR A 40 -16.621 -31.738 12.015 1.00 0.00 C ATOM 645 O TYR A 40 -16.715 -31.590 10.799 1.00 0.00 O ATOM 646 CB TYR A 40 -14.566 -30.378 12.537 1.00 0.00 C ATOM 647 CG TYR A 40 -13.887 -29.342 13.419 1.00 0.00 C ATOM 648 CD1 TYR A 40 -13.922 -27.986 13.102 1.00 0.00 C ATOM 649 CD2 TYR A 40 -13.216 -29.726 14.576 1.00 0.00 C ATOM 650 CE1 TYR A 40 -13.308 -27.049 13.915 1.00 0.00 C ATOM 651 CE2 TYR A 40 -12.602 -28.795 15.390 1.00 0.00 C ATOM 652 CZ TYR A 40 -12.650 -27.459 15.055 1.00 0.00 C ATOM 653 OH TYR A 40 -12.043 -26.528 15.864 1.00 0.00 O ATOM 0 H TYR A 40 -15.384 -31.538 14.672 1.00 0.00 H new ATOM 0 HA TYR A 40 -16.599 -29.710 12.722 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.019 -31.318 12.609 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.506 -30.053 11.498 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.436 -27.661 12.209 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.175 -30.772 14.842 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.344 -26.001 13.657 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.087 -29.112 16.285 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.621 -26.334 16.631 1.00 0.00 H new ATOM 663 N GLN A 41 -16.978 -32.858 12.655 1.00 0.00 N ATOM 664 CA GLN A 41 -17.589 -34.023 11.993 1.00 0.00 C ATOM 665 C GLN A 41 -16.641 -34.703 10.997 1.00 0.00 C ATOM 666 O GLN A 41 -16.986 -35.739 10.422 1.00 0.00 O ATOM 667 CB GLN A 41 -18.907 -33.643 11.294 1.00 0.00 C ATOM 668 CG GLN A 41 -20.050 -33.294 12.246 1.00 0.00 C ATOM 669 CD GLN A 41 -20.436 -34.444 13.167 1.00 0.00 C ATOM 670 OE1 GLN A 41 -21.260 -35.290 12.817 1.00 0.00 O ATOM 671 NE2 GLN A 41 -19.867 -34.473 14.361 1.00 0.00 N ATOM 0 H GLN A 41 -16.850 -32.985 13.659 1.00 0.00 H new ATOM 0 HA GLN A 41 -17.803 -34.742 12.784 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -18.724 -32.792 10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.220 -34.472 10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -19.761 -32.434 12.850 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -20.921 -32.996 11.663 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -19.188 -33.757 14.620 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -20.107 -35.211 15.023 1.00 0.00 H new ATOM 680 N ARG A 42 -15.452 -34.140 10.807 1.00 0.00 N ATOM 681 CA ARG A 42 -14.485 -34.687 9.860 1.00 0.00 C ATOM 682 C ARG A 42 -13.606 -35.735 10.553 1.00 0.00 C ATOM 683 O ARG A 42 -13.398 -35.669 11.766 1.00 0.00 O ATOM 684 CB ARG A 42 -13.621 -33.565 9.262 1.00 0.00 C ATOM 685 CG ARG A 42 -12.665 -32.912 10.253 1.00 0.00 C ATOM 686 CD ARG A 42 -11.742 -31.908 9.569 1.00 0.00 C ATOM 687 NE ARG A 42 -12.418 -30.658 9.203 1.00 0.00 N ATOM 688 CZ ARG A 42 -12.824 -30.343 7.969 1.00 0.00 C ATOM 689 NH1 ARG A 42 -12.724 -31.220 6.974 1.00 0.00 N ATOM 690 NH2 ARG A 42 -13.326 -29.141 7.734 1.00 0.00 N ATOM 0 H ARG A 42 -15.134 -33.304 11.297 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.026 -35.169 9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.043 -33.971 8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.277 -32.798 8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.237 -32.408 11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.067 -33.681 10.743 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.907 -31.681 10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.322 -32.363 8.672 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.591 -29.980 9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.334 -32.146 7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.038 -30.966 6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.401 -28.462 8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.638 -28.893 6.795 1.00 0.00 H new ATOM 704 N PRO A 43 -13.084 -36.718 9.793 1.00 0.00 N ATOM 705 CA PRO A 43 -12.258 -37.799 10.351 1.00 0.00 C ATOM 706 C PRO A 43 -10.898 -37.308 10.849 1.00 0.00 C ATOM 707 O PRO A 43 -10.419 -36.239 10.451 1.00 0.00 O ATOM 708 CB PRO A 43 -12.086 -38.763 9.168 1.00 0.00 C ATOM 709 CG PRO A 43 -12.241 -37.904 7.960 1.00 0.00 C ATOM 710 CD PRO A 43 -13.256 -36.857 8.332 1.00 0.00 C ATOM 0 HA PRO A 43 -12.724 -38.253 11.225 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.109 -39.246 9.189 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.834 -39.556 9.190 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.292 -37.447 7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.578 -38.489 7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.071 -35.916 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -14.268 -37.169 8.074 1.00 0.00 H new ATOM 718 N PHE A 44 -10.282 -38.107 11.716 1.00 0.00 N ATOM 719 CA PHE A 44 -8.979 -37.789 12.292 1.00 0.00 C ATOM 720 C PHE A 44 -8.252 -39.074 12.686 1.00 0.00 C ATOM 721 O PHE A 44 -8.877 -40.129 12.848 1.00 0.00 O ATOM 722 CB PHE A 44 -9.142 -36.879 13.521 1.00 0.00 C ATOM 723 CG PHE A 44 -9.932 -37.506 14.648 1.00 0.00 C ATOM 724 CD1 PHE A 44 -11.317 -37.410 14.683 1.00 0.00 C ATOM 725 CD2 PHE A 44 -9.288 -38.192 15.672 1.00 0.00 C ATOM 726 CE1 PHE A 44 -12.041 -37.983 15.712 1.00 0.00 C ATOM 727 CE2 PHE A 44 -10.008 -38.766 16.703 1.00 0.00 C ATOM 728 CZ PHE A 44 -11.386 -38.662 16.724 1.00 0.00 C ATOM 0 H PHE A 44 -10.672 -38.993 12.039 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.388 -37.261 11.543 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.154 -36.605 13.892 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.635 -35.956 13.215 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.835 -36.881 13.897 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.211 -38.277 15.662 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.118 -37.901 15.726 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.494 -39.295 17.492 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.950 -39.110 17.529 1.00 0.00 H new ATOM 738 N LYS A 45 -6.937 -38.988 12.839 1.00 0.00 N ATOM 739 CA LYS A 45 -6.134 -40.125 13.272 1.00 0.00 C ATOM 740 C LYS A 45 -5.461 -39.821 14.609 1.00 0.00 C ATOM 741 O LYS A 45 -4.580 -38.960 14.689 1.00 0.00 O ATOM 742 CB LYS A 45 -5.079 -40.477 12.213 1.00 0.00 C ATOM 743 CG LYS A 45 -4.257 -41.720 12.552 1.00 0.00 C ATOM 744 CD LYS A 45 -3.274 -42.082 11.440 1.00 0.00 C ATOM 745 CE LYS A 45 -2.235 -40.989 11.213 1.00 0.00 C ATOM 746 NZ LYS A 45 -1.311 -41.331 10.101 1.00 0.00 N ATOM 0 H LYS A 45 -6.401 -38.137 12.669 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.794 -40.983 13.399 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.576 -40.631 11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.405 -39.629 12.089 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.708 -41.549 13.478 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.928 -42.560 12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.769 -43.014 11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.823 -42.257 10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.739 -40.048 10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.662 -40.836 12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.619 -40.565 9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.812 -42.216 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.855 -41.453 9.223 1.00 0.00 H new ATOM 760 N LEU A 46 -5.900 -40.518 15.653 1.00 0.00 N ATOM 761 CA LEU A 46 -5.323 -40.380 16.986 1.00 0.00 C ATOM 762 C LEU A 46 -4.135 -41.329 17.137 1.00 0.00 C ATOM 763 O LEU A 46 -4.290 -42.549 17.032 1.00 0.00 O ATOM 764 CB LEU A 46 -6.380 -40.685 18.060 1.00 0.00 C ATOM 765 CG LEU A 46 -5.902 -40.549 19.519 1.00 0.00 C ATOM 766 CD1 LEU A 46 -5.544 -39.099 19.843 1.00 0.00 C ATOM 767 CD2 LEU A 46 -6.962 -41.076 20.485 1.00 0.00 C ATOM 0 H LEU A 46 -6.663 -41.192 15.599 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.980 -39.354 17.116 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.228 -40.017 17.910 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.744 -41.701 17.908 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.002 -41.152 19.639 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.210 -39.029 20.878 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.746 -38.765 19.181 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.421 -38.467 19.702 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.605 -40.971 21.510 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.883 -40.506 20.361 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.156 -42.128 20.274 1.00 0.00 H new ATOM 779 N GLU A 47 -2.957 -40.761 17.368 1.00 0.00 N ATOM 780 CA GLU A 47 -1.724 -41.533 17.507 1.00 0.00 C ATOM 781 C GLU A 47 -1.090 -41.298 18.878 1.00 0.00 C ATOM 782 O GLU A 47 -0.827 -40.157 19.251 1.00 0.00 O ATOM 783 CB GLU A 47 -0.723 -41.113 16.417 1.00 0.00 C ATOM 784 CG GLU A 47 -1.150 -41.450 14.992 1.00 0.00 C ATOM 785 CD GLU A 47 -1.023 -42.930 14.678 1.00 0.00 C ATOM 786 OE1 GLU A 47 0.098 -43.378 14.356 1.00 0.00 O ATOM 787 OE2 GLU A 47 -2.036 -43.650 14.750 1.00 0.00 O ATOM 0 H GLU A 47 -2.828 -39.754 17.464 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.969 -42.590 17.404 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.560 -40.038 16.488 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.234 -41.594 16.618 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.184 -41.138 14.843 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.541 -40.880 14.290 1.00 0.00 H new ATOM 794 N PHE A 48 -0.857 -42.368 19.631 1.00 0.00 N ATOM 795 CA PHE A 48 -0.063 -42.276 20.853 1.00 0.00 C ATOM 796 C PHE A 48 1.335 -42.820 20.573 1.00 0.00 C ATOM 797 O PHE A 48 1.520 -44.028 20.404 1.00 0.00 O ATOM 798 CB PHE A 48 -0.720 -43.042 22.008 1.00 0.00 C ATOM 799 CG PHE A 48 0.058 -42.954 23.302 1.00 0.00 C ATOM 800 CD1 PHE A 48 0.383 -41.718 23.847 1.00 0.00 C ATOM 801 CD2 PHE A 48 0.473 -44.100 23.966 1.00 0.00 C ATOM 802 CE1 PHE A 48 1.101 -41.630 25.024 1.00 0.00 C ATOM 803 CE2 PHE A 48 1.193 -44.015 25.144 1.00 0.00 C ATOM 804 CZ PHE A 48 1.506 -42.779 25.673 1.00 0.00 C ATOM 0 H PHE A 48 -1.204 -43.304 19.419 1.00 0.00 H new ATOM 0 HA PHE A 48 0.001 -41.231 21.157 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.725 -42.652 22.169 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.826 -44.090 21.726 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.070 -40.815 23.344 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.231 -45.070 23.558 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.345 -40.662 25.436 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.510 -44.915 25.650 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.067 -42.711 26.593 1.00 0.00 H new ATOM 814 N LYS A 49 2.314 -41.923 20.515 1.00 0.00 N ATOM 815 CA LYS A 49 3.657 -42.284 20.071 1.00 0.00 C ATOM 816 C LYS A 49 4.514 -42.818 21.218 1.00 0.00 C ATOM 817 O LYS A 49 4.855 -44.002 21.245 1.00 0.00 O ATOM 818 CB LYS A 49 4.344 -41.079 19.408 1.00 0.00 C ATOM 819 CG LYS A 49 3.621 -40.561 18.164 1.00 0.00 C ATOM 820 CD LYS A 49 3.421 -41.663 17.123 1.00 0.00 C ATOM 821 CE LYS A 49 2.802 -41.127 15.835 1.00 0.00 C ATOM 822 NZ LYS A 49 2.521 -42.215 14.858 1.00 0.00 N ATOM 0 H LYS A 49 2.203 -40.941 20.770 1.00 0.00 H new ATOM 0 HA LYS A 49 3.554 -43.085 19.339 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.419 -40.271 20.135 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.362 -41.358 19.135 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.652 -40.152 18.451 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.194 -39.745 17.724 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.381 -42.128 16.898 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.780 -42.441 17.537 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.876 -40.601 16.069 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.477 -40.399 15.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.914 -41.958 13.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.960 -43.099 15.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.493 -42.349 14.774 1.00 0.00 H new ATOM 836 N ASN A 50 4.850 -41.952 22.171 1.00 0.00 N ATOM 837 CA ASN A 50 5.794 -42.315 23.229 1.00 0.00 C ATOM 838 C ASN A 50 5.487 -41.578 24.529 1.00 0.00 C ATOM 839 O ASN A 50 5.091 -40.410 24.518 1.00 0.00 O ATOM 840 CB ASN A 50 7.234 -42.009 22.778 1.00 0.00 C ATOM 841 CG ASN A 50 8.278 -42.330 23.842 1.00 0.00 C ATOM 842 OD1 ASN A 50 8.767 -43.457 23.932 1.00 0.00 O ATOM 843 ND2 ASN A 50 8.640 -41.339 24.643 1.00 0.00 N ATOM 0 H ASN A 50 4.487 -41.001 22.234 1.00 0.00 H new ATOM 0 HA ASN A 50 5.692 -43.384 23.417 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.455 -42.581 21.877 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.308 -40.955 22.512 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.345 -41.497 25.363 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.214 -40.418 24.540 1.00 0.00 H new ATOM 850 N THR A 51 5.661 -42.276 25.643 1.00 0.00 N ATOM 851 CA THR A 51 5.533 -41.685 26.966 1.00 0.00 C ATOM 852 C THR A 51 6.926 -41.391 27.523 1.00 0.00 C ATOM 853 O THR A 51 7.879 -42.123 27.236 1.00 0.00 O ATOM 854 CB THR A 51 4.763 -42.624 27.930 1.00 0.00 C ATOM 855 OG1 THR A 51 4.591 -41.999 29.211 1.00 0.00 O ATOM 856 CG2 THR A 51 5.490 -43.954 28.106 1.00 0.00 C ATOM 0 H THR A 51 5.895 -43.269 25.654 1.00 0.00 H new ATOM 0 HA THR A 51 4.965 -40.759 26.879 1.00 0.00 H new ATOM 0 HB THR A 51 3.786 -42.818 27.488 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.656 -41.724 29.318 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.925 -44.590 28.787 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.582 -44.449 27.139 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.483 -43.774 28.517 1.00 0.00 H new ATOM 864 N SER A 52 7.050 -40.309 28.284 1.00 0.00 N ATOM 865 CA SER A 52 8.325 -39.929 28.881 1.00 0.00 C ATOM 866 C SER A 52 8.887 -41.056 29.747 1.00 0.00 C ATOM 867 O SER A 52 8.143 -41.922 30.210 1.00 0.00 O ATOM 868 CB SER A 52 8.153 -38.655 29.709 1.00 0.00 C ATOM 869 OG SER A 52 7.642 -37.604 28.910 1.00 0.00 O ATOM 0 H SER A 52 6.280 -39.677 28.503 1.00 0.00 H new ATOM 0 HA SER A 52 9.037 -39.739 28.078 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.478 -38.846 30.543 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.112 -38.361 30.136 1.00 0.00 H new ATOM 0 HG SER A 52 8.192 -36.802 29.033 1.00 0.00 H new ATOM 875 N LYS A 53 10.197 -41.027 29.967 1.00 0.00 N ATOM 876 CA LYS A 53 10.891 -42.080 30.706 1.00 0.00 C ATOM 877 C LYS A 53 10.267 -42.299 32.090 1.00 0.00 C ATOM 878 O LYS A 53 10.130 -43.436 32.545 1.00 0.00 O ATOM 879 CB LYS A 53 12.378 -41.727 30.838 1.00 0.00 C ATOM 880 CG LYS A 53 13.241 -42.851 31.407 1.00 0.00 C ATOM 881 CD LYS A 53 14.710 -42.443 31.501 1.00 0.00 C ATOM 882 CE LYS A 53 15.292 -42.068 30.141 1.00 0.00 C ATOM 883 NZ LYS A 53 15.285 -43.208 29.184 1.00 0.00 N ATOM 0 H LYS A 53 10.807 -40.277 29.641 1.00 0.00 H new ATOM 0 HA LYS A 53 10.790 -43.012 30.149 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.763 -41.450 29.856 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.476 -40.850 31.477 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.875 -43.125 32.397 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.149 -43.735 30.777 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.808 -41.597 32.182 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.287 -43.264 31.927 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.720 -41.241 29.720 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.315 -41.714 30.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.781 -42.933 28.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.766 -44.024 29.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.303 -43.465 28.957 1.00 0.00 H new ATOM 897 N ASN A 54 9.879 -41.205 32.746 1.00 0.00 N ATOM 898 CA ASN A 54 9.270 -41.275 34.082 1.00 0.00 C ATOM 899 C ASN A 54 7.745 -41.167 33.985 1.00 0.00 C ATOM 900 O ASN A 54 7.061 -40.910 34.978 1.00 0.00 O ATOM 901 CB ASN A 54 9.827 -40.158 34.981 1.00 0.00 C ATOM 902 CG ASN A 54 9.508 -40.367 36.456 1.00 0.00 C ATOM 903 OD1 ASN A 54 9.432 -41.500 36.934 1.00 0.00 O ATOM 904 ND2 ASN A 54 9.322 -39.278 37.187 1.00 0.00 N ATOM 0 H ASN A 54 9.974 -40.259 32.377 1.00 0.00 H new ATOM 0 HA ASN A 54 9.520 -42.239 34.525 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.908 -40.101 34.853 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.417 -39.201 34.658 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.108 -39.361 38.181 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.393 -38.356 36.756 1.00 0.00 H new ATOM 911 N ALA A 55 7.225 -41.360 32.772 1.00 0.00 N ATOM 912 CA ALA A 55 5.782 -41.347 32.509 1.00 0.00 C ATOM 913 C ALA A 55 5.138 -39.996 32.843 1.00 0.00 C ATOM 914 O ALA A 55 3.917 -39.903 32.976 1.00 0.00 O ATOM 915 CB ALA A 55 5.090 -42.476 33.274 1.00 0.00 C ATOM 0 H ALA A 55 7.792 -41.530 31.942 1.00 0.00 H new ATOM 0 HA ALA A 55 5.649 -41.507 31.439 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.020 -42.452 33.068 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.500 -43.435 32.957 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.257 -42.346 34.343 1.00 0.00 H new ATOM 921 N LYS A 56 5.956 -38.950 32.954 1.00 0.00 N ATOM 922 CA LYS A 56 5.459 -37.610 33.279 1.00 0.00 C ATOM 923 C LYS A 56 4.612 -37.046 32.137 1.00 0.00 C ATOM 924 O LYS A 56 3.496 -36.572 32.356 1.00 0.00 O ATOM 925 CB LYS A 56 6.632 -36.666 33.591 1.00 0.00 C ATOM 926 CG LYS A 56 6.240 -35.194 33.754 1.00 0.00 C ATOM 927 CD LYS A 56 5.220 -34.971 34.873 1.00 0.00 C ATOM 928 CE LYS A 56 5.768 -35.361 36.240 1.00 0.00 C ATOM 929 NZ LYS A 56 4.785 -35.106 37.324 1.00 0.00 N ATOM 0 H LYS A 56 6.966 -39.003 32.824 1.00 0.00 H new ATOM 0 HA LYS A 56 4.826 -37.689 34.163 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.118 -37.002 34.507 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.368 -36.746 32.791 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.134 -34.606 33.961 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.827 -34.827 32.814 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.924 -33.922 34.888 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.322 -35.553 34.664 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.037 -36.417 36.235 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.681 -34.800 36.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.196 -35.384 38.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.547 -34.094 37.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.923 -35.661 37.149 1.00 0.00 H new ATOM 943 N PHE A 57 5.140 -37.107 30.919 1.00 0.00 N ATOM 944 CA PHE A 57 4.436 -36.581 29.753 1.00 0.00 C ATOM 945 C PHE A 57 4.037 -37.717 28.822 1.00 0.00 C ATOM 946 O PHE A 57 4.682 -38.772 28.789 1.00 0.00 O ATOM 947 CB PHE A 57 5.310 -35.567 28.997 1.00 0.00 C ATOM 948 CG PHE A 57 5.769 -34.403 29.840 1.00 0.00 C ATOM 949 CD1 PHE A 57 4.869 -33.434 30.260 1.00 0.00 C ATOM 950 CD2 PHE A 57 7.101 -34.280 30.213 1.00 0.00 C ATOM 951 CE1 PHE A 57 5.287 -32.367 31.033 1.00 0.00 C ATOM 952 CE2 PHE A 57 7.524 -33.214 30.985 1.00 0.00 C ATOM 953 CZ PHE A 57 6.617 -32.256 31.395 1.00 0.00 C ATOM 0 H PHE A 57 6.052 -37.515 30.713 1.00 0.00 H new ATOM 0 HA PHE A 57 3.537 -36.071 30.100 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.185 -36.082 28.600 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.750 -35.185 28.143 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.829 -33.514 29.980 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.815 -35.026 29.896 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.575 -31.621 31.354 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.563 -33.130 31.267 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.946 -31.422 31.997 1.00 0.00 H new ATOM 963 N TYR A 58 2.958 -37.505 28.085 1.00 0.00 N ATOM 964 CA TYR A 58 2.466 -38.479 27.124 1.00 0.00 C ATOM 965 C TYR A 58 2.338 -37.813 25.758 1.00 0.00 C ATOM 966 O TYR A 58 1.569 -36.862 25.592 1.00 0.00 O ATOM 967 CB TYR A 58 1.117 -39.040 27.593 1.00 0.00 C ATOM 968 CG TYR A 58 1.161 -39.609 29.004 1.00 0.00 C ATOM 969 CD1 TYR A 58 1.685 -40.873 29.253 1.00 0.00 C ATOM 970 CD2 TYR A 58 0.686 -38.875 30.087 1.00 0.00 C ATOM 971 CE1 TYR A 58 1.732 -41.387 30.537 1.00 0.00 C ATOM 972 CE2 TYR A 58 0.729 -39.384 31.371 1.00 0.00 C ATOM 973 CZ TYR A 58 1.252 -40.639 31.591 1.00 0.00 C ATOM 974 OH TYR A 58 1.298 -41.148 32.872 1.00 0.00 O ATOM 0 H TYR A 58 2.399 -36.653 28.136 1.00 0.00 H new ATOM 0 HA TYR A 58 3.167 -39.310 27.044 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.368 -38.249 27.550 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.796 -39.821 26.903 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.061 -41.463 28.431 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.276 -37.890 29.921 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.143 -42.370 30.713 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.354 -38.800 32.199 1.00 0.00 H new ATOM 0 HH TYR A 58 2.150 -40.904 33.291 1.00 0.00 H new ATOM 984 N SER A 59 3.111 -38.301 24.793 1.00 0.00 N ATOM 985 CA SER A 59 3.183 -37.679 23.478 1.00 0.00 C ATOM 986 C SER A 59 2.141 -38.269 22.529 1.00 0.00 C ATOM 987 O SER A 59 2.223 -39.440 22.138 1.00 0.00 O ATOM 988 CB SER A 59 4.590 -37.856 22.896 1.00 0.00 C ATOM 989 OG SER A 59 5.578 -37.399 23.809 1.00 0.00 O ATOM 0 H SER A 59 3.698 -39.128 24.899 1.00 0.00 H new ATOM 0 HA SER A 59 2.970 -36.616 23.590 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.762 -38.907 22.664 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.672 -37.305 21.959 1.00 0.00 H new ATOM 0 HG SER A 59 6.468 -37.523 23.417 1.00 0.00 H new ATOM 995 N PHE A 60 1.166 -37.444 22.168 1.00 0.00 N ATOM 996 CA PHE A 60 0.145 -37.812 21.195 1.00 0.00 C ATOM 997 C PHE A 60 0.405 -37.105 19.869 1.00 0.00 C ATOM 998 O PHE A 60 1.186 -36.150 19.799 1.00 0.00 O ATOM 999 CB PHE A 60 -1.258 -37.439 21.702 1.00 0.00 C ATOM 1000 CG PHE A 60 -1.683 -38.175 22.948 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -1.414 -37.655 24.207 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -2.362 -39.383 22.859 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -1.811 -38.325 25.347 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -2.759 -40.057 23.998 1.00 0.00 C ATOM 1005 CZ PHE A 60 -2.485 -39.527 25.242 1.00 0.00 C ATOM 0 H PHE A 60 1.061 -36.501 22.542 1.00 0.00 H new ATOM 0 HA PHE A 60 0.192 -38.891 21.051 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.287 -36.367 21.899 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.982 -37.638 20.912 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.888 -36.716 24.296 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.582 -39.801 21.888 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.595 -37.910 26.320 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.283 -40.998 23.915 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.797 -40.051 26.133 1.00 0.00 H new ATOM 1015 N ASN A 61 -0.261 -37.577 18.829 1.00 0.00 N ATOM 1016 CA ASN A 61 -0.177 -36.980 17.505 1.00 0.00 C ATOM 1017 C ASN A 61 -1.542 -37.040 16.840 1.00 0.00 C ATOM 1018 O ASN A 61 -2.118 -38.120 16.689 1.00 0.00 O ATOM 1019 CB ASN A 61 0.857 -37.713 16.638 1.00 0.00 C ATOM 1020 CG ASN A 61 0.846 -37.238 15.189 1.00 0.00 C ATOM 1021 OD1 ASN A 61 1.607 -36.350 14.805 1.00 0.00 O ATOM 1022 ND2 ASN A 61 -0.026 -37.825 14.376 1.00 0.00 N ATOM 0 H ASN A 61 -0.878 -38.388 18.878 1.00 0.00 H new ATOM 0 HA ASN A 61 0.139 -35.942 17.608 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.851 -37.563 17.059 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.657 -38.784 16.667 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.081 -37.543 13.397 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.641 -38.558 14.731 1.00 0.00 H new ATOM 1029 N VAL A 62 -2.058 -35.884 16.459 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.329 -35.802 15.759 1.00 0.00 C ATOM 1031 C VAL A 62 -3.089 -35.455 14.297 1.00 0.00 C ATOM 1032 O VAL A 62 -2.518 -34.412 13.986 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.259 -34.734 16.393 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -5.572 -34.617 15.615 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.524 -35.054 17.864 1.00 0.00 C ATOM 0 H VAL A 62 -1.612 -34.982 16.624 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.818 -36.773 15.839 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.752 -33.770 16.340 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.205 -33.862 16.081 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.360 -34.328 14.585 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.087 -35.578 15.624 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.178 -34.293 18.290 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.003 -36.030 17.944 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.580 -35.067 18.409 1.00 0.00 H new ATOM 1045 N SER A 63 -3.509 -36.341 13.407 1.00 0.00 N ATOM 1046 CA SER A 63 -3.430 -36.093 11.975 1.00 0.00 C ATOM 1047 C SER A 63 -4.842 -36.030 11.399 1.00 0.00 C ATOM 1048 O SER A 63 -5.553 -37.038 11.366 1.00 0.00 O ATOM 1049 CB SER A 63 -2.607 -37.191 11.289 1.00 0.00 C ATOM 1050 OG SER A 63 -1.293 -37.259 11.829 1.00 0.00 O ATOM 0 H SER A 63 -3.911 -37.245 13.654 1.00 0.00 H new ATOM 0 HA SER A 63 -2.931 -35.141 11.795 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.104 -38.153 11.412 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.554 -36.994 10.218 1.00 0.00 H new ATOM 0 HG SER A 63 -1.026 -36.373 12.152 1.00 0.00 H new ATOM 1056 N MET A 64 -5.253 -34.838 10.980 1.00 0.00 N ATOM 1057 CA MET A 64 -6.606 -34.619 10.479 1.00 0.00 C ATOM 1058 C MET A 64 -6.588 -33.629 9.324 1.00 0.00 C ATOM 1059 O MET A 64 -5.639 -32.859 9.174 1.00 0.00 O ATOM 1060 CB MET A 64 -7.509 -34.086 11.603 1.00 0.00 C ATOM 1061 CG MET A 64 -7.108 -32.703 12.110 1.00 0.00 C ATOM 1062 SD MET A 64 -8.149 -32.123 13.466 1.00 0.00 S ATOM 1063 CE MET A 64 -9.770 -32.158 12.706 1.00 0.00 C ATOM 0 H MET A 64 -4.665 -34.004 10.977 1.00 0.00 H new ATOM 0 HA MET A 64 -7.001 -35.571 10.125 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.537 -34.047 11.243 1.00 0.00 H new ATOM 0 HB3 MET A 64 -7.489 -34.788 12.436 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.070 -32.730 12.441 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.161 -31.990 11.287 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.324 -31.263 12.990 1.00 0.00 H new ATOM 0 HE2 MET A 64 -9.663 -32.190 11.622 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.311 -33.042 13.043 1.00 0.00 H new ATOM 1073 N GLU A 65 -7.634 -33.654 8.509 1.00 0.00 N ATOM 1074 CA GLU A 65 -7.763 -32.715 7.400 1.00 0.00 C ATOM 1075 C GLU A 65 -8.181 -31.341 7.911 1.00 0.00 C ATOM 1076 O GLU A 65 -9.011 -31.234 8.812 1.00 0.00 O ATOM 1077 CB GLU A 65 -8.798 -33.210 6.383 1.00 0.00 C ATOM 1078 CG GLU A 65 -8.422 -34.510 5.688 1.00 0.00 C ATOM 1079 CD GLU A 65 -9.484 -34.962 4.701 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -9.437 -34.533 3.527 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -10.385 -35.730 5.102 1.00 0.00 O ATOM 0 H GLU A 65 -8.407 -34.314 8.594 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.791 -32.641 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.753 -33.346 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.946 -32.438 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.475 -34.379 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.269 -35.288 6.436 1.00 0.00 H new ATOM 1088 N VAL A 66 -7.589 -30.299 7.348 1.00 0.00 N ATOM 1089 CA VAL A 66 -8.032 -28.933 7.587 1.00 0.00 C ATOM 1090 C VAL A 66 -8.397 -28.293 6.253 1.00 0.00 C ATOM 1091 O VAL A 66 -7.606 -28.324 5.307 1.00 0.00 O ATOM 1092 CB VAL A 66 -6.952 -28.088 8.317 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -6.737 -28.608 9.738 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -5.634 -28.088 7.540 1.00 0.00 C ATOM 0 H VAL A 66 -6.792 -30.375 6.716 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.904 -28.962 8.240 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.309 -27.060 8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.977 -28.005 10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.672 -28.544 10.294 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.408 -29.646 9.700 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.897 -27.489 8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.269 -29.110 7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.796 -27.665 6.549 1.00 0.00 H new ATOM 1104 N SER A 67 -9.600 -27.742 6.171 1.00 0.00 N ATOM 1105 CA SER A 67 -10.108 -27.191 4.921 1.00 0.00 C ATOM 1106 C SER A 67 -9.578 -25.777 4.701 1.00 0.00 C ATOM 1107 O SER A 67 -9.362 -25.355 3.561 1.00 0.00 O ATOM 1108 CB SER A 67 -11.646 -27.202 4.927 1.00 0.00 C ATOM 1109 OG SER A 67 -12.179 -26.761 3.687 1.00 0.00 O ATOM 0 H SER A 67 -10.245 -27.664 6.958 1.00 0.00 H new ATOM 0 HA SER A 67 -9.759 -27.813 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.002 -28.210 5.138 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.011 -26.561 5.729 1.00 0.00 H new ATOM 0 HG SER A 67 -13.158 -26.782 3.726 1.00 0.00 H new ATOM 1115 N ASN A 68 -9.347 -25.048 5.792 1.00 0.00 N ATOM 1116 CA ASN A 68 -8.866 -23.674 5.694 1.00 0.00 C ATOM 1117 C ASN A 68 -8.005 -23.279 6.894 1.00 0.00 C ATOM 1118 O ASN A 68 -7.834 -24.045 7.847 1.00 0.00 O ATOM 1119 CB ASN A 68 -10.042 -22.694 5.558 1.00 0.00 C ATOM 1120 CG ASN A 68 -10.948 -22.698 6.774 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -10.714 -21.972 7.740 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -11.989 -23.506 6.729 1.00 0.00 N ATOM 0 H ASN A 68 -9.484 -25.384 6.745 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.244 -23.621 4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.655 -21.687 5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.625 -22.952 4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.638 -23.546 7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.145 -24.091 5.908 1.00 0.00 H new ATOM 1129 N GLU A 69 -7.494 -22.057 6.819 1.00 0.00 N ATOM 1130 CA GLU A 69 -6.599 -21.478 7.821 1.00 0.00 C ATOM 1131 C GLU A 69 -7.267 -21.393 9.195 1.00 0.00 C ATOM 1132 O GLU A 69 -6.669 -21.757 10.211 1.00 0.00 O ATOM 1133 CB GLU A 69 -6.192 -20.072 7.344 1.00 0.00 C ATOM 1134 CG GLU A 69 -5.358 -19.260 8.334 1.00 0.00 C ATOM 1135 CD GLU A 69 -3.932 -19.759 8.491 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -3.462 -20.542 7.637 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -3.265 -19.351 9.462 1.00 0.00 O ATOM 0 H GLU A 69 -7.693 -21.424 6.044 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.723 -22.118 7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.629 -20.171 6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.096 -19.510 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.335 -18.220 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.848 -19.278 9.307 1.00 0.00 H new ATOM 1144 N SER A 70 -8.510 -20.922 9.216 1.00 0.00 N ATOM 1145 CA SER A 70 -9.222 -20.677 10.467 1.00 0.00 C ATOM 1146 C SER A 70 -9.313 -21.951 11.306 1.00 0.00 C ATOM 1147 O SER A 70 -9.120 -21.918 12.524 1.00 0.00 O ATOM 1148 CB SER A 70 -10.622 -20.129 10.173 1.00 0.00 C ATOM 1149 OG SER A 70 -10.552 -19.002 9.314 1.00 0.00 O ATOM 0 H SER A 70 -9.047 -20.701 8.378 1.00 0.00 H new ATOM 0 HA SER A 70 -8.664 -19.937 11.041 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.232 -20.906 9.712 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.112 -19.851 11.106 1.00 0.00 H new ATOM 0 HG SER A 70 -11.456 -18.669 9.137 1.00 0.00 H new ATOM 1155 N GLU A 71 -9.579 -23.075 10.645 1.00 0.00 N ATOM 1156 CA GLU A 71 -9.737 -24.347 11.341 1.00 0.00 C ATOM 1157 C GLU A 71 -8.441 -24.781 12.011 1.00 0.00 C ATOM 1158 O GLU A 71 -8.430 -25.060 13.204 1.00 0.00 O ATOM 1159 CB GLU A 71 -10.213 -25.447 10.389 1.00 0.00 C ATOM 1160 CG GLU A 71 -11.598 -25.204 9.811 1.00 0.00 C ATOM 1161 CD GLU A 71 -12.111 -26.393 9.018 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -11.511 -26.714 7.975 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -13.115 -27.013 9.440 1.00 0.00 O ATOM 0 H GLU A 71 -9.689 -23.130 9.632 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.494 -24.193 12.110 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.499 -25.539 9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.214 -26.399 10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.293 -24.984 10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.571 -24.325 9.167 1.00 0.00 H new ATOM 1170 N ARG A 72 -7.346 -24.816 11.250 1.00 0.00 N ATOM 1171 CA ARG A 72 -6.082 -25.356 11.762 1.00 0.00 C ATOM 1172 C ARG A 72 -5.651 -24.627 13.040 1.00 0.00 C ATOM 1173 O ARG A 72 -5.097 -25.232 13.960 1.00 0.00 O ATOM 1174 CB ARG A 72 -4.969 -25.283 10.699 1.00 0.00 C ATOM 1175 CG ARG A 72 -4.452 -23.880 10.407 1.00 0.00 C ATOM 1176 CD ARG A 72 -3.127 -23.920 9.654 1.00 0.00 C ATOM 1177 NE ARG A 72 -2.602 -22.578 9.408 1.00 0.00 N ATOM 1178 CZ ARG A 72 -1.383 -22.163 9.754 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -0.537 -22.982 10.368 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -1.018 -20.918 9.489 1.00 0.00 N ATOM 0 H ARG A 72 -7.306 -24.481 10.287 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.249 -26.406 12.004 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.133 -25.902 11.026 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.343 -25.717 9.772 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.190 -23.334 9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.324 -23.336 11.343 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.400 -24.495 10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.264 -24.437 8.704 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.213 -21.910 8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.817 -23.940 10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.393 -22.653 10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.668 -20.284 9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.087 -20.593 9.750 1.00 0.00 H new ATOM 1194 N ASN A 73 -5.938 -23.329 13.100 1.00 0.00 N ATOM 1195 CA ASN A 73 -5.576 -22.514 14.257 1.00 0.00 C ATOM 1196 C ASN A 73 -6.600 -22.682 15.376 1.00 0.00 C ATOM 1197 O ASN A 73 -6.243 -22.726 16.555 1.00 0.00 O ATOM 1198 CB ASN A 73 -5.455 -21.037 13.857 1.00 0.00 C ATOM 1199 CG ASN A 73 -4.376 -20.806 12.811 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -3.375 -21.521 12.761 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -4.569 -19.806 11.968 1.00 0.00 N ATOM 0 H ASN A 73 -6.421 -22.819 12.360 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.608 -22.853 14.625 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.413 -20.689 13.470 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.233 -20.441 14.742 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.876 -19.606 11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.411 -19.234 12.039 1.00 0.00 H new ATOM 1208 N GLU A 74 -7.873 -22.791 15.000 1.00 0.00 N ATOM 1209 CA GLU A 74 -8.949 -22.993 15.969 1.00 0.00 C ATOM 1210 C GLU A 74 -8.755 -24.312 16.708 1.00 0.00 C ATOM 1211 O GLU A 74 -8.840 -24.368 17.934 1.00 0.00 O ATOM 1212 CB GLU A 74 -10.318 -22.968 15.271 1.00 0.00 C ATOM 1213 CG GLU A 74 -11.476 -23.376 16.177 1.00 0.00 C ATOM 1214 CD GLU A 74 -12.840 -23.104 15.564 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -13.192 -21.915 15.399 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -13.573 -24.069 15.271 1.00 0.00 O ATOM 0 H GLU A 74 -8.185 -22.743 14.030 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.917 -22.179 16.693 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.503 -21.964 14.890 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.289 -23.636 14.410 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.393 -24.438 16.406 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.396 -22.839 17.122 1.00 0.00 H new ATOM 1223 N ILE A 75 -8.478 -25.363 15.945 1.00 0.00 N ATOM 1224 CA ILE A 75 -8.241 -26.693 16.493 1.00 0.00 C ATOM 1225 C ILE A 75 -7.056 -26.668 17.455 1.00 0.00 C ATOM 1226 O ILE A 75 -7.097 -27.280 18.522 1.00 0.00 O ATOM 1227 CB ILE A 75 -7.985 -27.715 15.355 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -9.199 -27.752 14.410 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -7.689 -29.106 15.922 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -8.965 -28.511 13.123 1.00 0.00 C ATOM 0 H ILE A 75 -8.411 -25.317 14.928 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.131 -27.001 17.041 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.108 -27.400 14.790 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.040 -28.203 14.936 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.487 -26.729 14.167 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.513 -29.803 15.103 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.803 -29.060 16.555 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.540 -29.447 16.512 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.871 -28.487 12.517 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.147 -28.048 12.571 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.709 -29.545 13.352 1.00 0.00 H new ATOM 1242 N PHE A 76 -6.015 -25.929 17.077 1.00 0.00 N ATOM 1243 CA PHE A 76 -4.843 -25.745 17.930 1.00 0.00 C ATOM 1244 C PHE A 76 -5.263 -25.157 19.280 1.00 0.00 C ATOM 1245 O PHE A 76 -4.822 -25.612 20.340 1.00 0.00 O ATOM 1246 CB PHE A 76 -3.830 -24.825 17.231 1.00 0.00 C ATOM 1247 CG PHE A 76 -2.558 -24.592 18.012 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -1.504 -25.493 17.933 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -2.415 -23.471 18.820 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -0.337 -25.280 18.643 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -1.251 -23.254 19.531 1.00 0.00 C ATOM 1252 CZ PHE A 76 -0.210 -24.160 19.443 1.00 0.00 C ATOM 0 H PHE A 76 -5.960 -25.446 16.181 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.372 -26.712 18.107 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.574 -25.255 16.263 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.304 -23.863 17.037 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.597 -26.370 17.310 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.225 -22.760 18.893 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.475 -25.988 18.573 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.154 -22.378 20.155 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.701 -23.993 19.999 1.00 0.00 H new ATOM 1262 N GLN A 77 -6.137 -24.153 19.226 1.00 0.00 N ATOM 1263 CA GLN A 77 -6.660 -23.510 20.431 1.00 0.00 C ATOM 1264 C GLN A 77 -7.510 -24.492 21.237 1.00 0.00 C ATOM 1265 O GLN A 77 -7.397 -24.565 22.463 1.00 0.00 O ATOM 1266 CB GLN A 77 -7.493 -22.277 20.057 1.00 0.00 C ATOM 1267 CG GLN A 77 -6.703 -21.197 19.326 1.00 0.00 C ATOM 1268 CD GLN A 77 -7.567 -20.018 18.910 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -8.140 -20.005 17.819 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -7.667 -19.016 19.771 1.00 0.00 N ATOM 0 H GLN A 77 -6.500 -23.765 18.355 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.817 -23.193 21.045 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.327 -22.591 19.430 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.920 -21.850 20.965 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.898 -20.843 19.970 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.236 -21.630 18.441 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.178 -19.061 20.665 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.233 -18.199 19.540 1.00 0.00 H new ATOM 1279 N LYS A 78 -8.347 -25.255 20.534 1.00 0.00 N ATOM 1280 CA LYS A 78 -9.203 -26.263 21.161 1.00 0.00 C ATOM 1281 C LYS A 78 -8.364 -27.242 21.978 1.00 0.00 C ATOM 1282 O LYS A 78 -8.694 -27.564 23.121 1.00 0.00 O ATOM 1283 CB LYS A 78 -9.993 -27.030 20.090 1.00 0.00 C ATOM 1284 CG LYS A 78 -10.998 -26.181 19.316 1.00 0.00 C ATOM 1285 CD LYS A 78 -12.192 -25.782 20.179 1.00 0.00 C ATOM 1286 CE LYS A 78 -13.205 -24.953 19.398 1.00 0.00 C ATOM 1287 NZ LYS A 78 -14.441 -24.708 20.186 1.00 0.00 N ATOM 0 H LYS A 78 -8.451 -25.193 19.521 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.901 -25.754 21.826 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.289 -27.471 19.384 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.524 -27.853 20.568 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.504 -25.284 18.943 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.349 -26.737 18.446 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.677 -26.679 20.565 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.843 -25.212 21.040 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.757 -23.999 19.119 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.460 -25.468 18.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.106 -24.141 19.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.882 -25.617 20.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.201 -24.194 21.058 1.00 0.00 H new ATOM 1301 N ILE A 79 -7.265 -27.691 21.383 1.00 0.00 N ATOM 1302 CA ILE A 79 -6.353 -28.635 22.029 1.00 0.00 C ATOM 1303 C ILE A 79 -5.745 -28.020 23.293 1.00 0.00 C ATOM 1304 O ILE A 79 -5.398 -28.721 24.243 1.00 0.00 O ATOM 1305 CB ILE A 79 -5.224 -29.082 21.061 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -5.826 -29.754 19.813 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -4.247 -30.027 21.764 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -4.799 -30.142 18.768 1.00 0.00 C ATOM 0 H ILE A 79 -6.980 -27.414 20.444 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.933 -29.515 22.307 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.670 -28.197 20.747 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.372 -30.646 20.120 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.551 -29.077 19.362 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.465 -30.327 21.066 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.797 -29.517 22.616 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.782 -30.911 22.111 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.301 -30.609 17.921 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.269 -29.251 18.430 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.087 -30.845 19.201 1.00 0.00 H new ATOM 1320 N SER A 80 -5.618 -26.701 23.295 1.00 0.00 N ATOM 1321 CA SER A 80 -5.056 -25.983 24.431 1.00 0.00 C ATOM 1322 C SER A 80 -6.079 -25.872 25.571 1.00 0.00 C ATOM 1323 O SER A 80 -5.719 -25.621 26.724 1.00 0.00 O ATOM 1324 CB SER A 80 -4.597 -24.592 23.981 1.00 0.00 C ATOM 1325 OG SER A 80 -3.863 -23.927 24.997 1.00 0.00 O ATOM 0 H SER A 80 -5.898 -26.103 22.518 1.00 0.00 H new ATOM 0 HA SER A 80 -4.198 -26.539 24.809 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.980 -24.684 23.087 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.466 -23.993 23.708 1.00 0.00 H new ATOM 0 HG SER A 80 -3.585 -23.044 24.675 1.00 0.00 H new ATOM 1331 N GLN A 81 -7.354 -26.093 25.247 1.00 0.00 N ATOM 1332 CA GLN A 81 -8.447 -25.898 26.203 1.00 0.00 C ATOM 1333 C GLN A 81 -8.683 -27.137 27.075 1.00 0.00 C ATOM 1334 O GLN A 81 -9.555 -27.128 27.948 1.00 0.00 O ATOM 1335 CB GLN A 81 -9.743 -25.531 25.461 1.00 0.00 C ATOM 1336 CG GLN A 81 -9.653 -24.227 24.673 1.00 0.00 C ATOM 1337 CD GLN A 81 -10.943 -23.874 23.944 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -11.259 -22.699 23.751 1.00 0.00 O ATOM 1339 NE2 GLN A 81 -11.693 -24.882 23.520 1.00 0.00 N ATOM 0 H GLN A 81 -7.657 -26.409 24.326 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.155 -25.080 26.862 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.001 -26.340 24.778 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.555 -25.453 26.184 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.395 -23.416 25.354 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.843 -24.304 23.948 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.402 -25.844 23.697 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.561 -24.696 23.017 1.00 0.00 H new ATOM 1348 N LEU A 82 -7.906 -28.195 26.856 1.00 0.00 N ATOM 1349 CA LEU A 82 -8.107 -29.447 27.594 1.00 0.00 C ATOM 1350 C LEU A 82 -7.618 -29.316 29.034 1.00 0.00 C ATOM 1351 O LEU A 82 -7.952 -30.149 29.878 1.00 0.00 O ATOM 1352 CB LEU A 82 -7.386 -30.624 26.913 1.00 0.00 C ATOM 1353 CG LEU A 82 -7.397 -30.598 25.377 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -6.653 -31.798 24.800 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -8.822 -30.530 24.840 1.00 0.00 C ATOM 0 H LEU A 82 -7.140 -28.215 26.183 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.178 -29.649 27.596 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.350 -30.640 27.253 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.846 -31.554 27.248 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.875 -29.696 25.057 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.678 -31.752 23.711 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.618 -31.782 25.140 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.131 -32.718 25.135 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.800 -30.513 23.750 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.380 -31.403 25.178 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.306 -29.625 25.207 1.00 0.00 H new ATOM 1367 N ASP A 83 -6.795 -28.287 29.292 1.00 0.00 N ATOM 1368 CA ASP A 83 -6.211 -28.035 30.626 1.00 0.00 C ATOM 1369 C ASP A 83 -5.088 -29.030 30.951 1.00 0.00 C ATOM 1370 O ASP A 83 -4.159 -28.717 31.697 1.00 0.00 O ATOM 1371 CB ASP A 83 -7.300 -28.069 31.721 1.00 0.00 C ATOM 1372 CG ASP A 83 -6.732 -28.085 33.135 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -6.278 -27.025 33.614 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -6.755 -29.155 33.781 1.00 0.00 O ATOM 0 H ASP A 83 -6.514 -27.606 28.586 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.773 -27.037 30.605 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.948 -27.200 31.607 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.923 -28.952 31.577 1.00 0.00 H new ATOM 1379 N LYS A 84 -5.169 -30.216 30.363 1.00 0.00 N ATOM 1380 CA LYS A 84 -4.236 -31.306 30.637 1.00 0.00 C ATOM 1381 C LYS A 84 -3.023 -31.260 29.708 1.00 0.00 C ATOM 1382 O LYS A 84 -2.103 -32.073 29.829 1.00 0.00 O ATOM 1383 CB LYS A 84 -4.983 -32.622 30.466 1.00 0.00 C ATOM 1384 CG LYS A 84 -6.171 -32.745 31.409 1.00 0.00 C ATOM 1385 CD LYS A 84 -7.267 -33.622 30.832 1.00 0.00 C ATOM 1386 CE LYS A 84 -8.381 -33.855 31.840 1.00 0.00 C ATOM 1387 NZ LYS A 84 -7.892 -34.485 33.096 1.00 0.00 N ATOM 0 H LYS A 84 -5.887 -30.452 29.678 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.859 -31.207 31.655 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.330 -32.708 29.436 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.297 -33.451 30.641 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.837 -33.160 32.360 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.572 -31.753 31.618 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.676 -33.153 29.937 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.845 -34.579 30.526 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.857 -32.903 32.076 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.145 -34.491 31.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.700 -34.852 33.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.247 -35.267 32.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.387 -33.777 33.666 1.00 0.00 H new ATOM 1401 N VAL A 85 -3.033 -30.311 28.779 1.00 0.00 N ATOM 1402 CA VAL A 85 -1.969 -30.183 27.787 1.00 0.00 C ATOM 1403 C VAL A 85 -0.859 -29.267 28.300 1.00 0.00 C ATOM 1404 O VAL A 85 -1.120 -28.328 29.054 1.00 0.00 O ATOM 1405 CB VAL A 85 -2.524 -29.637 26.446 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -3.137 -28.251 26.634 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -1.437 -29.618 25.371 1.00 0.00 C ATOM 0 H VAL A 85 -3.772 -29.613 28.691 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.555 -31.176 27.614 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.314 -30.309 26.109 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.519 -27.890 25.679 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.954 -28.309 27.353 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.376 -27.564 27.004 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.852 -29.231 24.440 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.616 -28.979 25.695 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.067 -30.631 25.210 1.00 0.00 H new ATOM 1417 N VAL A 86 0.380 -29.554 27.906 1.00 0.00 N ATOM 1418 CA VAL A 86 1.530 -28.753 28.326 1.00 0.00 C ATOM 1419 C VAL A 86 2.291 -28.192 27.123 1.00 0.00 C ATOM 1420 O VAL A 86 2.994 -27.185 27.238 1.00 0.00 O ATOM 1421 CB VAL A 86 2.505 -29.578 29.207 1.00 0.00 C ATOM 1422 CG1 VAL A 86 1.811 -30.060 30.481 1.00 0.00 C ATOM 1423 CG2 VAL A 86 3.085 -30.756 28.424 1.00 0.00 C ATOM 0 H VAL A 86 0.614 -30.337 27.295 1.00 0.00 H new ATOM 0 HA VAL A 86 1.135 -27.924 28.914 1.00 0.00 H new ATOM 0 HB VAL A 86 3.330 -28.927 29.497 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.514 -30.636 31.083 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.463 -29.200 31.053 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.960 -30.688 30.217 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.765 -31.318 29.064 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.276 -31.407 28.094 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.628 -30.383 27.556 1.00 0.00 H new ATOM 1433 N GLN A 87 2.146 -28.840 25.969 1.00 0.00 N ATOM 1434 CA GLN A 87 2.889 -28.450 24.772 1.00 0.00 C ATOM 1435 C GLN A 87 2.213 -28.996 23.513 1.00 0.00 C ATOM 1436 O GLN A 87 1.760 -30.142 23.491 1.00 0.00 O ATOM 1437 CB GLN A 87 4.338 -28.959 24.872 1.00 0.00 C ATOM 1438 CG GLN A 87 5.215 -28.609 23.674 1.00 0.00 C ATOM 1439 CD GLN A 87 5.275 -27.116 23.395 1.00 0.00 C ATOM 1440 OE1 GLN A 87 4.475 -26.582 22.624 1.00 0.00 O ATOM 1441 NE2 GLN A 87 6.221 -26.434 24.018 1.00 0.00 N ATOM 0 H GLN A 87 1.522 -29.636 25.837 1.00 0.00 H new ATOM 0 HA GLN A 87 2.899 -27.362 24.703 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.793 -28.547 25.772 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.322 -30.042 24.990 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.225 -28.981 23.849 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.835 -29.123 22.791 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.864 -26.913 24.649 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.308 -25.429 23.868 1.00 0.00 H new ATOM 1450 N THR A 88 2.146 -28.163 22.474 1.00 0.00 N ATOM 1451 CA THR A 88 1.537 -28.542 21.201 1.00 0.00 C ATOM 1452 C THR A 88 2.331 -27.967 20.025 1.00 0.00 C ATOM 1453 O THR A 88 2.424 -26.748 19.866 1.00 0.00 O ATOM 1454 CB THR A 88 0.066 -28.060 21.113 1.00 0.00 C ATOM 1455 OG1 THR A 88 -0.036 -26.706 21.575 1.00 0.00 O ATOM 1456 CG2 THR A 88 -0.863 -28.950 21.929 1.00 0.00 C ATOM 0 H THR A 88 2.511 -27.211 22.492 1.00 0.00 H new ATOM 0 HA THR A 88 1.552 -29.631 21.148 1.00 0.00 H new ATOM 0 HB THR A 88 -0.240 -28.116 20.068 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.119 -26.103 20.807 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.886 -28.583 21.844 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.812 -29.972 21.552 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.557 -28.933 22.975 1.00 0.00 H new ATOM 1464 N LEU A 89 2.911 -28.846 19.211 1.00 0.00 N ATOM 1465 CA LEU A 89 3.670 -28.429 18.032 1.00 0.00 C ATOM 1466 C LEU A 89 2.846 -28.682 16.772 1.00 0.00 C ATOM 1467 O LEU A 89 2.521 -29.828 16.460 1.00 0.00 O ATOM 1468 CB LEU A 89 5.013 -29.182 17.933 1.00 0.00 C ATOM 1469 CG LEU A 89 6.010 -28.951 19.088 1.00 0.00 C ATOM 1470 CD1 LEU A 89 5.551 -29.650 20.365 1.00 0.00 C ATOM 1471 CD2 LEU A 89 7.411 -29.419 18.693 1.00 0.00 C ATOM 0 H LEU A 89 2.870 -29.856 19.346 1.00 0.00 H new ATOM 0 HA LEU A 89 3.883 -27.364 18.127 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.803 -30.250 17.870 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.498 -28.897 16.999 1.00 0.00 H new ATOM 0 HG LEU A 89 6.046 -27.880 19.288 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.275 -29.468 21.160 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.578 -29.260 20.664 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.472 -30.722 20.185 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.099 -29.247 19.521 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.386 -30.483 18.456 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.748 -28.861 17.820 1.00 0.00 H new