USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=25 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 45 LYS NZ :NH3+ -132:sc= -0.534 (180deg=-1.89!) USER MOD Set 1.2: A 63 SER OG : rot 31:sc= -2.53! USER MOD Set 2.1: A 31 SER OG : rot -120:sc= 0.537 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 15 TYR OH : rot 54:sc= -0.484 USER MOD Single : A 17 CYS SG : rot -69:sc= -0.421 USER MOD Single : A 21 TYR OH : rot -75:sc= -2.73! USER MOD Single : A 25 MET CE :methyl -171:sc=-0.00802 (180deg=-0.152) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0.373 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc=-0.00516 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -34:sc= 1.25 USER MOD Single : A 40 TYR OH : rot -100:sc= -0.95 USER MOD Single : A 41 GLN : amide:sc= 0.995 K(o=1,f=-0.072) USER MOD Single : A 49 LYS NZ :NH3+ -139:sc= 1.26 (180deg=0.125) USER MOD Single : A 50 ASN : amide:sc= -0.424 K(o=-0.42,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 103:sc= -2.06! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.0536 (180deg=-0.342) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 97:sc= 0.0473 USER MOD Single : A 59 SER OG : rot -71:sc= 1.36 USER MOD Single : A 61 ASN : amide:sc= 0.959 K(o=0.96,f=-2.3!) USER MOD Single : A 64 MET CE :methyl -172:sc= -1.87! (180deg=-1.93) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.36 K(o=-1.4,f=-11!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 77 GLN : amide:sc= -0.033 K(o=-0.033,f=-1.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 69:sc= 0.0562 USER MOD Single : A 81 GLN : amide:sc= -0.843 K(o=-0.84,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -167:sc= -2.61! (180deg=-3.51!) USER MOD Single : A 87 GLN : amide:sc= -0.769 K(o=-0.77,f=-0.086) USER MOD Single : A 88 THR OG1 : rot 109:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 220 N TYR A 15 -6.317 -30.393 -0.731 1.00 0.00 N ATOM 221 CA TYR A 15 -7.454 -30.567 0.170 1.00 0.00 C ATOM 222 C TYR A 15 -8.641 -31.144 -0.612 1.00 0.00 C ATOM 223 O TYR A 15 -8.814 -30.827 -1.791 1.00 0.00 O ATOM 224 CB TYR A 15 -7.844 -29.224 0.810 1.00 0.00 C ATOM 225 CG TYR A 15 -6.794 -28.644 1.750 1.00 0.00 C ATOM 226 CD1 TYR A 15 -5.641 -28.036 1.260 1.00 0.00 C ATOM 227 CD2 TYR A 15 -6.964 -28.696 3.131 1.00 0.00 C ATOM 228 CE1 TYR A 15 -4.693 -27.504 2.118 1.00 0.00 C ATOM 229 CE2 TYR A 15 -6.021 -28.160 3.990 1.00 0.00 C ATOM 230 CZ TYR A 15 -4.889 -27.567 3.478 1.00 0.00 C ATOM 231 OH TYR A 15 -3.951 -27.028 4.332 1.00 0.00 O ATOM 0 HA TYR A 15 -7.175 -31.257 0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -8.043 -28.502 0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -8.775 -29.355 1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.483 -27.978 0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -7.848 -29.163 3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.802 -27.041 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.172 -28.207 5.058 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.785 -26.094 4.088 1.00 0.00 H new ATOM 241 N PRO A 16 -9.477 -32.003 0.015 1.00 0.00 N ATOM 242 CA PRO A 16 -9.323 -32.446 1.407 1.00 0.00 C ATOM 243 C PRO A 16 -8.275 -33.553 1.557 1.00 0.00 C ATOM 244 O PRO A 16 -8.004 -34.299 0.610 1.00 0.00 O ATOM 245 CB PRO A 16 -10.727 -32.979 1.780 1.00 0.00 C ATOM 246 CG PRO A 16 -11.595 -32.726 0.582 1.00 0.00 C ATOM 247 CD PRO A 16 -10.664 -32.609 -0.592 1.00 0.00 C ATOM 0 HA PRO A 16 -8.976 -31.637 2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.691 -34.042 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.118 -32.468 2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.305 -33.540 0.436 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.178 -31.814 0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.444 -33.580 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.081 -31.985 -1.382 1.00 0.00 H new ATOM 255 N CYS A 17 -7.695 -33.656 2.751 1.00 0.00 N ATOM 256 CA CYS A 17 -6.674 -34.661 3.033 1.00 0.00 C ATOM 257 C CYS A 17 -6.486 -34.837 4.535 1.00 0.00 C ATOM 258 O CYS A 17 -6.890 -33.983 5.326 1.00 0.00 O ATOM 259 CB CYS A 17 -5.339 -34.257 2.388 1.00 0.00 C ATOM 260 SG CYS A 17 -3.983 -35.420 2.691 1.00 0.00 S ATOM 0 H CYS A 17 -7.917 -33.052 3.542 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.006 -35.609 2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.484 -34.158 1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.050 -33.275 2.762 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.642 -35.372 3.945 1.00 0.00 H new ATOM 266 N LEU A 18 -5.889 -35.962 4.915 1.00 0.00 N ATOM 267 CA LEU A 18 -5.506 -36.214 6.299 1.00 0.00 C ATOM 268 C LEU A 18 -4.250 -35.417 6.636 1.00 0.00 C ATOM 269 O LEU A 18 -3.224 -35.562 5.967 1.00 0.00 O ATOM 270 CB LEU A 18 -5.246 -37.712 6.509 1.00 0.00 C ATOM 271 CG LEU A 18 -6.473 -38.622 6.338 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.051 -40.087 6.224 1.00 0.00 C ATOM 273 CD2 LEU A 18 -7.445 -38.433 7.500 1.00 0.00 C ATOM 0 H LEU A 18 -5.658 -36.722 4.275 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.318 -35.902 6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.476 -38.032 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.844 -37.857 7.512 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.980 -38.341 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.936 -40.712 6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.398 -40.211 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.517 -40.383 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.308 -39.085 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.946 -38.684 8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.776 -37.395 7.532 1.00 0.00 H new ATOM 285 N TRP A 19 -4.338 -34.571 7.656 1.00 0.00 N ATOM 286 CA TRP A 19 -3.202 -33.757 8.085 1.00 0.00 C ATOM 287 C TRP A 19 -2.807 -34.125 9.517 1.00 0.00 C ATOM 288 O TRP A 19 -3.668 -34.470 10.332 1.00 0.00 O ATOM 289 CB TRP A 19 -3.552 -32.262 7.985 1.00 0.00 C ATOM 290 CG TRP A 19 -2.344 -31.370 8.022 1.00 0.00 C ATOM 291 CD1 TRP A 19 -1.792 -30.765 9.116 1.00 0.00 C ATOM 292 CD2 TRP A 19 -1.534 -30.992 6.901 1.00 0.00 C ATOM 293 NE1 TRP A 19 -0.682 -30.045 8.746 1.00 0.00 N ATOM 294 CE2 TRP A 19 -0.503 -30.170 7.391 1.00 0.00 C ATOM 295 CE3 TRP A 19 -1.575 -31.274 5.530 1.00 0.00 C ATOM 296 CZ2 TRP A 19 0.475 -29.629 6.559 1.00 0.00 C ATOM 297 CZ3 TRP A 19 -0.604 -30.733 4.709 1.00 0.00 C ATOM 298 CH2 TRP A 19 0.411 -29.923 5.227 1.00 0.00 C ATOM 0 H TRP A 19 -5.186 -34.429 8.204 1.00 0.00 H new ATOM 0 HA TRP A 19 -2.354 -33.955 7.429 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.099 -32.084 7.059 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -4.218 -31.995 8.805 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.173 -30.842 10.124 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -0.088 -29.506 9.376 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.352 -31.903 5.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.257 -28.998 6.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.630 -30.939 3.649 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.160 -29.522 4.560 1.00 0.00 H new ATOM 309 N ASP A 20 -1.507 -34.068 9.812 1.00 0.00 N ATOM 310 CA ASP A 20 -0.991 -34.434 11.134 1.00 0.00 C ATOM 311 C ASP A 20 -0.922 -33.220 12.056 1.00 0.00 C ATOM 312 O ASP A 20 -0.401 -32.164 11.683 1.00 0.00 O ATOM 313 CB ASP A 20 0.407 -35.069 11.029 1.00 0.00 C ATOM 314 CG ASP A 20 0.395 -36.458 10.407 1.00 0.00 C ATOM 315 OD1 ASP A 20 -0.096 -37.405 11.061 1.00 0.00 O ATOM 316 OD2 ASP A 20 0.908 -36.618 9.277 1.00 0.00 O ATOM 0 H ASP A 20 -0.789 -33.771 9.151 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.684 -35.163 11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.050 -34.419 10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.847 -35.129 12.025 1.00 0.00 H new ATOM 321 N TYR A 21 -1.444 -33.386 13.266 1.00 0.00 N ATOM 322 CA TYR A 21 -1.407 -32.354 14.296 1.00 0.00 C ATOM 323 C TYR A 21 -0.694 -32.890 15.532 1.00 0.00 C ATOM 324 O TYR A 21 -1.169 -33.827 16.177 1.00 0.00 O ATOM 325 CB TYR A 21 -2.831 -31.906 14.659 1.00 0.00 C ATOM 326 CG TYR A 21 -3.557 -31.210 13.524 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.239 -31.940 12.556 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.553 -29.823 13.417 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.894 -31.307 11.517 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.203 -29.186 12.381 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.872 -29.932 11.435 1.00 0.00 C ATOM 332 OH TYR A 21 -5.512 -29.299 10.399 1.00 0.00 O ATOM 0 H TYR A 21 -1.907 -34.245 13.562 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.862 -31.491 13.913 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.409 -32.777 14.969 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.784 -31.233 15.516 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.257 -33.018 12.618 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.032 -29.235 14.158 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.420 -31.887 10.773 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.188 -28.108 12.311 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.986 -29.400 9.579 1.00 0.00 H new ATOM 342 N ARG A 22 0.453 -32.307 15.852 1.00 0.00 N ATOM 343 CA ARG A 22 1.245 -32.747 16.994 1.00 0.00 C ATOM 344 C ARG A 22 0.756 -32.058 18.265 1.00 0.00 C ATOM 345 O ARG A 22 0.893 -30.841 18.416 1.00 0.00 O ATOM 346 CB ARG A 22 2.733 -32.452 16.762 1.00 0.00 C ATOM 347 CG ARG A 22 3.647 -32.938 17.886 1.00 0.00 C ATOM 348 CD ARG A 22 3.607 -34.455 18.040 1.00 0.00 C ATOM 349 NE ARG A 22 3.995 -35.144 16.804 1.00 0.00 N ATOM 350 CZ ARG A 22 5.164 -35.765 16.627 1.00 0.00 C ATOM 351 NH1 ARG A 22 6.080 -35.760 17.590 1.00 0.00 N ATOM 352 NH2 ARG A 22 5.419 -36.381 15.479 1.00 0.00 N ATOM 0 H ARG A 22 0.857 -31.526 15.336 1.00 0.00 H new ATOM 0 HA ARG A 22 1.124 -33.824 17.110 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.044 -32.919 15.828 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.865 -31.377 16.640 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.670 -32.621 17.684 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.348 -32.470 18.824 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.275 -34.755 18.847 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.602 -34.764 18.327 1.00 0.00 H new ATOM 0 HE ARG A 22 3.330 -35.149 16.031 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.892 -35.280 18.470 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.971 -36.236 17.449 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.723 -36.380 14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.311 -36.856 15.342 1.00 0.00 H new ATOM 366 N VAL A 23 0.175 -32.841 19.165 1.00 0.00 N ATOM 367 CA VAL A 23 -0.388 -32.324 20.406 1.00 0.00 C ATOM 368 C VAL A 23 0.410 -32.830 21.604 1.00 0.00 C ATOM 369 O VAL A 23 0.385 -34.018 21.915 1.00 0.00 O ATOM 370 CB VAL A 23 -1.866 -32.760 20.569 1.00 0.00 C ATOM 371 CG1 VAL A 23 -2.492 -32.123 21.811 1.00 0.00 C ATOM 372 CG2 VAL A 23 -2.668 -32.428 19.311 1.00 0.00 C ATOM 0 H VAL A 23 0.081 -33.851 19.056 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.338 -31.236 20.362 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.889 -33.841 20.707 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.529 -32.445 21.902 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.937 -32.432 22.697 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.456 -31.037 21.720 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.703 -32.742 19.446 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.635 -31.353 19.132 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.238 -32.951 18.457 1.00 0.00 H new ATOM 382 N ILE A 24 1.128 -31.932 22.266 1.00 0.00 N ATOM 383 CA ILE A 24 1.911 -32.295 23.442 1.00 0.00 C ATOM 384 C ILE A 24 1.176 -31.865 24.712 1.00 0.00 C ATOM 385 O ILE A 24 1.015 -30.668 24.972 1.00 0.00 O ATOM 386 CB ILE A 24 3.320 -31.650 23.407 1.00 0.00 C ATOM 387 CG1 ILE A 24 4.050 -32.036 22.107 1.00 0.00 C ATOM 388 CG2 ILE A 24 4.135 -32.074 24.631 1.00 0.00 C ATOM 389 CD1 ILE A 24 5.431 -31.426 21.967 1.00 0.00 C ATOM 0 H ILE A 24 1.185 -30.946 22.009 1.00 0.00 H new ATOM 0 HA ILE A 24 2.035 -33.378 23.440 1.00 0.00 H new ATOM 0 HB ILE A 24 3.208 -30.566 23.432 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.138 -33.121 22.061 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.441 -31.729 21.256 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.121 -31.612 24.589 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.622 -31.754 25.538 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.243 -33.159 24.638 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.877 -31.747 21.026 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.352 -30.339 21.979 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.059 -31.753 22.796 1.00 0.00 H new ATOM 401 N MET A 25 0.716 -32.847 25.489 1.00 0.00 N ATOM 402 CA MET A 25 -0.013 -32.585 26.732 1.00 0.00 C ATOM 403 C MET A 25 0.704 -33.230 27.915 1.00 0.00 C ATOM 404 O MET A 25 1.548 -34.106 27.737 1.00 0.00 O ATOM 405 CB MET A 25 -1.460 -33.105 26.642 1.00 0.00 C ATOM 406 CG MET A 25 -2.291 -32.434 25.555 1.00 0.00 C ATOM 407 SD MET A 25 -4.051 -32.829 25.668 1.00 0.00 S ATOM 408 CE MET A 25 -4.046 -34.601 25.403 1.00 0.00 C ATOM 0 H MET A 25 0.836 -33.838 25.278 1.00 0.00 H new ATOM 0 HA MET A 25 -0.045 -31.506 26.884 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.439 -34.179 26.458 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.950 -32.956 27.604 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.162 -31.354 25.621 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.917 -32.741 24.578 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.071 -34.954 25.287 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.478 -34.833 24.502 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.586 -35.096 26.259 1.00 0.00 H new ATOM 418 N THR A 26 0.361 -32.787 29.120 1.00 0.00 N ATOM 419 CA THR A 26 0.991 -33.280 30.343 1.00 0.00 C ATOM 420 C THR A 26 0.200 -34.432 30.968 1.00 0.00 C ATOM 421 O THR A 26 0.451 -34.817 32.116 1.00 0.00 O ATOM 422 CB THR A 26 1.128 -32.135 31.373 1.00 0.00 C ATOM 423 OG1 THR A 26 -0.104 -31.401 31.447 1.00 0.00 O ATOM 424 CG2 THR A 26 2.265 -31.188 31.000 1.00 0.00 C ATOM 0 H THR A 26 -0.357 -32.080 29.278 1.00 0.00 H new ATOM 0 HA THR A 26 1.978 -33.654 30.070 1.00 0.00 H new ATOM 0 HB THR A 26 1.356 -32.577 32.343 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.015 -30.677 32.102 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.336 -30.394 31.743 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.204 -31.741 30.969 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.069 -30.752 30.021 1.00 0.00 H new ATOM 432 N THR A 27 -0.739 -34.992 30.210 1.00 0.00 N ATOM 433 CA THR A 27 -1.606 -36.051 30.714 1.00 0.00 C ATOM 434 C THR A 27 -1.642 -37.234 29.751 1.00 0.00 C ATOM 435 O THR A 27 -1.277 -37.110 28.579 1.00 0.00 O ATOM 436 CB THR A 27 -3.054 -35.541 30.926 1.00 0.00 C ATOM 437 OG1 THR A 27 -3.851 -36.555 31.553 1.00 0.00 O ATOM 438 CG2 THR A 27 -3.696 -35.144 29.600 1.00 0.00 C ATOM 0 H THR A 27 -0.919 -34.728 29.241 1.00 0.00 H new ATOM 0 HA THR A 27 -1.192 -36.370 31.671 1.00 0.00 H new ATOM 0 HB THR A 27 -3.006 -34.663 31.570 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.710 -36.172 31.828 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.711 -34.790 29.779 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.111 -34.350 29.136 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.725 -36.008 28.936 1.00 0.00 H new ATOM 446 N LYS A 28 -2.081 -38.376 30.266 1.00 0.00 N ATOM 447 CA LYS A 28 -2.322 -39.563 29.455 1.00 0.00 C ATOM 448 C LYS A 28 -3.794 -39.630 29.066 1.00 0.00 C ATOM 449 O LYS A 28 -4.179 -40.362 28.152 1.00 0.00 O ATOM 450 CB LYS A 28 -1.922 -40.828 30.232 1.00 0.00 C ATOM 451 CG LYS A 28 -0.419 -41.097 30.251 1.00 0.00 C ATOM 452 CD LYS A 28 0.085 -41.580 28.890 1.00 0.00 C ATOM 453 CE LYS A 28 -0.547 -42.914 28.497 1.00 0.00 C ATOM 454 NZ LYS A 28 -0.074 -43.397 27.172 1.00 0.00 N ATOM 0 H LYS A 28 -2.280 -38.505 31.258 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.716 -39.504 28.551 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.278 -40.739 31.259 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.429 -41.687 29.793 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.110 -40.187 30.533 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.193 -41.846 31.010 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.142 -40.832 28.131 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.170 -41.685 28.919 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.315 -43.661 29.257 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.632 -42.807 28.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.531 -44.305 26.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.318 -42.699 26.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.958 -43.526 27.198 1.00 0.00 H new ATOM 468 N ASP A 29 -4.613 -38.840 29.758 1.00 0.00 N ATOM 469 CA ASP A 29 -6.051 -38.836 29.535 1.00 0.00 C ATOM 470 C ASP A 29 -6.396 -37.965 28.338 1.00 0.00 C ATOM 471 O ASP A 29 -6.756 -36.793 28.482 1.00 0.00 O ATOM 472 CB ASP A 29 -6.805 -38.348 30.782 1.00 0.00 C ATOM 473 CG ASP A 29 -8.317 -38.312 30.579 1.00 0.00 C ATOM 474 OD1 ASP A 29 -8.915 -39.389 30.360 1.00 0.00 O ATOM 475 OD2 ASP A 29 -8.918 -37.216 30.656 1.00 0.00 O ATOM 0 H ASP A 29 -4.299 -38.192 30.481 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.363 -39.860 29.331 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.571 -39.002 31.622 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.454 -37.351 31.047 1.00 0.00 H new ATOM 480 N THR A 30 -6.239 -38.525 27.149 1.00 0.00 N ATOM 481 CA THR A 30 -6.630 -37.829 25.943 1.00 0.00 C ATOM 482 C THR A 30 -8.147 -37.942 25.766 1.00 0.00 C ATOM 483 O THR A 30 -8.673 -38.976 25.349 1.00 0.00 O ATOM 484 CB THR A 30 -5.875 -38.357 24.693 1.00 0.00 C ATOM 485 OG1 THR A 30 -6.365 -37.713 23.508 1.00 0.00 O ATOM 486 CG2 THR A 30 -5.992 -39.873 24.550 1.00 0.00 C ATOM 0 H THR A 30 -5.846 -39.454 26.998 1.00 0.00 H new ATOM 0 HA THR A 30 -6.355 -36.779 26.045 1.00 0.00 H new ATOM 0 HB THR A 30 -4.820 -38.119 24.827 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.999 -38.161 22.717 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.449 -40.198 23.662 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.569 -40.355 25.431 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.042 -40.149 24.454 1.00 0.00 H new ATOM 494 N SER A 31 -8.848 -36.881 26.142 1.00 0.00 N ATOM 495 CA SER A 31 -10.303 -36.852 26.094 1.00 0.00 C ATOM 496 C SER A 31 -10.785 -35.688 25.233 1.00 0.00 C ATOM 497 O SER A 31 -11.215 -35.890 24.094 1.00 0.00 O ATOM 498 CB SER A 31 -10.852 -36.748 27.524 1.00 0.00 C ATOM 499 OG SER A 31 -10.145 -35.760 28.263 1.00 0.00 O ATOM 0 H SER A 31 -8.426 -36.019 26.488 1.00 0.00 H new ATOM 0 HA SER A 31 -10.673 -37.772 25.640 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.912 -36.498 27.494 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.766 -37.713 28.023 1.00 0.00 H new ATOM 0 HG SER A 31 -9.730 -36.174 29.048 1.00 0.00 H new ATOM 505 N THR A 32 -10.667 -34.472 25.769 1.00 0.00 N ATOM 506 CA THR A 32 -11.084 -33.257 25.070 1.00 0.00 C ATOM 507 C THR A 32 -10.522 -33.216 23.647 1.00 0.00 C ATOM 508 O THR A 32 -11.188 -32.761 22.712 1.00 0.00 O ATOM 509 CB THR A 32 -10.615 -32.010 25.846 1.00 0.00 C ATOM 510 OG1 THR A 32 -10.969 -32.150 27.230 1.00 0.00 O ATOM 511 CG2 THR A 32 -11.241 -30.733 25.285 1.00 0.00 C ATOM 0 H THR A 32 -10.281 -34.303 26.698 1.00 0.00 H new ATOM 0 HA THR A 32 -12.172 -33.262 25.011 1.00 0.00 H new ATOM 0 HB THR A 32 -9.533 -31.930 25.740 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.670 -31.359 27.726 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.888 -29.874 25.856 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.955 -30.616 24.240 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.327 -30.797 25.359 1.00 0.00 H new ATOM 519 N LEU A 33 -9.300 -33.723 23.500 1.00 0.00 N ATOM 520 CA LEU A 33 -8.628 -33.776 22.209 1.00 0.00 C ATOM 521 C LEU A 33 -9.464 -34.552 21.193 1.00 0.00 C ATOM 522 O LEU A 33 -9.659 -34.102 20.069 1.00 0.00 O ATOM 523 CB LEU A 33 -7.241 -34.419 22.361 1.00 0.00 C ATOM 524 CG LEU A 33 -6.431 -34.558 21.060 1.00 0.00 C ATOM 525 CD1 LEU A 33 -6.222 -33.194 20.401 1.00 0.00 C ATOM 526 CD2 LEU A 33 -5.091 -35.244 21.333 1.00 0.00 C ATOM 0 H LEU A 33 -8.752 -34.106 24.270 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.507 -32.757 21.842 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.661 -33.827 23.069 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.365 -35.409 22.800 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.998 -35.181 20.368 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.647 -33.318 19.483 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.190 -32.751 20.166 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.680 -32.539 21.083 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.532 -35.334 20.402 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.517 -34.651 22.045 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.268 -36.237 21.747 1.00 0.00 H new ATOM 538 N LYS A 34 -9.964 -35.715 21.598 1.00 0.00 N ATOM 539 CA LYS A 34 -10.776 -36.542 20.711 1.00 0.00 C ATOM 540 C LYS A 34 -12.185 -35.966 20.570 1.00 0.00 C ATOM 541 O LYS A 34 -12.789 -36.043 19.500 1.00 0.00 O ATOM 542 CB LYS A 34 -10.830 -37.993 21.216 1.00 0.00 C ATOM 543 CG LYS A 34 -9.465 -38.681 21.238 1.00 0.00 C ATOM 544 CD LYS A 34 -9.570 -40.186 21.491 1.00 0.00 C ATOM 545 CE LYS A 34 -10.155 -40.510 22.863 1.00 0.00 C ATOM 546 NZ LYS A 34 -10.235 -41.978 23.093 1.00 0.00 N ATOM 0 H LYS A 34 -9.823 -36.105 22.530 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.309 -36.542 19.726 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.250 -38.004 22.222 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.507 -38.565 20.582 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.961 -38.510 20.287 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.846 -38.228 22.013 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.192 -40.638 20.719 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.580 -40.635 21.407 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.540 -40.053 23.638 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.150 -40.073 22.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.637 -42.160 24.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.842 -42.410 22.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.282 -42.391 23.038 1.00 0.00 H new ATOM 560 N GLU A 35 -12.685 -35.362 21.648 1.00 0.00 N ATOM 561 CA GLU A 35 -14.040 -34.808 21.665 1.00 0.00 C ATOM 562 C GLU A 35 -14.223 -33.752 20.571 1.00 0.00 C ATOM 563 O GLU A 35 -15.245 -33.737 19.877 1.00 0.00 O ATOM 564 CB GLU A 35 -14.357 -34.204 23.042 1.00 0.00 C ATOM 565 CG GLU A 35 -14.342 -35.221 24.180 1.00 0.00 C ATOM 566 CD GLU A 35 -14.755 -34.621 25.516 1.00 0.00 C ATOM 567 OE1 GLU A 35 -15.973 -34.475 25.752 1.00 0.00 O ATOM 568 OE2 GLU A 35 -13.871 -34.293 26.336 1.00 0.00 O ATOM 0 H GLU A 35 -12.172 -35.244 22.522 1.00 0.00 H new ATOM 0 HA GLU A 35 -14.735 -35.624 21.468 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.633 -33.419 23.259 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.338 -33.731 23.003 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.013 -36.044 23.934 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.341 -35.642 24.271 1.00 0.00 H new ATOM 575 N LEU A 36 -13.228 -32.876 20.414 1.00 0.00 N ATOM 576 CA LEU A 36 -13.298 -31.809 19.416 1.00 0.00 C ATOM 577 C LEU A 36 -13.244 -32.397 18.006 1.00 0.00 C ATOM 578 O LEU A 36 -13.841 -31.862 17.077 1.00 0.00 O ATOM 579 CB LEU A 36 -12.171 -30.777 19.638 1.00 0.00 C ATOM 580 CG LEU A 36 -10.727 -31.272 19.398 1.00 0.00 C ATOM 581 CD1 LEU A 36 -10.306 -31.099 17.938 1.00 0.00 C ATOM 582 CD2 LEU A 36 -9.747 -30.560 20.328 1.00 0.00 C ATOM 0 H LEU A 36 -12.368 -32.885 20.963 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.249 -31.288 19.529 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.354 -29.926 18.982 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.240 -30.411 20.662 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.706 -32.338 19.624 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.285 -31.458 17.809 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.976 -31.671 17.296 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.357 -30.044 17.667 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.737 -30.925 20.141 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.785 -29.486 20.144 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.019 -30.760 21.365 1.00 0.00 H new ATOM 594 N LEU A 37 -12.540 -33.514 17.861 1.00 0.00 N ATOM 595 CA LEU A 37 -12.444 -34.201 16.577 1.00 0.00 C ATOM 596 C LEU A 37 -13.816 -34.737 16.177 1.00 0.00 C ATOM 597 O LEU A 37 -14.231 -34.635 15.017 1.00 0.00 O ATOM 598 CB LEU A 37 -11.430 -35.353 16.666 1.00 0.00 C ATOM 599 CG LEU A 37 -10.017 -34.947 17.118 1.00 0.00 C ATOM 600 CD1 LEU A 37 -9.136 -36.174 17.328 1.00 0.00 C ATOM 601 CD2 LEU A 37 -9.382 -33.995 16.109 1.00 0.00 C ATOM 0 H LEU A 37 -12.026 -33.964 18.618 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.102 -33.495 15.820 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.815 -36.102 17.358 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.359 -35.830 15.688 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.105 -34.428 18.072 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.143 -35.858 17.647 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.577 -36.812 18.093 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.057 -36.730 16.394 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.383 -33.720 16.447 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.314 -34.486 15.138 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.995 -33.098 16.020 1.00 0.00 H new ATOM 613 N GLU A 38 -14.528 -35.274 17.165 1.00 0.00 N ATOM 614 CA GLU A 38 -15.838 -35.877 16.946 1.00 0.00 C ATOM 615 C GLU A 38 -16.867 -34.838 16.502 1.00 0.00 C ATOM 616 O GLU A 38 -17.778 -35.155 15.740 1.00 0.00 O ATOM 617 CB GLU A 38 -16.321 -36.582 18.222 1.00 0.00 C ATOM 618 CG GLU A 38 -15.365 -37.653 18.732 1.00 0.00 C ATOM 619 CD GLU A 38 -15.881 -38.345 19.982 1.00 0.00 C ATOM 620 OE1 GLU A 38 -15.862 -37.725 21.066 1.00 0.00 O ATOM 621 OE2 GLU A 38 -16.330 -39.510 19.883 1.00 0.00 O ATOM 0 H GLU A 38 -14.214 -35.303 18.135 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.734 -36.611 16.147 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.468 -35.837 19.004 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.292 -37.037 18.029 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.205 -38.395 17.950 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.397 -37.200 18.945 1.00 0.00 H new ATOM 628 N THR A 39 -16.715 -33.594 16.959 1.00 0.00 N ATOM 629 CA THR A 39 -17.681 -32.543 16.627 1.00 0.00 C ATOM 630 C THR A 39 -17.683 -32.244 15.122 1.00 0.00 C ATOM 631 O THR A 39 -18.659 -31.719 14.584 1.00 0.00 O ATOM 632 CB THR A 39 -17.427 -31.238 17.424 1.00 0.00 C ATOM 633 OG1 THR A 39 -16.138 -30.693 17.113 1.00 0.00 O ATOM 634 CG2 THR A 39 -17.523 -31.485 18.927 1.00 0.00 C ATOM 0 H THR A 39 -15.943 -33.291 17.553 1.00 0.00 H new ATOM 0 HA THR A 39 -18.661 -32.924 16.913 1.00 0.00 H new ATOM 0 HB THR A 39 -18.197 -30.524 17.133 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.508 -31.423 16.939 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.340 -30.553 19.461 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.519 -31.855 19.172 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.778 -32.224 19.223 1.00 0.00 H new ATOM 642 N TYR A 40 -16.591 -32.595 14.440 1.00 0.00 N ATOM 643 CA TYR A 40 -16.509 -32.416 12.990 1.00 0.00 C ATOM 644 C TYR A 40 -17.169 -33.589 12.266 1.00 0.00 C ATOM 645 O TYR A 40 -17.351 -33.550 11.050 1.00 0.00 O ATOM 646 CB TYR A 40 -15.052 -32.274 12.533 1.00 0.00 C ATOM 647 CG TYR A 40 -14.363 -31.021 13.039 1.00 0.00 C ATOM 648 CD1 TYR A 40 -14.574 -29.785 12.431 1.00 0.00 C ATOM 649 CD2 TYR A 40 -13.500 -31.073 14.124 1.00 0.00 C ATOM 650 CE1 TYR A 40 -13.943 -28.644 12.892 1.00 0.00 C ATOM 651 CE2 TYR A 40 -12.865 -29.936 14.592 1.00 0.00 C ATOM 652 CZ TYR A 40 -13.092 -28.725 13.971 1.00 0.00 C ATOM 653 OH TYR A 40 -12.470 -27.587 14.430 1.00 0.00 O ATOM 0 H TYR A 40 -15.758 -33.002 14.865 1.00 0.00 H new ATOM 0 HA TYR A 40 -17.041 -31.499 12.738 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.490 -33.145 12.870 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.022 -32.277 11.443 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.242 -29.717 11.585 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.320 -32.019 14.613 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -14.117 -27.694 12.408 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.196 -29.996 15.438 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.551 -27.558 14.092 1.00 0.00 H new ATOM 663 N GLN A 41 -17.507 -34.634 13.026 1.00 0.00 N ATOM 664 CA GLN A 41 -18.184 -35.820 12.489 1.00 0.00 C ATOM 665 C GLN A 41 -17.317 -36.529 11.443 1.00 0.00 C ATOM 666 O GLN A 41 -17.823 -37.261 10.590 1.00 0.00 O ATOM 667 CB GLN A 41 -19.547 -35.432 11.882 1.00 0.00 C ATOM 668 CG GLN A 41 -20.546 -34.866 12.890 1.00 0.00 C ATOM 669 CD GLN A 41 -21.000 -35.892 13.916 1.00 0.00 C ATOM 670 OE1 GLN A 41 -21.970 -36.614 13.698 1.00 0.00 O ATOM 671 NE2 GLN A 41 -20.311 -35.958 15.044 1.00 0.00 N ATOM 0 H GLN A 41 -17.320 -34.683 14.028 1.00 0.00 H new ATOM 0 HA GLN A 41 -18.350 -36.513 13.314 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -19.385 -34.695 11.096 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -19.984 -36.311 11.409 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -20.093 -34.020 13.406 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -21.416 -34.485 12.356 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -19.511 -35.342 15.190 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -20.580 -36.625 15.768 1.00 0.00 H new ATOM 680 N ARG A 42 -16.003 -36.328 11.536 1.00 0.00 N ATOM 681 CA ARG A 42 -15.059 -36.917 10.587 1.00 0.00 C ATOM 682 C ARG A 42 -14.075 -37.832 11.320 1.00 0.00 C ATOM 683 O ARG A 42 -13.734 -37.574 12.478 1.00 0.00 O ATOM 684 CB ARG A 42 -14.304 -35.809 9.834 1.00 0.00 C ATOM 685 CG ARG A 42 -13.368 -34.985 10.716 1.00 0.00 C ATOM 686 CD ARG A 42 -12.771 -33.797 9.967 1.00 0.00 C ATOM 687 NE ARG A 42 -13.789 -32.808 9.601 1.00 0.00 N ATOM 688 CZ ARG A 42 -13.527 -31.637 9.012 1.00 0.00 C ATOM 689 NH1 ARG A 42 -12.279 -31.290 8.727 1.00 0.00 N ATOM 690 NH2 ARG A 42 -14.522 -30.814 8.705 1.00 0.00 N ATOM 0 H ARG A 42 -15.567 -35.759 12.262 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.613 -37.514 9.863 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.724 -36.261 9.029 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.029 -35.141 9.368 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.915 -34.626 11.588 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.564 -35.622 11.085 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.011 -33.322 10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.270 -34.152 9.066 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.763 -33.028 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.510 -31.919 8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.089 -30.394 8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.484 -31.076 8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.324 -29.920 8.256 1.00 0.00 H new ATOM 704 N PRO A 43 -13.619 -38.919 10.665 1.00 0.00 N ATOM 705 CA PRO A 43 -12.679 -39.872 11.271 1.00 0.00 C ATOM 706 C PRO A 43 -11.289 -39.269 11.488 1.00 0.00 C ATOM 707 O PRO A 43 -10.936 -38.242 10.899 1.00 0.00 O ATOM 708 CB PRO A 43 -12.624 -41.020 10.253 1.00 0.00 C ATOM 709 CG PRO A 43 -12.990 -40.389 8.953 1.00 0.00 C ATOM 710 CD PRO A 43 -13.986 -39.309 9.286 1.00 0.00 C ATOM 0 HA PRO A 43 -13.002 -40.185 12.264 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.630 -41.465 10.211 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.320 -41.817 10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.112 -39.972 8.460 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.421 -41.121 8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.912 -38.468 8.597 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -15.011 -39.676 9.231 1.00 0.00 H new ATOM 718 N PHE A 44 -10.503 -39.930 12.335 1.00 0.00 N ATOM 719 CA PHE A 44 -9.161 -39.476 12.681 1.00 0.00 C ATOM 720 C PHE A 44 -8.311 -40.659 13.135 1.00 0.00 C ATOM 721 O PHE A 44 -8.822 -41.769 13.298 1.00 0.00 O ATOM 722 CB PHE A 44 -9.228 -38.421 13.798 1.00 0.00 C ATOM 723 CG PHE A 44 -9.873 -38.920 15.073 1.00 0.00 C ATOM 724 CD1 PHE A 44 -11.246 -38.824 15.257 1.00 0.00 C ATOM 725 CD2 PHE A 44 -9.106 -39.483 16.086 1.00 0.00 C ATOM 726 CE1 PHE A 44 -11.837 -39.278 16.420 1.00 0.00 C ATOM 727 CE2 PHE A 44 -9.694 -39.937 17.251 1.00 0.00 C ATOM 728 CZ PHE A 44 -11.061 -39.835 17.418 1.00 0.00 C ATOM 0 H PHE A 44 -10.780 -40.795 12.800 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.705 -39.027 11.799 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.218 -38.079 14.023 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.784 -37.556 13.435 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -11.859 -38.389 14.482 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.037 -39.567 15.961 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -12.906 -39.197 16.549 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.085 -40.371 18.030 1.00 0.00 H new ATOM 0 HZ PHE A 44 -11.523 -40.190 18.327 1.00 0.00 H new ATOM 738 N LYS A 45 -7.019 -40.420 13.335 1.00 0.00 N ATOM 739 CA LYS A 45 -6.116 -41.436 13.875 1.00 0.00 C ATOM 740 C LYS A 45 -5.369 -40.863 15.079 1.00 0.00 C ATOM 741 O LYS A 45 -4.562 -39.942 14.932 1.00 0.00 O ATOM 742 CB LYS A 45 -5.116 -41.905 12.803 1.00 0.00 C ATOM 743 CG LYS A 45 -4.334 -43.161 13.185 1.00 0.00 C ATOM 744 CD LYS A 45 -3.401 -43.638 12.063 1.00 0.00 C ATOM 745 CE LYS A 45 -2.056 -42.906 12.048 1.00 0.00 C ATOM 746 NZ LYS A 45 -2.173 -41.461 11.709 1.00 0.00 N ATOM 0 H LYS A 45 -6.570 -39.527 13.131 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.704 -42.299 14.188 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.657 -42.095 11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.411 -41.098 12.602 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.746 -42.960 14.081 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.034 -43.959 13.435 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.224 -44.708 12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.896 -43.496 11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.586 -43.005 13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.396 -43.388 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.471 -41.217 10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.129 -41.265 11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.001 -40.890 12.561 1.00 0.00 H new ATOM 760 N LEU A 46 -5.664 -41.393 16.264 1.00 0.00 N ATOM 761 CA LEU A 46 -5.036 -40.928 17.500 1.00 0.00 C ATOM 762 C LEU A 46 -3.745 -41.712 17.736 1.00 0.00 C ATOM 763 O LEU A 46 -3.756 -42.946 17.763 1.00 0.00 O ATOM 764 CB LEU A 46 -6.014 -41.102 18.684 1.00 0.00 C ATOM 765 CG LEU A 46 -5.729 -40.265 19.954 1.00 0.00 C ATOM 766 CD1 LEU A 46 -4.440 -40.701 20.653 1.00 0.00 C ATOM 767 CD2 LEU A 46 -5.678 -38.775 19.615 1.00 0.00 C ATOM 0 H LEU A 46 -6.337 -42.148 16.395 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.792 -39.869 17.416 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.017 -40.858 18.334 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.022 -42.155 18.966 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.550 -40.441 20.649 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.281 -40.086 21.539 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.522 -41.747 20.948 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.598 -40.581 19.971 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.477 -38.203 20.520 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.886 -38.594 18.888 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.635 -38.465 19.195 1.00 0.00 H new ATOM 779 N GLU A 47 -2.635 -40.996 17.893 1.00 0.00 N ATOM 780 CA GLU A 47 -1.330 -41.623 18.085 1.00 0.00 C ATOM 781 C GLU A 47 -0.641 -41.114 19.344 1.00 0.00 C ATOM 782 O GLU A 47 -0.756 -39.940 19.693 1.00 0.00 O ATOM 783 CB GLU A 47 -0.426 -41.337 16.885 1.00 0.00 C ATOM 784 CG GLU A 47 -0.957 -41.861 15.560 1.00 0.00 C ATOM 785 CD GLU A 47 -0.010 -41.570 14.412 1.00 0.00 C ATOM 786 OE1 GLU A 47 1.034 -42.253 14.317 1.00 0.00 O ATOM 787 OE2 GLU A 47 -0.299 -40.657 13.613 1.00 0.00 O ATOM 0 H GLU A 47 -2.613 -39.976 17.891 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.499 -42.695 18.186 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.280 -40.260 16.804 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.553 -41.778 17.070 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.117 -42.937 15.634 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.927 -41.408 15.354 1.00 0.00 H new ATOM 794 N PHE A 48 0.071 -42.011 20.015 1.00 0.00 N ATOM 795 CA PHE A 48 0.996 -41.643 21.081 1.00 0.00 C ATOM 796 C PHE A 48 2.418 -41.902 20.590 1.00 0.00 C ATOM 797 O PHE A 48 2.831 -43.056 20.448 1.00 0.00 O ATOM 798 CB PHE A 48 0.707 -42.449 22.357 1.00 0.00 C ATOM 799 CG PHE A 48 1.711 -42.223 23.463 1.00 0.00 C ATOM 800 CD1 PHE A 48 1.721 -41.033 24.180 1.00 0.00 C ATOM 801 CD2 PHE A 48 2.647 -43.198 23.784 1.00 0.00 C ATOM 802 CE1 PHE A 48 2.642 -40.823 25.188 1.00 0.00 C ATOM 803 CE2 PHE A 48 3.569 -42.990 24.792 1.00 0.00 C ATOM 804 CZ PHE A 48 3.566 -41.803 25.495 1.00 0.00 C ATOM 0 H PHE A 48 0.024 -43.014 19.836 1.00 0.00 H new ATOM 0 HA PHE A 48 0.874 -40.588 21.328 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.286 -42.189 22.722 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.687 -43.510 22.108 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.000 -40.263 23.947 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.654 -44.130 23.239 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.640 -39.892 25.736 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.292 -43.757 25.029 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.285 -41.640 26.284 1.00 0.00 H new ATOM 814 N LYS A 49 3.154 -40.832 20.311 1.00 0.00 N ATOM 815 CA LYS A 49 4.479 -40.949 19.710 1.00 0.00 C ATOM 816 C LYS A 49 5.514 -41.428 20.727 1.00 0.00 C ATOM 817 O LYS A 49 6.118 -42.488 20.545 1.00 0.00 O ATOM 818 CB LYS A 49 4.905 -39.613 19.083 1.00 0.00 C ATOM 819 CG LYS A 49 4.037 -39.186 17.899 1.00 0.00 C ATOM 820 CD LYS A 49 4.085 -40.206 16.755 1.00 0.00 C ATOM 821 CE LYS A 49 3.244 -39.764 15.559 1.00 0.00 C ATOM 822 NZ LYS A 49 3.311 -40.730 14.428 1.00 0.00 N ATOM 0 H LYS A 49 2.856 -39.873 20.491 1.00 0.00 H new ATOM 0 HA LYS A 49 4.424 -41.699 18.921 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.870 -38.836 19.847 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.941 -39.690 18.754 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.006 -39.062 18.231 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.373 -38.216 17.534 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.118 -40.348 16.439 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.726 -41.171 17.114 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.206 -39.647 15.872 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.587 -38.787 15.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.379 -40.209 13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.148 -41.338 14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.454 -41.319 14.423 1.00 0.00 H new ATOM 836 N ASN A 50 5.720 -40.659 21.794 1.00 0.00 N ATOM 837 CA ASN A 50 6.709 -41.022 22.813 1.00 0.00 C ATOM 838 C ASN A 50 6.535 -40.160 24.067 1.00 0.00 C ATOM 839 O ASN A 50 5.862 -39.129 24.035 1.00 0.00 O ATOM 840 CB ASN A 50 8.133 -40.870 22.241 1.00 0.00 C ATOM 841 CG ASN A 50 9.204 -41.473 23.140 1.00 0.00 C ATOM 842 OD1 ASN A 50 9.797 -40.789 23.975 1.00 0.00 O ATOM 843 ND2 ASN A 50 9.455 -42.765 22.980 1.00 0.00 N ATOM 0 H ASN A 50 5.222 -39.788 21.977 1.00 0.00 H new ATOM 0 HA ASN A 50 6.554 -42.063 23.096 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.178 -41.347 21.262 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.347 -39.812 22.090 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.159 -43.223 23.559 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.944 -43.301 22.278 1.00 0.00 H new ATOM 850 N THR A 51 7.130 -40.596 25.175 1.00 0.00 N ATOM 851 CA THR A 51 7.068 -39.855 26.431 1.00 0.00 C ATOM 852 C THR A 51 8.352 -39.037 26.616 1.00 0.00 C ATOM 853 O THR A 51 9.455 -39.527 26.360 1.00 0.00 O ATOM 854 CB THR A 51 6.846 -40.810 27.636 1.00 0.00 C ATOM 855 OG1 THR A 51 6.636 -40.058 28.838 1.00 0.00 O ATOM 856 CG2 THR A 51 8.024 -41.760 27.828 1.00 0.00 C ATOM 0 H THR A 51 7.663 -41.464 25.227 1.00 0.00 H new ATOM 0 HA THR A 51 6.217 -39.175 26.390 1.00 0.00 H new ATOM 0 HB THR A 51 5.960 -41.406 27.418 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.681 -40.053 29.058 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.831 -42.412 28.680 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.153 -42.365 26.931 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.931 -41.183 28.011 1.00 0.00 H new ATOM 864 N SER A 52 8.203 -37.787 27.044 1.00 0.00 N ATOM 865 CA SER A 52 9.325 -36.860 27.137 1.00 0.00 C ATOM 866 C SER A 52 10.248 -37.215 28.308 1.00 0.00 C ATOM 867 O SER A 52 10.094 -36.681 29.407 1.00 0.00 O ATOM 868 CB SER A 52 8.806 -35.421 27.275 1.00 0.00 C ATOM 869 OG SER A 52 9.862 -34.473 27.261 1.00 0.00 O ATOM 0 H SER A 52 7.309 -37.391 27.334 1.00 0.00 H new ATOM 0 HA SER A 52 9.910 -36.941 26.221 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.114 -35.205 26.461 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.245 -35.325 28.204 1.00 0.00 H new ATOM 0 HG SER A 52 9.492 -33.570 27.349 1.00 0.00 H new ATOM 875 N LYS A 53 11.167 -38.156 28.054 1.00 0.00 N ATOM 876 CA LYS A 53 12.229 -38.544 28.995 1.00 0.00 C ATOM 877 C LYS A 53 11.708 -38.780 30.418 1.00 0.00 C ATOM 878 O LYS A 53 11.479 -39.920 30.821 1.00 0.00 O ATOM 879 CB LYS A 53 13.353 -37.496 29.004 1.00 0.00 C ATOM 880 CG LYS A 53 14.062 -37.345 27.659 1.00 0.00 C ATOM 881 CD LYS A 53 15.231 -36.366 27.741 1.00 0.00 C ATOM 882 CE LYS A 53 15.979 -36.262 26.415 1.00 0.00 C ATOM 883 NZ LYS A 53 16.500 -37.582 25.968 1.00 0.00 N ATOM 0 H LYS A 53 11.195 -38.677 27.177 1.00 0.00 H new ATOM 0 HA LYS A 53 12.626 -39.496 28.642 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.937 -36.532 29.296 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.086 -37.769 29.763 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.425 -38.318 27.328 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.350 -36.999 26.910 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.861 -35.382 28.027 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.920 -36.687 28.522 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.313 -35.857 25.653 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.807 -35.561 26.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.193 -37.442 25.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 16.959 -38.063 26.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.713 -38.165 25.618 1.00 0.00 H new ATOM 897 N ASN A 54 11.505 -37.695 31.160 1.00 0.00 N ATOM 898 CA ASN A 54 11.075 -37.768 32.559 1.00 0.00 C ATOM 899 C ASN A 54 9.584 -38.080 32.661 1.00 0.00 C ATOM 900 O ASN A 54 9.010 -38.049 33.752 1.00 0.00 O ATOM 901 CB ASN A 54 11.373 -36.442 33.281 1.00 0.00 C ATOM 902 CG ASN A 54 12.839 -36.047 33.216 1.00 0.00 C ATOM 903 OD1 ASN A 54 13.722 -36.898 33.129 1.00 0.00 O ATOM 904 ND2 ASN A 54 13.109 -34.751 33.260 1.00 0.00 N ATOM 0 H ASN A 54 11.632 -36.744 30.814 1.00 0.00 H new ATOM 0 HA ASN A 54 11.633 -38.574 33.036 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.769 -35.650 32.838 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.071 -36.527 34.325 1.00 0.00 H new ATOM 0 HD21 ASN A 54 14.076 -34.430 33.222 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.350 -34.074 33.332 1.00 0.00 H new ATOM 911 N ALA A 55 8.959 -38.359 31.513 1.00 0.00 N ATOM 912 CA ALA A 55 7.534 -38.685 31.451 1.00 0.00 C ATOM 913 C ALA A 55 6.681 -37.500 31.904 1.00 0.00 C ATOM 914 O ALA A 55 5.512 -37.658 32.260 1.00 0.00 O ATOM 915 CB ALA A 55 7.229 -39.930 32.283 1.00 0.00 C ATOM 0 H ALA A 55 9.425 -38.365 30.606 1.00 0.00 H new ATOM 0 HA ALA A 55 7.280 -38.900 30.413 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.164 -40.155 32.224 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.801 -40.774 31.898 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.504 -39.750 33.322 1.00 0.00 H new ATOM 921 N LYS A 56 7.280 -36.314 31.870 1.00 0.00 N ATOM 922 CA LYS A 56 6.604 -35.088 32.283 1.00 0.00 C ATOM 923 C LYS A 56 5.636 -34.625 31.194 1.00 0.00 C ATOM 924 O LYS A 56 4.554 -34.110 31.486 1.00 0.00 O ATOM 925 CB LYS A 56 7.645 -33.995 32.595 1.00 0.00 C ATOM 926 CG LYS A 56 7.055 -32.686 33.127 1.00 0.00 C ATOM 927 CD LYS A 56 6.195 -32.902 34.372 1.00 0.00 C ATOM 928 CE LYS A 56 6.968 -33.564 35.511 1.00 0.00 C ATOM 929 NZ LYS A 56 8.047 -32.699 36.053 1.00 0.00 N ATOM 0 H LYS A 56 8.241 -36.175 31.558 1.00 0.00 H new ATOM 0 HA LYS A 56 6.028 -35.284 33.187 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.352 -34.384 33.328 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.211 -33.781 31.688 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.864 -31.994 33.362 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.452 -32.219 32.348 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.806 -31.942 34.711 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.336 -33.521 34.113 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.276 -33.820 36.313 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.402 -34.498 35.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.538 -33.198 36.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.725 -32.475 35.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.634 -31.818 36.420 1.00 0.00 H new ATOM 943 N PHE A 57 6.029 -34.828 29.940 1.00 0.00 N ATOM 944 CA PHE A 57 5.199 -34.462 28.795 1.00 0.00 C ATOM 945 C PHE A 57 4.924 -35.695 27.939 1.00 0.00 C ATOM 946 O PHE A 57 5.753 -36.604 27.866 1.00 0.00 O ATOM 947 CB PHE A 57 5.888 -33.386 27.942 1.00 0.00 C ATOM 948 CG PHE A 57 6.309 -32.165 28.720 1.00 0.00 C ATOM 949 CD1 PHE A 57 5.379 -31.205 29.089 1.00 0.00 C ATOM 950 CD2 PHE A 57 7.637 -31.977 29.078 1.00 0.00 C ATOM 951 CE1 PHE A 57 5.763 -30.086 29.800 1.00 0.00 C ATOM 952 CE2 PHE A 57 8.025 -30.859 29.788 1.00 0.00 C ATOM 953 CZ PHE A 57 7.087 -29.912 30.148 1.00 0.00 C ATOM 0 H PHE A 57 6.924 -35.247 29.689 1.00 0.00 H new ATOM 0 HA PHE A 57 4.258 -34.059 29.169 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.766 -33.822 27.466 1.00 0.00 H new ATOM 0 HB3 PHE A 57 5.211 -33.081 27.144 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.342 -31.334 28.817 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.375 -32.714 28.798 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.028 -29.347 30.084 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.061 -30.725 30.062 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.389 -29.035 30.702 1.00 0.00 H new ATOM 963 N TYR A 58 3.763 -35.721 27.300 1.00 0.00 N ATOM 964 CA TYR A 58 3.374 -36.824 26.430 1.00 0.00 C ATOM 965 C TYR A 58 3.052 -36.290 25.039 1.00 0.00 C ATOM 966 O TYR A 58 2.233 -35.377 24.894 1.00 0.00 O ATOM 967 CB TYR A 58 2.157 -37.555 27.013 1.00 0.00 C ATOM 968 CG TYR A 58 2.387 -38.095 28.415 1.00 0.00 C ATOM 969 CD1 TYR A 58 3.037 -39.309 28.620 1.00 0.00 C ATOM 970 CD2 TYR A 58 1.956 -37.387 29.534 1.00 0.00 C ATOM 971 CE1 TYR A 58 3.249 -39.799 29.894 1.00 0.00 C ATOM 972 CE2 TYR A 58 2.165 -37.872 30.810 1.00 0.00 C ATOM 973 CZ TYR A 58 2.813 -39.078 30.986 1.00 0.00 C ATOM 974 OH TYR A 58 3.024 -39.565 32.258 1.00 0.00 O ATOM 0 H TYR A 58 3.065 -34.980 27.369 1.00 0.00 H new ATOM 0 HA TYR A 58 4.201 -37.531 26.358 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.307 -36.872 27.030 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.889 -38.381 26.354 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.381 -39.877 27.769 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.450 -36.442 29.402 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.754 -40.743 30.034 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.823 -37.310 31.667 1.00 0.00 H new ATOM 0 HH TYR A 58 3.833 -39.159 32.634 1.00 0.00 H new ATOM 984 N SER A 59 3.703 -36.845 24.021 1.00 0.00 N ATOM 985 CA SER A 59 3.502 -36.391 22.651 1.00 0.00 C ATOM 986 C SER A 59 2.446 -37.241 21.945 1.00 0.00 C ATOM 987 O SER A 59 2.650 -38.433 21.695 1.00 0.00 O ATOM 988 CB SER A 59 4.830 -36.423 21.879 1.00 0.00 C ATOM 989 OG SER A 59 5.422 -37.710 21.921 1.00 0.00 O ATOM 0 H SER A 59 4.373 -37.608 24.120 1.00 0.00 H new ATOM 0 HA SER A 59 3.142 -35.363 22.679 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.657 -36.134 20.842 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.517 -35.691 22.303 1.00 0.00 H new ATOM 0 HG SER A 59 5.761 -37.885 22.824 1.00 0.00 H new ATOM 995 N PHE A 60 1.312 -36.623 21.645 1.00 0.00 N ATOM 996 CA PHE A 60 0.258 -37.258 20.868 1.00 0.00 C ATOM 997 C PHE A 60 0.250 -36.678 19.459 1.00 0.00 C ATOM 998 O PHE A 60 0.765 -35.582 19.228 1.00 0.00 O ATOM 999 CB PHE A 60 -1.115 -37.044 21.529 1.00 0.00 C ATOM 1000 CG PHE A 60 -1.250 -37.678 22.891 1.00 0.00 C ATOM 1001 CD1 PHE A 60 -1.506 -39.038 23.015 1.00 0.00 C ATOM 1002 CD2 PHE A 60 -1.130 -36.917 24.046 1.00 0.00 C ATOM 1003 CE1 PHE A 60 -1.635 -39.623 24.259 1.00 0.00 C ATOM 1004 CE2 PHE A 60 -1.261 -37.498 25.293 1.00 0.00 C ATOM 1005 CZ PHE A 60 -1.514 -38.853 25.400 1.00 0.00 C ATOM 0 H PHE A 60 1.097 -35.668 21.933 1.00 0.00 H new ATOM 0 HA PHE A 60 0.452 -38.330 20.825 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.300 -35.974 21.619 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.888 -37.447 20.875 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.605 -39.645 22.127 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.932 -35.858 23.969 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.830 -40.682 24.340 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.166 -36.894 26.183 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.617 -39.309 26.374 1.00 0.00 H new ATOM 1015 N ASN A 61 -0.322 -37.416 18.520 1.00 0.00 N ATOM 1016 CA ASN A 61 -0.449 -36.948 17.145 1.00 0.00 C ATOM 1017 C ASN A 61 -1.820 -37.312 16.606 1.00 0.00 C ATOM 1018 O ASN A 61 -2.273 -38.447 16.758 1.00 0.00 O ATOM 1019 CB ASN A 61 0.643 -37.547 16.251 1.00 0.00 C ATOM 1020 CG ASN A 61 0.567 -37.039 14.818 1.00 0.00 C ATOM 1021 OD1 ASN A 61 1.137 -35.998 14.490 1.00 0.00 O ATOM 1022 ND2 ASN A 61 -0.116 -37.776 13.950 1.00 0.00 N ATOM 0 H ASN A 61 -0.708 -38.346 18.685 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.330 -35.864 17.140 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.621 -37.306 16.667 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.554 -38.633 16.253 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.181 -37.485 12.974 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.575 -38.633 14.259 1.00 0.00 H new ATOM 1029 N VAL A 62 -2.479 -36.341 15.996 1.00 0.00 N ATOM 1030 CA VAL A 62 -3.796 -36.545 15.421 1.00 0.00 C ATOM 1031 C VAL A 62 -3.746 -36.340 13.913 1.00 0.00 C ATOM 1032 O VAL A 62 -3.414 -35.255 13.443 1.00 0.00 O ATOM 1033 CB VAL A 62 -4.823 -35.555 16.026 1.00 0.00 C ATOM 1034 CG1 VAL A 62 -6.188 -35.704 15.353 1.00 0.00 C ATOM 1035 CG2 VAL A 62 -4.936 -35.747 17.538 1.00 0.00 C ATOM 0 H VAL A 62 -2.117 -35.394 15.886 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.106 -37.565 15.648 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.466 -34.542 15.839 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.891 -34.998 15.796 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.092 -35.500 14.287 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.555 -36.720 15.496 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.663 -35.041 17.941 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.261 -36.765 17.752 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.965 -35.572 18.001 1.00 0.00 H new ATOM 1045 N SER A 63 -4.066 -37.380 13.159 1.00 0.00 N ATOM 1046 CA SER A 63 -4.209 -37.252 11.718 1.00 0.00 C ATOM 1047 C SER A 63 -5.691 -37.287 11.365 1.00 0.00 C ATOM 1048 O SER A 63 -6.333 -38.338 11.451 1.00 0.00 O ATOM 1049 CB SER A 63 -3.448 -38.373 11.000 1.00 0.00 C ATOM 1050 OG SER A 63 -3.927 -39.648 11.391 1.00 0.00 O ATOM 0 H SER A 63 -4.231 -38.320 13.520 1.00 0.00 H new ATOM 0 HA SER A 63 -3.783 -36.304 11.390 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.555 -38.256 9.922 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.384 -38.296 11.225 1.00 0.00 H new ATOM 0 HG SER A 63 -4.879 -39.586 11.613 1.00 0.00 H new ATOM 1056 N MET A 64 -6.237 -36.133 11.000 1.00 0.00 N ATOM 1057 CA MET A 64 -7.661 -36.010 10.703 1.00 0.00 C ATOM 1058 C MET A 64 -7.861 -35.332 9.358 1.00 0.00 C ATOM 1059 O MET A 64 -6.957 -34.665 8.853 1.00 0.00 O ATOM 1060 CB MET A 64 -8.376 -35.213 11.805 1.00 0.00 C ATOM 1061 CG MET A 64 -7.937 -33.756 11.904 1.00 0.00 C ATOM 1062 SD MET A 64 -8.770 -32.868 13.235 1.00 0.00 S ATOM 1063 CE MET A 64 -10.487 -33.026 12.747 1.00 0.00 C ATOM 0 H MET A 64 -5.712 -35.264 10.902 1.00 0.00 H new ATOM 0 HA MET A 64 -8.091 -37.011 10.663 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.450 -35.246 11.624 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.199 -35.700 12.764 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.860 -33.715 12.064 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.138 -33.255 10.957 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.108 -32.407 13.395 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.603 -32.699 11.714 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.796 -34.068 12.835 1.00 0.00 H new ATOM 1073 N GLU A 65 -9.041 -35.514 8.779 1.00 0.00 N ATOM 1074 CA GLU A 65 -9.365 -34.902 7.497 1.00 0.00 C ATOM 1075 C GLU A 65 -9.555 -33.398 7.647 1.00 0.00 C ATOM 1076 O GLU A 65 -10.179 -32.932 8.604 1.00 0.00 O ATOM 1077 CB GLU A 65 -10.642 -35.511 6.905 1.00 0.00 C ATOM 1078 CG GLU A 65 -10.549 -37.004 6.628 1.00 0.00 C ATOM 1079 CD GLU A 65 -11.786 -37.533 5.925 1.00 0.00 C ATOM 1080 OE1 GLU A 65 -11.824 -37.501 4.676 1.00 0.00 O ATOM 1081 OE2 GLU A 65 -12.726 -37.974 6.612 1.00 0.00 O ATOM 0 H GLU A 65 -9.790 -36.081 9.177 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.530 -35.095 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.469 -35.331 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.881 -34.994 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.671 -37.204 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.410 -37.539 7.568 1.00 0.00 H new ATOM 1088 N VAL A 66 -8.998 -32.649 6.709 1.00 0.00 N ATOM 1089 CA VAL A 66 -9.262 -31.223 6.594 1.00 0.00 C ATOM 1090 C VAL A 66 -9.778 -30.921 5.190 1.00 0.00 C ATOM 1091 O VAL A 66 -9.159 -31.305 4.196 1.00 0.00 O ATOM 1092 CB VAL A 66 -8.000 -30.371 6.903 1.00 0.00 C ATOM 1093 CG1 VAL A 66 -7.651 -30.447 8.389 1.00 0.00 C ATOM 1094 CG2 VAL A 66 -6.813 -30.824 6.055 1.00 0.00 C ATOM 0 H VAL A 66 -8.352 -33.011 6.008 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.017 -30.954 7.333 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.224 -29.335 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.765 -29.844 8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.486 -30.068 8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.453 -31.483 8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.943 -30.212 6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.590 -31.869 6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.058 -30.715 4.998 1.00 0.00 H new ATOM 1104 N SER A 67 -10.925 -30.255 5.118 1.00 0.00 N ATOM 1105 CA SER A 67 -11.562 -29.936 3.847 1.00 0.00 C ATOM 1106 C SER A 67 -10.960 -28.658 3.271 1.00 0.00 C ATOM 1107 O SER A 67 -11.001 -28.422 2.062 1.00 0.00 O ATOM 1108 CB SER A 67 -13.078 -29.782 4.052 1.00 0.00 C ATOM 1109 OG SER A 67 -13.768 -29.660 2.817 1.00 0.00 O ATOM 0 H SER A 67 -11.437 -29.923 5.935 1.00 0.00 H new ATOM 0 HA SER A 67 -11.388 -30.746 3.139 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.460 -30.644 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.274 -28.903 4.666 1.00 0.00 H new ATOM 0 HG SER A 67 -14.729 -29.566 2.987 1.00 0.00 H new ATOM 1115 N ASN A 68 -10.394 -27.844 4.153 1.00 0.00 N ATOM 1116 CA ASN A 68 -9.754 -26.593 3.765 1.00 0.00 C ATOM 1117 C ASN A 68 -8.755 -26.171 4.830 1.00 0.00 C ATOM 1118 O ASN A 68 -8.621 -26.826 5.867 1.00 0.00 O ATOM 1119 CB ASN A 68 -10.789 -25.484 3.563 1.00 0.00 C ATOM 1120 CG ASN A 68 -11.610 -25.237 4.811 1.00 0.00 C ATOM 1121 OD1 ASN A 68 -11.211 -24.478 5.689 1.00 0.00 O ATOM 1122 ND2 ASN A 68 -12.758 -25.880 4.895 1.00 0.00 N ATOM 0 H ASN A 68 -10.365 -28.032 5.155 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.236 -26.756 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.282 -24.563 3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.452 -25.753 2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.353 -25.756 5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.051 -26.502 4.141 1.00 0.00 H new ATOM 1129 N GLU A 69 -8.075 -25.061 4.583 1.00 0.00 N ATOM 1130 CA GLU A 69 -7.013 -24.605 5.474 1.00 0.00 C ATOM 1131 C GLU A 69 -7.568 -23.762 6.624 1.00 0.00 C ATOM 1132 O GLU A 69 -6.902 -23.582 7.644 1.00 0.00 O ATOM 1133 CB GLU A 69 -5.945 -23.836 4.688 1.00 0.00 C ATOM 1134 CG GLU A 69 -4.711 -23.490 5.517 1.00 0.00 C ATOM 1135 CD GLU A 69 -3.501 -23.172 4.660 1.00 0.00 C ATOM 1136 OE1 GLU A 69 -2.775 -24.117 4.283 1.00 0.00 O ATOM 1137 OE2 GLU A 69 -3.276 -21.982 4.350 1.00 0.00 O ATOM 0 H GLU A 69 -8.237 -24.459 3.776 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.545 -25.485 5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.640 -24.431 3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.382 -22.916 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.935 -22.635 6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.475 -24.326 6.176 1.00 0.00 H new ATOM 1144 N SER A 70 -8.794 -23.262 6.473 1.00 0.00 N ATOM 1145 CA SER A 70 -9.451 -22.539 7.559 1.00 0.00 C ATOM 1146 C SER A 70 -9.659 -23.493 8.734 1.00 0.00 C ATOM 1147 O SER A 70 -9.446 -23.132 9.894 1.00 0.00 O ATOM 1148 CB SER A 70 -10.793 -21.959 7.095 1.00 0.00 C ATOM 1149 OG SER A 70 -10.656 -21.289 5.850 1.00 0.00 O ATOM 0 H SER A 70 -9.346 -23.343 5.619 1.00 0.00 H new ATOM 0 HA SER A 70 -8.820 -21.706 7.870 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.526 -22.760 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.172 -21.265 7.845 1.00 0.00 H new ATOM 0 HG SER A 70 -11.525 -20.930 5.575 1.00 0.00 H new ATOM 1155 N GLU A 71 -10.048 -24.728 8.413 1.00 0.00 N ATOM 1156 CA GLU A 71 -10.186 -25.780 9.415 1.00 0.00 C ATOM 1157 C GLU A 71 -8.816 -26.145 9.977 1.00 0.00 C ATOM 1158 O GLU A 71 -8.681 -26.407 11.163 1.00 0.00 O ATOM 1159 CB GLU A 71 -10.849 -27.029 8.819 1.00 0.00 C ATOM 1160 CG GLU A 71 -12.229 -26.776 8.224 1.00 0.00 C ATOM 1161 CD GLU A 71 -12.892 -28.048 7.714 1.00 0.00 C ATOM 1162 OE1 GLU A 71 -12.170 -28.963 7.273 1.00 0.00 O ATOM 1163 OE2 GLU A 71 -14.138 -28.138 7.745 1.00 0.00 O ATOM 0 H GLU A 71 -10.273 -25.022 7.463 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.822 -25.403 10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.200 -27.437 8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.934 -27.788 9.596 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.867 -26.317 8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.141 -26.063 7.404 1.00 0.00 H new ATOM 1170 N ARG A 72 -7.802 -26.141 9.114 1.00 0.00 N ATOM 1171 CA ARG A 72 -6.429 -26.440 9.529 1.00 0.00 C ATOM 1172 C ARG A 72 -6.010 -25.523 10.680 1.00 0.00 C ATOM 1173 O ARG A 72 -5.271 -25.927 11.580 1.00 0.00 O ATOM 1174 CB ARG A 72 -5.469 -26.279 8.337 1.00 0.00 C ATOM 1175 CG ARG A 72 -4.003 -26.595 8.644 1.00 0.00 C ATOM 1176 CD ARG A 72 -3.116 -26.348 7.425 1.00 0.00 C ATOM 1177 NE ARG A 72 -1.705 -26.649 7.684 1.00 0.00 N ATOM 1178 CZ ARG A 72 -0.704 -26.316 6.858 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -0.945 -25.636 5.740 1.00 0.00 N ATOM 1180 NH2 ARG A 72 0.542 -26.665 7.153 1.00 0.00 N ATOM 0 H ARG A 72 -7.904 -25.934 8.120 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.384 -27.472 9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.804 -26.929 7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.536 -25.255 7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.662 -25.978 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.911 -27.634 8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.468 -26.960 6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.211 -25.307 7.116 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.471 -27.142 8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.899 -25.363 5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.176 -25.388 5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.737 -27.186 8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.305 -26.412 6.525 1.00 0.00 H new ATOM 1194 N ASN A 73 -6.510 -24.290 10.647 1.00 0.00 N ATOM 1195 CA ASN A 73 -6.237 -23.313 11.699 1.00 0.00 C ATOM 1196 C ASN A 73 -7.220 -23.480 12.861 1.00 0.00 C ATOM 1197 O ASN A 73 -6.828 -23.433 14.027 1.00 0.00 O ATOM 1198 CB ASN A 73 -6.319 -21.884 11.140 1.00 0.00 C ATOM 1199 CG ASN A 73 -5.264 -21.601 10.083 1.00 0.00 C ATOM 1200 OD1 ASN A 73 -4.164 -22.157 10.114 1.00 0.00 O ATOM 1201 ND2 ASN A 73 -5.588 -20.732 9.137 1.00 0.00 N ATOM 0 H ASN A 73 -7.110 -23.942 9.899 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.227 -23.487 12.071 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.308 -21.723 10.711 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.207 -21.172 11.958 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.918 -20.504 8.403 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.508 -20.291 9.143 1.00 0.00 H new ATOM 1208 N GLU A 74 -8.496 -23.690 12.532 1.00 0.00 N ATOM 1209 CA GLU A 74 -9.542 -23.854 13.544 1.00 0.00 C ATOM 1210 C GLU A 74 -9.229 -25.027 14.472 1.00 0.00 C ATOM 1211 O GLU A 74 -9.264 -24.889 15.696 1.00 0.00 O ATOM 1212 CB GLU A 74 -10.915 -24.055 12.877 1.00 0.00 C ATOM 1213 CG GLU A 74 -12.036 -24.382 13.862 1.00 0.00 C ATOM 1214 CD GLU A 74 -13.420 -24.318 13.235 1.00 0.00 C ATOM 1215 OE1 GLU A 74 -13.870 -23.199 12.906 1.00 0.00 O ATOM 1216 OE2 GLU A 74 -14.063 -25.378 13.077 1.00 0.00 O ATOM 0 H GLU A 74 -8.831 -23.751 11.570 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.574 -22.944 14.143 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.178 -23.151 12.328 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.839 -24.860 12.146 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.874 -25.380 14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.991 -23.685 14.699 1.00 0.00 H new ATOM 1223 N ILE A 75 -8.918 -26.171 13.880 1.00 0.00 N ATOM 1224 CA ILE A 75 -8.577 -27.376 14.628 1.00 0.00 C ATOM 1225 C ILE A 75 -7.365 -27.121 15.524 1.00 0.00 C ATOM 1226 O ILE A 75 -7.326 -27.559 16.675 1.00 0.00 O ATOM 1227 CB ILE A 75 -8.300 -28.558 13.662 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -9.548 -28.825 12.799 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -7.892 -29.813 14.435 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -9.308 -29.762 11.636 1.00 0.00 C ATOM 0 H ILE A 75 -8.894 -26.292 12.867 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.425 -27.642 15.259 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.469 -28.291 13.009 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.331 -29.242 13.432 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.921 -27.875 12.415 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.704 -30.627 13.735 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.987 -29.610 15.007 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.695 -30.098 15.115 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.236 -29.897 11.080 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.549 -29.339 10.978 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.966 -30.727 12.011 1.00 0.00 H new ATOM 1242 N PHE A 76 -6.392 -26.381 14.995 1.00 0.00 N ATOM 1243 CA PHE A 76 -5.217 -25.968 15.764 1.00 0.00 C ATOM 1244 C PHE A 76 -5.652 -25.198 17.016 1.00 0.00 C ATOM 1245 O PHE A 76 -5.120 -25.405 18.112 1.00 0.00 O ATOM 1246 CB PHE A 76 -4.297 -25.102 14.882 1.00 0.00 C ATOM 1247 CG PHE A 76 -3.093 -24.540 15.596 1.00 0.00 C ATOM 1248 CD1 PHE A 76 -1.931 -25.287 15.723 1.00 0.00 C ATOM 1249 CD2 PHE A 76 -3.122 -23.260 16.138 1.00 0.00 C ATOM 1250 CE1 PHE A 76 -0.827 -24.773 16.373 1.00 0.00 C ATOM 1251 CE2 PHE A 76 -2.020 -22.743 16.790 1.00 0.00 C ATOM 1252 CZ PHE A 76 -0.871 -23.500 16.907 1.00 0.00 C ATOM 0 H PHE A 76 -6.394 -26.053 14.029 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.664 -26.852 16.082 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.956 -25.701 14.037 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.879 -24.276 14.473 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.890 -26.283 15.308 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.017 -22.663 16.048 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.071 -25.366 16.464 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.057 -21.748 17.208 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.008 -23.097 17.416 1.00 0.00 H new ATOM 1262 N GLN A 77 -6.639 -24.326 16.839 1.00 0.00 N ATOM 1263 CA GLN A 77 -7.188 -23.536 17.938 1.00 0.00 C ATOM 1264 C GLN A 77 -7.946 -24.435 18.912 1.00 0.00 C ATOM 1265 O GLN A 77 -7.897 -24.230 20.126 1.00 0.00 O ATOM 1266 CB GLN A 77 -8.113 -22.444 17.390 1.00 0.00 C ATOM 1267 CG GLN A 77 -7.406 -21.457 16.466 1.00 0.00 C ATOM 1268 CD GLN A 77 -8.348 -20.417 15.883 1.00 0.00 C ATOM 1269 OE1 GLN A 77 -8.925 -20.610 14.811 1.00 0.00 O ATOM 1270 NE2 GLN A 77 -8.508 -19.301 16.579 1.00 0.00 N ATOM 0 H GLN A 77 -7.079 -24.147 15.937 1.00 0.00 H new ATOM 0 HA GLN A 77 -6.366 -23.062 18.474 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.935 -22.913 16.848 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.552 -21.898 18.225 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.613 -20.953 17.019 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.929 -22.005 15.653 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.014 -19.176 17.463 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.125 -18.567 16.231 1.00 0.00 H new ATOM 1279 N LYS A 78 -8.637 -25.441 18.372 1.00 0.00 N ATOM 1280 CA LYS A 78 -9.352 -26.420 19.191 1.00 0.00 C ATOM 1281 C LYS A 78 -8.373 -27.127 20.125 1.00 0.00 C ATOM 1282 O LYS A 78 -8.658 -27.340 21.304 1.00 0.00 O ATOM 1283 CB LYS A 78 -10.052 -27.461 18.303 1.00 0.00 C ATOM 1284 CG LYS A 78 -11.086 -26.887 17.341 1.00 0.00 C ATOM 1285 CD LYS A 78 -12.318 -26.352 18.065 1.00 0.00 C ATOM 1286 CE LYS A 78 -13.371 -25.854 17.082 1.00 0.00 C ATOM 1287 NZ LYS A 78 -14.610 -25.416 17.771 1.00 0.00 N ATOM 0 H LYS A 78 -8.716 -25.599 17.367 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.105 -25.894 19.778 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.296 -27.994 17.726 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.540 -28.195 18.944 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.632 -26.084 16.760 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.390 -27.659 16.634 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.744 -27.137 18.689 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.026 -25.539 18.730 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.964 -25.024 16.504 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.611 -26.648 16.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.300 -25.085 17.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.013 -26.214 18.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.387 -24.641 18.428 1.00 0.00 H new ATOM 1301 N ILE A 79 -7.207 -27.465 19.577 1.00 0.00 N ATOM 1302 CA ILE A 79 -6.145 -28.142 20.324 1.00 0.00 C ATOM 1303 C ILE A 79 -5.672 -27.284 21.502 1.00 0.00 C ATOM 1304 O ILE A 79 -5.215 -27.797 22.522 1.00 0.00 O ATOM 1305 CB ILE A 79 -4.939 -28.477 19.405 1.00 0.00 C ATOM 1306 CG1 ILE A 79 -5.384 -29.398 18.255 1.00 0.00 C ATOM 1307 CG2 ILE A 79 -3.806 -29.120 20.205 1.00 0.00 C ATOM 1308 CD1 ILE A 79 -4.291 -29.694 17.249 1.00 0.00 C ATOM 0 H ILE A 79 -6.971 -27.278 18.603 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.561 -29.073 20.709 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.563 -27.547 18.979 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.744 -30.338 18.674 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.225 -28.937 17.738 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.973 -29.345 19.539 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.474 -28.432 20.982 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.163 -30.042 20.665 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.681 -30.349 16.470 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.947 -28.762 16.801 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.457 -30.185 17.751 1.00 0.00 H new ATOM 1320 N SER A 80 -5.781 -25.973 21.350 1.00 0.00 N ATOM 1321 CA SER A 80 -5.367 -25.043 22.396 1.00 0.00 C ATOM 1322 C SER A 80 -6.391 -25.005 23.538 1.00 0.00 C ATOM 1323 O SER A 80 -6.077 -24.595 24.659 1.00 0.00 O ATOM 1324 CB SER A 80 -5.206 -23.644 21.801 1.00 0.00 C ATOM 1325 OG SER A 80 -4.313 -23.653 20.697 1.00 0.00 O ATOM 0 H SER A 80 -6.153 -25.526 20.512 1.00 0.00 H new ATOM 0 HA SER A 80 -4.415 -25.384 22.803 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.178 -23.268 21.482 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.835 -22.962 22.566 1.00 0.00 H new ATOM 0 HG SER A 80 -4.726 -24.128 19.946 1.00 0.00 H new ATOM 1331 N GLN A 81 -7.610 -25.456 23.250 1.00 0.00 N ATOM 1332 CA GLN A 81 -8.729 -25.326 24.185 1.00 0.00 C ATOM 1333 C GLN A 81 -8.757 -26.453 25.217 1.00 0.00 C ATOM 1334 O GLN A 81 -9.638 -26.486 26.078 1.00 0.00 O ATOM 1335 CB GLN A 81 -10.053 -25.285 23.413 1.00 0.00 C ATOM 1336 CG GLN A 81 -10.161 -24.102 22.459 1.00 0.00 C ATOM 1337 CD GLN A 81 -11.481 -24.046 21.709 1.00 0.00 C ATOM 1338 OE1 GLN A 81 -11.977 -22.965 21.389 1.00 0.00 O ATOM 1339 NE2 GLN A 81 -12.049 -25.202 21.394 1.00 0.00 N ATOM 0 H GLN A 81 -7.850 -25.917 22.372 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.592 -24.392 24.730 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.164 -26.210 22.847 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.878 -25.246 24.124 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.033 -23.178 23.023 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.345 -24.151 21.738 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.611 -26.079 21.675 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.924 -25.214 20.871 1.00 0.00 H new ATOM 1348 N LEU A 82 -7.792 -27.367 25.146 1.00 0.00 N ATOM 1349 CA LEU A 82 -7.759 -28.504 26.072 1.00 0.00 C ATOM 1350 C LEU A 82 -7.280 -28.056 27.450 1.00 0.00 C ATOM 1351 O LEU A 82 -7.517 -28.743 28.445 1.00 0.00 O ATOM 1352 CB LEU A 82 -6.840 -29.626 25.551 1.00 0.00 C ATOM 1353 CG LEU A 82 -6.806 -29.797 24.024 1.00 0.00 C ATOM 1354 CD1 LEU A 82 -5.873 -30.932 23.620 1.00 0.00 C ATOM 1355 CD2 LEU A 82 -8.207 -30.016 23.465 1.00 0.00 C ATOM 0 H LEU A 82 -7.031 -27.347 24.468 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.774 -28.894 26.148 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.826 -29.433 25.900 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.157 -30.568 25.998 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.415 -28.874 23.595 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.869 -31.030 22.534 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.863 -30.715 23.969 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.219 -31.864 24.067 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.153 -30.134 22.383 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.639 -30.914 23.907 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.833 -29.157 23.705 1.00 0.00 H new ATOM 1367 N ASP A 83 -6.561 -26.925 27.484 1.00 0.00 N ATOM 1368 CA ASP A 83 -6.005 -26.356 28.727 1.00 0.00 C ATOM 1369 C ASP A 83 -4.819 -27.180 29.248 1.00 0.00 C ATOM 1370 O ASP A 83 -3.890 -26.646 29.860 1.00 0.00 O ATOM 1371 CB ASP A 83 -7.091 -26.236 29.812 1.00 0.00 C ATOM 1372 CG ASP A 83 -6.570 -25.625 31.107 1.00 0.00 C ATOM 1373 OD1 ASP A 83 -6.485 -24.381 31.189 1.00 0.00 O ATOM 1374 OD2 ASP A 83 -6.254 -26.384 32.053 1.00 0.00 O ATOM 0 H ASP A 83 -6.347 -26.376 26.651 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.639 -25.357 28.488 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.911 -25.626 29.432 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.499 -27.225 30.021 1.00 0.00 H new ATOM 1379 N LYS A 84 -4.860 -28.481 28.989 1.00 0.00 N ATOM 1380 CA LYS A 84 -3.837 -29.421 29.433 1.00 0.00 C ATOM 1381 C LYS A 84 -2.707 -29.541 28.406 1.00 0.00 C ATOM 1382 O LYS A 84 -1.791 -30.352 28.564 1.00 0.00 O ATOM 1383 CB LYS A 84 -4.493 -30.785 29.655 1.00 0.00 C ATOM 1384 CG LYS A 84 -5.224 -31.311 28.419 1.00 0.00 C ATOM 1385 CD LYS A 84 -6.007 -32.585 28.710 1.00 0.00 C ATOM 1386 CE LYS A 84 -7.337 -32.324 29.419 1.00 0.00 C ATOM 1387 NZ LYS A 84 -7.198 -31.545 30.681 1.00 0.00 N ATOM 0 H LYS A 84 -5.613 -28.919 28.459 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.398 -29.057 30.362 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.729 -31.504 29.951 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.199 -30.711 30.482 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.905 -30.545 28.049 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.501 -31.504 27.627 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.198 -33.109 27.773 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.397 -33.246 29.326 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.001 -31.787 28.742 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.814 -33.279 29.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.088 -31.592 31.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.427 -31.945 31.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.982 -30.553 30.455 1.00 0.00 H new ATOM 1401 N VAL A 85 -2.784 -28.735 27.351 1.00 0.00 N ATOM 1402 CA VAL A 85 -1.791 -28.762 26.285 1.00 0.00 C ATOM 1403 C VAL A 85 -0.681 -27.747 26.563 1.00 0.00 C ATOM 1404 O VAL A 85 -0.947 -26.626 27.011 1.00 0.00 O ATOM 1405 CB VAL A 85 -2.441 -28.482 24.903 1.00 0.00 C ATOM 1406 CG1 VAL A 85 -3.080 -27.094 24.862 1.00 0.00 C ATOM 1407 CG2 VAL A 85 -1.422 -28.657 23.777 1.00 0.00 C ATOM 0 H VAL A 85 -3.529 -28.052 27.212 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.357 -29.762 26.258 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.236 -29.213 24.752 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.526 -26.928 23.882 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.852 -27.026 25.629 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.318 -26.337 25.047 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.901 -28.456 22.819 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.595 -27.962 23.923 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.042 -29.679 23.785 1.00 0.00 H new ATOM 1417 N VAL A 86 0.564 -28.151 26.322 1.00 0.00 N ATOM 1418 CA VAL A 86 1.718 -27.288 26.575 1.00 0.00 C ATOM 1419 C VAL A 86 2.405 -26.877 25.275 1.00 0.00 C ATOM 1420 O VAL A 86 3.211 -25.942 25.261 1.00 0.00 O ATOM 1421 CB VAL A 86 2.749 -27.975 27.506 1.00 0.00 C ATOM 1422 CG1 VAL A 86 2.140 -28.246 28.882 1.00 0.00 C ATOM 1423 CG2 VAL A 86 3.270 -29.267 26.879 1.00 0.00 C ATOM 0 H VAL A 86 0.801 -29.071 25.951 1.00 0.00 H new ATOM 0 HA VAL A 86 1.336 -26.395 27.070 1.00 0.00 H new ATOM 0 HB VAL A 86 3.593 -27.298 27.636 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.881 -28.729 29.519 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.830 -27.304 29.335 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.274 -28.899 28.774 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.992 -29.732 27.550 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.438 -29.951 26.711 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.752 -29.041 25.928 1.00 0.00 H new ATOM 1433 N GLN A 87 2.093 -27.572 24.185 1.00 0.00 N ATOM 1434 CA GLN A 87 2.677 -27.260 22.886 1.00 0.00 C ATOM 1435 C GLN A 87 1.771 -27.755 21.760 1.00 0.00 C ATOM 1436 O GLN A 87 1.316 -28.902 21.776 1.00 0.00 O ATOM 1437 CB GLN A 87 4.080 -27.879 22.769 1.00 0.00 C ATOM 1438 CG GLN A 87 4.810 -27.519 21.479 1.00 0.00 C ATOM 1439 CD GLN A 87 5.002 -26.019 21.290 1.00 0.00 C ATOM 1440 OE1 GLN A 87 5.005 -25.523 20.165 1.00 0.00 O ATOM 1441 NE2 GLN A 87 5.174 -25.289 22.385 1.00 0.00 N ATOM 0 H GLN A 87 1.439 -28.355 24.176 1.00 0.00 H new ATOM 0 HA GLN A 87 2.771 -26.178 22.796 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.682 -27.554 23.618 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.994 -28.964 22.836 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.785 -28.006 21.474 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.251 -27.916 20.631 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.165 -25.735 23.302 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.315 -24.282 22.309 1.00 0.00 H new ATOM 1450 N THR A 88 1.508 -26.876 20.795 1.00 0.00 N ATOM 1451 CA THR A 88 0.623 -27.178 19.676 1.00 0.00 C ATOM 1452 C THR A 88 1.356 -27.014 18.343 1.00 0.00 C ATOM 1453 O THR A 88 1.896 -25.940 18.057 1.00 0.00 O ATOM 1454 CB THR A 88 -0.607 -26.236 19.692 1.00 0.00 C ATOM 1455 OG1 THR A 88 -0.168 -24.867 19.693 1.00 0.00 O ATOM 1456 CG2 THR A 88 -1.485 -26.482 20.916 1.00 0.00 C ATOM 0 H THR A 88 1.903 -25.936 20.768 1.00 0.00 H new ATOM 0 HA THR A 88 0.295 -28.212 19.781 1.00 0.00 H new ATOM 0 HB THR A 88 -1.197 -26.442 18.799 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.357 -24.462 18.821 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.338 -25.804 20.894 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.840 -27.512 20.908 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.904 -26.306 21.822 1.00 0.00 H new ATOM 1464 N LEU A 89 1.393 -28.077 17.539 1.00 0.00 N ATOM 1465 CA LEU A 89 1.977 -28.012 16.197 1.00 0.00 C ATOM 1466 C LEU A 89 0.921 -28.376 15.155 1.00 0.00 C ATOM 1467 O LEU A 89 0.493 -29.529 15.071 1.00 0.00 O ATOM 1468 CB LEU A 89 3.188 -28.954 16.051 1.00 0.00 C ATOM 1469 CG LEU A 89 4.387 -28.679 16.981 1.00 0.00 C ATOM 1470 CD1 LEU A 89 4.098 -29.140 18.408 1.00 0.00 C ATOM 1471 CD2 LEU A 89 5.650 -29.352 16.443 1.00 0.00 C ATOM 0 H LEU A 89 1.026 -28.994 17.793 1.00 0.00 H new ATOM 0 HA LEU A 89 2.324 -26.991 16.038 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.849 -29.975 16.224 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.537 -28.904 15.020 1.00 0.00 H new ATOM 0 HG LEU A 89 4.552 -27.602 17.005 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.962 -28.933 19.039 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.230 -28.606 18.794 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.896 -30.211 18.410 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.485 -29.147 17.113 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.491 -30.429 16.381 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.876 -28.961 15.451 1.00 0.00 H new