USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 83 TYR OH : rot 180:sc= 0.00815 USER MOD Set 1.2: A 101 TYR OH : rot 133:sc= 0.00915 USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -0.874 F(o=-5.4!,f=-3.3) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -2.42! C(o=-3.3!,f=-11!) USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= 0.109 USER MOD Set 3.2: A 84 GLN :FLIP amide:sc= -0.763 F(o=-2.5,f=-0.65) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -119:sc= -1.54! (180deg=-5.45!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 78:sc= -0.372 USER MOD Single : A 48 SER OG : rot -150:sc= 0 USER MOD Single : A 52 THR OG1 : rot 140:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.29) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 1.3 (180deg=1.13) USER MOD Single : A 62 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.032) USER MOD Single : A 67 SER OG : rot 160:sc= 0.0147 USER MOD Single : A 70 SER OG : rot 26:sc= 0.134 USER MOD Single : A 71 THR OG1 : rot -58:sc= 0.0121 USER MOD Single : A 73 CYS SG : rot -130:sc= 0.584 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -0:sc= -0.533! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -134:sc= -0.187 (180deg=-2.38!) USER MOD Single : A 100 THR OG1 : rot 28:sc= 0.148 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.193 F(o=-1.8,f=-0.19) USER MOD Single : A 109 SER OG : rot 14:sc= 1.14 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.025 USER MOD ----------------------------------------------------------------- ATOM 244 N VAL A 19 0.560 20.522 2.144 1.00 0.00 N ATOM 245 CA VAL A 19 1.399 19.922 1.114 1.00 0.00 C ATOM 246 C VAL A 19 0.553 19.257 0.034 1.00 0.00 C ATOM 247 O VAL A 19 -0.590 18.868 0.278 1.00 0.00 O ATOM 248 CB VAL A 19 2.362 18.878 1.711 1.00 0.00 C ATOM 249 CG1 VAL A 19 1.590 17.673 2.226 1.00 0.00 C ATOM 250 CG2 VAL A 19 3.398 18.458 0.680 1.00 0.00 C ATOM 0 HA VAL A 19 1.981 20.730 0.670 1.00 0.00 H new ATOM 0 HB VAL A 19 2.885 19.331 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.287 16.946 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.891 17.992 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.038 17.216 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.070 17.720 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.896 18.023 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.972 19.329 0.365 1.00 0.00 H new ATOM 260 N ASP A 20 1.120 19.128 -1.160 1.00 0.00 N ATOM 261 CA ASP A 20 0.418 18.508 -2.278 1.00 0.00 C ATOM 262 C ASP A 20 0.878 17.067 -2.476 1.00 0.00 C ATOM 263 O ASP A 20 2.014 16.816 -2.879 1.00 0.00 O ATOM 264 CB ASP A 20 0.648 19.311 -3.559 1.00 0.00 C ATOM 265 CG ASP A 20 0.863 20.787 -3.288 1.00 0.00 C ATOM 266 OD1 ASP A 20 0.126 21.350 -2.452 1.00 0.00 O ATOM 267 OD2 ASP A 20 1.768 21.379 -3.912 1.00 0.00 O ATOM 0 H ASP A 20 2.065 19.445 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.648 18.502 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.516 18.911 -4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.210 19.187 -4.220 1.00 0.00 H new ATOM 272 N THR A 21 -0.012 16.123 -2.188 1.00 0.00 N ATOM 273 CA THR A 21 0.302 14.707 -2.332 1.00 0.00 C ATOM 274 C THR A 21 -0.735 13.999 -3.196 1.00 0.00 C ATOM 275 O THR A 21 -1.040 12.826 -2.981 1.00 0.00 O ATOM 276 CB THR A 21 0.378 14.006 -0.963 1.00 0.00 C ATOM 277 OG1 THR A 21 -0.919 13.972 -0.357 1.00 0.00 O ATOM 278 CG2 THR A 21 1.354 14.722 -0.042 1.00 0.00 C ATOM 0 H THR A 21 -0.957 16.314 -1.853 1.00 0.00 H new ATOM 0 HA THR A 21 1.277 14.647 -2.817 1.00 0.00 H new ATOM 0 HB THR A 21 0.732 12.987 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.862 13.523 0.512 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.391 14.209 0.919 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.347 14.721 -0.492 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.025 15.750 0.108 1.00 0.00 H new ATOM 286 N SER A 22 -1.275 14.718 -4.175 1.00 0.00 N ATOM 287 CA SER A 22 -2.281 14.159 -5.070 1.00 0.00 C ATOM 288 C SER A 22 -1.634 13.606 -6.336 1.00 0.00 C ATOM 289 O SER A 22 -2.318 13.094 -7.223 1.00 0.00 O ATOM 290 CB SER A 22 -3.317 15.224 -5.436 1.00 0.00 C ATOM 291 OG SER A 22 -2.718 16.297 -6.141 1.00 0.00 O ATOM 0 H SER A 22 -1.032 15.690 -4.368 1.00 0.00 H new ATOM 0 HA SER A 22 -2.780 13.341 -4.551 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.102 14.777 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.792 15.600 -4.530 1.00 0.00 H new ATOM 0 HG SER A 22 -3.401 16.963 -6.365 1.00 0.00 H new ATOM 297 N ARG A 23 -0.312 13.714 -6.413 1.00 0.00 N ATOM 298 CA ARG A 23 0.428 13.226 -7.571 1.00 0.00 C ATOM 299 C ARG A 23 1.379 12.101 -7.174 1.00 0.00 C ATOM 300 O ARG A 23 2.219 11.676 -7.968 1.00 0.00 O ATOM 301 CB ARG A 23 1.214 14.368 -8.218 1.00 0.00 C ATOM 302 CG ARG A 23 0.347 15.327 -9.017 1.00 0.00 C ATOM 303 CD ARG A 23 1.113 16.585 -9.397 1.00 0.00 C ATOM 304 NE ARG A 23 0.297 17.505 -10.185 1.00 0.00 N ATOM 305 CZ ARG A 23 0.805 18.437 -10.985 1.00 0.00 C ATOM 306 NH1 ARG A 23 2.119 18.571 -11.101 1.00 0.00 N ATOM 307 NH2 ARG A 23 -0.002 19.237 -11.670 1.00 0.00 N ATOM 0 H ARG A 23 0.269 14.135 -5.688 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.290 12.834 -8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.736 14.925 -7.440 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.976 13.947 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.010 14.831 -9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.532 15.598 -8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.456 17.088 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.002 16.311 -9.965 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.718 17.428 -10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.742 17.958 -10.576 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.506 19.287 -11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.013 19.137 -11.583 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.389 19.952 -12.284 1.00 0.00 H new ATOM 321 N ILE A 24 1.241 11.624 -5.942 1.00 0.00 N ATOM 322 CA ILE A 24 2.087 10.548 -5.440 1.00 0.00 C ATOM 323 C ILE A 24 1.622 9.193 -5.963 1.00 0.00 C ATOM 324 O ILE A 24 0.489 8.778 -5.720 1.00 0.00 O ATOM 325 CB ILE A 24 2.102 10.515 -3.900 1.00 0.00 C ATOM 326 CG1 ILE A 24 2.923 11.683 -3.351 1.00 0.00 C ATOM 327 CG2 ILE A 24 2.659 9.189 -3.405 1.00 0.00 C ATOM 328 CD1 ILE A 24 3.134 11.621 -1.854 1.00 0.00 C ATOM 0 H ILE A 24 0.551 11.966 -5.273 1.00 0.00 H new ATOM 0 HA ILE A 24 3.096 10.746 -5.800 1.00 0.00 H new ATOM 0 HB ILE A 24 1.078 10.614 -3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.894 11.699 -3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.422 12.618 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.663 9.180 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.036 8.373 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.677 9.062 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.724 12.480 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.168 11.636 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.663 10.703 -1.599 1.00 0.00 H new ATOM 340 N LYS A 25 2.505 8.507 -6.680 1.00 0.00 N ATOM 341 CA LYS A 25 2.188 7.197 -7.235 1.00 0.00 C ATOM 342 C LYS A 25 3.073 6.117 -6.622 1.00 0.00 C ATOM 343 O LYS A 25 4.192 6.390 -6.187 1.00 0.00 O ATOM 344 CB LYS A 25 2.360 7.209 -8.756 1.00 0.00 C ATOM 345 CG LYS A 25 1.181 7.816 -9.497 1.00 0.00 C ATOM 346 CD LYS A 25 0.065 6.803 -9.693 1.00 0.00 C ATOM 347 CE LYS A 25 -0.929 7.266 -10.747 1.00 0.00 C ATOM 348 NZ LYS A 25 -2.086 6.336 -10.865 1.00 0.00 N ATOM 0 H LYS A 25 3.447 8.837 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 25 1.149 6.971 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.262 7.767 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.510 6.187 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.802 8.673 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.512 8.187 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.490 5.844 -9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.453 6.644 -8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.289 8.263 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.426 7.344 -11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.740 6.687 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.745 5.390 -11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.581 6.281 -9.952 1.00 0.00 H new ATOM 362 N VAL A 26 2.565 4.889 -6.590 1.00 0.00 N ATOM 363 CA VAL A 26 3.311 3.767 -6.032 1.00 0.00 C ATOM 364 C VAL A 26 3.219 2.543 -6.936 1.00 0.00 C ATOM 365 O VAL A 26 2.147 2.210 -7.442 1.00 0.00 O ATOM 366 CB VAL A 26 2.798 3.395 -4.628 1.00 0.00 C ATOM 367 CG1 VAL A 26 2.986 4.557 -3.666 1.00 0.00 C ATOM 368 CG2 VAL A 26 1.337 2.974 -4.690 1.00 0.00 C ATOM 0 H VAL A 26 1.640 4.646 -6.944 1.00 0.00 H new ATOM 0 HA VAL A 26 4.351 4.083 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 26 3.381 2.551 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.618 4.276 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.045 4.807 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.430 5.422 -4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.990 2.714 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.738 3.797 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.235 2.109 -5.345 1.00 0.00 H new ATOM 378 N PHE A 27 4.351 1.875 -7.134 1.00 0.00 N ATOM 379 CA PHE A 27 4.399 0.686 -7.978 1.00 0.00 C ATOM 380 C PHE A 27 5.299 -0.381 -7.362 1.00 0.00 C ATOM 381 O PHE A 27 6.421 -0.098 -6.945 1.00 0.00 O ATOM 382 CB PHE A 27 4.902 1.048 -9.377 1.00 0.00 C ATOM 383 CG PHE A 27 6.049 2.016 -9.370 1.00 0.00 C ATOM 384 CD1 PHE A 27 7.334 1.586 -9.080 1.00 0.00 C ATOM 385 CD2 PHE A 27 5.844 3.357 -9.653 1.00 0.00 C ATOM 386 CE1 PHE A 27 8.392 2.476 -9.072 1.00 0.00 C ATOM 387 CE2 PHE A 27 6.898 4.251 -9.647 1.00 0.00 C ATOM 388 CZ PHE A 27 8.174 3.810 -9.357 1.00 0.00 C ATOM 0 H PHE A 27 5.247 2.136 -6.722 1.00 0.00 H new ATOM 0 HA PHE A 27 3.389 0.284 -8.056 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.209 0.137 -9.891 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.080 1.476 -9.951 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.511 0.544 -8.858 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.848 3.708 -9.881 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.389 2.128 -8.843 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.724 5.294 -9.869 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.000 4.506 -9.353 1.00 0.00 H new ATOM 398 N GLY A 28 4.797 -1.612 -7.308 1.00 0.00 N ATOM 399 CA GLY A 28 5.567 -2.703 -6.742 1.00 0.00 C ATOM 400 C GLY A 28 4.688 -3.815 -6.204 1.00 0.00 C ATOM 401 O GLY A 28 3.474 -3.665 -6.069 1.00 0.00 O ATOM 0 H GLY A 28 3.871 -1.872 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.233 -3.107 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.197 -2.321 -5.939 1.00 0.00 H new ATOM 405 N PRO A 29 5.306 -4.963 -5.889 1.00 0.00 N ATOM 406 CA PRO A 29 4.591 -6.128 -5.360 1.00 0.00 C ATOM 407 C PRO A 29 4.080 -5.899 -3.941 1.00 0.00 C ATOM 408 O PRO A 29 3.028 -6.411 -3.559 1.00 0.00 O ATOM 409 CB PRO A 29 5.650 -7.232 -5.375 1.00 0.00 C ATOM 410 CG PRO A 29 6.951 -6.510 -5.292 1.00 0.00 C ATOM 411 CD PRO A 29 6.751 -5.212 -6.024 1.00 0.00 C ATOM 0 HA PRO A 29 3.703 -6.363 -5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.522 -7.915 -4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.586 -7.830 -6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.234 -6.333 -4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.751 -7.095 -5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.340 -4.408 -5.584 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.049 -5.290 -7.069 1.00 0.00 H new ATOM 419 N GLY A 30 4.832 -5.125 -3.164 1.00 0.00 N ATOM 420 CA GLY A 30 4.438 -4.842 -1.796 1.00 0.00 C ATOM 421 C GLY A 30 3.103 -4.128 -1.713 1.00 0.00 C ATOM 422 O GLY A 30 2.427 -4.181 -0.685 1.00 0.00 O ATOM 0 H GLY A 30 5.706 -4.689 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.382 -5.776 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.204 -4.230 -1.320 1.00 0.00 H new ATOM 426 N ILE A 31 2.725 -3.457 -2.796 1.00 0.00 N ATOM 427 CA ILE A 31 1.463 -2.729 -2.840 1.00 0.00 C ATOM 428 C ILE A 31 0.510 -3.342 -3.861 1.00 0.00 C ATOM 429 O ILE A 31 -0.692 -3.078 -3.839 1.00 0.00 O ATOM 430 CB ILE A 31 1.681 -1.244 -3.184 1.00 0.00 C ATOM 431 CG1 ILE A 31 0.451 -0.422 -2.797 1.00 0.00 C ATOM 432 CG2 ILE A 31 1.987 -1.084 -4.666 1.00 0.00 C ATOM 433 CD1 ILE A 31 0.345 -0.157 -1.311 1.00 0.00 C ATOM 0 H ILE A 31 3.274 -3.402 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 31 1.022 -2.802 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 31 2.534 -0.876 -2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.479 0.530 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.445 -0.946 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.139 -0.029 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.890 -1.642 -4.913 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.152 -1.466 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.550 0.431 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.285 -1.105 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.224 0.394 -0.976 1.00 0.00 H new ATOM 445 N GLU A 32 1.056 -4.162 -4.754 1.00 0.00 N ATOM 446 CA GLU A 32 0.254 -4.813 -5.783 1.00 0.00 C ATOM 447 C GLU A 32 -0.241 -6.175 -5.306 1.00 0.00 C ATOM 448 O GLU A 32 -1.411 -6.517 -5.475 1.00 0.00 O ATOM 449 CB GLU A 32 1.067 -4.975 -7.069 1.00 0.00 C ATOM 450 CG GLU A 32 1.363 -3.660 -7.771 1.00 0.00 C ATOM 451 CD GLU A 32 0.260 -3.249 -8.727 1.00 0.00 C ATOM 452 OE1 GLU A 32 -0.446 -4.143 -9.238 1.00 0.00 O ATOM 453 OE2 GLU A 32 0.104 -2.033 -8.965 1.00 0.00 O ATOM 0 H GLU A 32 2.049 -4.391 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.611 -4.182 -5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.008 -5.472 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.524 -5.628 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.503 -2.878 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.301 -3.748 -8.320 1.00 0.00 H new ATOM 460 N GLY A 33 0.660 -6.951 -4.711 1.00 0.00 N ATOM 461 CA GLY A 33 0.298 -8.267 -4.219 1.00 0.00 C ATOM 462 C GLY A 33 0.810 -9.380 -5.112 1.00 0.00 C ATOM 463 O GLY A 33 0.072 -10.307 -5.448 1.00 0.00 O ATOM 0 H GLY A 33 1.635 -6.691 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.698 -8.399 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.787 -8.337 -4.142 1.00 0.00 H new ATOM 467 N LYS A 34 2.078 -9.290 -5.499 1.00 0.00 N ATOM 468 CA LYS A 34 2.689 -10.297 -6.358 1.00 0.00 C ATOM 469 C LYS A 34 3.469 -11.316 -5.533 1.00 0.00 C ATOM 470 O LYS A 34 3.069 -12.475 -5.422 1.00 0.00 O ATOM 471 CB LYS A 34 3.618 -9.632 -7.376 1.00 0.00 C ATOM 472 CG LYS A 34 3.068 -8.335 -7.944 1.00 0.00 C ATOM 473 CD LYS A 34 2.225 -8.582 -9.184 1.00 0.00 C ATOM 474 CE LYS A 34 0.765 -8.818 -8.826 1.00 0.00 C ATOM 475 NZ LYS A 34 0.477 -10.262 -8.600 1.00 0.00 N ATOM 0 H LYS A 34 2.703 -8.529 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 34 1.892 -10.818 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.579 -9.433 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.804 -10.327 -8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.465 -7.832 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.893 -7.666 -8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.303 -7.726 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.613 -9.446 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.515 -8.253 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.129 -8.442 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.233 -10.586 -9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.351 -10.813 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.112 -10.396 -7.635 1.00 0.00 H new ATOM 489 N ASP A 35 4.581 -10.876 -4.955 1.00 0.00 N ATOM 490 CA ASP A 35 5.415 -11.749 -4.138 1.00 0.00 C ATOM 491 C ASP A 35 5.257 -11.421 -2.656 1.00 0.00 C ATOM 492 O ASP A 35 6.179 -11.616 -1.865 1.00 0.00 O ATOM 493 CB ASP A 35 6.883 -11.619 -4.548 1.00 0.00 C ATOM 494 CG ASP A 35 7.278 -10.184 -4.836 1.00 0.00 C ATOM 495 OD1 ASP A 35 7.553 -9.439 -3.872 1.00 0.00 O ATOM 496 OD2 ASP A 35 7.312 -9.806 -6.026 1.00 0.00 O ATOM 0 H ASP A 35 4.926 -9.920 -5.037 1.00 0.00 H new ATOM 0 HA ASP A 35 5.090 -12.777 -4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.516 -12.015 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.065 -12.228 -5.434 1.00 0.00 H new ATOM 501 N VAL A 36 4.081 -10.921 -2.288 1.00 0.00 N ATOM 502 CA VAL A 36 3.802 -10.565 -0.902 1.00 0.00 C ATOM 503 C VAL A 36 3.377 -11.788 -0.097 1.00 0.00 C ATOM 504 O VAL A 36 2.889 -11.665 1.027 1.00 0.00 O ATOM 505 CB VAL A 36 2.700 -9.494 -0.809 1.00 0.00 C ATOM 506 CG1 VAL A 36 2.530 -9.027 0.629 1.00 0.00 C ATOM 507 CG2 VAL A 36 3.019 -8.321 -1.725 1.00 0.00 C ATOM 0 H VAL A 36 3.307 -10.754 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 36 4.725 -10.162 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 36 1.759 -9.936 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.747 -8.270 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.253 -9.874 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.468 -8.602 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.230 -7.573 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.970 -7.877 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.086 -8.671 -2.755 1.00 0.00 H new ATOM 517 N PHE A 37 3.565 -12.968 -0.678 1.00 0.00 N ATOM 518 CA PHE A 37 3.200 -14.214 -0.014 1.00 0.00 C ATOM 519 C PHE A 37 3.613 -14.189 1.455 1.00 0.00 C ATOM 520 O PHE A 37 4.586 -13.532 1.826 1.00 0.00 O ATOM 521 CB PHE A 37 3.856 -15.403 -0.720 1.00 0.00 C ATOM 522 CG PHE A 37 3.770 -15.333 -2.217 1.00 0.00 C ATOM 523 CD1 PHE A 37 2.570 -15.031 -2.842 1.00 0.00 C ATOM 524 CD2 PHE A 37 4.888 -15.570 -3.001 1.00 0.00 C ATOM 525 CE1 PHE A 37 2.488 -14.966 -4.221 1.00 0.00 C ATOM 526 CE2 PHE A 37 4.811 -15.506 -4.379 1.00 0.00 C ATOM 527 CZ PHE A 37 3.610 -15.205 -4.990 1.00 0.00 C ATOM 0 H PHE A 37 3.968 -13.088 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 37 2.117 -14.321 -0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.904 -15.456 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.382 -16.324 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.689 -14.844 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.830 -15.807 -2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.548 -14.729 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.690 -15.691 -4.978 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.548 -15.157 -6.067 1.00 0.00 H new ATOM 537 N ARG A 38 2.866 -14.909 2.285 1.00 0.00 N ATOM 538 CA ARG A 38 3.152 -14.968 3.714 1.00 0.00 C ATOM 539 C ARG A 38 4.621 -15.300 3.960 1.00 0.00 C ATOM 540 O ARG A 38 5.205 -16.128 3.263 1.00 0.00 O ATOM 541 CB ARG A 38 2.262 -16.012 4.391 1.00 0.00 C ATOM 542 CG ARG A 38 2.176 -15.852 5.900 1.00 0.00 C ATOM 543 CD ARG A 38 1.093 -16.740 6.493 1.00 0.00 C ATOM 544 NE ARG A 38 1.295 -16.968 7.922 1.00 0.00 N ATOM 545 CZ ARG A 38 0.714 -17.953 8.598 1.00 0.00 C ATOM 546 NH1 ARG A 38 -0.099 -18.798 7.978 1.00 0.00 N ATOM 547 NH2 ARG A 38 0.947 -18.095 9.896 1.00 0.00 N ATOM 0 H ARG A 38 2.058 -15.460 1.993 1.00 0.00 H new ATOM 0 HA ARG A 38 2.941 -13.988 4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.259 -15.950 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.643 -17.007 4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.138 -16.100 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.969 -14.810 6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.118 -16.279 6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.082 -17.697 5.971 1.00 0.00 H new ATOM 0 HE ARG A 38 1.916 -16.337 8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.279 -18.692 6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.544 -19.553 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.573 -17.448 10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.501 -18.851 10.415 1.00 0.00 H new ATOM 561 N GLU A 39 5.210 -14.646 4.957 1.00 0.00 N ATOM 562 CA GLU A 39 6.611 -14.871 5.294 1.00 0.00 C ATOM 563 C GLU A 39 7.515 -14.550 4.107 1.00 0.00 C ATOM 564 O GLU A 39 8.578 -15.148 3.943 1.00 0.00 O ATOM 565 CB GLU A 39 6.826 -16.321 5.735 1.00 0.00 C ATOM 566 CG GLU A 39 6.477 -16.572 7.192 1.00 0.00 C ATOM 567 CD GLU A 39 7.136 -15.578 8.129 1.00 0.00 C ATOM 568 OE1 GLU A 39 8.352 -15.713 8.379 1.00 0.00 O ATOM 569 OE2 GLU A 39 6.434 -14.665 8.613 1.00 0.00 O ATOM 0 H GLU A 39 4.740 -13.957 5.544 1.00 0.00 H new ATOM 0 HA GLU A 39 6.871 -14.206 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.222 -16.976 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.868 -16.592 5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.395 -16.521 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.782 -17.582 7.466 1.00 0.00 H new ATOM 576 N ALA A 40 7.083 -13.601 3.282 1.00 0.00 N ATOM 577 CA ALA A 40 7.852 -13.199 2.112 1.00 0.00 C ATOM 578 C ALA A 40 8.281 -11.739 2.212 1.00 0.00 C ATOM 579 O ALA A 40 7.521 -10.888 2.677 1.00 0.00 O ATOM 580 CB ALA A 40 7.043 -13.428 0.844 1.00 0.00 C ATOM 0 H ALA A 40 6.205 -13.097 3.403 1.00 0.00 H new ATOM 0 HA ALA A 40 8.752 -13.813 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.630 -13.123 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.792 -14.485 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.126 -12.840 0.886 1.00 0.00 H new ATOM 586 N THR A 41 9.503 -11.454 1.774 1.00 0.00 N ATOM 587 CA THR A 41 10.033 -10.097 1.816 1.00 0.00 C ATOM 588 C THR A 41 9.588 -9.295 0.599 1.00 0.00 C ATOM 589 O THR A 41 10.157 -9.423 -0.486 1.00 0.00 O ATOM 590 CB THR A 41 11.573 -10.097 1.881 1.00 0.00 C ATOM 591 OG1 THR A 41 12.016 -10.897 2.983 1.00 0.00 O ATOM 592 CG2 THR A 41 12.108 -8.681 2.028 1.00 0.00 C ATOM 0 H THR A 41 10.145 -12.145 1.386 1.00 0.00 H new ATOM 0 HA THR A 41 9.638 -9.631 2.719 1.00 0.00 H new ATOM 0 HB THR A 41 11.955 -10.517 0.951 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.995 -10.894 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.197 -8.706 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.793 -8.082 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.718 -8.238 2.945 1.00 0.00 H new ATOM 600 N THR A 42 8.566 -8.465 0.785 1.00 0.00 N ATOM 601 CA THR A 42 8.043 -7.641 -0.298 1.00 0.00 C ATOM 602 C THR A 42 8.133 -6.159 0.046 1.00 0.00 C ATOM 603 O THR A 42 7.986 -5.771 1.205 1.00 0.00 O ATOM 604 CB THR A 42 6.578 -7.995 -0.616 1.00 0.00 C ATOM 605 OG1 THR A 42 6.204 -7.440 -1.882 1.00 0.00 O ATOM 606 CG2 THR A 42 5.648 -7.472 0.468 1.00 0.00 C ATOM 0 H THR A 42 8.084 -8.346 1.676 1.00 0.00 H new ATOM 0 HA THR A 42 8.657 -7.845 -1.175 1.00 0.00 H new ATOM 0 HB THR A 42 6.489 -9.081 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.563 -7.998 -2.603 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.619 -7.734 0.222 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.917 -7.919 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.740 -6.388 0.535 1.00 0.00 H new ATOM 614 N ASP A 43 8.374 -5.335 -0.968 1.00 0.00 N ATOM 615 CA ASP A 43 8.482 -3.893 -0.772 1.00 0.00 C ATOM 616 C ASP A 43 8.026 -3.141 -2.018 1.00 0.00 C ATOM 617 O ASP A 43 8.150 -3.639 -3.137 1.00 0.00 O ATOM 618 CB ASP A 43 9.922 -3.510 -0.428 1.00 0.00 C ATOM 619 CG ASP A 43 10.828 -3.511 -1.644 1.00 0.00 C ATOM 620 OD1 ASP A 43 10.560 -4.289 -2.584 1.00 0.00 O ATOM 621 OD2 ASP A 43 11.804 -2.732 -1.657 1.00 0.00 O ATOM 0 H ASP A 43 8.498 -5.640 -1.933 1.00 0.00 H new ATOM 0 HA ASP A 43 7.833 -3.614 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.932 -2.520 0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.313 -4.207 0.313 1.00 0.00 H new ATOM 626 N PHE A 44 7.496 -1.939 -1.817 1.00 0.00 N ATOM 627 CA PHE A 44 7.019 -1.118 -2.923 1.00 0.00 C ATOM 628 C PHE A 44 7.869 0.141 -3.073 1.00 0.00 C ATOM 629 O PHE A 44 8.739 0.419 -2.246 1.00 0.00 O ATOM 630 CB PHE A 44 5.554 -0.735 -2.707 1.00 0.00 C ATOM 631 CG PHE A 44 5.301 -0.048 -1.396 1.00 0.00 C ATOM 632 CD1 PHE A 44 5.390 1.331 -1.292 1.00 0.00 C ATOM 633 CD2 PHE A 44 4.974 -0.781 -0.267 1.00 0.00 C ATOM 634 CE1 PHE A 44 5.158 1.966 -0.087 1.00 0.00 C ATOM 635 CE2 PHE A 44 4.740 -0.151 0.941 1.00 0.00 C ATOM 636 CZ PHE A 44 4.833 1.224 1.032 1.00 0.00 C ATOM 0 H PHE A 44 7.386 -1.512 -0.897 1.00 0.00 H new ATOM 0 HA PHE A 44 7.103 -1.703 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.234 -0.081 -3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.940 -1.634 -2.761 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.644 1.916 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.901 -1.857 -0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.231 3.041 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.484 -0.734 1.814 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.652 1.718 1.975 1.00 0.00 H new ATOM 646 N THR A 45 7.612 0.899 -4.134 1.00 0.00 N ATOM 647 CA THR A 45 8.353 2.127 -4.394 1.00 0.00 C ATOM 648 C THR A 45 7.416 3.326 -4.483 1.00 0.00 C ATOM 649 O THR A 45 6.389 3.276 -5.161 1.00 0.00 O ATOM 650 CB THR A 45 9.166 2.027 -5.698 1.00 0.00 C ATOM 651 OG1 THR A 45 10.008 0.869 -5.662 1.00 0.00 O ATOM 652 CG2 THR A 45 10.015 3.272 -5.903 1.00 0.00 C ATOM 0 H THR A 45 6.896 0.684 -4.828 1.00 0.00 H new ATOM 0 HA THR A 45 9.038 2.266 -3.558 1.00 0.00 H new ATOM 0 HB THR A 45 8.468 1.942 -6.531 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.521 0.811 -6.495 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.580 3.178 -6.830 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.369 4.148 -5.959 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.705 3.383 -5.067 1.00 0.00 H new ATOM 660 N VAL A 46 7.776 4.405 -3.796 1.00 0.00 N ATOM 661 CA VAL A 46 6.968 5.619 -3.799 1.00 0.00 C ATOM 662 C VAL A 46 7.623 6.713 -4.635 1.00 0.00 C ATOM 663 O VAL A 46 8.735 7.152 -4.340 1.00 0.00 O ATOM 664 CB VAL A 46 6.741 6.146 -2.370 1.00 0.00 C ATOM 665 CG1 VAL A 46 5.963 7.453 -2.400 1.00 0.00 C ATOM 666 CG2 VAL A 46 6.019 5.106 -1.527 1.00 0.00 C ATOM 0 H VAL A 46 8.622 4.463 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 46 6.005 5.357 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 46 7.712 6.339 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.812 7.810 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.523 8.197 -2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.995 7.290 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.867 5.495 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.053 4.879 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.619 4.197 -1.478 1.00 0.00 H new ATOM 676 N ASP A 47 6.926 7.149 -5.679 1.00 0.00 N ATOM 677 CA ASP A 47 7.439 8.194 -6.557 1.00 0.00 C ATOM 678 C ASP A 47 7.037 9.576 -6.052 1.00 0.00 C ATOM 679 O ASP A 47 5.854 9.856 -5.858 1.00 0.00 O ATOM 680 CB ASP A 47 6.925 7.989 -7.983 1.00 0.00 C ATOM 681 CG ASP A 47 7.884 8.526 -9.027 1.00 0.00 C ATOM 682 OD1 ASP A 47 8.412 9.640 -8.830 1.00 0.00 O ATOM 683 OD2 ASP A 47 8.106 7.832 -10.042 1.00 0.00 O ATOM 0 H ASP A 47 6.005 6.795 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 47 8.527 8.131 -6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.761 6.926 -8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.959 8.483 -8.093 1.00 0.00 H new ATOM 688 N SER A 48 8.028 10.435 -5.839 1.00 0.00 N ATOM 689 CA SER A 48 7.778 11.786 -5.351 1.00 0.00 C ATOM 690 C SER A 48 8.570 12.811 -6.158 1.00 0.00 C ATOM 691 O SER A 48 9.685 12.539 -6.603 1.00 0.00 O ATOM 692 CB SER A 48 8.145 11.892 -3.870 1.00 0.00 C ATOM 693 OG SER A 48 7.842 10.691 -3.182 1.00 0.00 O ATOM 0 H SER A 48 9.012 10.219 -5.997 1.00 0.00 H new ATOM 0 HA SER A 48 6.716 11.998 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.208 12.114 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.603 12.721 -3.416 1.00 0.00 H new ATOM 0 HG SER A 48 7.623 10.895 -2.249 1.00 0.00 H new ATOM 699 N ARG A 49 7.985 13.990 -6.342 1.00 0.00 N ATOM 700 CA ARG A 49 8.635 15.055 -7.095 1.00 0.00 C ATOM 701 C ARG A 49 8.503 16.392 -6.371 1.00 0.00 C ATOM 702 O ARG A 49 9.468 16.928 -5.826 1.00 0.00 O ATOM 703 CB ARG A 49 8.029 15.161 -8.496 1.00 0.00 C ATOM 704 CG ARG A 49 8.817 14.411 -9.558 1.00 0.00 C ATOM 705 CD ARG A 49 8.368 12.962 -9.665 1.00 0.00 C ATOM 706 NE ARG A 49 9.025 12.266 -10.769 1.00 0.00 N ATOM 707 CZ ARG A 49 10.282 11.841 -10.726 1.00 0.00 C ATOM 708 NH1 ARG A 49 11.016 12.040 -9.639 1.00 0.00 N ATOM 709 NH2 ARG A 49 10.809 11.216 -11.771 1.00 0.00 N ATOM 0 H ARG A 49 7.062 14.231 -5.980 1.00 0.00 H new ATOM 0 HA ARG A 49 9.694 14.810 -7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.010 14.776 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.966 16.212 -8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.691 14.904 -10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.880 14.447 -9.318 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.585 12.445 -8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.288 12.927 -9.806 1.00 0.00 H new ATOM 0 HE ARG A 49 8.488 12.097 -11.620 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.615 12.521 -8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.981 11.712 -9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.248 11.061 -12.609 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.775 10.890 -11.736 1.00 0.00 H new ATOM 723 N PRO A 50 7.280 16.944 -6.364 1.00 0.00 N ATOM 724 CA PRO A 50 6.993 18.224 -5.711 1.00 0.00 C ATOM 725 C PRO A 50 7.065 18.128 -4.191 1.00 0.00 C ATOM 726 O PRO A 50 6.792 19.099 -3.483 1.00 0.00 O ATOM 727 CB PRO A 50 5.564 18.539 -6.160 1.00 0.00 C ATOM 728 CG PRO A 50 4.962 17.212 -6.467 1.00 0.00 C ATOM 729 CD PRO A 50 6.084 16.360 -6.994 1.00 0.00 C ATOM 0 HA PRO A 50 7.718 18.991 -5.982 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.008 19.054 -5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.558 19.188 -7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.521 16.768 -5.575 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.164 17.306 -7.204 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.956 15.313 -6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.142 16.400 -8.082 1.00 0.00 H new ATOM 737 N LEU A 51 7.433 16.952 -3.694 1.00 0.00 N ATOM 738 CA LEU A 51 7.541 16.729 -2.256 1.00 0.00 C ATOM 739 C LEU A 51 9.002 16.627 -1.829 1.00 0.00 C ATOM 740 O LEU A 51 9.391 17.140 -0.779 1.00 0.00 O ATOM 741 CB LEU A 51 6.792 15.455 -1.860 1.00 0.00 C ATOM 742 CG LEU A 51 5.488 15.183 -2.611 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.764 13.989 -2.008 1.00 0.00 C ATOM 744 CD2 LEU A 51 4.595 16.415 -2.594 1.00 0.00 C ATOM 0 H LEU A 51 7.662 16.138 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 51 7.091 17.581 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.458 14.605 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.571 15.504 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 51 5.730 14.949 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.838 13.810 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.400 13.106 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.534 14.193 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.672 16.203 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.360 16.680 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.112 17.246 -3.074 1.00 0.00 H new ATOM 756 N THR A 52 9.809 15.963 -2.651 1.00 0.00 N ATOM 757 CA THR A 52 11.227 15.794 -2.360 1.00 0.00 C ATOM 758 C THR A 52 12.042 15.685 -3.643 1.00 0.00 C ATOM 759 O THR A 52 11.495 15.439 -4.718 1.00 0.00 O ATOM 760 CB THR A 52 11.478 14.543 -1.497 1.00 0.00 C ATOM 761 OG1 THR A 52 12.785 14.604 -0.915 1.00 0.00 O ATOM 762 CG2 THR A 52 11.347 13.277 -2.330 1.00 0.00 C ATOM 0 H THR A 52 9.504 15.533 -3.524 1.00 0.00 H new ATOM 0 HA THR A 52 11.544 16.678 -1.806 1.00 0.00 H new ATOM 0 HB THR A 52 10.729 14.518 -0.705 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.747 14.278 0.009 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.528 12.406 -1.700 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.342 13.219 -2.748 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.076 13.297 -3.140 1.00 0.00 H new ATOM 770 N GLN A 53 13.353 15.868 -3.523 1.00 0.00 N ATOM 771 CA GLN A 53 14.244 15.790 -4.675 1.00 0.00 C ATOM 772 C GLN A 53 15.424 14.867 -4.389 1.00 0.00 C ATOM 773 O GLN A 53 15.934 14.198 -5.288 1.00 0.00 O ATOM 774 CB GLN A 53 14.751 17.184 -5.050 1.00 0.00 C ATOM 775 CG GLN A 53 13.641 18.157 -5.416 1.00 0.00 C ATOM 776 CD GLN A 53 13.074 18.877 -4.209 1.00 0.00 C ATOM 777 OE1 GLN A 53 13.802 19.535 -3.466 1.00 0.00 O ATOM 778 NE2 GLN A 53 11.767 18.755 -4.007 1.00 0.00 N ATOM 0 H GLN A 53 13.822 16.071 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 53 13.679 15.379 -5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.319 17.592 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.439 17.097 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.025 18.891 -6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.841 17.616 -5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.201 18.199 -4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.329 19.217 -3.210 1.00 0.00 H new ATOM 787 N VAL A 54 15.853 14.836 -3.131 1.00 0.00 N ATOM 788 CA VAL A 54 16.973 13.994 -2.726 1.00 0.00 C ATOM 789 C VAL A 54 16.593 13.104 -1.549 1.00 0.00 C ATOM 790 O VAL A 54 17.386 12.899 -0.631 1.00 0.00 O ATOM 791 CB VAL A 54 18.201 14.841 -2.341 1.00 0.00 C ATOM 792 CG1 VAL A 54 18.594 15.763 -3.485 1.00 0.00 C ATOM 793 CG2 VAL A 54 17.922 15.636 -1.075 1.00 0.00 C ATOM 0 H VAL A 54 15.442 15.384 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 54 17.226 13.369 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 54 19.037 14.170 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 54 19.463 16.353 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.837 15.168 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.763 16.430 -3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 54 18.799 16.229 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.073 16.298 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.694 14.951 -0.258 1.00 0.00 H new ATOM 803 N GLY A 55 15.374 12.575 -1.583 1.00 0.00 N ATOM 804 CA GLY A 55 14.910 11.712 -0.512 1.00 0.00 C ATOM 805 C GLY A 55 14.674 12.466 0.781 1.00 0.00 C ATOM 806 O GLY A 55 15.128 13.599 0.938 1.00 0.00 O ATOM 0 H GLY A 55 14.700 12.728 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.985 11.224 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.644 10.925 -0.341 1.00 0.00 H new ATOM 810 N GLY A 56 13.960 11.838 1.710 1.00 0.00 N ATOM 811 CA GLY A 56 13.676 12.473 2.983 1.00 0.00 C ATOM 812 C GLY A 56 13.243 11.480 4.043 1.00 0.00 C ATOM 813 O GLY A 56 13.435 10.273 3.888 1.00 0.00 O ATOM 0 H GLY A 56 13.573 10.900 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.564 13.003 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.893 13.219 2.847 1.00 0.00 H new ATOM 817 N ASP A 57 12.660 11.987 5.124 1.00 0.00 N ATOM 818 CA ASP A 57 12.200 11.135 6.215 1.00 0.00 C ATOM 819 C ASP A 57 10.803 11.545 6.671 1.00 0.00 C ATOM 820 O ASP A 57 10.486 11.491 7.860 1.00 0.00 O ATOM 821 CB ASP A 57 13.175 11.204 7.391 1.00 0.00 C ATOM 822 CG ASP A 57 13.053 10.009 8.315 1.00 0.00 C ATOM 823 OD1 ASP A 57 13.352 8.882 7.869 1.00 0.00 O ATOM 824 OD2 ASP A 57 12.658 10.201 9.484 1.00 0.00 O ATOM 0 H ASP A 57 12.495 12.983 5.268 1.00 0.00 H new ATOM 0 HA ASP A 57 12.157 10.109 5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.195 11.263 7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.993 12.117 7.957 1.00 0.00 H new ATOM 829 N HIS A 58 9.972 11.957 5.719 1.00 0.00 N ATOM 830 CA HIS A 58 8.608 12.377 6.024 1.00 0.00 C ATOM 831 C HIS A 58 7.600 11.337 5.545 1.00 0.00 C ATOM 832 O HIS A 58 6.424 11.644 5.348 1.00 0.00 O ATOM 833 CB HIS A 58 8.312 13.729 5.374 1.00 0.00 C ATOM 834 CG HIS A 58 8.774 14.899 6.187 1.00 0.00 C ATOM 835 ND1 HIS A 58 7.909 15.754 6.835 1.00 0.00 N ATOM 836 CD2 HIS A 58 10.021 15.352 6.457 1.00 0.00 C ATOM 837 CE1 HIS A 58 8.603 16.684 7.467 1.00 0.00 C ATOM 838 NE2 HIS A 58 9.888 16.462 7.254 1.00 0.00 N ATOM 0 H HIS A 58 10.218 12.009 4.731 1.00 0.00 H new ATOM 0 HA HIS A 58 8.516 12.474 7.106 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.791 13.765 4.396 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.238 13.815 5.206 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.948 14.920 6.110 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.190 17.489 8.057 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.656 17.024 7.622 1.00 0.00 H new ATOM 846 N ILE A 59 8.068 10.107 5.360 1.00 0.00 N ATOM 847 CA ILE A 59 7.207 9.023 4.905 1.00 0.00 C ATOM 848 C ILE A 59 6.864 8.076 6.050 1.00 0.00 C ATOM 849 O ILE A 59 7.693 7.812 6.922 1.00 0.00 O ATOM 850 CB ILE A 59 7.866 8.219 3.769 1.00 0.00 C ATOM 851 CG1 ILE A 59 7.963 9.071 2.502 1.00 0.00 C ATOM 852 CG2 ILE A 59 7.081 6.945 3.497 1.00 0.00 C ATOM 853 CD1 ILE A 59 6.641 9.666 2.070 1.00 0.00 C ATOM 0 H ILE A 59 9.039 9.837 5.518 1.00 0.00 H new ATOM 0 HA ILE A 59 6.293 9.483 4.530 1.00 0.00 H new ATOM 0 HB ILE A 59 8.874 7.943 4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.677 9.877 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.358 8.459 1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.559 6.388 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.058 6.332 4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.062 7.201 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.786 10.257 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.930 8.865 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.253 10.305 2.863 1.00 0.00 H new ATOM 865 N LYS A 60 5.637 7.566 6.042 1.00 0.00 N ATOM 866 CA LYS A 60 5.184 6.645 7.077 1.00 0.00 C ATOM 867 C LYS A 60 4.106 5.709 6.539 1.00 0.00 C ATOM 868 O LYS A 60 3.261 6.113 5.741 1.00 0.00 O ATOM 869 CB LYS A 60 4.644 7.423 8.279 1.00 0.00 C ATOM 870 CG LYS A 60 4.355 6.550 9.489 1.00 0.00 C ATOM 871 CD LYS A 60 2.932 6.020 9.467 1.00 0.00 C ATOM 872 CE LYS A 60 2.573 5.330 10.774 1.00 0.00 C ATOM 873 NZ LYS A 60 3.254 4.012 10.910 1.00 0.00 N ATOM 0 H LYS A 60 4.938 7.775 5.329 1.00 0.00 H new ATOM 0 HA LYS A 60 6.037 6.045 7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.366 8.190 8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.729 7.938 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.055 5.715 9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.516 7.125 10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.239 6.842 9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.817 5.319 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.851 5.970 11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.493 5.188 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.858 3.499 11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.107 3.454 10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.273 4.161 11.057 1.00 0.00 H new ATOM 887 N ALA A 61 4.142 4.456 6.982 1.00 0.00 N ATOM 888 CA ALA A 61 3.167 3.464 6.547 1.00 0.00 C ATOM 889 C ALA A 61 2.694 2.610 7.718 1.00 0.00 C ATOM 890 O ALA A 61 3.382 2.492 8.732 1.00 0.00 O ATOM 891 CB ALA A 61 3.759 2.585 5.455 1.00 0.00 C ATOM 0 H ALA A 61 4.836 4.104 7.642 1.00 0.00 H new ATOM 0 HA ALA A 61 2.303 3.992 6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.020 1.849 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.041 3.204 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.641 2.072 5.839 1.00 0.00 H new ATOM 897 N HIS A 62 1.514 2.014 7.571 1.00 0.00 N ATOM 898 CA HIS A 62 0.949 1.170 8.618 1.00 0.00 C ATOM 899 C HIS A 62 0.073 0.075 8.018 1.00 0.00 C ATOM 900 O HIS A 62 -0.998 0.350 7.476 1.00 0.00 O ATOM 901 CB HIS A 62 0.132 2.014 9.597 1.00 0.00 C ATOM 902 CG HIS A 62 -0.594 1.202 10.626 1.00 0.00 C ATOM 903 ND1 HIS A 62 -0.125 1.022 11.910 1.00 0.00 N ATOM 904 CD2 HIS A 62 -1.763 0.523 10.554 1.00 0.00 C ATOM 905 CE1 HIS A 62 -0.973 0.265 12.583 1.00 0.00 C ATOM 906 NE2 HIS A 62 -1.976 -0.051 11.783 1.00 0.00 N ATOM 0 H HIS A 62 0.932 2.100 6.738 1.00 0.00 H new ATOM 0 HA HIS A 62 1.772 0.699 9.155 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.796 2.715 10.102 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.591 2.607 9.037 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.408 0.447 9.691 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.865 -0.043 13.612 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.778 -0.628 12.037 1.00 0.00 H new ATOM 914 N ILE A 63 0.535 -1.167 8.118 1.00 0.00 N ATOM 915 CA ILE A 63 -0.207 -2.303 7.585 1.00 0.00 C ATOM 916 C ILE A 63 -1.225 -2.818 8.597 1.00 0.00 C ATOM 917 O ILE A 63 -0.988 -2.784 9.804 1.00 0.00 O ATOM 918 CB ILE A 63 0.735 -3.456 7.190 1.00 0.00 C ATOM 919 CG1 ILE A 63 1.739 -2.984 6.136 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.066 -4.642 6.674 1.00 0.00 C ATOM 921 CD1 ILE A 63 3.055 -3.730 6.179 1.00 0.00 C ATOM 0 H ILE A 63 1.419 -1.412 8.563 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.728 -1.950 6.695 1.00 0.00 H new ATOM 0 HB ILE A 63 1.287 -3.774 8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.297 -3.100 5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.929 -1.920 6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.614 -5.448 6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.745 -4.989 7.453 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.642 -4.339 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.718 -3.343 5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.519 -3.593 7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.877 -4.792 6.007 1.00 0.00 H new ATOM 933 N ALA A 64 -2.359 -3.296 8.096 1.00 0.00 N ATOM 934 CA ALA A 64 -3.412 -3.822 8.955 1.00 0.00 C ATOM 935 C ALA A 64 -3.938 -5.153 8.428 1.00 0.00 C ATOM 936 O ALA A 64 -4.635 -5.198 7.415 1.00 0.00 O ATOM 937 CB ALA A 64 -4.547 -2.815 9.077 1.00 0.00 C ATOM 0 H ALA A 64 -2.572 -3.330 7.099 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.987 -3.995 9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.326 -3.222 9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.167 -1.889 9.507 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.962 -2.613 8.089 1.00 0.00 H new ATOM 943 N ASN A 65 -3.599 -6.234 9.122 1.00 0.00 N ATOM 944 CA ASN A 65 -4.036 -7.567 8.722 1.00 0.00 C ATOM 945 C ASN A 65 -5.549 -7.709 8.866 1.00 0.00 C ATOM 946 O ASN A 65 -6.188 -7.026 9.666 1.00 0.00 O ATOM 947 CB ASN A 65 -3.330 -8.632 9.563 1.00 0.00 C ATOM 948 CG ASN A 65 -1.879 -8.818 9.161 1.00 0.00 C ATOM 949 OD1 ASN A 65 -1.036 -9.159 10.128 1.00 0.00 O flip ATOM 950 ND2 ASN A 65 -1.522 -8.657 7.994 1.00 0.00 N flip ATOM 0 H ASN A 65 -3.023 -6.214 9.964 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.773 -7.709 7.674 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.380 -8.352 10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.857 -9.581 9.460 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.205 -8.395 7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.543 -8.786 7.738 1.00 0.00 H new ATOM 957 N PRO A 66 -6.136 -8.619 8.075 1.00 0.00 N ATOM 958 CA PRO A 66 -7.579 -8.874 8.096 1.00 0.00 C ATOM 959 C PRO A 66 -8.027 -9.560 9.382 1.00 0.00 C ATOM 960 O PRO A 66 -9.219 -9.784 9.594 1.00 0.00 O ATOM 961 CB PRO A 66 -7.794 -9.797 6.895 1.00 0.00 C ATOM 962 CG PRO A 66 -6.481 -10.472 6.695 1.00 0.00 C ATOM 963 CD PRO A 66 -5.435 -9.469 7.097 1.00 0.00 C ATOM 0 HA PRO A 66 -8.157 -7.951 8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.586 -10.521 7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.088 -9.233 6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.410 -11.375 7.302 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.352 -10.775 5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.563 -9.952 7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.082 -8.892 6.242 1.00 0.00 H new ATOM 971 N SER A 67 -7.065 -9.891 10.237 1.00 0.00 N ATOM 972 CA SER A 67 -7.361 -10.555 11.502 1.00 0.00 C ATOM 973 C SER A 67 -7.333 -9.559 12.658 1.00 0.00 C ATOM 974 O SER A 67 -7.864 -9.826 13.734 1.00 0.00 O ATOM 975 CB SER A 67 -6.356 -11.680 11.758 1.00 0.00 C ATOM 976 OG SER A 67 -6.613 -12.794 10.920 1.00 0.00 O ATOM 0 H SER A 67 -6.074 -9.710 10.077 1.00 0.00 H new ATOM 0 HA SER A 67 -8.363 -10.980 11.436 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.344 -11.315 11.583 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.407 -11.987 12.803 1.00 0.00 H new ATOM 0 HG SER A 67 -5.807 -13.348 10.856 1.00 0.00 H new ATOM 982 N GLY A 68 -6.707 -8.409 12.425 1.00 0.00 N ATOM 983 CA GLY A 68 -6.620 -7.391 13.455 1.00 0.00 C ATOM 984 C GLY A 68 -5.188 -7.075 13.839 1.00 0.00 C ATOM 985 O GLY A 68 -4.929 -6.104 14.550 1.00 0.00 O ATOM 0 H GLY A 68 -6.259 -8.165 11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.108 -6.482 13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.164 -7.725 14.338 1.00 0.00 H new ATOM 989 N ALA A 69 -4.256 -7.897 13.369 1.00 0.00 N ATOM 990 CA ALA A 69 -2.843 -7.700 13.667 1.00 0.00 C ATOM 991 C ALA A 69 -2.239 -6.620 12.776 1.00 0.00 C ATOM 992 O ALA A 69 -2.849 -6.202 11.792 1.00 0.00 O ATOM 993 CB ALA A 69 -2.082 -9.008 13.504 1.00 0.00 C ATOM 0 H ALA A 69 -4.454 -8.706 12.780 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.758 -7.369 14.702 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.028 -8.846 13.730 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.489 -9.753 14.187 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.183 -9.362 12.478 1.00 0.00 H new ATOM 999 N SER A 70 -1.039 -6.172 13.128 1.00 0.00 N ATOM 1000 CA SER A 70 -0.355 -5.136 12.363 1.00 0.00 C ATOM 1001 C SER A 70 1.092 -5.532 12.086 1.00 0.00 C ATOM 1002 O SER A 70 1.835 -5.895 12.998 1.00 0.00 O ATOM 1003 CB SER A 70 -0.396 -3.805 13.115 1.00 0.00 C ATOM 1004 OG SER A 70 0.145 -3.938 14.418 1.00 0.00 O ATOM 0 H SER A 70 -0.520 -6.510 13.938 1.00 0.00 H new ATOM 0 HA SER A 70 -0.872 -5.022 11.410 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.165 -3.053 12.560 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.425 -3.452 13.180 1.00 0.00 H new ATOM 0 HG SER A 70 0.783 -4.681 14.433 1.00 0.00 H new ATOM 1010 N THR A 71 1.487 -5.459 10.818 1.00 0.00 N ATOM 1011 CA THR A 71 2.844 -5.811 10.419 1.00 0.00 C ATOM 1012 C THR A 71 3.754 -4.588 10.428 1.00 0.00 C ATOM 1013 O THR A 71 3.327 -3.483 10.094 1.00 0.00 O ATOM 1014 CB THR A 71 2.870 -6.445 9.015 1.00 0.00 C ATOM 1015 OG1 THR A 71 1.976 -7.563 8.966 1.00 0.00 O ATOM 1016 CG2 THR A 71 4.276 -6.898 8.653 1.00 0.00 C ATOM 0 H THR A 71 0.886 -5.159 10.050 1.00 0.00 H new ATOM 0 HA THR A 71 3.209 -6.538 11.145 1.00 0.00 H new ATOM 0 HB THR A 71 2.550 -5.693 8.294 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.235 -8.219 9.646 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.270 -7.342 7.658 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.949 -6.040 8.663 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.618 -7.636 9.378 1.00 0.00 H new ATOM 1024 N GLU A 72 5.010 -4.793 10.813 1.00 0.00 N ATOM 1025 CA GLU A 72 5.979 -3.705 10.865 1.00 0.00 C ATOM 1026 C GLU A 72 6.532 -3.401 9.475 1.00 0.00 C ATOM 1027 O GLU A 72 6.914 -4.308 8.736 1.00 0.00 O ATOM 1028 CB GLU A 72 7.126 -4.059 11.815 1.00 0.00 C ATOM 1029 CG GLU A 72 7.787 -2.847 12.449 1.00 0.00 C ATOM 1030 CD GLU A 72 8.750 -3.222 13.558 1.00 0.00 C ATOM 1031 OE1 GLU A 72 9.514 -4.194 13.379 1.00 0.00 O ATOM 1032 OE2 GLU A 72 8.741 -2.542 14.606 1.00 0.00 O ATOM 0 H GLU A 72 5.380 -5.701 11.093 1.00 0.00 H new ATOM 0 HA GLU A 72 5.469 -2.816 11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.746 -4.709 12.603 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.878 -4.628 11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.322 -2.287 11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.018 -2.186 12.849 1.00 0.00 H new ATOM 1039 N CYS A 73 6.569 -2.120 9.127 1.00 0.00 N ATOM 1040 CA CYS A 73 7.072 -1.695 7.826 1.00 0.00 C ATOM 1041 C CYS A 73 8.462 -1.081 7.955 1.00 0.00 C ATOM 1042 O CYS A 73 8.806 -0.507 8.989 1.00 0.00 O ATOM 1043 CB CYS A 73 6.114 -0.688 7.189 1.00 0.00 C ATOM 1044 SG CYS A 73 5.921 0.844 8.129 1.00 0.00 S ATOM 0 H CYS A 73 6.257 -1.357 9.728 1.00 0.00 H new ATOM 0 HA CYS A 73 7.141 -2.575 7.186 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.472 -0.445 6.189 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.136 -1.156 7.073 1.00 0.00 H new ATOM 0 HG CYS A 73 4.656 1.106 8.276 1.00 0.00 H new ATOM 1050 N PHE A 74 9.260 -1.207 6.899 1.00 0.00 N ATOM 1051 CA PHE A 74 10.614 -0.666 6.895 1.00 0.00 C ATOM 1052 C PHE A 74 10.822 0.272 5.710 1.00 0.00 C ATOM 1053 O PHE A 74 11.058 -0.172 4.586 1.00 0.00 O ATOM 1054 CB PHE A 74 11.639 -1.802 6.847 1.00 0.00 C ATOM 1055 CG PHE A 74 11.274 -2.975 7.711 1.00 0.00 C ATOM 1056 CD1 PHE A 74 10.736 -2.782 8.973 1.00 0.00 C ATOM 1057 CD2 PHE A 74 11.469 -4.271 7.261 1.00 0.00 C ATOM 1058 CE1 PHE A 74 10.401 -3.860 9.771 1.00 0.00 C ATOM 1059 CE2 PHE A 74 11.135 -5.353 8.053 1.00 0.00 C ATOM 1060 CZ PHE A 74 10.599 -5.147 9.309 1.00 0.00 C ATOM 0 H PHE A 74 8.992 -1.679 6.035 1.00 0.00 H new ATOM 0 HA PHE A 74 10.754 -0.097 7.814 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.747 -2.140 5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.610 -1.418 7.160 1.00 0.00 H new ATOM 0 HD1 PHE A 74 10.576 -1.778 9.338 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.887 -4.437 6.279 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.985 -3.696 10.754 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.293 -6.358 7.690 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.335 -5.991 9.929 1.00 0.00 H new ATOM 1070 N VAL A 75 10.731 1.572 5.969 1.00 0.00 N ATOM 1071 CA VAL A 75 10.910 2.574 4.925 1.00 0.00 C ATOM 1072 C VAL A 75 12.388 2.841 4.666 1.00 0.00 C ATOM 1073 O VAL A 75 13.170 3.028 5.598 1.00 0.00 O ATOM 1074 CB VAL A 75 10.217 3.900 5.295 1.00 0.00 C ATOM 1075 CG1 VAL A 75 8.736 3.674 5.554 1.00 0.00 C ATOM 1076 CG2 VAL A 75 10.889 4.531 6.505 1.00 0.00 C ATOM 0 H VAL A 75 10.534 1.956 6.893 1.00 0.00 H new ATOM 0 HA VAL A 75 10.453 2.173 4.020 1.00 0.00 H new ATOM 0 HB VAL A 75 10.313 4.588 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.263 4.621 5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.268 3.269 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.614 2.970 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.388 5.466 6.753 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.826 3.849 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.936 4.730 6.277 1.00 0.00 H new ATOM 1086 N THR A 76 12.766 2.857 3.391 1.00 0.00 N ATOM 1087 CA THR A 76 14.152 3.100 3.008 1.00 0.00 C ATOM 1088 C THR A 76 14.237 4.095 1.857 1.00 0.00 C ATOM 1089 O THR A 76 13.774 3.819 0.750 1.00 0.00 O ATOM 1090 CB THR A 76 14.858 1.794 2.597 1.00 0.00 C ATOM 1091 OG1 THR A 76 14.815 0.853 3.675 1.00 0.00 O ATOM 1092 CG2 THR A 76 16.304 2.061 2.207 1.00 0.00 C ATOM 0 H THR A 76 12.132 2.705 2.607 1.00 0.00 H new ATOM 0 HA THR A 76 14.654 3.516 3.882 1.00 0.00 H new ATOM 0 HB THR A 76 14.336 1.380 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.265 0.025 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.782 1.124 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 76 16.332 2.755 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.835 2.495 3.054 1.00 0.00 H new ATOM 1100 N ASP A 77 14.832 5.252 2.124 1.00 0.00 N ATOM 1101 CA ASP A 77 14.980 6.289 1.109 1.00 0.00 C ATOM 1102 C ASP A 77 16.251 6.074 0.294 1.00 0.00 C ATOM 1103 O ASP A 77 17.338 5.918 0.850 1.00 0.00 O ATOM 1104 CB ASP A 77 15.005 7.672 1.762 1.00 0.00 C ATOM 1105 CG ASP A 77 16.159 7.834 2.731 1.00 0.00 C ATOM 1106 OD1 ASP A 77 16.426 6.885 3.498 1.00 0.00 O ATOM 1107 OD2 ASP A 77 16.795 8.909 2.723 1.00 0.00 O ATOM 0 H ASP A 77 15.220 5.496 3.035 1.00 0.00 H new ATOM 0 HA ASP A 77 14.124 6.229 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.075 8.435 0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 77 14.066 7.839 2.289 1.00 0.00 H new ATOM 1112 N ASN A 78 16.107 6.066 -1.027 1.00 0.00 N ATOM 1113 CA ASN A 78 17.244 5.868 -1.919 1.00 0.00 C ATOM 1114 C ASN A 78 18.002 7.175 -2.132 1.00 0.00 C ATOM 1115 O ASN A 78 18.899 7.254 -2.970 1.00 0.00 O ATOM 1116 CB ASN A 78 16.773 5.313 -3.265 1.00 0.00 C ATOM 1117 CG ASN A 78 16.265 3.889 -3.157 1.00 0.00 C ATOM 1118 OD1 ASN A 78 17.044 2.936 -3.192 1.00 0.00 O ATOM 1119 ND2 ASN A 78 14.952 3.737 -3.025 1.00 0.00 N ATOM 0 H ASN A 78 15.214 6.194 -1.504 1.00 0.00 H new ATOM 0 HA ASN A 78 17.918 5.149 -1.454 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.981 5.949 -3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.597 5.349 -3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.552 2.802 -2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.344 4.555 -3.001 1.00 0.00 H new ATOM 1126 N ALA A 79 17.634 8.198 -1.367 1.00 0.00 N ATOM 1127 CA ALA A 79 18.281 9.500 -1.470 1.00 0.00 C ATOM 1128 C ALA A 79 18.298 9.992 -2.913 1.00 0.00 C ATOM 1129 O ALA A 79 19.254 10.635 -3.348 1.00 0.00 O ATOM 1130 CB ALA A 79 19.696 9.432 -0.916 1.00 0.00 C ATOM 0 H ALA A 79 16.891 8.150 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 79 17.705 10.212 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 79 20.167 10.411 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.663 9.134 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 79 20.274 8.702 -1.483 1.00 0.00 H new ATOM 1136 N ASP A 80 17.237 9.684 -3.651 1.00 0.00 N ATOM 1137 CA ASP A 80 17.131 10.095 -5.046 1.00 0.00 C ATOM 1138 C ASP A 80 15.831 10.856 -5.291 1.00 0.00 C ATOM 1139 O ASP A 80 15.773 11.751 -6.132 1.00 0.00 O ATOM 1140 CB ASP A 80 17.204 8.876 -5.966 1.00 0.00 C ATOM 1141 CG ASP A 80 17.102 9.249 -7.432 1.00 0.00 C ATOM 1142 OD1 ASP A 80 17.818 10.179 -7.859 1.00 0.00 O ATOM 1143 OD2 ASP A 80 16.306 8.611 -8.152 1.00 0.00 O ATOM 0 H ASP A 80 16.438 9.151 -3.306 1.00 0.00 H new ATOM 0 HA ASP A 80 17.967 10.758 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 80 18.143 8.350 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.400 8.185 -5.713 1.00 0.00 H new ATOM 1148 N GLY A 81 14.789 10.491 -4.549 1.00 0.00 N ATOM 1149 CA GLY A 81 13.504 11.148 -4.702 1.00 0.00 C ATOM 1150 C GLY A 81 12.341 10.220 -4.415 1.00 0.00 C ATOM 1151 O GLY A 81 11.201 10.664 -4.277 1.00 0.00 O ATOM 0 H GLY A 81 14.812 9.753 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.455 12.005 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.415 11.534 -5.718 1.00 0.00 H new ATOM 1155 N THR A 82 12.627 8.924 -4.325 1.00 0.00 N ATOM 1156 CA THR A 82 11.596 7.930 -4.056 1.00 0.00 C ATOM 1157 C THR A 82 11.878 7.183 -2.758 1.00 0.00 C ATOM 1158 O THR A 82 12.978 7.263 -2.210 1.00 0.00 O ATOM 1159 CB THR A 82 11.483 6.912 -5.207 1.00 0.00 C ATOM 1160 OG1 THR A 82 12.757 6.307 -5.453 1.00 0.00 O ATOM 1161 CG2 THR A 82 10.981 7.584 -6.476 1.00 0.00 C ATOM 0 H THR A 82 13.565 8.539 -4.435 1.00 0.00 H new ATOM 0 HA THR A 82 10.653 8.469 -3.964 1.00 0.00 H new ATOM 0 HB THR A 82 10.767 6.144 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.676 5.660 -6.185 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.909 6.846 -7.275 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.998 8.018 -6.293 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.676 8.371 -6.770 1.00 0.00 H new ATOM 1169 N TYR A 83 10.879 6.457 -2.270 1.00 0.00 N ATOM 1170 CA TYR A 83 11.020 5.696 -1.034 1.00 0.00 C ATOM 1171 C TYR A 83 10.720 4.218 -1.266 1.00 0.00 C ATOM 1172 O TYR A 83 9.953 3.863 -2.161 1.00 0.00 O ATOM 1173 CB TYR A 83 10.087 6.254 0.042 1.00 0.00 C ATOM 1174 CG TYR A 83 10.258 7.737 0.283 1.00 0.00 C ATOM 1175 CD1 TYR A 83 9.582 8.669 -0.495 1.00 0.00 C ATOM 1176 CD2 TYR A 83 11.097 8.206 1.286 1.00 0.00 C ATOM 1177 CE1 TYR A 83 9.736 10.025 -0.279 1.00 0.00 C ATOM 1178 CE2 TYR A 83 11.256 9.560 1.510 1.00 0.00 C ATOM 1179 CZ TYR A 83 10.573 10.465 0.724 1.00 0.00 C ATOM 1180 OH TYR A 83 10.730 11.815 0.943 1.00 0.00 O ATOM 0 H TYR A 83 9.963 6.379 -2.711 1.00 0.00 H new ATOM 0 HA TYR A 83 12.052 5.790 -0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 83 9.055 6.058 -0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 83 10.263 5.720 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 83 8.925 8.328 -1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 83 11.634 7.500 1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 83 9.203 10.736 -0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 83 11.911 9.908 2.295 1.00 0.00 H new ATOM 0 HH TYR A 83 11.353 11.956 1.686 1.00 0.00 H new ATOM 1190 N GLN A 84 11.330 3.362 -0.453 1.00 0.00 N ATOM 1191 CA GLN A 84 11.129 1.923 -0.570 1.00 0.00 C ATOM 1192 C GLN A 84 10.772 1.312 0.781 1.00 0.00 C ATOM 1193 O GLN A 84 11.613 1.222 1.676 1.00 0.00 O ATOM 1194 CB GLN A 84 12.386 1.254 -1.129 1.00 0.00 C ATOM 1195 CG GLN A 84 12.148 -0.156 -1.643 1.00 0.00 C ATOM 1196 CD GLN A 84 11.742 -0.184 -3.103 1.00 0.00 C ATOM 1197 OE1 GLN A 84 10.723 -0.974 -3.419 1.00 0.00 O flip ATOM 1198 NE2 GLN A 84 12.338 0.497 -3.938 1.00 0.00 N flip ATOM 0 H GLN A 84 11.967 3.640 0.293 1.00 0.00 H new ATOM 0 HA GLN A 84 10.300 1.752 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.783 1.865 -1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.148 1.224 -0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.056 -0.745 -1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.370 -0.630 -1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.116 1.090 -3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.053 0.468 -4.917 1.00 0.00 H new ATOM 1207 N VAL A 85 9.518 0.893 0.923 1.00 0.00 N ATOM 1208 CA VAL A 85 9.049 0.290 2.165 1.00 0.00 C ATOM 1209 C VAL A 85 8.952 -1.226 2.037 1.00 0.00 C ATOM 1210 O VAL A 85 8.195 -1.741 1.215 1.00 0.00 O ATOM 1211 CB VAL A 85 7.674 0.849 2.577 1.00 0.00 C ATOM 1212 CG1 VAL A 85 7.201 0.204 3.870 1.00 0.00 C ATOM 1213 CG2 VAL A 85 7.735 2.363 2.717 1.00 0.00 C ATOM 0 H VAL A 85 8.809 0.960 0.193 1.00 0.00 H new ATOM 0 HA VAL A 85 9.779 0.541 2.934 1.00 0.00 H new ATOM 0 HB VAL A 85 6.954 0.608 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.228 0.611 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.117 -0.874 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.919 0.411 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.755 2.741 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.468 2.629 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.026 2.805 1.764 1.00 0.00 H new ATOM 1223 N GLU A 86 9.722 -1.934 2.856 1.00 0.00 N ATOM 1224 CA GLU A 86 9.723 -3.392 2.834 1.00 0.00 C ATOM 1225 C GLU A 86 9.102 -3.956 4.109 1.00 0.00 C ATOM 1226 O GLU A 86 9.377 -3.479 5.210 1.00 0.00 O ATOM 1227 CB GLU A 86 11.149 -3.922 2.671 1.00 0.00 C ATOM 1228 CG GLU A 86 11.241 -5.438 2.693 1.00 0.00 C ATOM 1229 CD GLU A 86 12.621 -5.933 3.080 1.00 0.00 C ATOM 1230 OE1 GLU A 86 12.864 -6.128 4.289 1.00 0.00 O ATOM 1231 OE2 GLU A 86 13.459 -6.125 2.173 1.00 0.00 O ATOM 0 H GLU A 86 10.353 -1.522 3.543 1.00 0.00 H new ATOM 0 HA GLU A 86 9.123 -3.717 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.559 -3.555 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.772 -3.517 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.507 -5.833 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.982 -5.828 1.709 1.00 0.00 H new ATOM 1238 N TYR A 87 8.263 -4.974 3.951 1.00 0.00 N ATOM 1239 CA TYR A 87 7.600 -5.601 5.088 1.00 0.00 C ATOM 1240 C TYR A 87 7.361 -7.086 4.829 1.00 0.00 C ATOM 1241 O TYR A 87 7.304 -7.527 3.680 1.00 0.00 O ATOM 1242 CB TYR A 87 6.270 -4.903 5.379 1.00 0.00 C ATOM 1243 CG TYR A 87 5.211 -5.158 4.331 1.00 0.00 C ATOM 1244 CD1 TYR A 87 5.087 -4.326 3.224 1.00 0.00 C ATOM 1245 CD2 TYR A 87 4.332 -6.228 4.447 1.00 0.00 C ATOM 1246 CE1 TYR A 87 4.120 -4.554 2.264 1.00 0.00 C ATOM 1247 CE2 TYR A 87 3.363 -6.464 3.492 1.00 0.00 C ATOM 1248 CZ TYR A 87 3.261 -5.625 2.402 1.00 0.00 C ATOM 1249 OH TYR A 87 2.296 -5.856 1.448 1.00 0.00 O ATOM 0 H TYR A 87 8.026 -5.382 3.047 1.00 0.00 H new ATOM 0 HA TYR A 87 8.252 -5.502 5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 87 5.898 -5.237 6.348 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.442 -3.829 5.456 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.758 -3.487 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.408 -6.887 5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.037 -3.898 1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.689 -7.301 3.598 1.00 0.00 H new ATOM 0 HH TYR A 87 2.353 -5.168 0.752 1.00 0.00 H new ATOM 1259 N THR A 88 7.223 -7.853 5.905 1.00 0.00 N ATOM 1260 CA THR A 88 6.991 -9.288 5.796 1.00 0.00 C ATOM 1261 C THR A 88 5.716 -9.696 6.525 1.00 0.00 C ATOM 1262 O THR A 88 5.697 -9.872 7.743 1.00 0.00 O ATOM 1263 CB THR A 88 8.174 -10.093 6.367 1.00 0.00 C ATOM 1264 OG1 THR A 88 9.408 -9.436 6.056 1.00 0.00 O ATOM 1265 CG2 THR A 88 8.190 -11.505 5.803 1.00 0.00 C ATOM 0 H THR A 88 7.268 -7.505 6.863 1.00 0.00 H new ATOM 0 HA THR A 88 6.887 -9.511 4.734 1.00 0.00 H new ATOM 0 HB THR A 88 8.056 -10.152 7.449 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.155 -9.953 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.034 -12.054 6.221 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.262 -12.012 6.065 1.00 0.00 H new ATOM 0 HG23 THR A 88 8.286 -11.462 4.718 1.00 0.00 H new ATOM 1273 N PRO A 89 4.623 -9.851 5.763 1.00 0.00 N ATOM 1274 CA PRO A 89 3.322 -10.242 6.316 1.00 0.00 C ATOM 1275 C PRO A 89 3.309 -11.687 6.801 1.00 0.00 C ATOM 1276 O PRO A 89 3.759 -12.593 6.099 1.00 0.00 O ATOM 1277 CB PRO A 89 2.367 -10.067 5.132 1.00 0.00 C ATOM 1278 CG PRO A 89 3.228 -10.216 3.925 1.00 0.00 C ATOM 1279 CD PRO A 89 4.572 -9.658 4.304 1.00 0.00 C ATOM 0 HA PRO A 89 3.055 -9.647 7.189 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.575 -10.816 5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.883 -9.091 5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.309 -11.262 3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.807 -9.677 3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.382 -10.185 3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.661 -8.606 4.035 1.00 0.00 H new ATOM 1287 N PHE A 90 2.790 -11.897 8.007 1.00 0.00 N ATOM 1288 CA PHE A 90 2.719 -13.233 8.587 1.00 0.00 C ATOM 1289 C PHE A 90 1.309 -13.802 8.469 1.00 0.00 C ATOM 1290 O PHE A 90 0.988 -14.823 9.077 1.00 0.00 O ATOM 1291 CB PHE A 90 3.147 -13.198 10.056 1.00 0.00 C ATOM 1292 CG PHE A 90 2.732 -11.944 10.771 1.00 0.00 C ATOM 1293 CD1 PHE A 90 1.442 -11.801 11.256 1.00 0.00 C ATOM 1294 CD2 PHE A 90 3.633 -10.907 10.958 1.00 0.00 C ATOM 1295 CE1 PHE A 90 1.058 -10.649 11.915 1.00 0.00 C ATOM 1296 CE2 PHE A 90 3.254 -9.753 11.616 1.00 0.00 C ATOM 1297 CZ PHE A 90 1.964 -9.623 12.094 1.00 0.00 C ATOM 0 H PHE A 90 2.413 -11.159 8.601 1.00 0.00 H new ATOM 0 HA PHE A 90 3.400 -13.879 8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.720 -14.059 10.571 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.231 -13.298 10.113 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.728 -12.600 11.117 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.642 -11.002 10.585 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.050 -10.551 12.290 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.966 -8.953 11.757 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.665 -8.721 12.607 1.00 0.00 H new ATOM 1307 N GLU A 91 0.470 -13.134 7.684 1.00 0.00 N ATOM 1308 CA GLU A 91 -0.907 -13.572 7.488 1.00 0.00 C ATOM 1309 C GLU A 91 -1.298 -13.496 6.015 1.00 0.00 C ATOM 1310 O GLU A 91 -1.087 -12.477 5.357 1.00 0.00 O ATOM 1311 CB GLU A 91 -1.861 -12.719 8.325 1.00 0.00 C ATOM 1312 CG GLU A 91 -2.048 -13.229 9.745 1.00 0.00 C ATOM 1313 CD GLU A 91 -3.151 -14.264 9.852 1.00 0.00 C ATOM 1314 OE1 GLU A 91 -3.434 -14.936 8.838 1.00 0.00 O ATOM 1315 OE2 GLU A 91 -3.730 -14.403 10.949 1.00 0.00 O ATOM 0 H GLU A 91 0.720 -12.287 7.173 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.980 -14.610 7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.484 -11.697 8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.832 -12.683 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.112 -13.663 10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.277 -12.390 10.401 1.00 0.00 H new ATOM 1322 N LYS A 92 -1.868 -14.582 5.503 1.00 0.00 N ATOM 1323 CA LYS A 92 -2.290 -14.640 4.109 1.00 0.00 C ATOM 1324 C LYS A 92 -3.687 -14.052 3.938 1.00 0.00 C ATOM 1325 O LYS A 92 -4.688 -14.746 4.110 1.00 0.00 O ATOM 1326 CB LYS A 92 -2.268 -16.086 3.608 1.00 0.00 C ATOM 1327 CG LYS A 92 -2.633 -17.104 4.674 1.00 0.00 C ATOM 1328 CD LYS A 92 -2.943 -18.462 4.066 1.00 0.00 C ATOM 1329 CE LYS A 92 -4.338 -18.495 3.459 1.00 0.00 C ATOM 1330 NZ LYS A 92 -4.929 -19.861 3.504 1.00 0.00 N ATOM 0 H LYS A 92 -2.048 -15.434 6.034 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.591 -14.047 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.961 -16.183 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.273 -16.314 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.810 -17.201 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.497 -16.750 5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.205 -18.695 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.860 -19.233 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.985 -17.801 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.293 -18.153 2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.353 -20.087 2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.185 -20.554 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.663 -19.898 4.240 1.00 0.00 H new ATOM 1344 N GLY A 93 -3.747 -12.768 3.598 1.00 0.00 N ATOM 1345 CA GLY A 93 -5.027 -12.110 3.408 1.00 0.00 C ATOM 1346 C GLY A 93 -4.879 -10.696 2.882 1.00 0.00 C ATOM 1347 O GLY A 93 -3.794 -10.293 2.460 1.00 0.00 O ATOM 0 H GLY A 93 -2.933 -12.172 3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.632 -12.692 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.565 -12.087 4.356 1.00 0.00 H new ATOM 1351 N LEU A 94 -5.972 -9.941 2.904 1.00 0.00 N ATOM 1352 CA LEU A 94 -5.960 -8.564 2.424 1.00 0.00 C ATOM 1353 C LEU A 94 -5.770 -7.586 3.579 1.00 0.00 C ATOM 1354 O LEU A 94 -6.617 -7.485 4.467 1.00 0.00 O ATOM 1355 CB LEU A 94 -7.261 -8.250 1.684 1.00 0.00 C ATOM 1356 CG LEU A 94 -7.523 -6.774 1.383 1.00 0.00 C ATOM 1357 CD1 LEU A 94 -6.293 -6.129 0.764 1.00 0.00 C ATOM 1358 CD2 LEU A 94 -8.727 -6.622 0.465 1.00 0.00 C ATOM 0 H LEU A 94 -6.878 -10.259 3.249 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.122 -8.452 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.261 -8.798 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.093 -8.633 2.275 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.741 -6.265 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.498 -5.079 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.455 -6.205 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.043 -6.640 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.898 -5.565 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.538 -7.146 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.608 -7.046 0.947 1.00 0.00 H new ATOM 1370 N HIS A 95 -4.653 -6.866 3.560 1.00 0.00 N ATOM 1371 CA HIS A 95 -4.352 -5.893 4.604 1.00 0.00 C ATOM 1372 C HIS A 95 -4.613 -4.472 4.114 1.00 0.00 C ATOM 1373 O HIS A 95 -4.628 -4.212 2.911 1.00 0.00 O ATOM 1374 CB HIS A 95 -2.898 -6.031 5.056 1.00 0.00 C ATOM 1375 CG HIS A 95 -2.356 -7.419 4.914 1.00 0.00 C ATOM 1376 ND1 HIS A 95 -3.020 -8.538 5.372 1.00 0.00 N ATOM 1377 CD2 HIS A 95 -1.206 -7.868 4.358 1.00 0.00 C ATOM 1378 CE1 HIS A 95 -2.301 -9.614 5.107 1.00 0.00 C ATOM 1379 NE2 HIS A 95 -1.196 -9.235 4.491 1.00 0.00 N ATOM 0 H HIS A 95 -3.941 -6.938 2.833 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.008 -6.092 5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.279 -5.347 4.475 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.820 -5.724 6.099 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.439 -7.264 3.896 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.571 -10.631 5.352 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.455 -9.857 4.167 1.00 0.00 H new ATOM 1387 N VAL A 96 -4.819 -3.555 5.055 1.00 0.00 N ATOM 1388 CA VAL A 96 -5.078 -2.160 4.719 1.00 0.00 C ATOM 1389 C VAL A 96 -3.876 -1.283 5.048 1.00 0.00 C ATOM 1390 O VAL A 96 -3.605 -0.993 6.213 1.00 0.00 O ATOM 1391 CB VAL A 96 -6.312 -1.623 5.468 1.00 0.00 C ATOM 1392 CG1 VAL A 96 -6.515 -0.145 5.172 1.00 0.00 C ATOM 1393 CG2 VAL A 96 -7.551 -2.424 5.097 1.00 0.00 C ATOM 0 H VAL A 96 -4.811 -3.753 6.055 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.268 -2.123 3.646 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.142 -1.735 6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.391 0.217 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.636 0.414 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.663 -0.005 4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.413 -2.031 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.727 -2.346 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.402 -3.470 5.365 1.00 0.00 H new ATOM 1403 N VAL A 97 -3.157 -0.861 4.012 1.00 0.00 N ATOM 1404 CA VAL A 97 -1.983 -0.015 4.190 1.00 0.00 C ATOM 1405 C VAL A 97 -2.350 1.462 4.091 1.00 0.00 C ATOM 1406 O VAL A 97 -2.858 1.917 3.066 1.00 0.00 O ATOM 1407 CB VAL A 97 -0.897 -0.334 3.146 1.00 0.00 C ATOM 1408 CG1 VAL A 97 0.236 0.678 3.226 1.00 0.00 C ATOM 1409 CG2 VAL A 97 -0.373 -1.749 3.339 1.00 0.00 C ATOM 0 H VAL A 97 -3.367 -1.091 3.041 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.591 -0.223 5.186 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.342 -0.267 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.994 0.436 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.155 1.677 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.682 0.647 4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.394 -1.958 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.056 -1.845 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.192 -2.459 3.226 1.00 0.00 H new ATOM 1419 N GLU A 98 -2.088 2.205 5.161 1.00 0.00 N ATOM 1420 CA GLU A 98 -2.391 3.631 5.194 1.00 0.00 C ATOM 1421 C GLU A 98 -1.122 4.461 5.025 1.00 0.00 C ATOM 1422 O GLU A 98 -0.246 4.458 5.890 1.00 0.00 O ATOM 1423 CB GLU A 98 -3.084 3.998 6.508 1.00 0.00 C ATOM 1424 CG GLU A 98 -4.554 3.619 6.548 1.00 0.00 C ATOM 1425 CD GLU A 98 -5.074 3.448 7.962 1.00 0.00 C ATOM 1426 OE1 GLU A 98 -5.237 4.468 8.662 1.00 0.00 O ATOM 1427 OE2 GLU A 98 -5.319 2.292 8.368 1.00 0.00 O ATOM 0 H GLU A 98 -1.667 1.843 6.017 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.062 3.853 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.568 3.504 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.990 5.072 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.137 4.387 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.701 2.691 5.996 1.00 0.00 H new ATOM 1434 N VAL A 99 -1.031 5.171 3.905 1.00 0.00 N ATOM 1435 CA VAL A 99 0.130 6.006 3.622 1.00 0.00 C ATOM 1436 C VAL A 99 -0.193 7.482 3.825 1.00 0.00 C ATOM 1437 O VAL A 99 -1.250 7.961 3.414 1.00 0.00 O ATOM 1438 CB VAL A 99 0.635 5.796 2.182 1.00 0.00 C ATOM 1439 CG1 VAL A 99 1.965 6.505 1.974 1.00 0.00 C ATOM 1440 CG2 VAL A 99 0.759 4.312 1.873 1.00 0.00 C ATOM 0 H VAL A 99 -1.747 5.185 3.179 1.00 0.00 H new ATOM 0 HA VAL A 99 0.912 5.708 4.320 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.091 6.228 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.306 6.346 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.840 7.573 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.703 6.105 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.117 4.182 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.465 3.854 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.216 3.836 1.979 1.00 0.00 H new ATOM 1450 N THR A 100 0.726 8.201 4.464 1.00 0.00 N ATOM 1451 CA THR A 100 0.540 9.623 4.723 1.00 0.00 C ATOM 1452 C THR A 100 1.848 10.388 4.557 1.00 0.00 C ATOM 1453 O THR A 100 2.863 10.040 5.160 1.00 0.00 O ATOM 1454 CB THR A 100 -0.009 9.868 6.141 1.00 0.00 C ATOM 1455 OG1 THR A 100 0.833 9.233 7.109 1.00 0.00 O ATOM 1456 CG2 THR A 100 -1.429 9.339 6.271 1.00 0.00 C ATOM 0 H THR A 100 1.606 7.821 4.811 1.00 0.00 H new ATOM 0 HA THR A 100 -0.184 9.985 3.993 1.00 0.00 H new ATOM 0 HB THR A 100 -0.021 10.943 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.747 9.177 6.761 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.795 9.524 7.281 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.073 9.846 5.553 1.00 0.00 H new ATOM 0 HG23 THR A 100 -1.438 8.267 6.072 1.00 0.00 H new ATOM 1464 N TYR A 101 1.817 11.432 3.736 1.00 0.00 N ATOM 1465 CA TYR A 101 3.001 12.246 3.489 1.00 0.00 C ATOM 1466 C TYR A 101 2.869 13.614 4.151 1.00 0.00 C ATOM 1467 O TYR A 101 2.077 14.451 3.719 1.00 0.00 O ATOM 1468 CB TYR A 101 3.227 12.413 1.986 1.00 0.00 C ATOM 1469 CG TYR A 101 4.616 12.892 1.631 1.00 0.00 C ATOM 1470 CD1 TYR A 101 5.101 14.100 2.117 1.00 0.00 C ATOM 1471 CD2 TYR A 101 5.444 12.137 0.810 1.00 0.00 C ATOM 1472 CE1 TYR A 101 6.370 14.542 1.796 1.00 0.00 C ATOM 1473 CE2 TYR A 101 6.715 12.570 0.484 1.00 0.00 C ATOM 1474 CZ TYR A 101 7.173 13.774 0.980 1.00 0.00 C ATOM 1475 OH TYR A 101 8.438 14.209 0.656 1.00 0.00 O ATOM 0 H TYR A 101 0.984 11.734 3.230 1.00 0.00 H new ATOM 0 HA TYR A 101 3.860 11.734 3.923 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.044 11.459 1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.497 13.121 1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.475 14.704 2.757 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.088 11.195 0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.731 15.484 2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.346 11.970 -0.155 1.00 0.00 H new ATOM 0 HH TYR A 101 9.076 13.475 0.772 1.00 0.00 H new ATOM 1485 N ASP A 102 3.653 13.834 5.201 1.00 0.00 N ATOM 1486 CA ASP A 102 3.626 15.101 5.923 1.00 0.00 C ATOM 1487 C ASP A 102 2.287 15.297 6.628 1.00 0.00 C ATOM 1488 O ASP A 102 1.722 16.390 6.614 1.00 0.00 O ATOM 1489 CB ASP A 102 3.887 16.264 4.965 1.00 0.00 C ATOM 1490 CG ASP A 102 4.312 17.526 5.688 1.00 0.00 C ATOM 1491 OD1 ASP A 102 3.956 17.678 6.876 1.00 0.00 O ATOM 1492 OD2 ASP A 102 5.001 18.362 5.067 1.00 0.00 O ATOM 0 H ASP A 102 4.315 13.152 5.571 1.00 0.00 H new ATOM 0 HA ASP A 102 4.413 15.078 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.662 15.978 4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.984 16.466 4.389 1.00 0.00 H new ATOM 1497 N ASP A 103 1.786 14.230 7.241 1.00 0.00 N ATOM 1498 CA ASP A 103 0.514 14.285 7.951 1.00 0.00 C ATOM 1499 C ASP A 103 -0.644 14.489 6.978 1.00 0.00 C ATOM 1500 O ASP A 103 -1.680 15.046 7.339 1.00 0.00 O ATOM 1501 CB ASP A 103 0.531 15.411 8.986 1.00 0.00 C ATOM 1502 CG ASP A 103 -0.557 15.254 10.031 1.00 0.00 C ATOM 1503 OD1 ASP A 103 -0.437 14.346 10.881 1.00 0.00 O ATOM 1504 OD2 ASP A 103 -1.527 16.039 9.999 1.00 0.00 O ATOM 0 H ASP A 103 2.241 13.317 7.260 1.00 0.00 H new ATOM 0 HA ASP A 103 0.371 13.333 8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.503 15.433 9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.409 16.368 8.479 1.00 0.00 H new ATOM 1509 N VAL A 104 -0.458 14.035 5.743 1.00 0.00 N ATOM 1510 CA VAL A 104 -1.487 14.168 4.717 1.00 0.00 C ATOM 1511 C VAL A 104 -1.598 12.897 3.883 1.00 0.00 C ATOM 1512 O VAL A 104 -0.653 12.480 3.213 1.00 0.00 O ATOM 1513 CB VAL A 104 -1.197 15.358 3.784 1.00 0.00 C ATOM 1514 CG1 VAL A 104 -2.281 15.481 2.724 1.00 0.00 C ATOM 1515 CG2 VAL A 104 -1.075 16.646 4.585 1.00 0.00 C ATOM 0 H VAL A 104 0.395 13.572 5.428 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.430 14.343 5.234 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.247 15.179 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.060 16.327 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.316 14.567 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.246 15.637 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.870 17.477 3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.008 16.833 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.260 16.552 5.303 1.00 0.00 H new ATOM 1525 N PRO A 105 -2.780 12.265 3.923 1.00 0.00 N ATOM 1526 CA PRO A 105 -3.044 11.032 3.175 1.00 0.00 C ATOM 1527 C PRO A 105 -3.111 11.269 1.671 1.00 0.00 C ATOM 1528 O PRO A 105 -3.468 12.359 1.220 1.00 0.00 O ATOM 1529 CB PRO A 105 -4.407 10.580 3.707 1.00 0.00 C ATOM 1530 CG PRO A 105 -5.060 11.829 4.187 1.00 0.00 C ATOM 1531 CD PRO A 105 -3.951 12.705 4.701 1.00 0.00 C ATOM 0 HA PRO A 105 -2.252 10.295 3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.997 10.100 2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.296 9.856 4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.603 12.320 3.380 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.784 11.614 4.973 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.166 13.761 4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.796 12.570 5.771 1.00 0.00 H new ATOM 1539 N ILE A 106 -2.768 10.244 0.898 1.00 0.00 N ATOM 1540 CA ILE A 106 -2.791 10.342 -0.556 1.00 0.00 C ATOM 1541 C ILE A 106 -4.101 9.806 -1.122 1.00 0.00 C ATOM 1542 O ILE A 106 -4.791 8.998 -0.499 1.00 0.00 O ATOM 1543 CB ILE A 106 -1.617 9.573 -1.190 1.00 0.00 C ATOM 1544 CG1 ILE A 106 -1.397 8.245 -0.464 1.00 0.00 C ATOM 1545 CG2 ILE A 106 -0.352 10.417 -1.158 1.00 0.00 C ATOM 1546 CD1 ILE A 106 -0.424 7.325 -1.168 1.00 0.00 C ATOM 0 H ILE A 106 -2.471 9.336 1.255 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.697 11.399 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.861 9.360 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.030 8.447 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.355 7.735 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.469 9.860 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.515 11.339 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.102 10.658 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.317 6.403 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.799 7.093 -2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.546 7.816 -1.250 1.00 0.00 H new ATOM 1558 N PRO A 107 -4.453 10.263 -2.333 1.00 0.00 N ATOM 1559 CA PRO A 107 -5.682 9.841 -3.012 1.00 0.00 C ATOM 1560 C PRO A 107 -5.621 8.388 -3.470 1.00 0.00 C ATOM 1561 O PRO A 107 -6.550 7.888 -4.104 1.00 0.00 O ATOM 1562 CB PRO A 107 -5.761 10.779 -4.218 1.00 0.00 C ATOM 1563 CG PRO A 107 -4.351 11.183 -4.477 1.00 0.00 C ATOM 1564 CD PRO A 107 -3.679 11.227 -3.133 1.00 0.00 C ATOM 0 HA PRO A 107 -6.550 9.896 -2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.194 10.276 -5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.388 11.645 -4.006 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.856 10.471 -5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.308 12.156 -4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.629 10.943 -3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.712 12.227 -2.700 1.00 0.00 H new ATOM 1572 N ASN A 108 -4.522 7.715 -3.144 1.00 0.00 N ATOM 1573 CA ASN A 108 -4.341 6.318 -3.523 1.00 0.00 C ATOM 1574 C ASN A 108 -4.544 5.398 -2.322 1.00 0.00 C ATOM 1575 O ASN A 108 -4.696 4.186 -2.475 1.00 0.00 O ATOM 1576 CB ASN A 108 -2.946 6.105 -4.113 1.00 0.00 C ATOM 1577 CG ASN A 108 -2.630 7.092 -5.220 1.00 0.00 C ATOM 1578 OD1 ASN A 108 -2.431 8.352 -4.851 1.00 0.00 O flip ATOM 1579 ND2 ASN A 108 -2.565 6.724 -6.394 1.00 0.00 N flip ATOM 0 H ASN A 108 -3.744 8.114 -2.619 1.00 0.00 H new ATOM 0 HA ASN A 108 -5.088 6.072 -4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.202 6.199 -3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -2.870 5.090 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -2.725 5.745 -6.631 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -2.351 7.398 -7.129 1.00 0.00 H new ATOM 1586 N SER A 109 -4.544 5.983 -1.129 1.00 0.00 N ATOM 1587 CA SER A 109 -4.725 5.217 0.098 1.00 0.00 C ATOM 1588 C SER A 109 -6.129 5.414 0.660 1.00 0.00 C ATOM 1589 O SER A 109 -6.829 6.372 0.331 1.00 0.00 O ATOM 1590 CB SER A 109 -3.683 5.629 1.140 1.00 0.00 C ATOM 1591 OG SER A 109 -2.522 4.822 1.049 1.00 0.00 O ATOM 0 H SER A 109 -4.421 6.985 -0.986 1.00 0.00 H new ATOM 0 HA SER A 109 -4.593 4.161 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.414 6.675 0.996 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.111 5.545 2.139 1.00 0.00 H new ATOM 0 HG SER A 109 -2.540 4.317 0.209 1.00 0.00 H new ATOM 1597 N PRO A 110 -6.554 4.485 1.530 1.00 0.00 N ATOM 1598 CA PRO A 110 -5.730 3.339 1.929 1.00 0.00 C ATOM 1599 C PRO A 110 -5.546 2.336 0.796 1.00 0.00 C ATOM 1600 O PRO A 110 -6.278 2.360 -0.194 1.00 0.00 O ATOM 1601 CB PRO A 110 -6.528 2.712 3.075 1.00 0.00 C ATOM 1602 CG PRO A 110 -7.939 3.118 2.822 1.00 0.00 C ATOM 1603 CD PRO A 110 -7.870 4.481 2.190 1.00 0.00 C ATOM 0 HA PRO A 110 -4.720 3.639 2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.424 1.627 3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.180 3.072 4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.438 2.407 2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.509 3.147 3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.678 4.634 1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.949 5.273 2.934 1.00 0.00 H new ATOM 1611 N PHE A 111 -4.565 1.453 0.948 1.00 0.00 N ATOM 1612 CA PHE A 111 -4.284 0.440 -0.064 1.00 0.00 C ATOM 1613 C PHE A 111 -4.748 -0.937 0.402 1.00 0.00 C ATOM 1614 O PHE A 111 -4.979 -1.158 1.591 1.00 0.00 O ATOM 1615 CB PHE A 111 -2.787 0.406 -0.380 1.00 0.00 C ATOM 1616 CG PHE A 111 -2.343 1.509 -1.298 1.00 0.00 C ATOM 1617 CD1 PHE A 111 -2.683 1.489 -2.641 1.00 0.00 C ATOM 1618 CD2 PHE A 111 -1.585 2.565 -0.818 1.00 0.00 C ATOM 1619 CE1 PHE A 111 -2.276 2.503 -3.488 1.00 0.00 C ATOM 1620 CE2 PHE A 111 -1.176 3.581 -1.660 1.00 0.00 C ATOM 1621 CZ PHE A 111 -1.520 3.549 -2.997 1.00 0.00 C ATOM 0 H PHE A 111 -3.951 1.418 1.762 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.833 0.703 -0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.225 0.472 0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.541 -0.554 -0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.273 0.672 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.311 2.594 0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.549 2.477 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.588 4.400 -1.273 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.198 4.341 -3.657 1.00 0.00 H new ATOM 1631 N LYS A 112 -4.885 -1.859 -0.545 1.00 0.00 N ATOM 1632 CA LYS A 112 -5.321 -3.215 -0.234 1.00 0.00 C ATOM 1633 C LYS A 112 -4.353 -4.244 -0.810 1.00 0.00 C ATOM 1634 O LYS A 112 -4.294 -4.445 -2.023 1.00 0.00 O ATOM 1635 CB LYS A 112 -6.728 -3.459 -0.786 1.00 0.00 C ATOM 1636 CG LYS A 112 -7.835 -3.099 0.190 1.00 0.00 C ATOM 1637 CD LYS A 112 -9.128 -2.763 -0.532 1.00 0.00 C ATOM 1638 CE LYS A 112 -9.221 -1.278 -0.846 1.00 0.00 C ATOM 1639 NZ LYS A 112 -10.553 -0.910 -1.402 1.00 0.00 N ATOM 0 H LYS A 112 -4.700 -1.692 -1.534 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.338 -3.325 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.857 -2.878 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.824 -4.509 -1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.004 -3.932 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.524 -2.248 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.189 -3.336 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.977 -3.060 0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.035 -0.703 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.443 -1.008 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.576 0.110 -1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.721 -1.440 -2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.294 -1.143 -0.711 1.00 0.00 H new ATOM 1653 N VAL A 113 -3.596 -4.894 0.068 1.00 0.00 N ATOM 1654 CA VAL A 113 -2.632 -5.903 -0.353 1.00 0.00 C ATOM 1655 C VAL A 113 -3.180 -7.310 -0.139 1.00 0.00 C ATOM 1656 O VAL A 113 -3.151 -7.835 0.974 1.00 0.00 O ATOM 1657 CB VAL A 113 -1.301 -5.761 0.409 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -0.317 -6.835 -0.029 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -0.715 -4.373 0.202 1.00 0.00 C ATOM 0 H VAL A 113 -3.632 -4.740 1.076 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.452 -5.744 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.496 -5.894 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.617 -6.718 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.738 -7.819 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.124 -6.738 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.225 -4.290 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.534 -4.209 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.416 -3.624 0.570 1.00 0.00 H new ATOM 1669 N ALA A 114 -3.679 -7.914 -1.212 1.00 0.00 N ATOM 1670 CA ALA A 114 -4.232 -9.261 -1.142 1.00 0.00 C ATOM 1671 C ALA A 114 -3.136 -10.312 -1.277 1.00 0.00 C ATOM 1672 O ALA A 114 -2.667 -10.597 -2.379 1.00 0.00 O ATOM 1673 CB ALA A 114 -5.287 -9.455 -2.221 1.00 0.00 C ATOM 0 H ALA A 114 -3.712 -7.492 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.700 -9.385 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.691 -10.465 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.091 -8.733 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.836 -9.306 -3.202 1.00 0.00 H new ATOM 1679 N VAL A 115 -2.730 -10.885 -0.148 1.00 0.00 N ATOM 1680 CA VAL A 115 -1.688 -11.906 -0.140 1.00 0.00 C ATOM 1681 C VAL A 115 -2.255 -13.272 -0.509 1.00 0.00 C ATOM 1682 O VAL A 115 -3.416 -13.573 -0.228 1.00 0.00 O ATOM 1683 CB VAL A 115 -1.006 -12.000 1.238 1.00 0.00 C ATOM 1684 CG1 VAL A 115 0.062 -13.084 1.231 1.00 0.00 C ATOM 1685 CG2 VAL A 115 -0.411 -10.656 1.630 1.00 0.00 C ATOM 0 H VAL A 115 -3.107 -10.660 0.773 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.948 -11.610 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.758 -12.269 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.534 -13.137 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.396 -14.045 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.815 -12.848 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.067 -10.740 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.329 -10.356 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.202 -9.908 1.677 1.00 0.00 H new ATOM 1695 N THR A 116 -1.427 -14.099 -1.140 1.00 0.00 N ATOM 1696 CA THR A 116 -1.845 -15.434 -1.549 1.00 0.00 C ATOM 1697 C THR A 116 -0.824 -16.484 -1.124 1.00 0.00 C ATOM 1698 O THR A 116 0.358 -16.183 -0.963 1.00 0.00 O ATOM 1699 CB THR A 116 -2.045 -15.518 -3.074 1.00 0.00 C ATOM 1700 OG1 THR A 116 -2.455 -16.839 -3.442 1.00 0.00 O ATOM 1701 CG2 THR A 116 -0.764 -15.155 -3.809 1.00 0.00 C ATOM 0 H THR A 116 -0.463 -13.867 -1.379 1.00 0.00 H new ATOM 0 HA THR A 116 -2.795 -15.633 -1.054 1.00 0.00 H new ATOM 0 HB THR A 116 -2.820 -14.806 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.582 -16.884 -4.413 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.930 -15.222 -4.884 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.471 -14.138 -3.549 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.029 -15.845 -3.521 1.00 0.00 H new ATOM 1709 N GLU A 117 -1.290 -17.716 -0.943 1.00 0.00 N ATOM 1710 CA GLU A 117 -0.416 -18.810 -0.536 1.00 0.00 C ATOM 1711 C GLU A 117 0.556 -19.174 -1.655 1.00 0.00 C ATOM 1712 O GLU A 117 0.166 -19.752 -2.668 1.00 0.00 O ATOM 1713 CB GLU A 117 -1.244 -20.036 -0.146 1.00 0.00 C ATOM 1714 CG GLU A 117 -1.883 -19.926 1.228 1.00 0.00 C ATOM 1715 CD GLU A 117 -2.903 -21.017 1.486 1.00 0.00 C ATOM 1716 OE1 GLU A 117 -3.830 -21.171 0.663 1.00 0.00 O ATOM 1717 OE2 GLU A 117 -2.775 -21.718 2.512 1.00 0.00 O ATOM 0 H GLU A 117 -2.267 -17.981 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 117 0.159 -18.479 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -2.026 -20.188 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.605 -20.919 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.106 -19.973 1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.365 -18.953 1.323 1.00 0.00 H new