USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 13 LYS NZ :NH3+ 166:sc=-0.00842 (180deg=-0.169) USER MOD Set 1.2: A 16 LYS NZ :NH3+ 147:sc= -0.327 (180deg=-1.75!) USER MOD Single : A 18 GLN : amide:sc= -2.49! C(o=-2.5!,f=-3!) USER MOD Single : A 26 TYR OH : rot -53:sc= 1.21 USER MOD Single : A 27 MET CE :methyl -114:sc= -1.27 (180deg=-5.02!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -5.67! C(o=-5.7!,f=-13!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 172:sc= -2.59 (180deg=-2.63) USER MOD Single : A 42 SER OG : rot 86:sc= 0.815 USER MOD Single : A 44 TYR OH : rot 0:sc= -0.242 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -4:sc= 0.0734 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.288 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 45:sc= 0.0925 USER MOD Single : A 92 LYS NZ :NH3+ 146:sc= 0.0728 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -8.29! C(o=-8.3!,f=-16!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 108 LYS NZ :NH3+ -154:sc= -0.289 (180deg=-1.35) USER MOD ----------------------------------------------------------------- ATOM 192 N LYS A 13 1.265 -0.764 11.944 1.00 0.00 N ATOM 193 CA LYS A 13 1.319 -1.276 10.579 1.00 0.00 C ATOM 194 C LYS A 13 0.317 -0.533 9.696 1.00 0.00 C ATOM 195 O LYS A 13 -0.757 -0.145 10.155 1.00 0.00 O ATOM 196 CB LYS A 13 1.017 -2.781 10.574 1.00 0.00 C ATOM 197 CG LYS A 13 0.821 -3.383 9.186 1.00 0.00 C ATOM 198 CD LYS A 13 2.105 -4.008 8.664 1.00 0.00 C ATOM 199 CE LYS A 13 2.418 -5.315 9.373 1.00 0.00 C ATOM 200 NZ LYS A 13 1.466 -6.395 8.995 1.00 0.00 N ATOM 0 HA LYS A 13 2.320 -1.115 10.180 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.834 -3.304 11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.118 -2.960 11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.036 -4.139 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.485 -2.609 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.014 -4.187 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.932 -3.311 8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.434 -5.625 9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.382 -5.160 10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.843 -7.314 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.548 -6.225 9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.341 -6.402 7.963 1.00 0.00 H new ATOM 214 N PRO A 14 0.665 -0.313 8.413 1.00 0.00 N ATOM 215 CA PRO A 14 -0.205 0.405 7.477 1.00 0.00 C ATOM 216 C PRO A 14 -1.549 -0.285 7.302 1.00 0.00 C ATOM 217 O PRO A 14 -1.688 -1.477 7.577 1.00 0.00 O ATOM 218 CB PRO A 14 0.579 0.384 6.158 1.00 0.00 C ATOM 219 CG PRO A 14 1.994 0.143 6.555 1.00 0.00 C ATOM 220 CD PRO A 14 1.935 -0.718 7.783 1.00 0.00 C ATOM 0 HA PRO A 14 -0.437 1.410 7.830 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.216 -0.401 5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.475 1.327 5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.545 -0.353 5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.508 1.082 6.761 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.941 -1.779 7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.786 -0.541 8.441 1.00 0.00 H new ATOM 228 N VAL A 15 -2.541 0.476 6.858 1.00 0.00 N ATOM 229 CA VAL A 15 -3.880 -0.059 6.664 1.00 0.00 C ATOM 230 C VAL A 15 -3.953 -0.974 5.446 1.00 0.00 C ATOM 231 O VAL A 15 -3.701 -0.552 4.309 1.00 0.00 O ATOM 232 CB VAL A 15 -4.920 1.070 6.525 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.816 2.036 7.696 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.753 1.801 5.200 1.00 0.00 C ATOM 0 H VAL A 15 -2.443 1.464 6.626 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.112 -0.647 7.552 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.914 0.624 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.557 2.827 7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.998 1.500 8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.818 2.474 7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.498 2.593 5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.755 2.236 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.886 1.098 4.377 1.00 0.00 H new ATOM 244 N LYS A 16 -4.309 -2.230 5.699 1.00 0.00 N ATOM 245 CA LYS A 16 -4.438 -3.224 4.646 1.00 0.00 C ATOM 246 C LYS A 16 -5.898 -3.638 4.498 1.00 0.00 C ATOM 247 O LYS A 16 -6.700 -3.440 5.410 1.00 0.00 O ATOM 248 CB LYS A 16 -3.575 -4.452 4.952 1.00 0.00 C ATOM 249 CG LYS A 16 -3.785 -5.020 6.344 1.00 0.00 C ATOM 250 CD LYS A 16 -3.515 -6.517 6.380 1.00 0.00 C ATOM 251 CE LYS A 16 -2.250 -6.840 7.159 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.214 -6.139 8.472 1.00 0.00 N ATOM 0 H LYS A 16 -4.514 -2.583 6.634 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.093 -2.784 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.791 -5.228 4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.525 -4.185 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.126 -4.513 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.808 -4.825 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.363 -7.029 6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.422 -6.895 5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.187 -7.916 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.378 -6.554 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.723 -6.734 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.708 -5.236 8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.186 -5.957 8.795 1.00 0.00 H new ATOM 266 N PHE A 17 -6.241 -4.210 3.352 1.00 0.00 N ATOM 267 CA PHE A 17 -7.613 -4.639 3.107 1.00 0.00 C ATOM 268 C PHE A 17 -7.675 -5.694 2.011 1.00 0.00 C ATOM 269 O PHE A 17 -6.700 -5.922 1.297 1.00 0.00 O ATOM 270 CB PHE A 17 -8.484 -3.443 2.724 1.00 0.00 C ATOM 271 CG PHE A 17 -7.883 -2.582 1.649 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.238 -1.398 1.971 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.964 -2.956 0.317 1.00 0.00 C ATOM 274 CE1 PHE A 17 -6.684 -0.606 0.986 1.00 0.00 C ATOM 275 CE2 PHE A 17 -7.413 -2.167 -0.675 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.771 -0.988 -0.339 1.00 0.00 C ATOM 0 H PHE A 17 -5.595 -4.387 2.583 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.992 -5.080 4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.456 -3.805 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.660 -2.833 3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.168 -1.092 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.464 -3.876 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.182 0.313 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.483 -2.470 -1.709 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.339 -0.368 -1.111 1.00 0.00 H new ATOM 286 N GLN A 18 -8.835 -6.328 1.880 1.00 0.00 N ATOM 287 CA GLN A 18 -9.035 -7.355 0.866 1.00 0.00 C ATOM 288 C GLN A 18 -9.836 -6.800 -0.305 1.00 0.00 C ATOM 289 O GLN A 18 -10.906 -6.219 -0.117 1.00 0.00 O ATOM 290 CB GLN A 18 -9.756 -8.562 1.467 1.00 0.00 C ATOM 291 CG GLN A 18 -9.300 -9.890 0.888 1.00 0.00 C ATOM 292 CD GLN A 18 -10.457 -10.808 0.556 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.487 -10.368 0.044 1.00 0.00 O ATOM 294 NE2 GLN A 18 -10.294 -12.092 0.847 1.00 0.00 N ATOM 0 H GLN A 18 -9.651 -6.148 2.464 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.058 -7.673 0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.596 -8.571 2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.828 -8.453 1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.715 -9.707 -0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.641 -10.386 1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.423 -12.412 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.039 -12.759 0.647 1.00 0.00 H new ATOM 303 N LEU A 19 -9.313 -6.976 -1.512 1.00 0.00 N ATOM 304 CA LEU A 19 -9.981 -6.485 -2.711 1.00 0.00 C ATOM 305 C LEU A 19 -10.575 -7.635 -3.523 1.00 0.00 C ATOM 306 O LEU A 19 -11.500 -7.433 -4.310 1.00 0.00 O ATOM 307 CB LEU A 19 -9.002 -5.678 -3.570 1.00 0.00 C ATOM 308 CG LEU A 19 -9.112 -4.159 -3.432 1.00 0.00 C ATOM 309 CD1 LEU A 19 -8.220 -3.469 -4.453 1.00 0.00 C ATOM 310 CD2 LEU A 19 -10.556 -3.707 -3.598 1.00 0.00 C ATOM 0 H LEU A 19 -8.429 -7.455 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.799 -5.835 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.986 -5.977 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.157 -5.944 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.779 -3.880 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.309 -2.388 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.184 -3.766 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.527 -3.757 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.612 -2.623 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.917 -3.998 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.174 -4.176 -2.832 1.00 0.00 H new ATOM 322 N GLU A 20 -10.043 -8.839 -3.330 1.00 0.00 N ATOM 323 CA GLU A 20 -10.533 -10.011 -4.049 1.00 0.00 C ATOM 324 C GLU A 20 -10.889 -11.138 -3.086 1.00 0.00 C ATOM 325 O GLU A 20 -10.224 -11.336 -2.070 1.00 0.00 O ATOM 326 CB GLU A 20 -9.492 -10.500 -5.059 1.00 0.00 C ATOM 327 CG GLU A 20 -8.736 -9.380 -5.755 1.00 0.00 C ATOM 328 CD GLU A 20 -9.574 -8.675 -6.804 1.00 0.00 C ATOM 329 OE1 GLU A 20 -9.010 -8.275 -7.844 1.00 0.00 O ATOM 330 OE2 GLU A 20 -10.795 -8.525 -6.586 1.00 0.00 O ATOM 0 H GLU A 20 -9.276 -9.028 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.435 -9.716 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.777 -11.144 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.990 -11.112 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.404 -8.654 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.841 -9.788 -6.224 1.00 0.00 H new ATOM 337 N ASP A 21 -11.942 -11.875 -3.420 1.00 0.00 N ATOM 338 CA ASP A 21 -12.402 -12.991 -2.599 1.00 0.00 C ATOM 339 C ASP A 21 -11.377 -14.126 -2.560 1.00 0.00 C ATOM 340 O ASP A 21 -11.503 -15.055 -1.763 1.00 0.00 O ATOM 341 CB ASP A 21 -13.739 -13.517 -3.127 1.00 0.00 C ATOM 342 CG ASP A 21 -14.803 -12.439 -3.183 1.00 0.00 C ATOM 343 OD1 ASP A 21 -15.537 -12.382 -4.191 1.00 0.00 O ATOM 344 OD2 ASP A 21 -14.903 -11.652 -2.217 1.00 0.00 O ATOM 0 H ASP A 21 -12.498 -11.718 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.531 -12.621 -1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.594 -13.933 -4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.084 -14.331 -2.489 1.00 0.00 H new ATOM 349 N ASP A 22 -10.375 -14.059 -3.433 1.00 0.00 N ATOM 350 CA ASP A 22 -9.351 -15.097 -3.501 1.00 0.00 C ATOM 351 C ASP A 22 -8.279 -14.911 -2.425 1.00 0.00 C ATOM 352 O ASP A 22 -7.340 -15.703 -2.338 1.00 0.00 O ATOM 353 CB ASP A 22 -8.699 -15.103 -4.885 1.00 0.00 C ATOM 354 CG ASP A 22 -8.217 -13.729 -5.304 1.00 0.00 C ATOM 355 OD1 ASP A 22 -8.689 -13.227 -6.346 1.00 0.00 O ATOM 356 OD2 ASP A 22 -7.368 -13.152 -4.591 1.00 0.00 O ATOM 0 H ASP A 22 -10.251 -13.299 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.842 -16.054 -3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.857 -15.795 -4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.415 -15.473 -5.619 1.00 0.00 H new ATOM 361 N GLY A 23 -8.424 -13.878 -1.600 1.00 0.00 N ATOM 362 CA GLY A 23 -7.459 -13.641 -0.540 1.00 0.00 C ATOM 363 C GLY A 23 -6.422 -12.594 -0.898 1.00 0.00 C ATOM 364 O GLY A 23 -5.313 -12.608 -0.362 1.00 0.00 O ATOM 0 H GLY A 23 -9.188 -13.204 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.988 -13.326 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.954 -14.577 -0.302 1.00 0.00 H new ATOM 368 N GLU A 24 -6.775 -11.682 -1.797 1.00 0.00 N ATOM 369 CA GLU A 24 -5.856 -10.627 -2.206 1.00 0.00 C ATOM 370 C GLU A 24 -5.912 -9.458 -1.232 1.00 0.00 C ATOM 371 O GLU A 24 -6.949 -8.811 -1.084 1.00 0.00 O ATOM 372 CB GLU A 24 -6.186 -10.144 -3.620 1.00 0.00 C ATOM 373 CG GLU A 24 -5.409 -10.867 -4.707 1.00 0.00 C ATOM 374 CD GLU A 24 -3.941 -10.487 -4.725 1.00 0.00 C ATOM 375 OE1 GLU A 24 -3.634 -9.315 -5.026 1.00 0.00 O ATOM 376 OE2 GLU A 24 -3.098 -11.362 -4.435 1.00 0.00 O ATOM 0 H GLU A 24 -7.686 -11.652 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.847 -11.038 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.253 -10.275 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.980 -9.076 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.500 -11.943 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.851 -10.640 -5.677 1.00 0.00 H new ATOM 383 N PHE A 25 -4.793 -9.192 -0.567 1.00 0.00 N ATOM 384 CA PHE A 25 -4.722 -8.101 0.393 1.00 0.00 C ATOM 385 C PHE A 25 -3.816 -6.986 -0.113 1.00 0.00 C ATOM 386 O PHE A 25 -2.713 -7.236 -0.599 1.00 0.00 O ATOM 387 CB PHE A 25 -4.215 -8.611 1.744 1.00 0.00 C ATOM 388 CG PHE A 25 -5.317 -8.978 2.697 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.687 -8.119 3.722 1.00 0.00 C ATOM 390 CD2 PHE A 25 -5.984 -10.185 2.565 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.703 -8.460 4.595 1.00 0.00 C ATOM 392 CE2 PHE A 25 -6.999 -10.531 3.435 1.00 0.00 C ATOM 393 CZ PHE A 25 -7.360 -9.668 4.452 1.00 0.00 C ATOM 0 H PHE A 25 -3.925 -9.717 -0.676 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.727 -7.699 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.582 -9.483 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.590 -7.844 2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.176 -7.175 3.839 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.707 -10.864 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.983 -7.783 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.510 -11.475 3.321 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.154 -9.937 5.134 1.00 0.00 H new ATOM 403 N TYR A 26 -4.291 -5.754 0.012 1.00 0.00 N ATOM 404 CA TYR A 26 -3.529 -4.591 -0.420 1.00 0.00 C ATOM 405 C TYR A 26 -3.377 -3.600 0.723 1.00 0.00 C ATOM 406 O TYR A 26 -4.057 -3.703 1.744 1.00 0.00 O ATOM 407 CB TYR A 26 -4.199 -3.909 -1.609 1.00 0.00 C ATOM 408 CG TYR A 26 -4.222 -4.755 -2.862 1.00 0.00 C ATOM 409 CD1 TYR A 26 -5.206 -5.713 -3.062 1.00 0.00 C ATOM 410 CD2 TYR A 26 -3.253 -4.592 -3.845 1.00 0.00 C ATOM 411 CE1 TYR A 26 -5.223 -6.488 -4.208 1.00 0.00 C ATOM 412 CE2 TYR A 26 -3.265 -5.360 -4.991 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.252 -6.307 -5.169 1.00 0.00 C ATOM 414 OH TYR A 26 -4.266 -7.075 -6.310 1.00 0.00 O ATOM 0 H TYR A 26 -5.204 -5.534 0.411 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.542 -4.934 -0.728 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.222 -3.649 -1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.679 -2.975 -1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.970 -5.856 -2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.478 -3.852 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.994 -7.231 -4.349 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.505 -5.220 -5.745 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.304 -8.023 -6.066 1.00 0.00 H new ATOM 424 N MET A 27 -2.481 -2.644 0.543 1.00 0.00 N ATOM 425 CA MET A 27 -2.229 -1.628 1.556 1.00 0.00 C ATOM 426 C MET A 27 -2.205 -0.242 0.928 1.00 0.00 C ATOM 427 O MET A 27 -1.790 -0.084 -0.222 1.00 0.00 O ATOM 428 CB MET A 27 -0.898 -1.902 2.259 1.00 0.00 C ATOM 429 CG MET A 27 -0.904 -3.174 3.089 1.00 0.00 C ATOM 430 SD MET A 27 -0.255 -2.919 4.752 1.00 0.00 S ATOM 431 CE MET A 27 1.146 -4.031 4.732 1.00 0.00 C ATOM 0 H MET A 27 -1.913 -2.549 -0.299 1.00 0.00 H new ATOM 0 HA MET A 27 -3.035 -1.667 2.289 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.108 -1.969 1.511 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.656 -1.057 2.904 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.923 -3.556 3.155 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.310 -3.936 2.584 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.977 -4.842 5.440 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.269 -4.443 3.731 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.047 -3.486 5.013 1.00 0.00 H new ATOM 441 N ILE A 28 -2.650 0.761 1.679 1.00 0.00 N ATOM 442 CA ILE A 28 -2.665 2.128 1.166 1.00 0.00 C ATOM 443 C ILE A 28 -1.268 2.741 1.211 1.00 0.00 C ATOM 444 O ILE A 28 -0.647 2.835 2.273 1.00 0.00 O ATOM 445 CB ILE A 28 -3.651 3.027 1.935 1.00 0.00 C ATOM 446 CG1 ILE A 28 -4.988 2.309 2.121 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.855 4.334 1.185 1.00 0.00 C ATOM 448 CD1 ILE A 28 -6.045 3.159 2.795 1.00 0.00 C ATOM 0 H ILE A 28 -3.000 0.657 2.631 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.001 2.070 0.131 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.235 3.246 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.358 1.990 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.827 1.408 2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.554 4.964 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.900 4.850 1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.258 4.126 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.966 2.584 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.696 3.457 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.235 4.048 2.194 1.00 0.00 H new ATOM 460 N GLY A 29 -0.775 3.149 0.042 1.00 0.00 N ATOM 461 CA GLY A 29 0.554 3.729 -0.048 1.00 0.00 C ATOM 462 C GLY A 29 0.750 4.908 0.881 1.00 0.00 C ATOM 463 O GLY A 29 1.872 5.189 1.302 1.00 0.00 O ATOM 0 H GLY A 29 -1.275 3.087 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.295 2.964 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.736 4.048 -1.074 1.00 0.00 H new ATOM 467 N SER A 30 -0.335 5.590 1.217 1.00 0.00 N ATOM 468 CA SER A 30 -0.257 6.729 2.119 1.00 0.00 C ATOM 469 C SER A 30 0.232 6.273 3.490 1.00 0.00 C ATOM 470 O SER A 30 1.080 6.920 4.112 1.00 0.00 O ATOM 471 CB SER A 30 -1.623 7.406 2.248 1.00 0.00 C ATOM 472 OG SER A 30 -1.751 8.474 1.325 1.00 0.00 O ATOM 0 H SER A 30 -1.274 5.376 0.881 1.00 0.00 H new ATOM 0 HA SER A 30 0.450 7.451 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.413 6.675 2.075 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.752 7.781 3.263 1.00 0.00 H new ATOM 0 HG SER A 30 -2.633 8.890 1.426 1.00 0.00 H new ATOM 478 N GLU A 31 -0.296 5.140 3.944 1.00 0.00 N ATOM 479 CA GLU A 31 0.093 4.584 5.231 1.00 0.00 C ATOM 480 C GLU A 31 1.506 4.033 5.155 1.00 0.00 C ATOM 481 O GLU A 31 2.309 4.221 6.069 1.00 0.00 O ATOM 482 CB GLU A 31 -0.882 3.487 5.659 1.00 0.00 C ATOM 483 CG GLU A 31 -2.201 4.024 6.189 1.00 0.00 C ATOM 484 CD GLU A 31 -2.314 3.908 7.697 1.00 0.00 C ATOM 485 OE1 GLU A 31 -2.067 2.804 8.227 1.00 0.00 O ATOM 486 OE2 GLU A 31 -2.647 4.921 8.347 1.00 0.00 O ATOM 0 H GLU A 31 -0.993 4.592 3.439 1.00 0.00 H new ATOM 0 HA GLU A 31 0.064 5.379 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.079 2.835 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.412 2.874 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.306 5.070 5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.024 3.481 5.724 1.00 0.00 H new ATOM 493 N VAL A 32 1.808 3.365 4.050 1.00 0.00 N ATOM 494 CA VAL A 32 3.130 2.800 3.842 1.00 0.00 C ATOM 495 C VAL A 32 4.178 3.904 3.801 1.00 0.00 C ATOM 496 O VAL A 32 5.268 3.764 4.355 1.00 0.00 O ATOM 497 CB VAL A 32 3.200 1.985 2.535 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.544 1.284 2.411 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.059 0.980 2.470 1.00 0.00 C ATOM 0 H VAL A 32 1.154 3.202 3.285 1.00 0.00 H new ATOM 0 HA VAL A 32 3.332 2.131 4.678 1.00 0.00 H new ATOM 0 HB VAL A 32 3.097 2.673 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.573 0.714 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.342 2.026 2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.681 0.608 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.125 0.414 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.127 0.297 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.106 1.508 2.506 1.00 0.00 H new ATOM 509 N GLY A 33 3.835 5.006 3.143 1.00 0.00 N ATOM 510 CA GLY A 33 4.750 6.124 3.043 1.00 0.00 C ATOM 511 C GLY A 33 5.059 6.739 4.394 1.00 0.00 C ATOM 512 O GLY A 33 6.224 6.913 4.750 1.00 0.00 O ATOM 0 H GLY A 33 2.938 5.143 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.678 5.791 2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.321 6.884 2.390 1.00 0.00 H new ATOM 516 N ASN A 34 4.020 7.055 5.163 1.00 0.00 N ATOM 517 CA ASN A 34 4.224 7.638 6.484 1.00 0.00 C ATOM 518 C ASN A 34 4.922 6.633 7.397 1.00 0.00 C ATOM 519 O ASN A 34 5.712 7.007 8.264 1.00 0.00 O ATOM 520 CB ASN A 34 2.901 8.118 7.095 1.00 0.00 C ATOM 521 CG ASN A 34 1.944 6.992 7.442 1.00 0.00 C ATOM 522 OD1 ASN A 34 2.350 5.922 7.889 1.00 0.00 O ATOM 523 ND2 ASN A 34 0.653 7.238 7.247 1.00 0.00 N ATOM 0 H ASN A 34 3.044 6.920 4.899 1.00 0.00 H new ATOM 0 HA ASN A 34 4.864 8.514 6.378 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.115 8.692 7.997 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.412 8.795 6.395 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.041 6.525 7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.356 8.140 6.874 1.00 0.00 H new ATOM 530 N TYR A 35 4.626 5.354 7.186 1.00 0.00 N ATOM 531 CA TYR A 35 5.222 4.283 7.975 1.00 0.00 C ATOM 532 C TYR A 35 6.736 4.265 7.805 1.00 0.00 C ATOM 533 O TYR A 35 7.480 4.116 8.775 1.00 0.00 O ATOM 534 CB TYR A 35 4.631 2.941 7.536 1.00 0.00 C ATOM 535 CG TYR A 35 4.887 1.816 8.503 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.139 0.529 8.052 1.00 0.00 C ATOM 537 CD2 TYR A 35 4.871 2.042 9.869 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.370 -0.501 8.940 1.00 0.00 C ATOM 539 CE2 TYR A 35 5.103 1.021 10.762 1.00 0.00 C ATOM 540 CZ TYR A 35 5.353 -0.251 10.295 1.00 0.00 C ATOM 541 OH TYR A 35 5.583 -1.275 11.185 1.00 0.00 O ATOM 0 H TYR A 35 3.973 5.034 6.471 1.00 0.00 H new ATOM 0 HA TYR A 35 4.999 4.455 9.028 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.555 3.055 7.403 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.046 2.673 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.155 0.330 6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.673 3.037 10.240 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.563 -1.499 8.575 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.089 1.216 11.824 1.00 0.00 H new ATOM 0 HH TYR A 35 5.537 -0.929 12.101 1.00 0.00 H new ATOM 551 N LEU A 36 7.182 4.433 6.568 1.00 0.00 N ATOM 552 CA LEU A 36 8.609 4.452 6.266 1.00 0.00 C ATOM 553 C LEU A 36 9.153 5.883 6.283 1.00 0.00 C ATOM 554 O LEU A 36 10.354 6.101 6.126 1.00 0.00 O ATOM 555 CB LEU A 36 8.880 3.805 4.907 1.00 0.00 C ATOM 556 CG LEU A 36 8.440 2.343 4.789 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.397 2.176 3.692 1.00 0.00 C ATOM 558 CD2 LEU A 36 9.641 1.443 4.528 1.00 0.00 C ATOM 0 H LEU A 36 6.577 4.558 5.756 1.00 0.00 H new ATOM 0 HA LEU A 36 9.122 3.878 7.038 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.372 4.385 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.948 3.866 4.699 1.00 0.00 H new ATOM 0 HG LEU A 36 7.986 2.048 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.101 1.129 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.524 2.787 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.818 2.493 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.309 0.408 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.125 1.743 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.349 1.534 5.351 1.00 0.00 H new ATOM 570 N ARG A 37 8.259 6.854 6.475 1.00 0.00 N ATOM 571 CA ARG A 37 8.642 8.261 6.516 1.00 0.00 C ATOM 572 C ARG A 37 9.095 8.758 5.148 1.00 0.00 C ATOM 573 O ARG A 37 9.944 9.644 5.049 1.00 0.00 O ATOM 574 CB ARG A 37 9.755 8.484 7.544 1.00 0.00 C ATOM 575 CG ARG A 37 9.759 9.881 8.141 1.00 0.00 C ATOM 576 CD ARG A 37 10.397 9.894 9.522 1.00 0.00 C ATOM 577 NE ARG A 37 10.989 11.190 9.839 1.00 0.00 N ATOM 578 CZ ARG A 37 10.289 12.247 10.242 1.00 0.00 C ATOM 579 NH1 ARG A 37 8.971 12.167 10.375 1.00 0.00 N ATOM 580 NH2 ARG A 37 10.908 13.389 10.512 1.00 0.00 N ATOM 0 H ARG A 37 7.261 6.688 6.605 1.00 0.00 H new ATOM 0 HA ARG A 37 7.761 8.831 6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.648 7.755 8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.719 8.297 7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.302 10.558 7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.736 10.253 8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.645 9.646 10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.165 9.122 9.574 1.00 0.00 H new ATOM 0 HE ARG A 37 12.000 11.291 9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.490 11.292 10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.439 12.981 10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.921 13.457 10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.371 14.199 10.821 1.00 0.00 H new ATOM 594 N MET A 38 8.512 8.196 4.094 1.00 0.00 N ATOM 595 CA MET A 38 8.847 8.602 2.737 1.00 0.00 C ATOM 596 C MET A 38 7.768 9.528 2.186 1.00 0.00 C ATOM 597 O MET A 38 6.584 9.191 2.199 1.00 0.00 O ATOM 598 CB MET A 38 8.998 7.376 1.833 1.00 0.00 C ATOM 599 CG MET A 38 10.069 6.404 2.300 1.00 0.00 C ATOM 600 SD MET A 38 11.676 6.731 1.550 1.00 0.00 S ATOM 601 CE MET A 38 11.702 5.495 0.254 1.00 0.00 C ATOM 0 H MET A 38 7.808 7.461 4.155 1.00 0.00 H new ATOM 0 HA MET A 38 9.797 9.137 2.759 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.043 6.854 1.781 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.236 7.707 0.822 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.160 6.463 3.385 1.00 0.00 H new ATOM 0 HG3 MET A 38 9.761 5.386 2.060 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.567 5.660 -0.389 1.00 0.00 H new ATOM 0 HE2 MET A 38 11.765 4.502 0.699 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.790 5.570 -0.339 1.00 0.00 H new ATOM 611 N PHE A 39 8.181 10.699 1.713 1.00 0.00 N ATOM 612 CA PHE A 39 7.242 11.675 1.172 1.00 0.00 C ATOM 613 C PHE A 39 7.650 12.111 -0.232 1.00 0.00 C ATOM 614 O PHE A 39 8.705 11.721 -0.732 1.00 0.00 O ATOM 615 CB PHE A 39 7.149 12.887 2.101 1.00 0.00 C ATOM 616 CG PHE A 39 7.174 12.524 3.560 1.00 0.00 C ATOM 617 CD1 PHE A 39 8.370 12.505 4.261 1.00 0.00 C ATOM 618 CD2 PHE A 39 6.005 12.196 4.229 1.00 0.00 C ATOM 619 CE1 PHE A 39 8.400 12.165 5.600 1.00 0.00 C ATOM 620 CE2 PHE A 39 6.029 11.857 5.569 1.00 0.00 C ATOM 621 CZ PHE A 39 7.228 11.842 6.256 1.00 0.00 C ATOM 0 H PHE A 39 9.157 10.995 1.693 1.00 0.00 H new ATOM 0 HA PHE A 39 6.261 11.204 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.977 13.563 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.230 13.431 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.289 12.759 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.065 12.205 3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.339 12.152 6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.111 11.604 6.079 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.249 11.578 7.303 1.00 0.00 H new ATOM 631 N ARG A 40 6.807 12.923 -0.864 1.00 0.00 N ATOM 632 CA ARG A 40 7.079 13.413 -2.211 1.00 0.00 C ATOM 633 C ARG A 40 7.262 12.251 -3.184 1.00 0.00 C ATOM 634 O ARG A 40 8.050 12.333 -4.125 1.00 0.00 O ATOM 635 CB ARG A 40 8.328 14.301 -2.209 1.00 0.00 C ATOM 636 CG ARG A 40 8.035 15.760 -2.525 1.00 0.00 C ATOM 637 CD ARG A 40 7.521 15.933 -3.946 1.00 0.00 C ATOM 638 NE ARG A 40 8.270 16.951 -4.678 1.00 0.00 N ATOM 639 CZ ARG A 40 9.459 16.739 -5.239 1.00 0.00 C ATOM 640 NH1 ARG A 40 10.038 15.548 -5.151 1.00 0.00 N ATOM 641 NH2 ARG A 40 10.071 17.720 -5.887 1.00 0.00 N ATOM 0 H ARG A 40 5.929 13.255 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 40 6.224 14.004 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.807 14.238 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.040 13.915 -2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.297 16.144 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.941 16.351 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.589 14.982 -4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.467 16.208 -3.919 1.00 0.00 H new ATOM 0 HE ARG A 40 7.858 17.880 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.572 14.790 -4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.949 15.391 -5.582 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.631 18.638 -5.956 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.982 17.557 -6.317 1.00 0.00 H new ATOM 655 N GLY A 41 6.529 11.169 -2.946 1.00 0.00 N ATOM 656 CA GLY A 41 6.626 10.005 -3.807 1.00 0.00 C ATOM 657 C GLY A 41 7.920 9.239 -3.604 1.00 0.00 C ATOM 658 O GLY A 41 8.326 8.457 -4.463 1.00 0.00 O ATOM 0 H GLY A 41 5.870 11.077 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.782 9.343 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.553 10.320 -4.848 1.00 0.00 H new ATOM 662 N SER A 42 8.569 9.465 -2.465 1.00 0.00 N ATOM 663 CA SER A 42 9.824 8.791 -2.152 1.00 0.00 C ATOM 664 C SER A 42 9.646 7.277 -2.158 1.00 0.00 C ATOM 665 O SER A 42 10.557 6.537 -2.531 1.00 0.00 O ATOM 666 CB SER A 42 10.346 9.249 -0.789 1.00 0.00 C ATOM 667 OG SER A 42 11.122 10.428 -0.910 1.00 0.00 O ATOM 0 H SER A 42 8.246 10.110 -1.744 1.00 0.00 H new ATOM 0 HA SER A 42 10.551 9.056 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.507 9.429 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.948 8.458 -0.342 1.00 0.00 H new ATOM 0 HG SER A 42 10.533 11.211 -0.887 1.00 0.00 H new ATOM 673 N LEU A 43 8.468 6.821 -1.744 1.00 0.00 N ATOM 674 CA LEU A 43 8.173 5.393 -1.703 1.00 0.00 C ATOM 675 C LEU A 43 8.172 4.801 -3.108 1.00 0.00 C ATOM 676 O LEU A 43 8.806 3.777 -3.363 1.00 0.00 O ATOM 677 CB LEU A 43 6.820 5.151 -1.034 1.00 0.00 C ATOM 678 CG LEU A 43 6.576 3.715 -0.567 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.115 3.513 0.840 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.093 3.381 -0.626 1.00 0.00 C ATOM 0 H LEU A 43 7.703 7.419 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 43 8.951 4.901 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.733 5.816 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.031 5.428 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 43 7.107 3.039 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.933 2.486 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.187 3.711 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.613 4.197 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.937 2.356 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.541 4.062 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.737 3.485 -1.651 1.00 0.00 H new ATOM 692 N TYR A 44 7.458 5.454 -4.018 1.00 0.00 N ATOM 693 CA TYR A 44 7.377 4.994 -5.399 1.00 0.00 C ATOM 694 C TYR A 44 8.699 5.221 -6.123 1.00 0.00 C ATOM 695 O TYR A 44 9.103 4.418 -6.963 1.00 0.00 O ATOM 696 CB TYR A 44 6.242 5.710 -6.130 1.00 0.00 C ATOM 697 CG TYR A 44 4.879 5.430 -5.538 1.00 0.00 C ATOM 698 CD1 TYR A 44 4.036 6.466 -5.159 1.00 0.00 C ATOM 699 CD2 TYR A 44 4.437 4.125 -5.355 1.00 0.00 C ATOM 700 CE1 TYR A 44 2.792 6.212 -4.613 1.00 0.00 C ATOM 701 CE2 TYR A 44 3.195 3.862 -4.812 1.00 0.00 C ATOM 702 CZ TYR A 44 2.376 4.908 -4.442 1.00 0.00 C ATOM 703 OH TYR A 44 1.138 4.649 -3.901 1.00 0.00 O ATOM 0 H TYR A 44 6.927 6.303 -3.824 1.00 0.00 H new ATOM 0 HA TYR A 44 7.170 3.924 -5.392 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.426 6.784 -6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.245 5.407 -7.177 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.358 7.488 -5.293 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.076 3.303 -5.642 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.149 7.030 -4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.867 2.842 -4.678 1.00 0.00 H new ATOM 0 HH TYR A 44 0.687 5.495 -3.696 1.00 0.00 H new ATOM 713 N LYS A 45 9.374 6.315 -5.785 1.00 0.00 N ATOM 714 CA LYS A 45 10.657 6.636 -6.397 1.00 0.00 C ATOM 715 C LYS A 45 11.723 5.645 -5.943 1.00 0.00 C ATOM 716 O LYS A 45 12.617 5.283 -6.706 1.00 0.00 O ATOM 717 CB LYS A 45 11.078 8.064 -6.042 1.00 0.00 C ATOM 718 CG LYS A 45 11.595 8.860 -7.230 1.00 0.00 C ATOM 719 CD LYS A 45 12.729 9.789 -6.827 1.00 0.00 C ATOM 720 CE LYS A 45 14.086 9.203 -7.185 1.00 0.00 C ATOM 721 NZ LYS A 45 14.825 8.737 -5.979 1.00 0.00 N ATOM 0 H LYS A 45 9.054 6.992 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 45 10.550 6.564 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.226 8.587 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.853 8.026 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.941 8.176 -8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.781 9.443 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.605 10.752 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.684 9.975 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.951 8.368 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.679 9.954 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.745 8.345 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.976 9.538 -5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.271 8.002 -5.495 1.00 0.00 H new ATOM 735 N ARG A 46 11.610 5.205 -4.693 1.00 0.00 N ATOM 736 CA ARG A 46 12.554 4.246 -4.130 1.00 0.00 C ATOM 737 C ARG A 46 12.123 2.814 -4.445 1.00 0.00 C ATOM 738 O ARG A 46 12.926 1.884 -4.369 1.00 0.00 O ATOM 739 CB ARG A 46 12.666 4.438 -2.616 1.00 0.00 C ATOM 740 CG ARG A 46 13.900 3.788 -2.009 1.00 0.00 C ATOM 741 CD ARG A 46 15.174 4.503 -2.435 1.00 0.00 C ATOM 742 NE ARG A 46 15.733 5.316 -1.358 1.00 0.00 N ATOM 743 CZ ARG A 46 16.612 6.298 -1.549 1.00 0.00 C ATOM 744 NH1 ARG A 46 17.033 6.592 -2.774 1.00 0.00 N ATOM 745 NH2 ARG A 46 17.070 6.987 -0.515 1.00 0.00 N ATOM 0 H ARG A 46 10.874 5.498 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 46 13.530 4.422 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.681 5.505 -2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.777 4.026 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.821 3.800 -0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.949 2.743 -2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.912 3.768 -2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.963 5.138 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 46 15.432 5.120 -0.403 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.683 6.065 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.706 7.345 -2.915 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.750 6.766 0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.743 7.739 -0.661 1.00 0.00 H new ATOM 759 N TYR A 47 10.850 2.647 -4.802 1.00 0.00 N ATOM 760 CA TYR A 47 10.312 1.332 -5.133 1.00 0.00 C ATOM 761 C TYR A 47 9.455 1.396 -6.400 1.00 0.00 C ATOM 762 O TYR A 47 8.261 1.093 -6.364 1.00 0.00 O ATOM 763 CB TYR A 47 9.474 0.801 -3.968 1.00 0.00 C ATOM 764 CG TYR A 47 10.262 0.585 -2.697 1.00 0.00 C ATOM 765 CD1 TYR A 47 11.004 -0.572 -2.515 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.258 1.531 -1.681 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.722 -0.783 -1.355 1.00 0.00 C ATOM 768 CE2 TYR A 47 10.976 1.329 -0.517 1.00 0.00 C ATOM 769 CZ TYR A 47 11.706 0.171 -0.359 1.00 0.00 C ATOM 770 OH TYR A 47 12.420 -0.035 0.799 1.00 0.00 O ATOM 0 H TYR A 47 10.173 3.407 -4.869 1.00 0.00 H new ATOM 0 HA TYR A 47 11.148 0.657 -5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.664 1.502 -3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.014 -0.142 -4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.021 -1.320 -3.293 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.685 2.439 -1.802 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.293 -1.691 -1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.965 2.075 0.264 1.00 0.00 H new ATOM 0 HH TYR A 47 12.825 -0.927 0.779 1.00 0.00 H new ATOM 780 N PRO A 48 10.047 1.795 -7.542 1.00 0.00 N ATOM 781 CA PRO A 48 9.317 1.898 -8.811 1.00 0.00 C ATOM 782 C PRO A 48 8.824 0.545 -9.316 1.00 0.00 C ATOM 783 O PRO A 48 7.814 0.469 -10.016 1.00 0.00 O ATOM 784 CB PRO A 48 10.344 2.492 -9.784 1.00 0.00 C ATOM 785 CG PRO A 48 11.438 3.034 -8.927 1.00 0.00 C ATOM 786 CD PRO A 48 11.459 2.178 -7.694 1.00 0.00 C ATOM 0 HA PRO A 48 8.418 2.505 -8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.721 1.732 -10.468 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.898 3.277 -10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.396 2.995 -9.446 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.255 4.078 -8.674 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.104 1.308 -7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.825 2.727 -6.826 1.00 0.00 H new ATOM 794 N SER A 49 9.534 -0.523 -8.959 1.00 0.00 N ATOM 795 CA SER A 49 9.147 -1.865 -9.382 1.00 0.00 C ATOM 796 C SER A 49 7.998 -2.397 -8.524 1.00 0.00 C ATOM 797 O SER A 49 7.483 -3.489 -8.766 1.00 0.00 O ATOM 798 CB SER A 49 10.345 -2.815 -9.303 1.00 0.00 C ATOM 799 OG SER A 49 10.550 -3.479 -10.538 1.00 0.00 O ATOM 0 H SER A 49 10.374 -0.485 -8.382 1.00 0.00 H new ATOM 0 HA SER A 49 8.807 -1.809 -10.416 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.241 -2.255 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.180 -3.549 -8.514 1.00 0.00 H new ATOM 0 HG SER A 49 11.321 -4.079 -10.463 1.00 0.00 H new ATOM 805 N LEU A 50 7.606 -1.617 -7.520 1.00 0.00 N ATOM 806 CA LEU A 50 6.528 -1.999 -6.620 1.00 0.00 C ATOM 807 C LEU A 50 5.162 -1.838 -7.282 1.00 0.00 C ATOM 808 O LEU A 50 4.919 -0.875 -8.010 1.00 0.00 O ATOM 809 CB LEU A 50 6.598 -1.153 -5.353 1.00 0.00 C ATOM 810 CG LEU A 50 5.872 -1.727 -4.140 1.00 0.00 C ATOM 811 CD1 LEU A 50 6.740 -2.762 -3.445 1.00 0.00 C ATOM 812 CD2 LEU A 50 5.497 -0.613 -3.179 1.00 0.00 C ATOM 0 H LEU A 50 8.024 -0.711 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 50 6.652 -3.052 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.646 -1.007 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.183 -0.169 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 50 4.958 -2.216 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.208 -3.162 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.967 -3.572 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.668 -2.296 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.979 -1.035 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.400 -0.101 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.842 0.098 -3.683 1.00 0.00 H new ATOM 824 N TRP A 51 4.275 -2.790 -7.017 1.00 0.00 N ATOM 825 CA TRP A 51 2.927 -2.773 -7.574 1.00 0.00 C ATOM 826 C TRP A 51 2.104 -1.643 -6.964 1.00 0.00 C ATOM 827 O TRP A 51 1.927 -1.580 -5.746 1.00 0.00 O ATOM 828 CB TRP A 51 2.230 -4.110 -7.304 1.00 0.00 C ATOM 829 CG TRP A 51 0.865 -4.197 -7.916 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.534 -4.742 -9.122 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.354 -3.718 -7.344 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.820 -4.627 -9.335 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.386 -4.001 -8.255 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.668 -3.076 -6.145 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.713 -3.662 -8.002 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -1.982 -2.740 -5.893 1.00 0.00 C ATOM 837 CH2 TRP A 51 -2.991 -3.033 -6.819 1.00 0.00 C ATOM 0 H TRP A 51 4.467 -3.590 -6.414 1.00 0.00 H new ATOM 0 HA TRP A 51 3.006 -2.612 -8.649 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.848 -4.920 -7.692 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.149 -4.259 -6.227 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.233 -5.197 -9.809 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.321 -4.954 -10.161 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.105 -2.846 -5.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.494 -3.887 -8.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.236 -2.244 -4.968 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.011 -2.757 -6.595 1.00 0.00 H new ATOM 848 N ARG A 52 1.596 -0.756 -7.813 1.00 0.00 N ATOM 849 CA ARG A 52 0.787 0.368 -7.353 1.00 0.00 C ATOM 850 C ARG A 52 -0.399 0.598 -8.284 1.00 0.00 C ATOM 851 O ARG A 52 -0.266 0.519 -9.505 1.00 0.00 O ATOM 852 CB ARG A 52 1.637 1.635 -7.270 1.00 0.00 C ATOM 853 CG ARG A 52 2.493 1.876 -8.504 1.00 0.00 C ATOM 854 CD ARG A 52 2.134 3.186 -9.189 1.00 0.00 C ATOM 855 NE ARG A 52 2.862 4.318 -8.621 1.00 0.00 N ATOM 856 CZ ARG A 52 2.543 5.591 -8.844 1.00 0.00 C ATOM 857 NH1 ARG A 52 1.511 5.897 -9.621 1.00 0.00 N ATOM 858 NH2 ARG A 52 3.258 6.560 -8.290 1.00 0.00 N ATOM 0 H ARG A 52 1.730 -0.793 -8.823 1.00 0.00 H new ATOM 0 HA ARG A 52 0.407 0.129 -6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.982 2.493 -7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.285 1.571 -6.396 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.545 1.890 -8.220 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.363 1.051 -9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.355 3.111 -10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.062 3.361 -9.097 1.00 0.00 H new ATOM 0 HE ARG A 52 3.661 4.122 -8.018 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.958 5.155 -10.050 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.271 6.874 -9.789 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.052 6.330 -7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.014 7.535 -8.461 1.00 0.00 H new ATOM 872 N ARG A 53 -1.560 0.881 -7.701 1.00 0.00 N ATOM 873 CA ARG A 53 -2.767 1.119 -8.484 1.00 0.00 C ATOM 874 C ARG A 53 -3.708 2.090 -7.784 1.00 0.00 C ATOM 875 O ARG A 53 -3.563 2.373 -6.595 1.00 0.00 O ATOM 876 CB ARG A 53 -3.493 -0.197 -8.743 1.00 0.00 C ATOM 877 CG ARG A 53 -2.914 -0.976 -9.905 1.00 0.00 C ATOM 878 CD ARG A 53 -3.996 -1.706 -10.687 1.00 0.00 C ATOM 879 NE ARG A 53 -3.574 -3.047 -11.082 1.00 0.00 N ATOM 880 CZ ARG A 53 -2.782 -3.298 -12.123 1.00 0.00 C ATOM 881 NH1 ARG A 53 -2.323 -2.304 -12.873 1.00 0.00 N ATOM 882 NH2 ARG A 53 -2.447 -4.547 -12.413 1.00 0.00 N ATOM 0 H ARG A 53 -1.690 0.951 -6.692 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.462 1.564 -9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.450 -0.812 -7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.545 0.008 -8.939 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.381 -0.296 -10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.185 -1.696 -9.533 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.899 -1.774 -10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.252 -1.130 -11.576 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.905 -3.837 -10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.576 -1.341 -12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.717 -2.503 -13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.796 -5.315 -11.839 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.841 -4.740 -13.210 1.00 0.00 H new ATOM 896 N LEU A 54 -4.682 2.587 -8.536 1.00 0.00 N ATOM 897 CA LEU A 54 -5.668 3.519 -8.004 1.00 0.00 C ATOM 898 C LEU A 54 -6.931 2.775 -7.585 1.00 0.00 C ATOM 899 O LEU A 54 -7.250 1.720 -8.132 1.00 0.00 O ATOM 900 CB LEU A 54 -6.010 4.581 -9.051 1.00 0.00 C ATOM 901 CG LEU A 54 -5.066 5.782 -9.084 1.00 0.00 C ATOM 902 CD1 LEU A 54 -4.447 5.945 -10.464 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.797 7.052 -8.672 1.00 0.00 C ATOM 0 H LEU A 54 -4.810 2.358 -9.522 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.243 4.009 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.012 4.112 -10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.023 4.939 -8.866 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.263 5.601 -8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.779 6.806 -10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.883 5.048 -10.718 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.236 6.098 -11.201 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.107 7.895 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.624 7.235 -9.358 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.185 6.937 -7.660 1.00 0.00 H new ATOM 915 N ALA A 55 -7.645 3.322 -6.606 1.00 0.00 N ATOM 916 CA ALA A 55 -8.867 2.696 -6.117 1.00 0.00 C ATOM 917 C ALA A 55 -10.109 3.464 -6.556 1.00 0.00 C ATOM 918 O ALA A 55 -10.171 4.688 -6.444 1.00 0.00 O ATOM 919 CB ALA A 55 -8.829 2.577 -4.602 1.00 0.00 C ATOM 0 H ALA A 55 -7.399 4.194 -6.138 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.924 1.698 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.748 2.108 -4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.975 1.968 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.737 3.570 -4.161 1.00 0.00 H new ATOM 925 N THR A 56 -11.102 2.729 -7.048 1.00 0.00 N ATOM 926 CA THR A 56 -12.356 3.322 -7.498 1.00 0.00 C ATOM 927 C THR A 56 -13.176 3.800 -6.307 1.00 0.00 C ATOM 928 O THR A 56 -12.839 3.512 -5.164 1.00 0.00 O ATOM 929 CB THR A 56 -13.165 2.300 -8.296 1.00 0.00 C ATOM 930 OG1 THR A 56 -13.779 1.364 -7.424 1.00 0.00 O ATOM 931 CG2 THR A 56 -12.335 1.524 -9.295 1.00 0.00 C ATOM 0 H THR A 56 -11.061 1.714 -7.145 1.00 0.00 H new ATOM 0 HA THR A 56 -12.123 4.175 -8.135 1.00 0.00 H new ATOM 0 HB THR A 56 -13.908 2.880 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.295 0.717 -7.949 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.972 0.817 -9.826 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.885 2.214 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.549 0.981 -8.771 1.00 0.00 H new ATOM 939 N VAL A 57 -14.261 4.519 -6.577 1.00 0.00 N ATOM 940 CA VAL A 57 -15.122 5.009 -5.508 1.00 0.00 C ATOM 941 C VAL A 57 -15.669 3.840 -4.694 1.00 0.00 C ATOM 942 O VAL A 57 -15.860 3.942 -3.481 1.00 0.00 O ATOM 943 CB VAL A 57 -16.297 5.840 -6.058 1.00 0.00 C ATOM 944 CG1 VAL A 57 -17.101 6.452 -4.919 1.00 0.00 C ATOM 945 CG2 VAL A 57 -15.792 6.921 -7.003 1.00 0.00 C ATOM 0 H VAL A 57 -14.562 4.773 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.515 5.653 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.954 5.176 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.926 7.035 -5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.497 5.658 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.457 7.102 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.636 7.497 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.111 7.583 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.266 6.458 -7.838 1.00 0.00 H new ATOM 955 N GLU A 58 -15.901 2.721 -5.370 1.00 0.00 N ATOM 956 CA GLU A 58 -16.400 1.524 -4.707 1.00 0.00 C ATOM 957 C GLU A 58 -15.308 0.932 -3.824 1.00 0.00 C ATOM 958 O GLU A 58 -15.545 0.589 -2.663 1.00 0.00 O ATOM 959 CB GLU A 58 -16.863 0.494 -5.740 1.00 0.00 C ATOM 960 CG GLU A 58 -18.367 0.494 -5.966 1.00 0.00 C ATOM 961 CD GLU A 58 -18.884 -0.852 -6.434 1.00 0.00 C ATOM 962 OE1 GLU A 58 -19.883 -0.875 -7.183 1.00 0.00 O ATOM 963 OE2 GLU A 58 -18.291 -1.882 -6.052 1.00 0.00 O ATOM 0 H GLU A 58 -15.752 2.618 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.254 1.794 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -16.361 0.691 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -16.553 -0.499 -5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.870 0.771 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.620 1.254 -6.705 1.00 0.00 H new ATOM 970 N GLU A 59 -14.106 0.822 -4.385 1.00 0.00 N ATOM 971 CA GLU A 59 -12.967 0.279 -3.657 1.00 0.00 C ATOM 972 C GLU A 59 -12.623 1.151 -2.452 1.00 0.00 C ATOM 973 O GLU A 59 -12.442 0.648 -1.346 1.00 0.00 O ATOM 974 CB GLU A 59 -11.753 0.162 -4.580 1.00 0.00 C ATOM 975 CG GLU A 59 -11.887 -0.935 -5.625 1.00 0.00 C ATOM 976 CD GLU A 59 -10.656 -1.058 -6.500 1.00 0.00 C ATOM 977 OE1 GLU A 59 -10.246 -0.038 -7.093 1.00 0.00 O ATOM 978 OE2 GLU A 59 -10.102 -2.174 -6.592 1.00 0.00 O ATOM 0 H GLU A 59 -13.898 1.103 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.238 -0.714 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.597 1.116 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.865 -0.029 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.071 -1.887 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.755 -0.731 -6.252 1.00 0.00 H new ATOM 985 N ARG A 60 -12.542 2.461 -2.672 1.00 0.00 N ATOM 986 CA ARG A 60 -12.225 3.394 -1.599 1.00 0.00 C ATOM 987 C ARG A 60 -13.282 3.317 -0.506 1.00 0.00 C ATOM 988 O ARG A 60 -12.963 3.367 0.683 1.00 0.00 O ATOM 989 CB ARG A 60 -12.114 4.825 -2.139 1.00 0.00 C ATOM 990 CG ARG A 60 -13.436 5.410 -2.604 1.00 0.00 C ATOM 991 CD ARG A 60 -14.185 6.085 -1.465 1.00 0.00 C ATOM 992 NE ARG A 60 -14.755 7.367 -1.871 1.00 0.00 N ATOM 993 CZ ARG A 60 -15.786 7.949 -1.262 1.00 0.00 C ATOM 994 NH1 ARG A 60 -16.359 7.371 -0.212 1.00 0.00 N ATOM 995 NH2 ARG A 60 -16.245 9.112 -1.701 1.00 0.00 N ATOM 0 H ARG A 60 -12.691 2.898 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.261 3.116 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.698 5.465 -1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.410 4.836 -2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.254 6.133 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.055 4.619 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.981 5.428 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.507 6.239 -0.626 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.338 7.845 -2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.009 6.477 0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.149 7.822 0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.808 9.562 -2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.035 9.558 -1.234 1.00 0.00 H new ATOM 1009 N LYS A 61 -14.541 3.172 -0.911 1.00 0.00 N ATOM 1010 CA LYS A 61 -15.633 3.060 0.045 1.00 0.00 C ATOM 1011 C LYS A 61 -15.385 1.871 0.966 1.00 0.00 C ATOM 1012 O LYS A 61 -15.475 1.985 2.189 1.00 0.00 O ATOM 1013 CB LYS A 61 -16.970 2.899 -0.683 1.00 0.00 C ATOM 1014 CG LYS A 61 -17.915 4.074 -0.486 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.386 4.650 -1.815 1.00 0.00 C ATOM 1016 CE LYS A 61 -19.903 4.728 -1.883 1.00 0.00 C ATOM 1017 NZ LYS A 61 -20.363 5.771 -2.843 1.00 0.00 N ATOM 0 H LYS A 61 -14.827 3.130 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.678 3.972 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.781 2.770 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.457 1.989 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.778 3.753 0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.413 4.852 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.963 5.645 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.016 4.031 -2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.303 3.759 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.300 4.946 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.403 5.793 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.002 6.700 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.006 5.549 -3.794 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.050 0.733 0.364 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.761 -0.476 1.121 1.00 0.00 C ATOM 1033 C LYS A 62 -13.469 -0.307 1.916 1.00 0.00 C ATOM 1034 O LYS A 62 -13.333 -0.823 3.024 1.00 0.00 O ATOM 1035 CB LYS A 62 -14.644 -1.679 0.182 1.00 0.00 C ATOM 1036 CG LYS A 62 -15.938 -2.462 0.032 1.00 0.00 C ATOM 1037 CD LYS A 62 -16.692 -2.061 -1.227 1.00 0.00 C ATOM 1038 CE LYS A 62 -17.121 -3.277 -2.032 1.00 0.00 C ATOM 1039 NZ LYS A 62 -18.383 -3.030 -2.783 1.00 0.00 N ATOM 0 H LYS A 62 -14.973 0.625 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.582 -0.652 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.323 -1.333 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.867 -2.346 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.717 -3.529 0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.569 -2.293 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.570 -1.475 -0.955 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -16.060 -1.421 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.330 -3.547 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.258 -4.126 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.641 -3.883 -3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.145 -2.797 -2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -18.246 -2.237 -3.441 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.519 6.532 -3.717 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.745 5.680 -2.822 1.00 0.00 C ATOM 1431 C VAL A 88 -5.698 4.879 -3.589 1.00 0.00 C ATOM 1432 O VAL A 88 -6.017 4.192 -4.560 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.653 4.702 -2.050 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -6.881 4.021 -0.929 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.874 5.424 -1.502 1.00 0.00 C ATOM 0 HA VAL A 88 -6.247 6.342 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.994 3.933 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.541 3.335 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.043 3.465 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.506 4.774 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.502 4.717 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.555 6.217 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.441 5.856 -2.326 1.00 0.00 H new ATOM 1445 N THR A 89 -4.450 4.968 -3.141 1.00 0.00 N ATOM 1446 CA THR A 89 -3.357 4.245 -3.778 1.00 0.00 C ATOM 1447 C THR A 89 -3.179 2.878 -3.127 1.00 0.00 C ATOM 1448 O THR A 89 -2.830 2.783 -1.951 1.00 0.00 O ATOM 1449 CB THR A 89 -2.057 5.046 -3.682 1.00 0.00 C ATOM 1450 OG1 THR A 89 -1.897 5.592 -2.383 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.981 6.186 -4.675 1.00 0.00 C ATOM 0 H THR A 89 -4.171 5.534 -2.339 1.00 0.00 H new ATOM 0 HA THR A 89 -3.603 4.105 -4.831 1.00 0.00 H new ATOM 0 HB THR A 89 -1.263 4.335 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.117 4.912 -1.713 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.034 6.712 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.048 5.791 -5.689 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.805 6.877 -4.499 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.435 1.823 -3.893 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.318 0.465 -3.379 1.00 0.00 C ATOM 1461 C LEU A 90 -1.972 -0.156 -3.734 1.00 0.00 C ATOM 1462 O LEU A 90 -1.402 0.123 -4.789 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.449 -0.406 -3.929 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.844 0.215 -3.838 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.208 0.899 -5.147 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.878 -0.842 -3.483 1.00 0.00 C ATOM 0 H LEU A 90 -3.724 1.883 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.391 0.516 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.237 -0.635 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.453 -1.353 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.836 0.965 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.203 1.335 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.484 1.685 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.198 0.167 -5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.864 -0.381 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.886 -1.616 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.627 -1.288 -2.521 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.476 -1.008 -2.842 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.201 -1.686 -3.046 1.00 0.00 C ATOM 1480 C LEU A 91 -0.319 -3.165 -2.687 1.00 0.00 C ATOM 1481 O LEU A 91 -1.192 -3.552 -1.910 1.00 0.00 O ATOM 1482 CB LEU A 91 0.881 -1.028 -2.195 1.00 0.00 C ATOM 1483 CG LEU A 91 1.540 0.206 -2.819 1.00 0.00 C ATOM 1484 CD1 LEU A 91 0.531 1.336 -2.963 1.00 0.00 C ATOM 1485 CD2 LEU A 91 2.728 0.652 -1.981 1.00 0.00 C ATOM 0 H LEU A 91 -1.941 -1.246 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 91 0.072 -1.604 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.445 -0.742 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.655 -1.766 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 91 1.899 -0.059 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.018 2.204 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.289 1.012 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.141 1.603 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.186 1.530 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.391 0.900 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.460 -0.154 -1.930 1.00 0.00 H new ATOM 1497 N LYS A 92 0.556 -3.993 -3.253 1.00 0.00 N ATOM 1498 CA LYS A 92 0.525 -5.427 -2.978 1.00 0.00 C ATOM 1499 C LYS A 92 0.970 -5.715 -1.545 1.00 0.00 C ATOM 1500 O LYS A 92 2.085 -5.369 -1.147 1.00 0.00 O ATOM 1501 CB LYS A 92 1.426 -6.170 -3.971 1.00 0.00 C ATOM 1502 CG LYS A 92 0.892 -6.167 -5.393 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.241 -7.164 -5.572 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.061 -7.994 -6.832 1.00 0.00 C ATOM 1505 NZ LYS A 92 -0.895 -9.228 -6.809 1.00 0.00 N ATOM 0 H LYS A 92 1.289 -3.699 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.500 -5.779 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.416 -5.714 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.547 -7.201 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.540 -5.167 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.699 -6.406 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.287 -7.823 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.191 -6.632 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.325 -7.394 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.989 -8.267 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.213 -9.450 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.332 -10.021 -6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.723 -9.076 -6.198 1.00 0.00 H new ATOM 1519 N ALA A 93 0.093 -6.357 -0.776 1.00 0.00 N ATOM 1520 CA ALA A 93 0.388 -6.692 0.616 1.00 0.00 C ATOM 1521 C ALA A 93 1.728 -7.402 0.747 1.00 0.00 C ATOM 1522 O ALA A 93 2.567 -7.022 1.563 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.723 -7.554 1.198 1.00 0.00 C ATOM 0 H ALA A 93 -0.829 -6.656 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 93 0.448 -5.760 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.490 -7.796 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.666 -7.009 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.809 -8.475 0.621 1.00 0.00 H new ATOM 1529 N SER A 94 1.920 -8.436 -0.061 1.00 0.00 N ATOM 1530 CA SER A 94 3.157 -9.202 -0.036 1.00 0.00 C ATOM 1531 C SER A 94 4.364 -8.302 -0.274 1.00 0.00 C ATOM 1532 O SER A 94 5.439 -8.533 0.279 1.00 0.00 O ATOM 1533 CB SER A 94 3.116 -10.309 -1.092 1.00 0.00 C ATOM 1534 OG SER A 94 2.811 -9.782 -2.372 1.00 0.00 O ATOM 0 H SER A 94 1.234 -8.763 -0.742 1.00 0.00 H new ATOM 0 HA SER A 94 3.254 -9.652 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.078 -10.820 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.370 -11.053 -0.814 1.00 0.00 H new ATOM 0 HG SER A 94 2.792 -10.509 -3.029 1.00 0.00 H new ATOM 1540 N GLU A 95 4.183 -7.273 -1.099 1.00 0.00 N ATOM 1541 CA GLU A 95 5.269 -6.350 -1.402 1.00 0.00 C ATOM 1542 C GLU A 95 5.646 -5.537 -0.172 1.00 0.00 C ATOM 1543 O GLU A 95 6.820 -5.444 0.190 1.00 0.00 O ATOM 1544 CB GLU A 95 4.866 -5.418 -2.541 1.00 0.00 C ATOM 1545 CG GLU A 95 5.325 -5.899 -3.906 1.00 0.00 C ATOM 1546 CD GLU A 95 4.590 -5.215 -5.040 1.00 0.00 C ATOM 1547 OE1 GLU A 95 4.774 -5.628 -6.203 1.00 0.00 O ATOM 1548 OE2 GLU A 95 3.834 -4.258 -4.766 1.00 0.00 O ATOM 0 H GLU A 95 3.301 -7.060 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 95 6.137 -6.933 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.781 -5.312 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.282 -4.428 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.395 -5.719 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.175 -6.976 -3.977 1.00 0.00 H new ATOM 1555 N VAL A 96 4.642 -4.960 0.475 1.00 0.00 N ATOM 1556 CA VAL A 96 4.874 -4.168 1.671 1.00 0.00 C ATOM 1557 C VAL A 96 5.448 -5.039 2.778 1.00 0.00 C ATOM 1558 O VAL A 96 6.281 -4.596 3.563 1.00 0.00 O ATOM 1559 CB VAL A 96 3.577 -3.502 2.173 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.891 -2.455 3.231 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.807 -2.886 1.014 1.00 0.00 C ATOM 0 H VAL A 96 3.664 -5.026 0.192 1.00 0.00 H new ATOM 0 HA VAL A 96 5.586 -3.385 1.408 1.00 0.00 H new ATOM 0 HB VAL A 96 2.949 -4.269 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.964 -1.995 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.395 -2.929 4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.540 -1.690 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.895 -2.421 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.425 -2.132 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.549 -3.663 0.295 1.00 0.00 H new ATOM 1571 N GLU A 97 5.006 -6.291 2.820 1.00 0.00 N ATOM 1572 CA GLU A 97 5.480 -7.234 3.823 1.00 0.00 C ATOM 1573 C GLU A 97 6.977 -7.458 3.672 1.00 0.00 C ATOM 1574 O GLU A 97 7.720 -7.454 4.653 1.00 0.00 O ATOM 1575 CB GLU A 97 4.736 -8.565 3.698 1.00 0.00 C ATOM 1576 CG GLU A 97 3.513 -8.663 4.597 1.00 0.00 C ATOM 1577 CD GLU A 97 3.693 -9.665 5.721 1.00 0.00 C ATOM 1578 OE1 GLU A 97 4.311 -10.723 5.480 1.00 0.00 O ATOM 1579 OE2 GLU A 97 3.216 -9.391 6.843 1.00 0.00 O ATOM 0 H GLU A 97 4.320 -6.675 2.170 1.00 0.00 H new ATOM 0 HA GLU A 97 5.285 -6.815 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.428 -8.704 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.420 -9.379 3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.299 -7.682 5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.648 -8.947 3.998 1.00 0.00 H new ATOM 1586 N GLU A 98 7.415 -7.648 2.433 1.00 0.00 N ATOM 1587 CA GLU A 98 8.826 -7.868 2.151 1.00 0.00 C ATOM 1588 C GLU A 98 9.655 -6.655 2.569 1.00 0.00 C ATOM 1589 O GLU A 98 10.673 -6.778 3.259 1.00 0.00 O ATOM 1590 CB GLU A 98 9.021 -8.119 0.658 1.00 0.00 C ATOM 1591 CG GLU A 98 8.041 -9.116 0.065 1.00 0.00 C ATOM 1592 CD GLU A 98 8.728 -10.314 -0.561 1.00 0.00 C ATOM 1593 OE1 GLU A 98 8.172 -11.429 -0.475 1.00 0.00 O ATOM 1594 OE2 GLU A 98 9.821 -10.137 -1.139 1.00 0.00 O ATOM 0 H GLU A 98 6.813 -7.654 1.609 1.00 0.00 H new ATOM 0 HA GLU A 98 9.159 -8.737 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.927 -7.172 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.036 -8.479 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.362 -9.459 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.433 -8.616 -0.689 1.00 0.00 H new ATOM 1601 N ILE A 99 9.204 -5.475 2.164 1.00 0.00 N ATOM 1602 CA ILE A 99 9.904 -4.246 2.507 1.00 0.00 C ATOM 1603 C ILE A 99 9.929 -4.075 4.018 1.00 0.00 C ATOM 1604 O ILE A 99 10.932 -3.651 4.592 1.00 0.00 O ATOM 1605 CB ILE A 99 9.269 -3.001 1.846 1.00 0.00 C ATOM 1606 CG1 ILE A 99 8.912 -3.281 0.380 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.226 -1.819 1.931 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.659 -2.569 -0.082 1.00 0.00 C ATOM 0 H ILE A 99 8.363 -5.344 1.602 1.00 0.00 H new ATOM 0 HA ILE A 99 10.921 -4.331 2.123 1.00 0.00 H new ATOM 0 HB ILE A 99 8.352 -2.760 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.746 -2.979 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.781 -4.355 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.770 -0.947 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.440 -1.599 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.154 -2.064 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.467 -2.812 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.813 -2.889 0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.793 -1.492 0.021 1.00 0.00 H new ATOM 1620 N LEU A 100 8.819 -4.429 4.657 1.00 0.00 N ATOM 1621 CA LEU A 100 8.710 -4.337 6.107 1.00 0.00 C ATOM 1622 C LEU A 100 9.670 -5.313 6.779 1.00 0.00 C ATOM 1623 O LEU A 100 10.241 -5.015 7.828 1.00 0.00 O ATOM 1624 CB LEU A 100 7.276 -4.625 6.555 1.00 0.00 C ATOM 1625 CG LEU A 100 6.265 -3.507 6.292 1.00 0.00 C ATOM 1626 CD1 LEU A 100 4.979 -3.775 7.053 1.00 0.00 C ATOM 1627 CD2 LEU A 100 6.844 -2.152 6.672 1.00 0.00 C ATOM 0 H LEU A 100 7.982 -4.782 4.193 1.00 0.00 H new ATOM 0 HA LEU A 100 8.975 -3.323 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.931 -5.528 6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.284 -4.839 7.624 1.00 0.00 H new ATOM 0 HG LEU A 100 6.041 -3.488 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.267 -2.973 6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.554 -4.724 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.191 -3.820 8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.107 -1.373 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.101 -2.150 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.740 -1.960 6.081 1.00 0.00 H new ATOM 1639 N ASP A 101 9.859 -6.476 6.158 1.00 0.00 N ATOM 1640 CA ASP A 101 10.770 -7.485 6.690 1.00 0.00 C ATOM 1641 C ASP A 101 12.212 -7.093 6.382 1.00 0.00 C ATOM 1642 O ASP A 101 13.156 -7.618 6.973 1.00 0.00 O ATOM 1643 CB ASP A 101 10.458 -8.860 6.097 1.00 0.00 C ATOM 1644 CG ASP A 101 10.736 -9.987 7.072 1.00 0.00 C ATOM 1645 OD1 ASP A 101 9.874 -10.252 7.935 1.00 0.00 O ATOM 1646 OD2 ASP A 101 11.817 -10.605 6.972 1.00 0.00 O ATOM 0 H ASP A 101 9.395 -6.741 5.289 1.00 0.00 H new ATOM 0 HA ASP A 101 10.637 -7.541 7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.411 -8.894 5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.053 -9.008 5.196 1.00 0.00 H new ATOM 1651 N GLY A 102 12.360 -6.156 5.452 1.00 0.00 N ATOM 1652 CA GLY A 102 13.666 -5.673 5.055 1.00 0.00 C ATOM 1653 C GLY A 102 14.130 -6.266 3.746 1.00 0.00 C ATOM 1654 O GLY A 102 15.224 -5.959 3.272 1.00 0.00 O ATOM 0 H GLY A 102 11.582 -5.717 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.637 -4.587 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.390 -5.911 5.834 1.00 0.00 H new ATOM 1658 N ASN A 103 13.277 -7.073 3.126 1.00 0.00 N ATOM 1659 CA ASN A 103 13.594 -7.646 1.831 1.00 0.00 C ATOM 1660 C ASN A 103 12.788 -6.921 0.763 1.00 0.00 C ATOM 1661 O ASN A 103 11.566 -7.035 0.718 1.00 0.00 O ATOM 1662 CB ASN A 103 13.314 -9.151 1.818 1.00 0.00 C ATOM 1663 CG ASN A 103 11.858 -9.491 2.058 1.00 0.00 C ATOM 1664 OD1 ASN A 103 11.267 -9.071 3.049 1.00 0.00 O ATOM 1665 ND2 ASN A 103 11.278 -10.272 1.155 1.00 0.00 N ATOM 0 H ASN A 103 12.367 -7.342 3.499 1.00 0.00 H new ATOM 0 HA ASN A 103 14.656 -7.518 1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.623 -9.563 0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.923 -9.634 2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.302 -10.547 1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.808 -10.598 0.347 1.00 0.00 H new ATOM 1672 N ASP A 104 13.463 -6.147 -0.073 1.00 0.00 N ATOM 1673 CA ASP A 104 12.768 -5.380 -1.104 1.00 0.00 C ATOM 1674 C ASP A 104 13.690 -4.948 -2.245 1.00 0.00 C ATOM 1675 O ASP A 104 13.288 -4.160 -3.100 1.00 0.00 O ATOM 1676 CB ASP A 104 12.144 -4.143 -0.464 1.00 0.00 C ATOM 1677 CG ASP A 104 13.145 -3.368 0.374 1.00 0.00 C ATOM 1678 OD1 ASP A 104 14.354 -3.668 0.281 1.00 0.00 O ATOM 1679 OD2 ASP A 104 12.721 -2.464 1.123 1.00 0.00 O ATOM 0 H ASP A 104 14.476 -6.032 -0.062 1.00 0.00 H new ATOM 0 HA ASP A 104 12.005 -6.027 -1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.745 -3.494 -1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.304 -4.444 0.162 1.00 0.00 H new ATOM 1684 N GLU A 105 14.917 -5.454 -2.256 1.00 0.00 N ATOM 1685 CA GLU A 105 15.883 -5.100 -3.291 1.00 0.00 C ATOM 1686 C GLU A 105 15.297 -5.290 -4.689 1.00 0.00 C ATOM 1687 O GLU A 105 15.644 -4.564 -5.619 1.00 0.00 O ATOM 1688 CB GLU A 105 17.152 -5.941 -3.141 1.00 0.00 C ATOM 1689 CG GLU A 105 17.818 -5.800 -1.782 1.00 0.00 C ATOM 1690 CD GLU A 105 19.325 -5.937 -1.854 1.00 0.00 C ATOM 1691 OE1 GLU A 105 19.823 -7.079 -1.758 1.00 0.00 O ATOM 1692 OE2 GLU A 105 20.009 -4.904 -2.008 1.00 0.00 O ATOM 0 H GLU A 105 15.268 -6.112 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 105 16.131 -4.046 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.905 -6.989 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.862 -5.653 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 105 17.565 -4.829 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.420 -6.557 -1.106 1.00 0.00 H new ATOM 1699 N LYS A 106 14.410 -6.269 -4.829 1.00 0.00 N ATOM 1700 CA LYS A 106 13.782 -6.546 -6.115 1.00 0.00 C ATOM 1701 C LYS A 106 12.849 -5.409 -6.524 1.00 0.00 C ATOM 1702 O LYS A 106 12.707 -5.105 -7.708 1.00 0.00 O ATOM 1703 CB LYS A 106 13.006 -7.863 -6.057 1.00 0.00 C ATOM 1704 CG LYS A 106 11.920 -7.885 -4.994 1.00 0.00 C ATOM 1705 CD LYS A 106 10.879 -8.955 -5.284 1.00 0.00 C ATOM 1706 CE LYS A 106 11.489 -10.348 -5.261 1.00 0.00 C ATOM 1707 NZ LYS A 106 11.182 -11.067 -3.993 1.00 0.00 N ATOM 0 H LYS A 106 14.111 -6.882 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 106 14.570 -6.631 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.553 -8.051 -7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.704 -8.678 -5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.369 -8.067 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.437 -6.909 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.079 -8.895 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.428 -8.770 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.111 -10.924 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.569 -10.273 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.615 -12.012 -4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.565 -10.531 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.152 -11.161 -3.888 1.00 0.00 H new ATOM 1721 N TYR A 107 12.212 -4.786 -5.535 1.00 0.00 N ATOM 1722 CA TYR A 107 11.292 -3.689 -5.786 1.00 0.00 C ATOM 1723 C TYR A 107 12.042 -2.376 -5.991 1.00 0.00 C ATOM 1724 O TYR A 107 11.589 -1.501 -6.729 1.00 0.00 O ATOM 1725 CB TYR A 107 10.324 -3.554 -4.614 1.00 0.00 C ATOM 1726 CG TYR A 107 9.761 -4.869 -4.131 1.00 0.00 C ATOM 1727 CD1 TYR A 107 10.000 -5.310 -2.837 1.00 0.00 C ATOM 1728 CD2 TYR A 107 8.991 -5.668 -4.967 1.00 0.00 C ATOM 1729 CE1 TYR A 107 9.489 -6.510 -2.387 1.00 0.00 C ATOM 1730 CE2 TYR A 107 8.476 -6.871 -4.525 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.728 -7.288 -3.234 1.00 0.00 C ATOM 1732 OH TYR A 107 8.216 -8.486 -2.789 1.00 0.00 O ATOM 0 H TYR A 107 12.320 -5.027 -4.550 1.00 0.00 H new ATOM 0 HA TYR A 107 10.737 -3.909 -6.698 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.837 -3.064 -3.787 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.500 -2.904 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.596 -4.704 -2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.792 -5.344 -5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.684 -6.838 -1.377 1.00 0.00 H new ATOM 0 HE2 TYR A 107 7.879 -7.482 -5.186 1.00 0.00 H new ATOM 0 HH TYR A 107 7.703 -8.910 -3.508 1.00 0.00 H new ATOM 1742 N LYS A 108 13.186 -2.245 -5.330 1.00 0.00 N ATOM 1743 CA LYS A 108 13.999 -1.035 -5.438 1.00 0.00 C ATOM 1744 C LYS A 108 14.916 -1.106 -6.660 1.00 0.00 C ATOM 1745 O LYS A 108 15.617 -0.145 -6.978 1.00 0.00 O ATOM 1746 CB LYS A 108 14.847 -0.826 -4.172 1.00 0.00 C ATOM 1747 CG LYS A 108 14.432 -1.681 -2.987 1.00 0.00 C ATOM 1748 CD LYS A 108 15.038 -1.173 -1.686 1.00 0.00 C ATOM 1749 CE LYS A 108 14.644 0.269 -1.409 1.00 0.00 C ATOM 1750 NZ LYS A 108 15.806 1.196 -1.517 1.00 0.00 N ATOM 0 H LYS A 108 13.573 -2.960 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 108 13.319 -0.191 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 108 15.890 -1.038 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.793 0.224 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.345 -1.686 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 108 14.743 -2.712 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.710 -1.805 -0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.124 -1.251 -1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.870 0.575 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.214 0.342 -0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.637 2.035 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.668 0.712 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.925 1.489 -2.508 1.00 0.00 H new ATOM 1764 N ALA A 109 14.918 -2.258 -7.328 1.00 0.00 N ATOM 1765 CA ALA A 109 15.760 -2.471 -8.500 1.00 0.00 C ATOM 1766 C ALA A 109 14.961 -2.401 -9.796 1.00 0.00 C ATOM 1767 O ALA A 109 15.298 -3.071 -10.773 1.00 0.00 O ATOM 1768 CB ALA A 109 16.454 -3.815 -8.393 1.00 0.00 C ATOM 0 H ALA A 109 14.342 -3.061 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 109 16.501 -1.672 -8.527 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.082 -3.971 -9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.072 -3.835 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 109 15.707 -4.607 -8.336 1.00 0.00 H new