USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 534 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 Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.273 F(o=-3.2,f=-0.27) USER MOD Single : A 35 CYS SG : rot -150:sc= -1.25 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc=-0.00072 K(o=-0.00072,f=-1.5) USER MOD Single : A 46 CYS SG : rot 180:sc= -3.41 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.9 K(o=-2.9,f=-8.5!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.274 X(o=0.27,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0553 K(o=-0.055,f=-2.4) USER MOD Single : A 54 GLN : amide:sc= -0.0505 K(o=-0.051,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 18 9.659 0.484 0.965 1.00 0.00 N ATOM 194 CA ARG A 18 8.403 1.124 0.596 1.00 0.00 C ATOM 195 C ARG A 18 8.417 1.540 -0.873 1.00 0.00 C ATOM 196 O ARG A 18 9.279 2.306 -1.302 1.00 0.00 O ATOM 197 CB ARG A 18 8.149 2.346 1.480 1.00 0.00 C ATOM 198 CG ARG A 18 8.073 2.020 2.963 1.00 0.00 C ATOM 199 CD ARG A 18 6.820 1.222 3.293 1.00 0.00 C ATOM 200 NE ARG A 18 5.684 2.089 3.597 1.00 0.00 N ATOM 201 CZ ARG A 18 5.454 2.603 4.800 1.00 0.00 C ATOM 202 NH1 ARG A 18 6.276 2.340 5.806 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.399 3.383 4.998 1.00 0.00 N ATOM 0 HA ARG A 18 7.599 0.403 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.944 3.073 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.216 2.819 1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.956 1.453 3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.080 2.944 3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.569 0.577 2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.018 0.572 4.145 1.00 0.00 H new ATOM 0 HE ARG A 18 5.032 2.312 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.088 1.741 5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.096 2.736 6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.764 3.588 4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.223 3.778 5.922 1.00 0.00 H new ATOM 217 N GLU A 19 7.455 1.029 -1.636 1.00 0.00 N ATOM 218 CA GLU A 19 7.359 1.347 -3.056 1.00 0.00 C ATOM 219 C GLU A 19 6.258 2.373 -3.310 1.00 0.00 C ATOM 220 O GLU A 19 5.308 2.488 -2.534 1.00 0.00 O ATOM 221 CB GLU A 19 7.086 0.079 -3.867 1.00 0.00 C ATOM 222 CG GLU A 19 8.086 -1.036 -3.609 1.00 0.00 C ATOM 223 CD GLU A 19 9.363 -0.871 -4.410 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.925 0.244 -4.410 1.00 0.00 O ATOM 225 OE2 GLU A 19 9.801 -1.858 -5.038 1.00 0.00 O ATOM 0 H GLU A 19 6.733 0.394 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 19 8.311 1.775 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.084 -0.282 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.097 0.327 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.329 -1.063 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.628 -1.994 -3.856 1.00 0.00 H new ATOM 232 N THR A 20 6.393 3.119 -4.402 1.00 0.00 N ATOM 233 CA THR A 20 5.412 4.136 -4.759 1.00 0.00 C ATOM 234 C THR A 20 4.860 3.900 -6.160 1.00 0.00 C ATOM 235 O THR A 20 5.580 3.462 -7.056 1.00 0.00 O ATOM 236 CB THR A 20 6.020 5.550 -4.690 1.00 0.00 C ATOM 237 OG1 THR A 20 6.949 5.736 -5.763 1.00 0.00 O ATOM 238 CG2 THR A 20 6.722 5.773 -3.359 1.00 0.00 C ATOM 0 H THR A 20 7.173 3.038 -5.055 1.00 0.00 H new ATOM 0 HA THR A 20 4.601 4.061 -4.035 1.00 0.00 H new ATOM 0 HB THR A 20 5.211 6.275 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.330 6.638 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.143 6.778 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.005 5.660 -2.546 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.522 5.041 -3.242 1.00 0.00 H new ATOM 246 N GLY A 21 3.576 4.195 -6.342 1.00 0.00 N ATOM 247 CA GLY A 21 2.949 4.009 -7.638 1.00 0.00 C ATOM 248 C GLY A 21 1.834 5.004 -7.891 1.00 0.00 C ATOM 249 O GLY A 21 2.049 6.215 -7.838 1.00 0.00 O ATOM 0 H GLY A 21 2.959 4.559 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.702 4.106 -8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.550 2.997 -7.703 1.00 0.00 H new ATOM 253 N VAL A 22 0.639 4.494 -8.169 1.00 0.00 N ATOM 254 CA VAL A 22 -0.514 5.346 -8.432 1.00 0.00 C ATOM 255 C VAL A 22 -1.815 4.557 -8.335 1.00 0.00 C ATOM 256 O VAL A 22 -1.932 3.464 -8.891 1.00 0.00 O ATOM 257 CB VAL A 22 -0.424 5.998 -9.824 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.909 5.035 -10.897 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.222 7.293 -9.859 1.00 0.00 C ATOM 0 H VAL A 22 0.444 3.494 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.510 6.127 -7.672 1.00 0.00 H new ATOM 0 HB VAL A 22 0.620 6.236 -10.027 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.838 5.513 -11.874 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.291 4.137 -10.887 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.946 4.764 -10.700 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.147 7.740 -10.850 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.268 7.082 -9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.824 7.986 -9.118 1.00 0.00 H new ATOM 269 N ILE A 23 -2.790 5.118 -7.628 1.00 0.00 N ATOM 270 CA ILE A 23 -4.083 4.467 -7.460 1.00 0.00 C ATOM 271 C ILE A 23 -4.784 4.282 -8.802 1.00 0.00 C ATOM 272 O ILE A 23 -5.451 5.191 -9.294 1.00 0.00 O ATOM 273 CB ILE A 23 -5.001 5.271 -6.521 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.256 5.638 -5.235 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.259 4.478 -6.202 1.00 0.00 C ATOM 276 CD1 ILE A 23 -3.662 4.445 -4.520 1.00 0.00 C ATOM 0 H ILE A 23 -2.709 6.022 -7.162 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.889 3.491 -7.016 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.294 6.192 -7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.459 6.342 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.942 6.151 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.897 5.060 -5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.797 4.263 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.985 3.542 -5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.149 4.780 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.457 3.750 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.951 3.944 -5.177 1.00 0.00 H new ATOM 288 N GLU A 24 -4.628 3.098 -9.387 1.00 0.00 N ATOM 289 CA GLU A 24 -5.247 2.795 -10.672 1.00 0.00 C ATOM 290 C GLU A 24 -6.754 2.605 -10.518 1.00 0.00 C ATOM 291 O GLU A 24 -7.540 3.106 -11.323 1.00 0.00 O ATOM 292 CB GLU A 24 -4.623 1.537 -11.279 1.00 0.00 C ATOM 293 CG GLU A 24 -4.900 1.377 -12.765 1.00 0.00 C ATOM 294 CD GLU A 24 -4.052 2.299 -13.619 1.00 0.00 C ATOM 295 OE1 GLU A 24 -2.812 2.157 -13.596 1.00 0.00 O ATOM 296 OE2 GLU A 24 -4.630 3.163 -14.311 1.00 0.00 O ATOM 0 H GLU A 24 -4.079 2.334 -8.992 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.071 3.638 -11.340 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.545 1.563 -11.120 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.002 0.662 -10.751 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.713 0.344 -13.056 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.954 1.577 -12.958 1.00 0.00 H new ATOM 303 N LYS A 25 -7.150 1.878 -9.479 1.00 0.00 N ATOM 304 CA LYS A 25 -8.561 1.621 -9.218 1.00 0.00 C ATOM 305 C LYS A 25 -8.852 1.656 -7.721 1.00 0.00 C ATOM 306 O LYS A 25 -7.988 1.339 -6.902 1.00 0.00 O ATOM 307 CB LYS A 25 -8.969 0.264 -9.796 1.00 0.00 C ATOM 308 CG LYS A 25 -10.408 0.216 -10.280 1.00 0.00 C ATOM 309 CD LYS A 25 -11.354 -0.219 -9.173 1.00 0.00 C ATOM 310 CE LYS A 25 -12.713 -0.620 -9.728 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.482 0.558 -10.217 1.00 0.00 N ATOM 0 H LYS A 25 -6.513 1.456 -8.803 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.143 2.405 -9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.307 0.019 -10.626 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.825 -0.503 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.703 1.199 -10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.488 -0.474 -11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.919 -1.058 -8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.477 0.594 -8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.577 -1.329 -10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.285 -1.131 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.401 0.243 -10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.634 1.223 -9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.948 1.031 -10.974 1.00 0.00 H new ATOM 325 N LEU A 26 -10.074 2.042 -7.370 1.00 0.00 N ATOM 326 CA LEU A 26 -10.480 2.117 -5.971 1.00 0.00 C ATOM 327 C LEU A 26 -11.942 1.715 -5.806 1.00 0.00 C ATOM 328 O LEU A 26 -12.795 2.089 -6.612 1.00 0.00 O ATOM 329 CB LEU A 26 -10.265 3.533 -5.432 1.00 0.00 C ATOM 330 CG LEU A 26 -10.089 3.656 -3.918 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.621 3.529 -3.540 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.658 4.976 -3.420 1.00 0.00 C ATOM 0 H LEU A 26 -10.801 2.308 -8.035 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.864 1.421 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.383 3.954 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.115 4.146 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.638 2.844 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.515 3.619 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.245 2.558 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.050 4.319 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.524 5.046 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.138 5.802 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.721 5.027 -3.658 1.00 0.00 H new ATOM 344 N LEU A 27 -12.225 0.952 -4.756 1.00 0.00 N ATOM 345 CA LEU A 27 -13.585 0.501 -4.483 1.00 0.00 C ATOM 346 C LEU A 27 -13.981 0.805 -3.041 1.00 0.00 C ATOM 347 O LEU A 27 -13.233 1.446 -2.302 1.00 0.00 O ATOM 348 CB LEU A 27 -13.709 -1.000 -4.751 1.00 0.00 C ATOM 349 CG LEU A 27 -13.297 -1.469 -6.147 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.784 -1.586 -6.246 1.00 0.00 C ATOM 351 CD2 LEU A 27 -13.959 -2.797 -6.481 1.00 0.00 C ATOM 0 H LEU A 27 -11.531 0.633 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.260 1.040 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.102 -1.531 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.745 -1.295 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.632 -0.727 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.510 -1.921 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.330 -0.614 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.426 -2.307 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.654 -3.115 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.656 -3.548 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.042 -2.681 -6.453 1.00 0.00 H new ATOM 363 N THR A 28 -15.163 0.341 -2.647 1.00 0.00 N ATOM 364 CA THR A 28 -15.658 0.562 -1.294 1.00 0.00 C ATOM 365 C THR A 28 -15.007 -0.399 -0.306 1.00 0.00 C ATOM 366 O THR A 28 -14.933 -0.118 0.890 1.00 0.00 O ATOM 367 CB THR A 28 -17.188 0.397 -1.222 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.826 1.380 -2.044 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.679 0.530 0.212 1.00 0.00 C ATOM 0 H THR A 28 -15.795 -0.190 -3.246 1.00 0.00 H new ATOM 0 HA THR A 28 -15.397 1.586 -1.025 1.00 0.00 H new ATOM 0 HB THR A 28 -17.442 -0.599 -1.585 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.798 1.267 -1.994 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.762 0.410 0.238 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.214 -0.239 0.829 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.414 1.514 0.598 1.00 0.00 H new ATOM 377 N SER A 29 -14.536 -1.533 -0.814 1.00 0.00 N ATOM 378 CA SER A 29 -13.893 -2.537 0.026 1.00 0.00 C ATOM 379 C SER A 29 -12.374 -2.404 -0.033 1.00 0.00 C ATOM 380 O SER A 29 -11.691 -2.508 0.985 1.00 0.00 O ATOM 381 CB SER A 29 -14.311 -3.942 -0.414 1.00 0.00 C ATOM 382 OG SER A 29 -15.602 -4.266 0.072 1.00 0.00 O ATOM 0 H SER A 29 -14.587 -1.780 -1.802 1.00 0.00 H new ATOM 0 HA SER A 29 -14.214 -2.375 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.303 -4.003 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.588 -4.671 -0.048 1.00 0.00 H new ATOM 0 HG SER A 29 -15.846 -5.168 -0.224 1.00 0.00 H new ATOM 388 N TYR A 30 -11.854 -2.173 -1.233 1.00 0.00 N ATOM 389 CA TYR A 30 -10.416 -2.028 -1.427 1.00 0.00 C ATOM 390 C TYR A 30 -10.112 -1.352 -2.761 1.00 0.00 C ATOM 391 O TYR A 30 -11.019 -0.934 -3.479 1.00 0.00 O ATOM 392 CB TYR A 30 -9.731 -3.395 -1.368 1.00 0.00 C ATOM 393 CG TYR A 30 -10.503 -4.489 -2.070 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.161 -4.243 -3.269 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.574 -5.769 -1.535 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.868 -5.239 -3.914 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.277 -6.772 -2.174 1.00 0.00 C ATOM 398 CZ TYR A 30 -11.922 -6.502 -3.363 1.00 0.00 C ATOM 399 OH TYR A 30 -12.625 -7.499 -4.001 1.00 0.00 O ATOM 0 H TYR A 30 -12.406 -2.082 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.029 -1.400 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.741 -3.316 -1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.587 -3.675 -0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.119 -3.255 -3.704 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.071 -5.984 -0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.375 -5.030 -4.844 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.321 -7.762 -1.745 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.562 -8.328 -3.482 1.00 0.00 H new ATOM 409 N GLY A 31 -8.826 -1.248 -3.084 1.00 0.00 N ATOM 410 CA GLY A 31 -8.423 -0.622 -4.330 1.00 0.00 C ATOM 411 C GLY A 31 -7.117 -1.177 -4.862 1.00 0.00 C ATOM 412 O GLY A 31 -6.379 -1.848 -4.140 1.00 0.00 O ATOM 0 H GLY A 31 -8.057 -1.586 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.206 -0.766 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.322 0.452 -4.177 1.00 0.00 H new ATOM 416 N PHE A 32 -6.830 -0.900 -6.130 1.00 0.00 N ATOM 417 CA PHE A 32 -5.605 -1.379 -6.759 1.00 0.00 C ATOM 418 C PHE A 32 -4.630 -0.229 -6.996 1.00 0.00 C ATOM 419 O PHE A 32 -5.038 0.894 -7.293 1.00 0.00 O ATOM 420 CB PHE A 32 -5.925 -2.072 -8.085 1.00 0.00 C ATOM 421 CG PHE A 32 -6.895 -3.210 -7.947 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.239 -2.968 -7.709 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.464 -4.523 -8.057 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.133 -4.014 -7.581 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.354 -5.573 -7.930 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.691 -5.318 -7.693 1.00 0.00 C ATOM 0 H PHE A 32 -7.429 -0.346 -6.742 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.137 -2.097 -6.085 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.334 -1.338 -8.780 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.999 -2.445 -8.524 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.591 -1.951 -7.623 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.420 -4.728 -8.244 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.177 -3.812 -7.393 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.005 -6.591 -8.016 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.389 -6.136 -7.596 1.00 0.00 H new ATOM 436 N ILE A 33 -3.340 -0.518 -6.861 1.00 0.00 N ATOM 437 CA ILE A 33 -2.307 0.490 -7.060 1.00 0.00 C ATOM 438 C ILE A 33 -1.332 0.070 -8.155 1.00 0.00 C ATOM 439 O ILE A 33 -0.636 -0.937 -8.026 1.00 0.00 O ATOM 440 CB ILE A 33 -1.520 0.754 -5.763 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.456 1.279 -4.671 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.391 1.741 -6.019 1.00 0.00 C ATOM 443 CD1 ILE A 33 -1.955 1.016 -3.269 1.00 0.00 C ATOM 0 H ILE A 33 -2.986 -1.442 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.815 1.406 -7.360 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.084 -0.185 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.591 2.352 -4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.436 0.817 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.156 1.917 -5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.287 1.332 -6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.805 2.682 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.668 1.415 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.847 -0.058 -3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.989 1.501 -3.131 1.00 0.00 H new ATOM 455 N GLN A 34 -1.288 0.849 -9.231 1.00 0.00 N ATOM 456 CA GLN A 34 -0.397 0.557 -10.348 1.00 0.00 C ATOM 457 C GLN A 34 1.019 1.044 -10.057 1.00 0.00 C ATOM 458 O GLN A 34 1.309 2.237 -10.161 1.00 0.00 O ATOM 459 CB GLN A 34 -0.921 1.210 -11.629 1.00 0.00 C ATOM 460 CG GLN A 34 -0.001 1.027 -12.825 1.00 0.00 C ATOM 461 CD GLN A 34 -0.388 -0.161 -13.683 1.00 0.00 C ATOM 462 OE1 GLN A 34 -0.368 -1.350 -13.092 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -0.702 -0.013 -14.864 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.858 1.686 -9.353 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.368 -0.524 -10.485 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.899 0.792 -11.866 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.065 2.276 -11.451 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.019 1.931 -13.434 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.023 0.899 -12.474 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.704 0.919 -15.278 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.960 -0.822 -15.428 1.00 0.00 H new ATOM 472 N CYS A 35 1.895 0.115 -9.693 1.00 0.00 N ATOM 473 CA CYS A 35 3.281 0.450 -9.386 1.00 0.00 C ATOM 474 C CYS A 35 3.947 1.146 -10.568 1.00 0.00 C ATOM 475 O CYS A 35 3.936 0.636 -11.688 1.00 0.00 O ATOM 476 CB CYS A 35 4.062 -0.811 -9.014 1.00 0.00 C ATOM 477 SG CYS A 35 3.403 -1.692 -7.580 1.00 0.00 S ATOM 0 H CYS A 35 1.671 -0.876 -9.603 1.00 0.00 H new ATOM 0 HA CYS A 35 3.284 1.134 -8.537 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.070 -1.486 -9.870 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.098 -0.538 -8.814 1.00 0.00 H new ATOM 0 HG CYS A 35 4.371 -2.301 -6.962 1.00 0.00 H new ATOM 483 N SER A 36 4.525 2.315 -10.311 1.00 0.00 N ATOM 484 CA SER A 36 5.192 3.084 -11.355 1.00 0.00 C ATOM 485 C SER A 36 6.661 2.688 -11.469 1.00 0.00 C ATOM 486 O SER A 36 7.423 3.298 -12.217 1.00 0.00 O ATOM 487 CB SER A 36 5.077 4.582 -11.067 1.00 0.00 C ATOM 488 OG SER A 36 3.743 5.032 -11.229 1.00 0.00 O ATOM 0 H SER A 36 4.545 2.750 -9.389 1.00 0.00 H new ATOM 0 HA SER A 36 4.700 2.864 -12.303 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.412 4.787 -10.050 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.735 5.136 -11.737 1.00 0.00 H new ATOM 0 HG SER A 36 3.696 5.992 -11.038 1.00 0.00 H new ATOM 494 N GLU A 37 7.049 1.660 -10.720 1.00 0.00 N ATOM 495 CA GLU A 37 8.427 1.182 -10.735 1.00 0.00 C ATOM 496 C GLU A 37 8.524 -0.174 -11.426 1.00 0.00 C ATOM 497 O GLU A 37 9.413 -0.402 -12.248 1.00 0.00 O ATOM 498 CB GLU A 37 8.971 1.080 -9.309 1.00 0.00 C ATOM 499 CG GLU A 37 8.677 2.303 -8.456 1.00 0.00 C ATOM 500 CD GLU A 37 9.740 2.551 -7.404 1.00 0.00 C ATOM 501 OE1 GLU A 37 9.631 1.974 -6.302 1.00 0.00 O ATOM 502 OE2 GLU A 37 10.683 3.321 -7.684 1.00 0.00 O ATOM 0 H GLU A 37 6.429 1.143 -10.096 1.00 0.00 H new ATOM 0 HA GLU A 37 9.027 1.900 -11.294 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.543 0.201 -8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.049 0.927 -9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.597 3.179 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.711 2.177 -7.968 1.00 0.00 H new ATOM 509 N ARG A 38 7.605 -1.072 -11.088 1.00 0.00 N ATOM 510 CA ARG A 38 7.587 -2.407 -11.674 1.00 0.00 C ATOM 511 C ARG A 38 6.561 -2.493 -12.799 1.00 0.00 C ATOM 512 O ARG A 38 6.535 -3.464 -13.555 1.00 0.00 O ATOM 513 CB ARG A 38 7.275 -3.453 -10.602 1.00 0.00 C ATOM 514 CG ARG A 38 5.934 -3.244 -9.919 1.00 0.00 C ATOM 515 CD ARG A 38 5.718 -4.247 -8.797 1.00 0.00 C ATOM 516 NE ARG A 38 6.735 -4.130 -7.755 1.00 0.00 N ATOM 517 CZ ARG A 38 7.917 -4.734 -7.813 1.00 0.00 C ATOM 518 NH1 ARG A 38 8.229 -5.491 -8.855 1.00 0.00 N ATOM 519 NH2 ARG A 38 8.790 -4.579 -6.825 1.00 0.00 N ATOM 0 H ARG A 38 6.862 -0.899 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 38 8.574 -2.607 -12.091 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.291 -4.443 -11.057 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.063 -3.436 -9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.882 -2.232 -9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.133 -3.338 -10.652 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.731 -4.095 -8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.733 -5.257 -9.206 1.00 0.00 H new ATOM 0 HE ARG A 38 6.527 -3.554 -6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.561 -5.612 -9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.137 -5.953 -8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.553 -3.996 -6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.698 -5.042 -6.869 1.00 0.00 H new ATOM 533 N GLN A 39 5.717 -1.472 -12.903 1.00 0.00 N ATOM 534 CA GLN A 39 4.688 -1.433 -13.935 1.00 0.00 C ATOM 535 C GLN A 39 3.701 -2.583 -13.763 1.00 0.00 C ATOM 536 O GLN A 39 3.390 -3.296 -14.716 1.00 0.00 O ATOM 537 CB GLN A 39 5.326 -1.497 -15.324 1.00 0.00 C ATOM 538 CG GLN A 39 5.864 -0.161 -15.809 1.00 0.00 C ATOM 539 CD GLN A 39 6.197 -0.167 -17.287 1.00 0.00 C ATOM 540 OE1 GLN A 39 5.305 -0.172 -18.137 1.00 0.00 O ATOM 541 NE2 GLN A 39 7.487 -0.167 -17.604 1.00 0.00 N ATOM 0 H GLN A 39 5.725 -0.661 -12.285 1.00 0.00 H new ATOM 0 HA GLN A 39 4.145 -0.493 -13.835 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.139 -2.222 -15.308 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.587 -1.862 -16.037 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.127 0.617 -15.610 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.758 0.094 -15.240 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.193 -0.163 -16.868 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.771 -0.171 -18.584 1.00 0.00 H new ATOM 550 N ALA A 40 3.211 -2.758 -12.539 1.00 0.00 N ATOM 551 CA ALA A 40 2.258 -3.820 -12.242 1.00 0.00 C ATOM 552 C ALA A 40 1.113 -3.304 -11.377 1.00 0.00 C ATOM 553 O ALA A 40 1.322 -2.495 -10.473 1.00 0.00 O ATOM 554 CB ALA A 40 2.960 -4.982 -11.555 1.00 0.00 C ATOM 0 H ALA A 40 3.459 -2.178 -11.738 1.00 0.00 H new ATOM 0 HA ALA A 40 1.837 -4.171 -13.184 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.236 -5.768 -11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.738 -5.375 -12.209 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.409 -4.637 -10.624 1.00 0.00 H new ATOM 560 N ARG A 41 -0.096 -3.778 -11.660 1.00 0.00 N ATOM 561 CA ARG A 41 -1.274 -3.363 -10.908 1.00 0.00 C ATOM 562 C ARG A 41 -1.415 -4.177 -9.625 1.00 0.00 C ATOM 563 O ARG A 41 -1.846 -5.330 -9.653 1.00 0.00 O ATOM 564 CB ARG A 41 -2.532 -3.518 -11.764 1.00 0.00 C ATOM 565 CG ARG A 41 -3.000 -4.957 -11.904 1.00 0.00 C ATOM 566 CD ARG A 41 -3.671 -5.196 -13.248 1.00 0.00 C ATOM 567 NE ARG A 41 -3.788 -6.619 -13.555 1.00 0.00 N ATOM 568 CZ ARG A 41 -4.756 -7.396 -13.081 1.00 0.00 C ATOM 569 NH1 ARG A 41 -5.686 -6.890 -12.283 1.00 0.00 N ATOM 570 NH2 ARG A 41 -4.796 -8.681 -13.407 1.00 0.00 N ATOM 0 H ARG A 41 -0.285 -4.449 -12.404 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.152 -2.314 -10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.335 -2.925 -11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.339 -3.110 -12.756 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.149 -5.630 -11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.697 -5.194 -11.101 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.662 -4.743 -13.244 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.098 -4.702 -14.032 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.088 -7.039 -14.167 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.660 -5.902 -12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.428 -7.489 -11.921 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.083 -9.074 -14.022 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.539 -9.277 -13.043 1.00 0.00 H new ATOM 584 N LEU A 42 -1.048 -3.570 -8.502 1.00 0.00 N ATOM 585 CA LEU A 42 -1.133 -4.238 -7.208 1.00 0.00 C ATOM 586 C LEU A 42 -2.542 -4.136 -6.634 1.00 0.00 C ATOM 587 O LEU A 42 -3.396 -3.434 -7.177 1.00 0.00 O ATOM 588 CB LEU A 42 -0.126 -3.629 -6.230 1.00 0.00 C ATOM 589 CG LEU A 42 1.281 -4.225 -6.257 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.143 -3.608 -5.167 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.222 -5.738 -6.101 1.00 0.00 C ATOM 0 H LEU A 42 -0.689 -2.616 -8.461 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.896 -5.292 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.050 -2.561 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.523 -3.732 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 42 1.733 -3.997 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.141 -4.045 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.212 -2.532 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.694 -3.805 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.233 -6.146 -6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.750 -5.988 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.641 -6.166 -6.918 1.00 0.00 H new ATOM 603 N PHE A 43 -2.779 -4.839 -5.531 1.00 0.00 N ATOM 604 CA PHE A 43 -4.085 -4.827 -4.882 1.00 0.00 C ATOM 605 C PHE A 43 -3.953 -4.482 -3.402 1.00 0.00 C ATOM 606 O PHE A 43 -3.515 -5.305 -2.598 1.00 0.00 O ATOM 607 CB PHE A 43 -4.770 -6.186 -5.042 1.00 0.00 C ATOM 608 CG PHE A 43 -5.669 -6.543 -3.893 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.556 -5.613 -3.376 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.627 -7.809 -3.330 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.384 -5.939 -2.318 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.452 -8.140 -2.272 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.333 -7.204 -1.766 1.00 0.00 C ATOM 0 H PHE A 43 -2.084 -5.424 -5.068 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.695 -4.062 -5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.354 -6.184 -5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.008 -6.958 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.601 -4.623 -3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.941 -8.545 -3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.071 -5.205 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.408 -9.129 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.980 -7.461 -0.941 1.00 0.00 H new ATOM 623 N PHE A 44 -4.335 -3.259 -3.049 1.00 0.00 N ATOM 624 CA PHE A 44 -4.259 -2.804 -1.666 1.00 0.00 C ATOM 625 C PHE A 44 -5.634 -2.839 -1.005 1.00 0.00 C ATOM 626 O PHE A 44 -6.642 -2.501 -1.626 1.00 0.00 O ATOM 627 CB PHE A 44 -3.687 -1.386 -1.605 1.00 0.00 C ATOM 628 CG PHE A 44 -4.738 -0.314 -1.641 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.209 0.174 -2.849 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.255 0.208 -0.465 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.177 1.160 -2.885 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.223 1.194 -0.495 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.684 1.671 -1.707 1.00 0.00 C ATOM 0 H PHE A 44 -4.700 -2.565 -3.702 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.598 -3.479 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.101 -1.278 -0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.004 -1.242 -2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.815 -0.221 -3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.897 -0.160 0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.536 1.530 -3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.619 1.591 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.440 2.442 -1.733 1.00 0.00 H new ATOM 643 N HIS A 45 -5.666 -3.252 0.258 1.00 0.00 N ATOM 644 CA HIS A 45 -6.917 -3.331 1.004 1.00 0.00 C ATOM 645 C HIS A 45 -7.160 -2.050 1.795 1.00 0.00 C ATOM 646 O HIS A 45 -6.228 -1.462 2.345 1.00 0.00 O ATOM 647 CB HIS A 45 -6.895 -4.532 1.951 1.00 0.00 C ATOM 648 CG HIS A 45 -8.225 -5.204 2.097 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.393 -4.515 2.348 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.569 -6.511 2.024 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.397 -5.369 2.425 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.925 -6.587 2.232 1.00 0.00 N ATOM 0 H HIS A 45 -4.841 -3.537 0.786 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.730 -3.455 0.289 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.168 -5.258 1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.553 -4.204 2.933 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.902 -7.340 1.837 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.429 -5.114 2.614 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.477 -7.445 2.237 1.00 0.00 H new ATOM 661 N CYS A 46 -8.417 -1.622 1.847 1.00 0.00 N ATOM 662 CA CYS A 46 -8.782 -0.409 2.570 1.00 0.00 C ATOM 663 C CYS A 46 -8.274 -0.458 4.007 1.00 0.00 C ATOM 664 O CYS A 46 -8.225 0.563 4.693 1.00 0.00 O ATOM 665 CB CYS A 46 -10.300 -0.222 2.559 1.00 0.00 C ATOM 666 SG CYS A 46 -10.952 0.435 1.005 1.00 0.00 S ATOM 0 H CYS A 46 -9.200 -2.097 1.397 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.315 0.438 2.068 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.775 -1.182 2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.578 0.450 3.371 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.243 0.555 1.093 1.00 0.00 H new ATOM 672 N SER A 47 -7.899 -1.651 4.456 1.00 0.00 N ATOM 673 CA SER A 47 -7.400 -1.835 5.814 1.00 0.00 C ATOM 674 C SER A 47 -5.935 -1.421 5.914 1.00 0.00 C ATOM 675 O SER A 47 -5.487 -0.933 6.952 1.00 0.00 O ATOM 676 CB SER A 47 -7.561 -3.293 6.246 1.00 0.00 C ATOM 677 OG SER A 47 -7.064 -3.494 7.558 1.00 0.00 O ATOM 0 H SER A 47 -7.931 -2.505 3.899 1.00 0.00 H new ATOM 0 HA SER A 47 -7.985 -1.200 6.480 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.614 -3.573 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.031 -3.943 5.549 1.00 0.00 H new ATOM 0 HG SER A 47 -7.180 -4.434 7.811 1.00 0.00 H new ATOM 683 N GLN A 48 -5.194 -1.620 4.829 1.00 0.00 N ATOM 684 CA GLN A 48 -3.780 -1.268 4.794 1.00 0.00 C ATOM 685 C GLN A 48 -3.586 0.231 4.996 1.00 0.00 C ATOM 686 O GLN A 48 -2.794 0.657 5.836 1.00 0.00 O ATOM 687 CB GLN A 48 -3.157 -1.701 3.466 1.00 0.00 C ATOM 688 CG GLN A 48 -3.409 -3.160 3.122 1.00 0.00 C ATOM 689 CD GLN A 48 -2.884 -4.108 4.182 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.878 -3.831 4.836 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.564 -5.235 4.358 1.00 0.00 N ATOM 0 H GLN A 48 -5.550 -2.023 3.962 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.281 -1.793 5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.553 -1.074 2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.082 -1.526 3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.480 -3.320 2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.937 -3.391 2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.392 -5.424 3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.258 -5.911 5.057 1.00 0.00 H new ATOM 700 N TYR A 49 -4.315 1.026 4.220 1.00 0.00 N ATOM 701 CA TYR A 49 -4.221 2.478 4.312 1.00 0.00 C ATOM 702 C TYR A 49 -4.377 2.944 5.756 1.00 0.00 C ATOM 703 O TYR A 49 -5.287 2.515 6.464 1.00 0.00 O ATOM 704 CB TYR A 49 -5.288 3.135 3.434 1.00 0.00 C ATOM 705 CG TYR A 49 -5.140 4.636 3.323 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.897 5.217 3.108 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.244 5.472 3.431 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.757 6.588 3.006 1.00 0.00 C ATOM 709 CE2 TYR A 49 -6.114 6.844 3.329 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.869 7.397 3.117 1.00 0.00 C ATOM 711 OH TYR A 49 -4.734 8.762 3.015 1.00 0.00 O ATOM 0 H TYR A 49 -4.977 0.689 3.521 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.234 2.776 3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.244 2.699 2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.273 2.904 3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.025 4.586 3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.221 5.042 3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.783 7.024 2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.983 7.480 3.415 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.612 9.186 3.114 1.00 0.00 H new ATOM 721 N ASN A 50 -3.481 3.827 6.186 1.00 0.00 N ATOM 722 CA ASN A 50 -3.518 4.352 7.546 1.00 0.00 C ATOM 723 C ASN A 50 -4.446 5.560 7.637 1.00 0.00 C ATOM 724 O ASN A 50 -5.171 5.726 8.617 1.00 0.00 O ATOM 725 CB ASN A 50 -2.110 4.741 8.003 1.00 0.00 C ATOM 726 CG ASN A 50 -1.310 3.548 8.488 1.00 0.00 C ATOM 727 OD1 ASN A 50 -1.394 3.163 9.654 1.00 0.00 O ATOM 728 ND2 ASN A 50 -0.528 2.957 7.592 1.00 0.00 N ATOM 0 H ASN A 50 -2.721 4.194 5.613 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.902 3.570 8.201 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.582 5.218 7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.181 5.477 8.804 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.035 2.149 7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.490 3.311 6.636 1.00 0.00 H new ATOM 735 N GLY A 51 -4.417 6.401 6.608 1.00 0.00 N ATOM 736 CA GLY A 51 -5.260 7.582 6.591 1.00 0.00 C ATOM 737 C GLY A 51 -6.733 7.241 6.484 1.00 0.00 C ATOM 738 O GLY A 51 -7.198 6.271 7.079 1.00 0.00 O ATOM 0 H GLY A 51 -3.825 6.286 5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.089 8.160 7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.975 8.216 5.751 1.00 0.00 H new ATOM 742 N ASN A 52 -7.471 8.044 5.722 1.00 0.00 N ATOM 743 CA ASN A 52 -8.901 7.823 5.540 1.00 0.00 C ATOM 744 C ASN A 52 -9.241 7.648 4.063 1.00 0.00 C ATOM 745 O ASN A 52 -9.135 8.589 3.275 1.00 0.00 O ATOM 746 CB ASN A 52 -9.696 8.993 6.123 1.00 0.00 C ATOM 747 CG ASN A 52 -11.149 8.637 6.372 1.00 0.00 C ATOM 748 OD1 ASN A 52 -11.643 7.620 5.885 1.00 0.00 O ATOM 749 ND2 ASN A 52 -11.842 9.476 7.133 1.00 0.00 N ATOM 0 H ASN A 52 -7.102 8.853 5.221 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.173 6.909 6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.237 9.310 7.059 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.644 9.840 5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.824 9.289 7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.392 10.307 7.516 1.00 0.00 H new ATOM 756 N LEU A 53 -9.650 6.440 3.696 1.00 0.00 N ATOM 757 CA LEU A 53 -10.007 6.140 2.313 1.00 0.00 C ATOM 758 C LEU A 53 -10.661 7.346 1.646 1.00 0.00 C ATOM 759 O LEU A 53 -10.352 7.677 0.502 1.00 0.00 O ATOM 760 CB LEU A 53 -10.952 4.939 2.258 1.00 0.00 C ATOM 761 CG LEU A 53 -10.291 3.574 2.057 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.572 3.522 0.718 1.00 0.00 C ATOM 763 CD2 LEU A 53 -9.326 3.276 3.195 1.00 0.00 C ATOM 0 H LEU A 53 -9.743 5.651 4.336 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.092 5.900 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.525 4.910 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.664 5.099 1.448 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.069 2.811 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.108 2.544 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.288 3.690 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.804 4.295 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.865 2.301 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.552 4.043 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.869 3.270 4.140 1.00 0.00 H new ATOM 775 N GLN A 54 -11.563 8.000 2.371 1.00 0.00 N ATOM 776 CA GLN A 54 -12.259 9.170 1.849 1.00 0.00 C ATOM 777 C GLN A 54 -11.283 10.125 1.169 1.00 0.00 C ATOM 778 O GLN A 54 -11.517 10.572 0.046 1.00 0.00 O ATOM 779 CB GLN A 54 -12.999 9.894 2.975 1.00 0.00 C ATOM 780 CG GLN A 54 -14.104 9.065 3.608 1.00 0.00 C ATOM 781 CD GLN A 54 -15.072 9.905 4.419 1.00 0.00 C ATOM 782 OE1 GLN A 54 -15.148 11.122 4.250 1.00 0.00 O ATOM 783 NE2 GLN A 54 -15.819 9.257 5.305 1.00 0.00 N ATOM 0 H GLN A 54 -11.829 7.740 3.321 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.983 8.831 1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.282 10.178 3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.427 10.816 2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.652 8.539 2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.660 8.306 4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.723 8.247 5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.489 9.769 5.879 1.00 0.00 H new ATOM 792 N ASP A 55 -10.189 10.434 1.857 1.00 0.00 N ATOM 793 CA ASP A 55 -9.177 11.336 1.319 1.00 0.00 C ATOM 794 C ASP A 55 -8.508 10.730 0.090 1.00 0.00 C ATOM 795 O ASP A 55 -8.191 11.436 -0.869 1.00 0.00 O ATOM 796 CB ASP A 55 -8.126 11.650 2.385 1.00 0.00 C ATOM 797 CG ASP A 55 -8.720 12.335 3.600 1.00 0.00 C ATOM 798 OD1 ASP A 55 -9.416 13.357 3.425 1.00 0.00 O ATOM 799 OD2 ASP A 55 -8.491 11.847 4.727 1.00 0.00 O ATOM 0 H ASP A 55 -9.980 10.073 2.788 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.670 12.262 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.639 10.725 2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.354 12.287 1.953 1.00 0.00 H new ATOM 804 N LEU A 56 -8.294 9.419 0.124 1.00 0.00 N ATOM 805 CA LEU A 56 -7.661 8.718 -0.987 1.00 0.00 C ATOM 806 C LEU A 56 -8.587 8.667 -2.198 1.00 0.00 C ATOM 807 O LEU A 56 -9.804 8.800 -2.068 1.00 0.00 O ATOM 808 CB LEU A 56 -7.275 7.299 -0.566 1.00 0.00 C ATOM 809 CG LEU A 56 -6.044 6.706 -1.254 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.799 7.505 -0.901 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.870 5.244 -0.869 1.00 0.00 C ATOM 0 H LEU A 56 -8.550 8.820 0.909 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.761 9.266 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.102 7.295 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.124 6.642 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.192 6.761 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.933 7.069 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.924 8.537 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.646 7.483 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.990 4.839 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.744 5.165 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.751 4.680 -1.174 1.00 0.00 H new ATOM 823 N LYS A 57 -8.003 8.473 -3.375 1.00 0.00 N ATOM 824 CA LYS A 57 -8.775 8.401 -4.610 1.00 0.00 C ATOM 825 C LYS A 57 -7.921 7.868 -5.756 1.00 0.00 C ATOM 826 O LYS A 57 -6.706 7.717 -5.620 1.00 0.00 O ATOM 827 CB LYS A 57 -9.328 9.781 -4.972 1.00 0.00 C ATOM 828 CG LYS A 57 -8.326 10.907 -4.780 1.00 0.00 C ATOM 829 CD LYS A 57 -8.817 12.203 -5.403 1.00 0.00 C ATOM 830 CE LYS A 57 -8.066 13.406 -4.853 1.00 0.00 C ATOM 831 NZ LYS A 57 -8.896 14.642 -4.889 1.00 0.00 N ATOM 0 H LYS A 57 -6.997 8.363 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.606 7.714 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.656 9.771 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.209 9.982 -4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.148 11.059 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.372 10.626 -5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.692 12.158 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.883 12.319 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.759 13.204 -3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.156 13.562 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.349 15.439 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.168 14.849 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.752 14.502 -4.315 1.00 0.00 H new ATOM 845 N VAL A 58 -8.562 7.586 -6.885 1.00 0.00 N ATOM 846 CA VAL A 58 -7.860 7.072 -8.055 1.00 0.00 C ATOM 847 C VAL A 58 -7.098 8.183 -8.770 1.00 0.00 C ATOM 848 O VAL A 58 -7.672 9.209 -9.134 1.00 0.00 O ATOM 849 CB VAL A 58 -8.834 6.411 -9.049 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.136 6.120 -10.368 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.420 5.139 -8.454 1.00 0.00 C ATOM 0 H VAL A 58 -9.567 7.705 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.154 6.323 -7.697 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.652 7.104 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.840 5.653 -11.057 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.770 7.052 -10.799 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.297 5.446 -10.195 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.106 4.685 -9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.616 4.439 -8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.959 5.381 -7.538 1.00 0.00 H new ATOM 861 N GLY A 59 -5.801 7.969 -8.969 1.00 0.00 N ATOM 862 CA GLY A 59 -4.981 8.961 -9.641 1.00 0.00 C ATOM 863 C GLY A 59 -4.138 9.768 -8.673 1.00 0.00 C ATOM 864 O GLY A 59 -3.664 10.853 -9.008 1.00 0.00 O ATOM 0 H GLY A 59 -5.304 7.128 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.329 8.463 -10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.623 9.635 -10.208 1.00 0.00 H new ATOM 868 N ASP A 60 -3.951 9.237 -7.470 1.00 0.00 N ATOM 869 CA ASP A 60 -3.160 9.916 -6.449 1.00 0.00 C ATOM 870 C ASP A 60 -1.933 9.091 -6.076 1.00 0.00 C ATOM 871 O ASP A 60 -1.995 7.863 -6.008 1.00 0.00 O ATOM 872 CB ASP A 60 -4.011 10.179 -5.206 1.00 0.00 C ATOM 873 CG ASP A 60 -4.921 11.380 -5.371 1.00 0.00 C ATOM 874 OD1 ASP A 60 -5.642 11.443 -6.389 1.00 0.00 O ATOM 875 OD2 ASP A 60 -4.913 12.258 -4.482 1.00 0.00 O ATOM 0 H ASP A 60 -4.336 8.339 -7.177 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.824 10.869 -6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.614 9.297 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.357 10.337 -4.348 1.00 0.00 H new ATOM 880 N ASP A 61 -0.819 9.773 -5.836 1.00 0.00 N ATOM 881 CA ASP A 61 0.424 9.103 -5.469 1.00 0.00 C ATOM 882 C ASP A 61 0.388 8.651 -4.013 1.00 0.00 C ATOM 883 O ASP A 61 -0.047 9.392 -3.132 1.00 0.00 O ATOM 884 CB ASP A 61 1.616 10.034 -5.698 1.00 0.00 C ATOM 885 CG ASP A 61 2.090 10.025 -7.138 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.457 10.701 -7.975 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.094 9.340 -7.428 1.00 0.00 O ATOM 0 H ASP A 61 -0.751 10.789 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 61 0.534 8.222 -6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.339 11.050 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.437 9.735 -5.046 1.00 0.00 H new ATOM 892 N VAL A 62 0.848 7.428 -3.767 1.00 0.00 N ATOM 893 CA VAL A 62 0.868 6.876 -2.418 1.00 0.00 C ATOM 894 C VAL A 62 2.051 5.933 -2.228 1.00 0.00 C ATOM 895 O VAL A 62 2.629 5.443 -3.198 1.00 0.00 O ATOM 896 CB VAL A 62 -0.434 6.117 -2.102 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.528 7.086 -1.681 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.874 5.292 -3.302 1.00 0.00 C ATOM 0 H VAL A 62 1.212 6.801 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 62 0.964 7.719 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.245 5.437 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.440 6.532 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.210 7.629 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.718 7.793 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.796 4.762 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.046 5.951 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.096 4.571 -3.553 1.00 0.00 H new ATOM 908 N GLU A 63 2.406 5.684 -0.971 1.00 0.00 N ATOM 909 CA GLU A 63 3.522 4.799 -0.655 1.00 0.00 C ATOM 910 C GLU A 63 3.041 3.569 0.110 1.00 0.00 C ATOM 911 O GLU A 63 2.291 3.682 1.081 1.00 0.00 O ATOM 912 CB GLU A 63 4.575 5.545 0.167 1.00 0.00 C ATOM 913 CG GLU A 63 5.937 4.871 0.165 1.00 0.00 C ATOM 914 CD GLU A 63 6.713 5.119 1.445 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.175 4.823 2.532 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.858 5.610 1.358 1.00 0.00 O ATOM 0 H GLU A 63 1.938 6.082 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 63 3.969 4.470 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.679 6.557 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.225 5.635 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.807 3.798 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.517 5.235 -0.683 1.00 0.00 H new ATOM 923 N PHE A 64 3.477 2.395 -0.334 1.00 0.00 N ATOM 924 CA PHE A 64 3.090 1.144 0.306 1.00 0.00 C ATOM 925 C PHE A 64 4.265 0.171 0.353 1.00 0.00 C ATOM 926 O PHE A 64 5.343 0.459 -0.166 1.00 0.00 O ATOM 927 CB PHE A 64 1.915 0.507 -0.438 1.00 0.00 C ATOM 928 CG PHE A 64 2.105 0.456 -1.927 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.746 1.532 -2.722 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.643 -0.669 -2.532 1.00 0.00 C ATOM 931 CE1 PHE A 64 1.920 1.489 -4.092 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.819 -0.718 -3.902 1.00 0.00 C ATOM 933 CZ PHE A 64 2.456 0.362 -4.683 1.00 0.00 C ATOM 0 H PHE A 64 4.099 2.284 -1.135 1.00 0.00 H new ATOM 0 HA PHE A 64 2.785 1.367 1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.765 -0.506 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.007 1.067 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.325 2.415 -2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.928 -1.517 -1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.637 2.336 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.240 -1.600 -4.362 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.591 0.325 -5.754 1.00 0.00 H new ATOM 943 N GLU A 65 4.047 -0.982 0.978 1.00 0.00 N ATOM 944 CA GLU A 65 5.088 -1.996 1.093 1.00 0.00 C ATOM 945 C GLU A 65 4.633 -3.315 0.473 1.00 0.00 C ATOM 946 O GLU A 65 3.630 -3.896 0.888 1.00 0.00 O ATOM 947 CB GLU A 65 5.460 -2.212 2.561 1.00 0.00 C ATOM 948 CG GLU A 65 6.092 -3.566 2.836 1.00 0.00 C ATOM 949 CD GLU A 65 6.994 -3.553 4.056 1.00 0.00 C ATOM 950 OE1 GLU A 65 7.393 -2.450 4.485 1.00 0.00 O ATOM 951 OE2 GLU A 65 7.300 -4.644 4.580 1.00 0.00 O ATOM 0 H GLU A 65 3.160 -1.237 1.412 1.00 0.00 H new ATOM 0 HA GLU A 65 5.965 -1.643 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.151 -1.428 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.564 -2.108 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.306 -4.307 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.669 -3.877 1.965 1.00 0.00 H new ATOM 958 N VAL A 66 5.378 -3.781 -0.524 1.00 0.00 N ATOM 959 CA VAL A 66 5.053 -5.030 -1.202 1.00 0.00 C ATOM 960 C VAL A 66 5.347 -6.232 -0.310 1.00 0.00 C ATOM 961 O VAL A 66 6.500 -6.499 0.030 1.00 0.00 O ATOM 962 CB VAL A 66 5.841 -5.177 -2.517 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.506 -6.496 -3.196 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.555 -4.003 -3.442 1.00 0.00 C ATOM 0 H VAL A 66 6.211 -3.312 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 66 3.987 -4.999 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 66 6.906 -5.177 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.072 -6.582 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.766 -7.322 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.439 -6.530 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.120 -4.122 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.489 -3.970 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.851 -3.075 -2.954 1.00 0.00 H new ATOM 974 N SER A 67 4.296 -6.954 0.066 1.00 0.00 N ATOM 975 CA SER A 67 4.441 -8.126 0.921 1.00 0.00 C ATOM 976 C SER A 67 3.787 -9.348 0.283 1.00 0.00 C ATOM 977 O SER A 67 3.162 -9.251 -0.773 1.00 0.00 O ATOM 978 CB SER A 67 3.821 -7.861 2.295 1.00 0.00 C ATOM 979 OG SER A 67 4.768 -7.288 3.180 1.00 0.00 O ATOM 0 H SER A 67 3.335 -6.748 -0.208 1.00 0.00 H new ATOM 0 HA SER A 67 5.505 -8.327 1.043 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.967 -7.192 2.189 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.445 -8.794 2.714 1.00 0.00 H new ATOM 0 HG SER A 67 4.347 -7.127 4.050 1.00 0.00 H new ATOM 985 N SER A 68 3.937 -10.498 0.933 1.00 0.00 N ATOM 986 CA SER A 68 3.365 -11.741 0.428 1.00 0.00 C ATOM 987 C SER A 68 2.172 -12.174 1.276 1.00 0.00 C ATOM 988 O SER A 68 2.255 -12.225 2.503 1.00 0.00 O ATOM 989 CB SER A 68 4.424 -12.845 0.415 1.00 0.00 C ATOM 990 OG SER A 68 5.376 -12.651 1.446 1.00 0.00 O ATOM 0 H SER A 68 4.449 -10.595 1.810 1.00 0.00 H new ATOM 0 HA SER A 68 3.020 -11.566 -0.591 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.943 -13.816 0.538 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.928 -12.859 -0.552 1.00 0.00 H new ATOM 0 HG SER A 68 6.041 -13.371 1.417 1.00 0.00 H new ATOM 996 N ASP A 69 1.065 -12.484 0.612 1.00 0.00 N ATOM 997 CA ASP A 69 -0.146 -12.914 1.302 1.00 0.00 C ATOM 998 C ASP A 69 0.081 -14.239 2.023 1.00 0.00 C ATOM 999 O ASP A 69 1.094 -14.906 1.812 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.303 -13.049 0.311 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.655 -13.063 0.998 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.962 -12.093 1.723 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.405 -14.042 0.810 1.00 0.00 O ATOM 0 H ASP A 69 0.980 -12.446 -0.404 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.401 -12.157 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.268 -12.223 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.181 -13.968 -0.263 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.868 -14.614 2.874 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.771 -15.858 3.627 1.00 0.00 C ATOM 1010 C ARG A 70 -1.678 -16.929 3.028 1.00 0.00 C ATOM 1011 O ARG A 70 -1.756 -18.047 3.539 1.00 0.00 O ATOM 1012 CB ARG A 70 -1.141 -15.623 5.093 1.00 0.00 C ATOM 1013 CG ARG A 70 -0.520 -14.367 5.683 1.00 0.00 C ATOM 1014 CD ARG A 70 0.982 -14.519 5.863 1.00 0.00 C ATOM 1015 NE ARG A 70 1.710 -14.264 4.622 1.00 0.00 N ATOM 1016 CZ ARG A 70 2.932 -14.725 4.379 1.00 0.00 C ATOM 1017 NH1 ARG A 70 3.559 -15.461 5.286 1.00 0.00 N ATOM 1018 NH2 ARG A 70 3.529 -14.451 3.227 1.00 0.00 N ATOM 0 H ARG A 70 -1.713 -14.074 3.059 1.00 0.00 H new ATOM 0 HA ARG A 70 0.260 -16.207 3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.226 -15.557 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.826 -16.485 5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.725 -13.518 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.983 -14.149 6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.326 -13.830 6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.205 -15.527 6.214 1.00 0.00 H new ATOM 0 HE ARG A 70 1.255 -13.701 3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.103 -15.675 6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.497 -15.814 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.050 -13.886 2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.467 -14.806 3.042 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.361 -16.579 1.943 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.264 -17.509 1.276 1.00 0.00 C ATOM 1034 C ARG A 71 -2.827 -17.752 -0.166 1.00 0.00 C ATOM 1035 O ARG A 71 -2.781 -18.892 -0.629 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.696 -16.971 1.302 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.124 -16.445 2.663 1.00 0.00 C ATOM 1038 CD ARG A 71 -5.440 -17.580 3.624 1.00 0.00 C ATOM 1039 NE ARG A 71 -6.563 -18.391 3.163 1.00 0.00 N ATOM 1040 CZ ARG A 71 -7.025 -19.449 3.821 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -6.464 -19.820 4.963 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -8.051 -20.137 3.337 1.00 0.00 N ATOM 0 H ARG A 71 -2.306 -15.658 1.507 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.229 -18.457 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.788 -16.171 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.379 -17.764 0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.331 -15.824 3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.001 -15.808 2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.560 -18.212 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.669 -17.169 4.607 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.018 -18.131 2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.676 -19.293 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.821 -20.632 5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.486 -19.854 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.405 -20.949 3.843 1.00 0.00 H new ATOM 1056 N THR A 72 -2.506 -16.671 -0.871 1.00 0.00 N ATOM 1057 CA THR A 72 -2.074 -16.766 -2.260 1.00 0.00 C ATOM 1058 C THR A 72 -0.591 -16.444 -2.397 1.00 0.00 C ATOM 1059 O THR A 72 -0.002 -16.627 -3.462 1.00 0.00 O ATOM 1060 CB THR A 72 -2.881 -15.815 -3.165 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.676 -14.458 -2.755 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.364 -16.147 -3.114 1.00 0.00 C ATOM 0 H THR A 72 -2.537 -15.720 -0.503 1.00 0.00 H new ATOM 0 HA THR A 72 -2.250 -17.794 -2.577 1.00 0.00 H new ATOM 0 HB THR A 72 -2.532 -15.941 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.191 -13.859 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.913 -15.462 -3.761 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.520 -17.171 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.724 -16.046 -2.090 1.00 0.00 H new ATOM 1070 N GLY A 73 0.009 -15.962 -1.313 1.00 0.00 N ATOM 1071 CA GLY A 73 1.420 -15.623 -1.334 1.00 0.00 C ATOM 1072 C GLY A 73 1.763 -14.642 -2.437 1.00 0.00 C ATOM 1073 O GLY A 73 2.930 -14.486 -2.798 1.00 0.00 O ATOM 0 H GLY A 73 -0.457 -15.800 -0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.703 -15.196 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.007 -16.532 -1.465 1.00 0.00 H new ATOM 1077 N LYS A 74 0.746 -13.978 -2.975 1.00 0.00 N ATOM 1078 CA LYS A 74 0.944 -13.007 -4.044 1.00 0.00 C ATOM 1079 C LYS A 74 1.399 -11.664 -3.481 1.00 0.00 C ATOM 1080 O LYS A 74 1.105 -11.311 -2.338 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.348 -12.825 -4.843 1.00 0.00 C ATOM 1082 CG LYS A 74 -0.904 -14.123 -5.404 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.350 -14.414 -6.789 1.00 0.00 C ATOM 1084 CE LYS A 74 -0.637 -15.845 -7.214 1.00 0.00 C ATOM 1085 NZ LYS A 74 0.391 -16.358 -8.162 1.00 0.00 N ATOM 0 H LYS A 74 -0.226 -14.095 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 74 1.722 -13.387 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.100 -12.364 -4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.163 -12.133 -5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.658 -14.946 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.991 -14.064 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.789 -13.724 -7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.726 -14.240 -6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.671 -16.486 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.620 -15.895 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.160 -17.336 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.406 -15.762 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.326 -16.335 -7.707 1.00 0.00 H new ATOM 1099 N PRO A 75 2.132 -10.896 -4.300 1.00 0.00 N ATOM 1100 CA PRO A 75 2.641 -9.579 -3.905 1.00 0.00 C ATOM 1101 C PRO A 75 1.529 -8.544 -3.771 1.00 0.00 C ATOM 1102 O PRO A 75 1.024 -8.029 -4.769 1.00 0.00 O ATOM 1103 CB PRO A 75 3.584 -9.205 -5.052 1.00 0.00 C ATOM 1104 CG PRO A 75 3.075 -9.969 -6.225 1.00 0.00 C ATOM 1105 CD PRO A 75 2.521 -11.253 -5.675 1.00 0.00 C ATOM 0 HA PRO A 75 3.124 -9.605 -2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.570 -8.132 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.615 -9.474 -4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.305 -9.406 -6.753 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.874 -10.164 -6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.668 -11.604 -6.256 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.265 -12.050 -5.688 1.00 0.00 H new ATOM 1113 N ILE A 76 1.153 -8.244 -2.532 1.00 0.00 N ATOM 1114 CA ILE A 76 0.102 -7.270 -2.268 1.00 0.00 C ATOM 1115 C ILE A 76 0.656 -6.045 -1.548 1.00 0.00 C ATOM 1116 O ILE A 76 1.798 -6.047 -1.088 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.032 -7.880 -1.423 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.482 -8.405 -0.095 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.726 -8.993 -2.193 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.511 -8.441 1.013 1.00 0.00 C ATOM 0 H ILE A 76 1.561 -8.662 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.299 -6.969 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.765 -7.102 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.087 -9.410 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.353 -7.778 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.525 -9.414 -1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.147 -8.590 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.004 -9.773 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.051 -8.824 1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.888 -7.434 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.336 -9.091 0.722 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.161 -5.002 -1.451 1.00 0.00 N ATOM 1133 CA ALA A 77 0.245 -3.772 -0.783 1.00 0.00 C ATOM 1134 C ALA A 77 -0.203 -3.766 0.675 1.00 0.00 C ATOM 1135 O ALA A 77 -1.277 -4.267 1.007 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.318 -2.563 -1.515 1.00 0.00 C ATOM 0 H ALA A 77 -1.109 -4.984 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 77 1.334 -3.720 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.007 -1.651 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.055 -2.551 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.407 -2.619 -1.526 1.00 0.00 H new ATOM 1142 N VAL A 78 0.628 -3.195 1.542 1.00 0.00 N ATOM 1143 CA VAL A 78 0.317 -3.123 2.964 1.00 0.00 C ATOM 1144 C VAL A 78 0.840 -1.828 3.576 1.00 0.00 C ATOM 1145 O VAL A 78 1.727 -1.180 3.021 1.00 0.00 O ATOM 1146 CB VAL A 78 0.915 -4.318 3.731 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.185 -5.603 3.370 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.404 -4.443 3.445 1.00 0.00 C ATOM 0 H VAL A 78 1.521 -2.776 1.284 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.769 -3.151 3.052 1.00 0.00 H new ATOM 0 HB VAL A 78 0.787 -4.143 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.621 -6.436 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.869 -5.508 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.280 -5.787 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.810 -5.292 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.558 -4.595 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.912 -3.531 3.758 1.00 0.00 H new ATOM 1158 N LYS A 79 0.284 -1.457 4.725 1.00 0.00 N ATOM 1159 CA LYS A 79 0.695 -0.240 5.416 1.00 0.00 C ATOM 1160 C LYS A 79 0.790 0.931 4.443 1.00 0.00 C ATOM 1161 O LYS A 79 1.797 1.639 4.405 1.00 0.00 O ATOM 1162 CB LYS A 79 2.042 -0.452 6.109 1.00 0.00 C ATOM 1163 CG LYS A 79 2.057 -1.635 7.062 1.00 0.00 C ATOM 1164 CD LYS A 79 3.475 -2.045 7.420 1.00 0.00 C ATOM 1165 CE LYS A 79 4.013 -3.093 6.458 1.00 0.00 C ATOM 1166 NZ LYS A 79 3.723 -4.477 6.927 1.00 0.00 N ATOM 0 H LYS A 79 -0.452 -1.982 5.197 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.059 -0.006 6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.812 -0.597 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.303 0.451 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.511 -1.379 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.538 -2.478 6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.123 -1.169 7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.495 -2.438 8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.571 -2.943 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.090 -2.965 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.106 -5.162 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.166 -4.629 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.694 -4.607 7.009 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.264 1.132 3.661 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.300 2.219 2.689 1.00 0.00 C ATOM 1182 C LEU A 80 -0.208 3.574 3.384 1.00 0.00 C ATOM 1183 O LEU A 80 -0.554 3.706 4.558 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.583 2.145 1.859 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.418 2.333 0.350 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.365 0.985 -0.353 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.549 3.183 -0.209 1.00 0.00 C ATOM 0 H LEU A 80 -1.106 0.556 3.681 1.00 0.00 H new ATOM 0 HA LEU A 80 0.560 2.111 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.051 1.176 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.274 2.904 2.226 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.477 2.852 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.247 1.138 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.520 0.410 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.289 0.439 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.415 3.306 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.503 2.692 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.541 4.161 0.272 1.00 0.00 H new ATOM 1199 N VAL A 81 0.258 4.579 2.650 1.00 0.00 N ATOM 1200 CA VAL A 81 0.393 5.925 3.195 1.00 0.00 C ATOM 1201 C VAL A 81 0.580 6.951 2.083 1.00 0.00 C ATOM 1202 O VAL A 81 1.549 6.894 1.326 1.00 0.00 O ATOM 1203 CB VAL A 81 1.581 6.019 4.171 1.00 0.00 C ATOM 1204 CG1 VAL A 81 2.865 5.565 3.495 1.00 0.00 C ATOM 1205 CG2 VAL A 81 1.721 7.438 4.703 1.00 0.00 C ATOM 0 H VAL A 81 0.548 4.487 1.677 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.529 6.142 3.735 1.00 0.00 H new ATOM 0 HB VAL A 81 1.390 5.356 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.693 5.638 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.758 4.531 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.066 6.200 2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.565 7.487 5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.890 8.123 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.808 7.722 5.227 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.354 7.892 1.990 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.293 8.934 0.973 1.00 0.00 C ATOM 1217 C LYS A 82 1.016 9.712 1.069 1.00 0.00 C ATOM 1218 O LYS A 82 1.423 10.128 2.154 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.479 9.890 1.120 1.00 0.00 C ATOM 1220 CG LYS A 82 -1.877 10.569 -0.179 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.346 10.961 -0.176 1.00 0.00 C ATOM 1222 CE LYS A 82 -3.617 12.112 -1.132 1.00 0.00 C ATOM 1223 NZ LYS A 82 -3.387 13.435 -0.488 1.00 0.00 N ATOM 0 H LYS A 82 -1.163 7.954 2.608 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.340 8.455 -0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.334 9.337 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.231 10.653 1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.263 11.457 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.680 9.899 -1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.954 10.101 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.646 11.246 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.973 12.017 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.646 12.055 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.583 14.193 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.019 13.537 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.398 13.500 -0.172 1.00 0.00 H new ATOM 1237 N ILE A 83 1.668 9.906 -0.072 1.00 0.00 N ATOM 1238 CA ILE A 83 2.929 10.637 -0.116 1.00 0.00 C ATOM 1239 C ILE A 83 2.724 12.107 0.234 1.00 0.00 C ATOM 1240 O ILE A 83 3.258 12.599 1.229 1.00 0.00 O ATOM 1241 CB ILE A 83 3.589 10.538 -1.503 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.462 9.116 -2.053 1.00 0.00 C ATOM 1243 CG2 ILE A 83 5.051 10.952 -1.425 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.451 8.802 -3.153 1.00 0.00 C ATOM 0 H ILE A 83 1.345 9.568 -0.978 1.00 0.00 H new ATOM 0 HA ILE A 83 3.586 10.178 0.623 1.00 0.00 H new ATOM 0 HB ILE A 83 3.074 11.218 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.601 8.406 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.451 8.971 -2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.504 10.877 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.119 11.981 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.579 10.295 -0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.302 7.778 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.298 9.488 -3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.466 8.914 -2.772 1.00 0.00 H new