USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 601 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 16 THR OG1 : rot 3:sc= -1.72! USER MOD Set 1.2: A 19 ASN :FLIP amide:sc= 0.00993! C(o=-3.7!,f=-1.7!) USER MOD Single : A 15 THR OG1 : rot 35:sc= 0.00202 USER MOD Single : A 24 ASN : amide:sc= 0.883 K(o=0.88,f=-2.6!) USER MOD Single : A 26 ASN : amide:sc= -4.03! C(o=-4!,f=-4.3!) USER MOD Single : A 28 ASN : amide:sc= -0.0293 K(o=-0.029,f=-1.8!) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= 0.482! (180deg=-0.886!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -1.68 (180deg=-2.25) USER MOD Single : A 39 SER OG : rot 78:sc= 0.326 USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0.856 (180deg=0.622) USER MOD Single : A 45 ASN : amide:sc= -0.199! K(o=-0.2!,f=-1.4) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 66:sc= -2.18 USER MOD Single : A 57 ASN : amide:sc= -2.34! C(o=-2.3!,f=-8.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -4.42! USER MOD Single : A 67 SER OG : rot 180:sc= -0.189! USER MOD Single : A 73 LYS NZ :NH3+ 146:sc= -0.0946 (180deg=-1.12) USER MOD Single : A 78 THR OG1 : rot -163:sc= -3.53! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.25 K(o=-1.3,f=-3.1!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.559 9.474 -1.796 1.00 0.00 N ATOM 191 CA THR A 15 70.404 10.188 -0.497 1.00 0.00 C ATOM 192 C THR A 15 71.683 10.957 -0.165 1.00 0.00 C ATOM 193 O THR A 15 71.684 11.868 0.639 1.00 0.00 O ATOM 194 CB THR A 15 70.149 9.085 0.532 1.00 0.00 C ATOM 195 OG1 THR A 15 68.805 8.638 0.421 1.00 0.00 O ATOM 196 CG2 THR A 15 70.391 9.627 1.942 1.00 0.00 C ATOM 0 HA THR A 15 69.594 10.917 -0.516 1.00 0.00 H new ATOM 0 HB THR A 15 70.828 8.253 0.345 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.528 8.663 -0.519 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.208 8.838 2.671 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.422 9.969 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.715 10.461 2.132 1.00 0.00 H new ATOM 204 N THR A 16 72.769 10.596 -0.784 1.00 0.00 N ATOM 205 CA THR A 16 74.055 11.303 -0.514 1.00 0.00 C ATOM 206 C THR A 16 74.830 11.500 -1.819 1.00 0.00 C ATOM 207 O THR A 16 74.538 10.872 -2.816 1.00 0.00 O ATOM 208 CB THR A 16 74.832 10.384 0.430 1.00 0.00 C ATOM 209 OG1 THR A 16 75.042 9.130 -0.202 1.00 0.00 O ATOM 210 CG2 THR A 16 74.038 10.181 1.722 1.00 0.00 C ATOM 0 H THR A 16 72.825 9.841 -1.467 1.00 0.00 H new ATOM 0 HA THR A 16 73.896 12.290 -0.080 1.00 0.00 H new ATOM 0 HB THR A 16 75.794 10.838 0.668 1.00 0.00 H new ATOM 0 HG1 THR A 16 74.688 9.161 -1.115 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.595 9.526 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 16 73.879 11.144 2.206 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.074 9.728 1.489 1.00 0.00 H new ATOM 218 N PRO A 17 75.798 12.373 -1.762 1.00 0.00 N ATOM 219 CA PRO A 17 76.629 12.663 -2.953 1.00 0.00 C ATOM 220 C PRO A 17 77.618 11.522 -3.215 1.00 0.00 C ATOM 221 O PRO A 17 78.109 11.358 -4.315 1.00 0.00 O ATOM 222 CB PRO A 17 77.362 13.946 -2.571 1.00 0.00 C ATOM 223 CG PRO A 17 77.394 13.950 -1.076 1.00 0.00 C ATOM 224 CD PRO A 17 76.200 13.164 -0.596 1.00 0.00 C ATOM 0 HA PRO A 17 76.045 12.766 -3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.370 13.962 -2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 17 76.844 14.825 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.319 13.504 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.360 14.970 -0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.457 12.525 0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.397 13.822 -0.265 1.00 0.00 H new ATOM 232 N PHE A 18 77.919 10.732 -2.218 1.00 0.00 N ATOM 233 CA PHE A 18 78.877 9.609 -2.427 1.00 0.00 C ATOM 234 C PHE A 18 78.138 8.269 -2.448 1.00 0.00 C ATOM 235 O PHE A 18 77.589 7.836 -1.456 1.00 0.00 O ATOM 236 CB PHE A 18 79.829 9.673 -1.233 1.00 0.00 C ATOM 237 CG PHE A 18 80.554 10.994 -1.240 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.670 11.177 -2.064 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.108 12.039 -0.423 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.341 12.406 -2.074 1.00 0.00 C ATOM 241 CE2 PHE A 18 80.777 13.269 -0.432 1.00 0.00 C ATOM 242 CZ PHE A 18 81.893 13.452 -1.258 1.00 0.00 C ATOM 0 H PHE A 18 77.545 10.816 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 18 79.403 9.693 -3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.272 9.556 -0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.545 8.853 -1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.014 10.369 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.248 11.897 0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.202 12.547 -2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 18 80.433 14.076 0.198 1.00 0.00 H new ATOM 0 HZ PHE A 18 82.409 14.401 -1.266 1.00 0.00 H new ATOM 252 N ASN A 19 78.119 7.610 -3.572 1.00 0.00 N ATOM 253 CA ASN A 19 77.420 6.297 -3.657 1.00 0.00 C ATOM 254 C ASN A 19 78.184 5.373 -4.605 1.00 0.00 C ATOM 255 O ASN A 19 78.681 5.798 -5.629 1.00 0.00 O ATOM 256 CB ASN A 19 76.031 6.600 -4.221 1.00 0.00 C ATOM 257 CG ASN A 19 75.554 7.984 -3.765 1.00 0.00 C ATOM 258 OD1 ASN A 19 74.803 8.084 -2.704 1.00 0.00 O flip ATOM 259 ND2 ASN A 19 75.870 8.981 -4.382 1.00 0.00 N flip ATOM 0 H ASN A 19 78.558 7.924 -4.437 1.00 0.00 H new ATOM 0 HA ASN A 19 77.357 5.803 -2.687 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.058 6.559 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.324 5.839 -3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 19 76.458 8.902 -5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 19 75.548 9.897 -4.070 1.00 0.00 H new ATOM 266 N LEU A 20 78.286 4.114 -4.280 1.00 0.00 N ATOM 267 CA LEU A 20 79.027 3.181 -5.179 1.00 0.00 C ATOM 268 C LEU A 20 78.449 1.770 -5.093 1.00 0.00 C ATOM 269 O LEU A 20 77.377 1.542 -4.557 1.00 0.00 O ATOM 270 CB LEU A 20 80.486 3.161 -4.695 1.00 0.00 C ATOM 271 CG LEU A 20 80.885 4.508 -4.090 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.329 4.603 -2.672 1.00 0.00 C ATOM 273 CD2 LEU A 20 82.411 4.608 -4.043 1.00 0.00 C ATOM 0 H LEU A 20 77.893 3.692 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 20 78.948 3.513 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.615 2.373 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 20 81.146 2.924 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 20 80.484 5.319 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.610 5.561 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.242 4.522 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 20 80.737 3.794 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 20 82.700 5.567 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.810 3.800 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 20 82.812 4.529 -5.053 1.00 0.00 H new ATOM 285 N PHE A 21 79.173 0.827 -5.623 1.00 0.00 N ATOM 286 CA PHE A 21 78.715 -0.589 -5.606 1.00 0.00 C ATOM 287 C PHE A 21 79.708 -1.456 -4.827 1.00 0.00 C ATOM 288 O PHE A 21 80.863 -1.109 -4.677 1.00 0.00 O ATOM 289 CB PHE A 21 78.692 -0.993 -7.081 1.00 0.00 C ATOM 290 CG PHE A 21 78.377 -2.463 -7.209 1.00 0.00 C ATOM 291 CD1 PHE A 21 79.338 -3.418 -6.864 1.00 0.00 C ATOM 292 CD2 PHE A 21 77.123 -2.868 -7.681 1.00 0.00 C ATOM 293 CE1 PHE A 21 79.046 -4.781 -6.989 1.00 0.00 C ATOM 294 CE2 PHE A 21 76.831 -4.230 -7.807 1.00 0.00 C ATOM 295 CZ PHE A 21 77.792 -5.188 -7.461 1.00 0.00 C ATOM 0 H PHE A 21 80.075 0.979 -6.074 1.00 0.00 H new ATOM 0 HA PHE A 21 77.745 -0.714 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.946 -0.405 -7.616 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.657 -0.778 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 21 80.306 -3.104 -6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 21 76.382 -2.129 -7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 21 79.788 -5.519 -6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 21 75.864 -4.543 -8.171 1.00 0.00 H new ATOM 0 HZ PHE A 21 77.566 -6.240 -7.558 1.00 0.00 H new ATOM 305 N ILE A 22 79.270 -2.580 -4.335 1.00 0.00 N ATOM 306 CA ILE A 22 80.191 -3.468 -3.571 1.00 0.00 C ATOM 307 C ILE A 22 79.825 -4.935 -3.824 1.00 0.00 C ATOM 308 O ILE A 22 78.687 -5.263 -4.092 1.00 0.00 O ATOM 309 CB ILE A 22 79.979 -3.082 -2.100 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.915 -1.925 -1.745 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.281 -4.274 -1.187 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.454 -1.278 -0.436 1.00 0.00 C ATOM 0 H ILE A 22 78.314 -2.923 -4.428 1.00 0.00 H new ATOM 0 HA ILE A 22 81.234 -3.353 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 22 78.941 -2.782 -1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.937 -2.289 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.918 -1.187 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.126 -3.985 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.616 -5.101 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.316 -4.586 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.121 -0.454 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.439 -0.900 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.474 -2.019 0.363 1.00 0.00 H new ATOM 324 N GLY A 23 80.783 -5.815 -3.744 1.00 0.00 N ATOM 325 CA GLY A 23 80.492 -7.255 -3.980 1.00 0.00 C ATOM 326 C GLY A 23 81.124 -8.089 -2.866 1.00 0.00 C ATOM 327 O GLY A 23 81.662 -7.564 -1.912 1.00 0.00 O ATOM 0 H GLY A 23 81.755 -5.599 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.415 -7.420 -4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.886 -7.563 -4.948 1.00 0.00 H new ATOM 331 N ASN A 24 81.062 -9.388 -2.976 1.00 0.00 N ATOM 332 CA ASN A 24 81.657 -10.261 -1.921 1.00 0.00 C ATOM 333 C ASN A 24 80.833 -10.165 -0.637 1.00 0.00 C ATOM 334 O ASN A 24 81.345 -9.857 0.422 1.00 0.00 O ATOM 335 CB ASN A 24 83.071 -9.718 -1.697 1.00 0.00 C ATOM 336 CG ASN A 24 83.992 -10.859 -1.262 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.729 -12.011 -1.547 1.00 0.00 O ATOM 338 ND2 ASN A 24 85.071 -10.587 -0.578 1.00 0.00 N ATOM 0 H ASN A 24 80.624 -9.885 -3.752 1.00 0.00 H new ATOM 0 HA ASN A 24 81.672 -11.311 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.447 -9.262 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 24 83.056 -8.938 -0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.692 -11.341 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 24 85.293 -9.621 -0.338 1.00 0.00 H new ATOM 345 N LEU A 25 79.559 -10.427 -0.724 1.00 0.00 N ATOM 346 CA LEU A 25 78.695 -10.352 0.487 1.00 0.00 C ATOM 347 C LEU A 25 78.577 -11.727 1.140 1.00 0.00 C ATOM 348 O LEU A 25 78.170 -12.691 0.522 1.00 0.00 O ATOM 349 CB LEU A 25 77.335 -9.889 -0.027 1.00 0.00 C ATOM 350 CG LEU A 25 77.342 -8.370 -0.202 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.364 -7.697 1.172 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.586 -7.953 -0.990 1.00 0.00 C ATOM 0 H LEU A 25 79.078 -10.691 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 25 79.100 -9.677 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.110 -10.373 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.552 -10.181 0.673 1.00 0.00 H new ATOM 0 HG LEU A 25 76.447 -8.064 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.369 -6.614 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 25 76.480 -7.993 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.259 -8.004 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.591 -6.870 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.480 -8.260 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.574 -8.431 -1.969 1.00 0.00 H new ATOM 364 N ASN A 26 78.926 -11.817 2.388 1.00 0.00 N ATOM 365 CA ASN A 26 78.836 -13.120 3.102 1.00 0.00 C ATOM 366 C ASN A 26 77.530 -13.832 2.737 1.00 0.00 C ATOM 367 O ASN A 26 76.477 -13.494 3.242 1.00 0.00 O ATOM 368 CB ASN A 26 78.853 -12.750 4.583 1.00 0.00 C ATOM 369 CG ASN A 26 78.984 -14.016 5.429 1.00 0.00 C ATOM 370 OD1 ASN A 26 79.453 -15.032 4.955 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.586 -14.000 6.672 1.00 0.00 N ATOM 0 H ASN A 26 79.273 -11.040 2.950 1.00 0.00 H new ATOM 0 HA ASN A 26 79.648 -13.799 2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.684 -12.075 4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.938 -12.219 4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.669 -14.840 7.245 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.192 -13.148 7.071 1.00 0.00 H new ATOM 378 N PRO A 27 77.646 -14.794 1.864 1.00 0.00 N ATOM 379 CA PRO A 27 76.459 -15.562 1.417 1.00 0.00 C ATOM 380 C PRO A 27 76.020 -16.551 2.502 1.00 0.00 C ATOM 381 O PRO A 27 74.954 -17.129 2.432 1.00 0.00 O ATOM 382 CB PRO A 27 76.958 -16.302 0.181 1.00 0.00 C ATOM 383 CG PRO A 27 78.439 -16.414 0.362 1.00 0.00 C ATOM 384 CD PRO A 27 78.878 -15.249 1.214 1.00 0.00 C ATOM 0 HA PRO A 27 75.594 -14.932 1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 27 76.496 -17.286 0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.713 -15.757 -0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.697 -17.359 0.841 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.946 -16.397 -0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.626 -15.551 1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 27 79.324 -14.459 0.609 1.00 0.00 H new ATOM 392 N ASN A 28 76.833 -16.748 3.505 1.00 0.00 N ATOM 393 CA ASN A 28 76.458 -17.698 4.592 1.00 0.00 C ATOM 394 C ASN A 28 75.530 -17.006 5.592 1.00 0.00 C ATOM 395 O ASN A 28 74.977 -17.629 6.477 1.00 0.00 O ATOM 396 CB ASN A 28 77.780 -18.081 5.259 1.00 0.00 C ATOM 397 CG ASN A 28 78.561 -19.022 4.340 1.00 0.00 C ATOM 398 OD1 ASN A 28 78.023 -19.542 3.384 1.00 0.00 O ATOM 399 ND2 ASN A 28 79.818 -19.264 4.594 1.00 0.00 N ATOM 0 H ASN A 28 77.739 -16.293 3.619 1.00 0.00 H new ATOM 0 HA ASN A 28 75.927 -18.573 4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 28 78.368 -17.187 5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.590 -18.566 6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 28 80.349 -19.890 3.989 1.00 0.00 H new ATOM 0 HD22 ASN A 28 80.269 -18.827 5.397 1.00 0.00 H new ATOM 406 N LYS A 29 75.358 -15.721 5.457 1.00 0.00 N ATOM 407 CA LYS A 29 74.468 -14.981 6.394 1.00 0.00 C ATOM 408 C LYS A 29 73.401 -14.218 5.608 1.00 0.00 C ATOM 409 O LYS A 29 73.054 -14.581 4.503 1.00 0.00 O ATOM 410 CB LYS A 29 75.397 -14.021 7.137 1.00 0.00 C ATOM 411 CG LYS A 29 75.481 -14.443 8.603 1.00 0.00 C ATOM 412 CD LYS A 29 76.421 -13.502 9.359 1.00 0.00 C ATOM 413 CE LYS A 29 76.866 -14.171 10.662 1.00 0.00 C ATOM 414 NZ LYS A 29 77.415 -13.066 11.494 1.00 0.00 N ATOM 0 H LYS A 29 75.797 -15.149 4.735 1.00 0.00 H new ATOM 0 HA LYS A 29 73.937 -15.640 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.389 -14.032 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.023 -13.000 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 29 74.489 -14.422 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.842 -15.469 8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 29 77.289 -13.265 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.916 -12.560 9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.029 -14.662 11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.619 -14.936 10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 78.312 -13.368 11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.582 -12.231 10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.735 -12.825 12.243 1.00 0.00 H new ATOM 428 N SER A 30 72.877 -13.164 6.167 1.00 0.00 N ATOM 429 CA SER A 30 71.833 -12.385 5.444 1.00 0.00 C ATOM 430 C SER A 30 72.454 -11.149 4.806 1.00 0.00 C ATOM 431 O SER A 30 73.384 -10.570 5.330 1.00 0.00 O ATOM 432 CB SER A 30 70.827 -11.967 6.508 1.00 0.00 C ATOM 433 OG SER A 30 70.631 -13.039 7.422 1.00 0.00 O ATOM 0 H SER A 30 73.125 -12.809 7.090 1.00 0.00 H new ATOM 0 HA SER A 30 71.368 -12.969 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.187 -11.085 7.037 1.00 0.00 H new ATOM 0 HB3 SER A 30 69.880 -11.695 6.042 1.00 0.00 H new ATOM 0 HG SER A 30 69.985 -12.770 8.108 1.00 0.00 H new ATOM 439 N VAL A 31 71.945 -10.729 3.686 1.00 0.00 N ATOM 440 CA VAL A 31 72.521 -9.522 3.039 1.00 0.00 C ATOM 441 C VAL A 31 72.298 -8.305 3.937 1.00 0.00 C ATOM 442 O VAL A 31 73.129 -7.425 4.020 1.00 0.00 O ATOM 443 CB VAL A 31 71.789 -9.362 1.702 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.629 -8.487 0.768 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.584 -10.732 1.049 1.00 0.00 C ATOM 0 H VAL A 31 71.164 -11.163 3.194 1.00 0.00 H new ATOM 0 HA VAL A 31 73.595 -9.616 2.879 1.00 0.00 H new ATOM 0 HB VAL A 31 70.819 -8.898 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.112 -8.371 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.777 -7.507 1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.597 -8.959 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 31 71.063 -10.608 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.553 -11.200 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.990 -11.364 1.709 1.00 0.00 H new ATOM 455 N ALA A 32 71.187 -8.257 4.625 1.00 0.00 N ATOM 456 CA ALA A 32 70.919 -7.102 5.530 1.00 0.00 C ATOM 457 C ALA A 32 71.997 -7.032 6.613 1.00 0.00 C ATOM 458 O ALA A 32 72.616 -6.006 6.828 1.00 0.00 O ATOM 459 CB ALA A 32 69.551 -7.390 6.148 1.00 0.00 C ATOM 0 H ALA A 32 70.455 -8.967 4.599 1.00 0.00 H new ATOM 0 HA ALA A 32 70.930 -6.148 5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.282 -6.582 6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.803 -7.463 5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.591 -8.330 6.698 1.00 0.00 H new ATOM 465 N GLU A 33 72.235 -8.122 7.287 1.00 0.00 N ATOM 466 CA GLU A 33 73.284 -8.126 8.344 1.00 0.00 C ATOM 467 C GLU A 33 74.611 -7.692 7.729 1.00 0.00 C ATOM 468 O GLU A 33 75.434 -7.069 8.371 1.00 0.00 O ATOM 469 CB GLU A 33 73.362 -9.574 8.830 1.00 0.00 C ATOM 470 CG GLU A 33 71.995 -10.013 9.360 1.00 0.00 C ATOM 471 CD GLU A 33 71.535 -9.045 10.453 1.00 0.00 C ATOM 472 OE1 GLU A 33 72.112 -9.078 11.527 1.00 0.00 O ATOM 473 OE2 GLU A 33 70.614 -8.287 10.197 1.00 0.00 O ATOM 0 H GLU A 33 71.750 -9.009 7.152 1.00 0.00 H new ATOM 0 HA GLU A 33 73.061 -7.445 9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.673 -10.226 8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.113 -9.665 9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.268 -10.033 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.056 -11.026 9.759 1.00 0.00 H new ATOM 480 N LEU A 34 74.818 -8.003 6.479 1.00 0.00 N ATOM 481 CA LEU A 34 76.080 -7.594 5.816 1.00 0.00 C ATOM 482 C LEU A 34 76.117 -6.072 5.710 1.00 0.00 C ATOM 483 O LEU A 34 77.159 -5.458 5.800 1.00 0.00 O ATOM 484 CB LEU A 34 76.025 -8.245 4.435 1.00 0.00 C ATOM 485 CG LEU A 34 76.754 -9.590 4.473 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.933 -10.601 5.273 1.00 0.00 C ATOM 487 CD2 LEU A 34 76.939 -10.102 3.045 1.00 0.00 C ATOM 0 H LEU A 34 74.166 -8.523 5.891 1.00 0.00 H new ATOM 0 HA LEU A 34 76.973 -7.900 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.988 -8.390 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.486 -7.591 3.695 1.00 0.00 H new ATOM 0 HG LEU A 34 77.727 -9.462 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.456 -11.557 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 34 75.798 -10.236 6.291 1.00 0.00 H new ATOM 0 HD13 LEU A 34 74.959 -10.732 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 34 77.458 -11.060 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 34 75.964 -10.228 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 34 77.527 -9.383 2.474 1.00 0.00 H new ATOM 499 N LYS A 35 74.977 -5.459 5.539 1.00 0.00 N ATOM 500 CA LYS A 35 74.946 -3.973 5.453 1.00 0.00 C ATOM 501 C LYS A 35 75.392 -3.389 6.791 1.00 0.00 C ATOM 502 O LYS A 35 76.325 -2.615 6.868 1.00 0.00 O ATOM 503 CB LYS A 35 73.486 -3.604 5.172 1.00 0.00 C ATOM 504 CG LYS A 35 72.943 -4.439 4.009 1.00 0.00 C ATOM 505 CD LYS A 35 73.989 -4.525 2.894 1.00 0.00 C ATOM 506 CE LYS A 35 73.430 -5.348 1.732 1.00 0.00 C ATOM 507 NZ LYS A 35 74.620 -5.988 1.107 1.00 0.00 N ATOM 0 H LYS A 35 74.071 -5.921 5.456 1.00 0.00 H new ATOM 0 HA LYS A 35 75.607 -3.586 4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.883 -3.774 6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.411 -2.543 4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.687 -5.440 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 35 72.026 -3.991 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 35 74.253 -3.525 2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 35 74.902 -4.984 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 35 72.719 -6.095 2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 35 72.901 -4.716 1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 74.373 -6.326 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.392 -5.294 1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 74.928 -6.792 1.690 1.00 0.00 H new ATOM 521 N VAL A 36 74.735 -3.775 7.850 1.00 0.00 N ATOM 522 CA VAL A 36 75.122 -3.268 9.196 1.00 0.00 C ATOM 523 C VAL A 36 76.581 -3.605 9.467 1.00 0.00 C ATOM 524 O VAL A 36 77.282 -2.869 10.124 1.00 0.00 O ATOM 525 CB VAL A 36 74.224 -4.018 10.167 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.347 -3.402 11.562 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.771 -3.930 9.696 1.00 0.00 C ATOM 0 H VAL A 36 73.946 -4.421 7.841 1.00 0.00 H new ATOM 0 HA VAL A 36 75.011 -2.187 9.285 1.00 0.00 H new ATOM 0 HB VAL A 36 74.530 -5.064 10.205 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.702 -3.941 12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.381 -3.470 11.900 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.045 -2.355 11.525 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.129 -4.468 10.393 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.465 -2.885 9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.682 -4.374 8.705 1.00 0.00 H new ATOM 537 N ALA A 37 77.051 -4.710 8.962 1.00 0.00 N ATOM 538 CA ALA A 37 78.471 -5.072 9.192 1.00 0.00 C ATOM 539 C ALA A 37 79.358 -4.025 8.532 1.00 0.00 C ATOM 540 O ALA A 37 80.398 -3.667 9.040 1.00 0.00 O ATOM 541 CB ALA A 37 78.653 -6.439 8.533 1.00 0.00 C ATOM 0 H ALA A 37 76.515 -5.374 8.403 1.00 0.00 H new ATOM 0 HA ALA A 37 78.736 -5.111 10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.683 -6.772 8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 37 77.978 -7.159 8.996 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.428 -6.363 7.469 1.00 0.00 H new ATOM 547 N ILE A 38 78.937 -3.515 7.411 1.00 0.00 N ATOM 548 CA ILE A 38 79.740 -2.471 6.723 1.00 0.00 C ATOM 549 C ILE A 38 79.489 -1.119 7.390 1.00 0.00 C ATOM 550 O ILE A 38 80.333 -0.244 7.378 1.00 0.00 O ATOM 551 CB ILE A 38 79.240 -2.464 5.278 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.553 -3.812 4.620 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.938 -1.346 4.501 1.00 0.00 C ATOM 554 CD1 ILE A 38 80.992 -4.221 4.942 1.00 0.00 C ATOM 0 H ILE A 38 78.070 -3.777 6.941 1.00 0.00 H new ATOM 0 HA ILE A 38 80.812 -2.665 6.770 1.00 0.00 H new ATOM 0 HB ILE A 38 78.163 -2.297 5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 38 78.860 -4.573 4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.418 -3.741 3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.581 -1.341 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.716 -0.386 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 38 81.015 -1.513 4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 38 81.211 -5.180 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 38 81.679 -3.465 4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 38 81.112 -4.310 6.022 1.00 0.00 H new ATOM 566 N SER A 39 78.341 -0.946 7.992 1.00 0.00 N ATOM 567 CA SER A 39 78.059 0.348 8.674 1.00 0.00 C ATOM 568 C SER A 39 78.754 0.353 10.033 1.00 0.00 C ATOM 569 O SER A 39 79.174 1.378 10.535 1.00 0.00 O ATOM 570 CB SER A 39 76.541 0.392 8.841 1.00 0.00 C ATOM 571 OG SER A 39 75.925 0.329 7.562 1.00 0.00 O ATOM 0 H SER A 39 77.594 -1.639 8.040 1.00 0.00 H new ATOM 0 HA SER A 39 78.419 1.211 8.115 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.208 -0.441 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.247 1.307 9.354 1.00 0.00 H new ATOM 0 HG SER A 39 75.943 -0.595 7.235 1.00 0.00 H new ATOM 577 N GLU A 40 78.889 -0.801 10.619 1.00 0.00 N ATOM 578 CA GLU A 40 79.561 -0.902 11.937 1.00 0.00 C ATOM 579 C GLU A 40 81.072 -0.887 11.742 1.00 0.00 C ATOM 580 O GLU A 40 81.804 -0.270 12.490 1.00 0.00 O ATOM 581 CB GLU A 40 79.098 -2.238 12.495 1.00 0.00 C ATOM 582 CG GLU A 40 78.756 -2.088 13.977 1.00 0.00 C ATOM 583 CD GLU A 40 79.978 -2.447 14.824 1.00 0.00 C ATOM 584 OE1 GLU A 40 80.519 -3.522 14.622 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.353 -1.641 15.660 1.00 0.00 O ATOM 0 H GLU A 40 78.558 -1.686 10.236 1.00 0.00 H new ATOM 0 HA GLU A 40 79.320 -0.076 12.607 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.225 -2.590 11.945 1.00 0.00 H new ATOM 0 HB3 GLU A 40 79.879 -2.987 12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.443 -1.065 14.187 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.919 -2.737 14.235 1.00 0.00 H new ATOM 592 N LEU A 41 81.542 -1.553 10.726 1.00 0.00 N ATOM 593 CA LEU A 41 83.006 -1.568 10.466 1.00 0.00 C ATOM 594 C LEU A 41 83.457 -0.168 10.069 1.00 0.00 C ATOM 595 O LEU A 41 84.550 0.259 10.382 1.00 0.00 O ATOM 596 CB LEU A 41 83.209 -2.546 9.306 1.00 0.00 C ATOM 597 CG LEU A 41 84.536 -3.285 9.485 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.268 -4.710 9.973 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.274 -3.337 8.146 1.00 0.00 C ATOM 0 H LEU A 41 80.977 -2.087 10.066 1.00 0.00 H new ATOM 0 HA LEU A 41 83.582 -1.869 11.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.386 -3.259 9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.206 -2.008 8.358 1.00 0.00 H new ATOM 0 HG LEU A 41 85.147 -2.759 10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.215 -5.235 10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 41 83.742 -4.675 10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.656 -5.237 9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.220 -3.863 8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.661 -3.862 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.467 -2.322 7.797 1.00 0.00 H new ATOM 611 N PHE A 42 82.615 0.556 9.391 1.00 0.00 N ATOM 612 CA PHE A 42 82.984 1.930 8.986 1.00 0.00 C ATOM 613 C PHE A 42 82.746 2.878 10.156 1.00 0.00 C ATOM 614 O PHE A 42 83.333 3.933 10.243 1.00 0.00 O ATOM 615 CB PHE A 42 82.040 2.255 7.836 1.00 0.00 C ATOM 616 CG PHE A 42 82.512 1.587 6.563 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.386 0.493 6.619 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.066 2.061 5.324 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.814 -0.123 5.437 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.495 1.445 4.143 1.00 0.00 C ATOM 621 CZ PHE A 42 83.368 0.354 4.199 1.00 0.00 C ATOM 0 H PHE A 42 81.686 0.251 9.101 1.00 0.00 H new ATOM 0 HA PHE A 42 84.030 2.026 8.694 1.00 0.00 H new ATOM 0 HB2 PHE A 42 81.032 1.919 8.078 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.990 3.334 7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 42 83.730 0.125 7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.390 2.902 5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 42 84.488 -0.966 5.480 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.152 1.813 3.187 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.698 -0.121 3.287 1.00 0.00 H new ATOM 631 N ALA A 43 81.887 2.505 11.064 1.00 0.00 N ATOM 632 CA ALA A 43 81.615 3.388 12.232 1.00 0.00 C ATOM 633 C ALA A 43 82.735 3.252 13.263 1.00 0.00 C ATOM 634 O ALA A 43 83.021 4.165 14.011 1.00 0.00 O ATOM 635 CB ALA A 43 80.294 2.888 12.808 1.00 0.00 C ATOM 0 H ALA A 43 81.363 1.630 11.048 1.00 0.00 H new ATOM 0 HA ALA A 43 81.563 4.440 11.953 1.00 0.00 H new ATOM 0 HB1 ALA A 43 80.024 3.490 13.675 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.513 2.970 12.052 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.400 1.846 13.109 1.00 0.00 H new ATOM 641 N LYS A 44 83.377 2.119 13.297 1.00 0.00 N ATOM 642 CA LYS A 44 84.487 1.922 14.269 1.00 0.00 C ATOM 643 C LYS A 44 85.793 2.409 13.648 1.00 0.00 C ATOM 644 O LYS A 44 86.756 2.693 14.333 1.00 0.00 O ATOM 645 CB LYS A 44 84.535 0.416 14.526 1.00 0.00 C ATOM 646 CG LYS A 44 83.748 0.089 15.796 1.00 0.00 C ATOM 647 CD LYS A 44 82.924 -1.181 15.574 1.00 0.00 C ATOM 648 CE LYS A 44 83.853 -2.329 15.173 1.00 0.00 C ATOM 649 NZ LYS A 44 83.021 -3.211 14.307 1.00 0.00 N ATOM 0 H LYS A 44 83.181 1.320 12.694 1.00 0.00 H new ATOM 0 HA LYS A 44 84.340 2.477 15.196 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.115 -0.122 13.676 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.569 0.087 14.632 1.00 0.00 H new ATOM 0 HG2 LYS A 44 84.431 -0.050 16.634 1.00 0.00 H new ATOM 0 HG3 LYS A 44 83.092 0.920 16.054 1.00 0.00 H new ATOM 0 HD2 LYS A 44 82.382 -1.439 16.484 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.180 -1.013 14.796 1.00 0.00 H new ATOM 0 HE2 LYS A 44 84.728 -1.961 14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 44 84.218 -2.866 16.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 83.555 -4.073 14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 82.149 -3.470 14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 82.778 -2.707 13.430 1.00 0.00 H new ATOM 663 N ASN A 45 85.823 2.519 12.351 1.00 0.00 N ATOM 664 CA ASN A 45 87.049 2.999 11.668 1.00 0.00 C ATOM 665 C ASN A 45 87.109 4.522 11.744 1.00 0.00 C ATOM 666 O ASN A 45 88.024 5.086 12.306 1.00 0.00 O ATOM 667 CB ASN A 45 86.878 2.548 10.220 1.00 0.00 C ATOM 668 CG ASN A 45 87.523 1.177 10.033 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.547 1.054 9.391 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.961 0.134 10.574 1.00 0.00 N ATOM 0 H ASN A 45 85.044 2.295 11.732 1.00 0.00 H new ATOM 0 HA ASN A 45 87.965 2.613 12.115 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.819 2.501 9.965 1.00 0.00 H new ATOM 0 HB3 ASN A 45 87.336 3.272 9.546 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.381 -0.789 10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.101 0.240 11.113 1.00 0.00 H new ATOM 677 N ASP A 46 86.107 5.167 11.190 1.00 0.00 N ATOM 678 CA ASP A 46 86.008 6.661 11.192 1.00 0.00 C ATOM 679 C ASP A 46 85.264 7.127 9.939 1.00 0.00 C ATOM 680 O ASP A 46 85.549 8.174 9.391 1.00 0.00 O ATOM 681 CB ASP A 46 87.435 7.223 11.176 1.00 0.00 C ATOM 682 CG ASP A 46 87.846 7.616 12.597 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.963 7.853 13.404 1.00 0.00 O ATOM 684 OD2 ASP A 46 89.038 7.674 12.853 1.00 0.00 O ATOM 0 H ASP A 46 85.329 4.702 10.722 1.00 0.00 H new ATOM 0 HA ASP A 46 85.467 7.007 12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 46 88.126 6.479 10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.488 8.090 10.518 1.00 0.00 H new ATOM 689 N LEU A 47 84.315 6.361 9.479 1.00 0.00 N ATOM 690 CA LEU A 47 83.562 6.763 8.264 1.00 0.00 C ATOM 691 C LEU A 47 82.158 7.224 8.652 1.00 0.00 C ATOM 692 O LEU A 47 81.906 7.610 9.777 1.00 0.00 O ATOM 693 CB LEU A 47 83.502 5.496 7.408 1.00 0.00 C ATOM 694 CG LEU A 47 84.478 5.625 6.238 1.00 0.00 C ATOM 695 CD1 LEU A 47 85.885 5.242 6.702 1.00 0.00 C ATOM 696 CD2 LEU A 47 84.043 4.691 5.106 1.00 0.00 C ATOM 0 H LEU A 47 84.030 5.474 9.894 1.00 0.00 H new ATOM 0 HA LEU A 47 84.030 7.591 7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.754 4.624 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.489 5.343 7.035 1.00 0.00 H new ATOM 0 HG LEU A 47 84.481 6.654 5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 47 86.581 5.334 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 47 86.196 5.906 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.882 4.213 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.738 4.782 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 47 84.040 3.662 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 47 83.041 4.963 4.775 1.00 0.00 H new ATOM 708 N ALA A 48 81.243 7.184 7.731 1.00 0.00 N ATOM 709 CA ALA A 48 79.850 7.615 8.040 1.00 0.00 C ATOM 710 C ALA A 48 78.881 7.022 7.020 1.00 0.00 C ATOM 711 O ALA A 48 78.204 7.731 6.302 1.00 0.00 O ATOM 712 CB ALA A 48 79.873 9.140 7.945 1.00 0.00 C ATOM 0 H ALA A 48 81.397 6.871 6.773 1.00 0.00 H new ATOM 0 HA ALA A 48 79.520 7.279 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.879 9.533 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.585 9.539 8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.171 9.437 6.940 1.00 0.00 H new ATOM 718 N VAL A 49 78.810 5.725 6.957 1.00 0.00 N ATOM 719 CA VAL A 49 77.898 5.069 6.003 1.00 0.00 C ATOM 720 C VAL A 49 76.512 5.695 6.090 1.00 0.00 C ATOM 721 O VAL A 49 75.848 5.649 7.106 1.00 0.00 O ATOM 722 CB VAL A 49 77.869 3.610 6.442 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.188 2.935 6.064 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.678 3.536 7.960 1.00 0.00 C ATOM 0 H VAL A 49 79.356 5.088 7.537 1.00 0.00 H new ATOM 0 HA VAL A 49 78.222 5.175 4.968 1.00 0.00 H new ATOM 0 HB VAL A 49 77.044 3.100 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.166 1.892 6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.326 2.986 4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.013 3.446 6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.657 2.492 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.503 4.048 8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.738 4.015 8.232 1.00 0.00 H new ATOM 734 N VAL A 50 76.084 6.284 5.020 1.00 0.00 N ATOM 735 CA VAL A 50 74.742 6.937 4.997 1.00 0.00 C ATOM 736 C VAL A 50 73.684 5.919 4.572 1.00 0.00 C ATOM 737 O VAL A 50 72.600 5.867 5.122 1.00 0.00 O ATOM 738 CB VAL A 50 74.838 8.072 3.962 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.957 9.241 4.401 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.282 8.563 3.841 1.00 0.00 C ATOM 0 H VAL A 50 76.607 6.346 4.146 1.00 0.00 H new ATOM 0 HA VAL A 50 74.460 7.321 5.977 1.00 0.00 H new ATOM 0 HB VAL A 50 74.504 7.690 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 50 74.026 10.044 3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.922 8.908 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.294 9.606 5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.333 9.366 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.622 8.935 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.921 7.739 3.524 1.00 0.00 H new ATOM 750 N ASP A 51 73.988 5.105 3.598 1.00 0.00 N ATOM 751 CA ASP A 51 72.994 4.090 3.142 1.00 0.00 C ATOM 752 C ASP A 51 73.703 2.814 2.681 1.00 0.00 C ATOM 753 O ASP A 51 74.871 2.824 2.355 1.00 0.00 O ATOM 754 CB ASP A 51 72.262 4.751 1.973 1.00 0.00 C ATOM 755 CG ASP A 51 70.768 4.838 2.289 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.400 5.686 3.086 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.018 4.055 1.730 1.00 0.00 O ATOM 0 H ASP A 51 74.878 5.098 3.100 1.00 0.00 H new ATOM 0 HA ASP A 51 72.311 3.797 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.665 5.748 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.418 4.176 1.060 1.00 0.00 H new ATOM 762 N VAL A 52 72.999 1.717 2.651 1.00 0.00 N ATOM 763 CA VAL A 52 73.614 0.430 2.208 1.00 0.00 C ATOM 764 C VAL A 52 72.514 -0.524 1.736 1.00 0.00 C ATOM 765 O VAL A 52 71.675 -0.947 2.507 1.00 0.00 O ATOM 766 CB VAL A 52 74.313 -0.138 3.446 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.073 -1.406 3.056 1.00 0.00 C ATOM 768 CG2 VAL A 52 75.302 0.888 4.004 1.00 0.00 C ATOM 0 H VAL A 52 72.016 1.654 2.916 1.00 0.00 H new ATOM 0 HA VAL A 52 74.312 0.567 1.382 1.00 0.00 H new ATOM 0 HB VAL A 52 73.566 -0.369 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.573 -1.815 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.373 -2.142 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.815 -1.166 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.795 0.476 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.049 1.123 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 52 74.767 1.797 4.279 1.00 0.00 H new ATOM 778 N ARG A 53 72.503 -0.863 0.476 1.00 0.00 N ATOM 779 CA ARG A 53 71.445 -1.784 -0.032 1.00 0.00 C ATOM 780 C ARG A 53 72.059 -3.112 -0.475 1.00 0.00 C ATOM 781 O ARG A 53 73.253 -3.224 -0.670 1.00 0.00 O ATOM 782 CB ARG A 53 70.825 -1.058 -1.226 1.00 0.00 C ATOM 783 CG ARG A 53 69.516 -0.395 -0.795 1.00 0.00 C ATOM 784 CD ARG A 53 68.378 -0.879 -1.696 1.00 0.00 C ATOM 785 NE ARG A 53 67.174 -0.140 -1.225 1.00 0.00 N ATOM 786 CZ ARG A 53 66.709 0.863 -1.918 1.00 0.00 C ATOM 787 NH1 ARG A 53 67.421 1.948 -2.052 1.00 0.00 N ATOM 788 NH2 ARG A 53 65.534 0.780 -2.479 1.00 0.00 N ATOM 0 H ARG A 53 73.176 -0.545 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 53 70.706 -2.018 0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.517 -0.307 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.639 -1.762 -2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.299 -0.637 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.607 0.689 -0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 53 68.587 -0.666 -2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 53 68.238 -1.957 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 53 66.712 -0.418 -0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 53 68.341 2.012 -1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 53 67.058 2.732 -2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 53 64.978 -0.069 -2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.171 1.564 -3.021 1.00 0.00 H new ATOM 802 N THR A 54 71.249 -4.121 -0.634 1.00 0.00 N ATOM 803 CA THR A 54 71.772 -5.440 -1.062 1.00 0.00 C ATOM 804 C THR A 54 71.920 -5.481 -2.583 1.00 0.00 C ATOM 805 O THR A 54 71.493 -4.586 -3.286 1.00 0.00 O ATOM 806 CB THR A 54 70.713 -6.434 -0.595 1.00 0.00 C ATOM 807 OG1 THR A 54 69.562 -6.320 -1.421 1.00 0.00 O ATOM 808 CG2 THR A 54 70.334 -6.138 0.856 1.00 0.00 C ATOM 0 H THR A 54 70.241 -4.084 -0.484 1.00 0.00 H new ATOM 0 HA THR A 54 72.756 -5.659 -0.648 1.00 0.00 H new ATOM 0 HB THR A 54 71.111 -7.447 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.881 -6.959 -1.123 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.577 -6.850 1.187 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.217 -6.227 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.937 -5.126 0.929 1.00 0.00 H new ATOM 816 N GLY A 55 72.527 -6.513 -3.094 1.00 0.00 N ATOM 817 CA GLY A 55 72.714 -6.621 -4.567 1.00 0.00 C ATOM 818 C GLY A 55 72.368 -8.040 -5.022 1.00 0.00 C ATOM 819 O GLY A 55 72.827 -9.013 -4.455 1.00 0.00 O ATOM 0 H GLY A 55 72.904 -7.291 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.079 -5.898 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.744 -6.384 -4.832 1.00 0.00 H new ATOM 823 N THR A 56 71.560 -8.168 -6.038 1.00 0.00 N ATOM 824 CA THR A 56 71.182 -9.526 -6.526 1.00 0.00 C ATOM 825 C THR A 56 70.703 -10.387 -5.353 1.00 0.00 C ATOM 826 O THR A 56 70.010 -9.919 -4.472 1.00 0.00 O ATOM 827 CB THR A 56 72.462 -10.106 -7.132 1.00 0.00 C ATOM 828 OG1 THR A 56 73.209 -9.066 -7.744 1.00 0.00 O ATOM 829 CG2 THR A 56 72.100 -11.160 -8.181 1.00 0.00 C ATOM 0 H THR A 56 71.145 -7.391 -6.552 1.00 0.00 H new ATOM 0 HA THR A 56 70.371 -9.494 -7.253 1.00 0.00 H new ATOM 0 HB THR A 56 73.059 -10.568 -6.345 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.523 -8.441 -7.058 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.012 -11.573 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.527 -11.959 -7.711 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.503 -10.700 -8.968 1.00 0.00 H new ATOM 837 N ASN A 57 71.067 -11.639 -5.334 1.00 0.00 N ATOM 838 CA ASN A 57 70.631 -12.523 -4.216 1.00 0.00 C ATOM 839 C ASN A 57 71.768 -12.692 -3.206 1.00 0.00 C ATOM 840 O ASN A 57 72.464 -13.688 -3.203 1.00 0.00 O ATOM 841 CB ASN A 57 70.296 -13.860 -4.877 1.00 0.00 C ATOM 842 CG ASN A 57 71.507 -14.358 -5.667 1.00 0.00 C ATOM 843 OD1 ASN A 57 72.580 -13.795 -5.577 1.00 0.00 O ATOM 844 ND2 ASN A 57 71.380 -15.398 -6.446 1.00 0.00 N ATOM 0 H ASN A 57 71.647 -12.088 -6.043 1.00 0.00 H new ATOM 0 HA ASN A 57 69.780 -12.114 -3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.017 -14.592 -4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 57 69.439 -13.745 -5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 57 72.181 -15.737 -6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 57 70.480 -15.871 -6.522 1.00 0.00 H new ATOM 851 N ARG A 58 71.962 -11.727 -2.347 1.00 0.00 N ATOM 852 CA ARG A 58 73.052 -11.836 -1.336 1.00 0.00 C ATOM 853 C ARG A 58 74.400 -12.055 -2.024 1.00 0.00 C ATOM 854 O ARG A 58 75.298 -12.659 -1.472 1.00 0.00 O ATOM 855 CB ARG A 58 72.676 -13.047 -0.486 1.00 0.00 C ATOM 856 CG ARG A 58 73.802 -13.346 0.505 1.00 0.00 C ATOM 857 CD ARG A 58 73.238 -14.114 1.702 1.00 0.00 C ATOM 858 NE ARG A 58 72.371 -15.168 1.107 1.00 0.00 N ATOM 859 CZ ARG A 58 72.603 -16.426 1.367 1.00 0.00 C ATOM 860 NH1 ARG A 58 72.410 -16.890 2.572 1.00 0.00 N ATOM 861 NH2 ARG A 58 73.027 -17.221 0.422 1.00 0.00 N ATOM 0 H ARG A 58 71.413 -10.869 -2.302 1.00 0.00 H new ATOM 0 HA ARG A 58 73.153 -10.931 -0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 58 71.747 -12.853 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 58 72.501 -13.912 -1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 58 74.583 -13.931 0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 58 74.262 -12.416 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 58 74.036 -14.551 2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 58 72.668 -13.458 2.359 1.00 0.00 H new ATOM 0 HE ARG A 58 71.596 -14.907 0.497 1.00 0.00 H new ATOM 0 HH11 ARG A 58 72.078 -16.270 3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 58 72.591 -17.873 2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 58 73.177 -16.859 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 58 73.208 -18.204 0.626 1.00 0.00 H new ATOM 875 N LYS A 59 74.553 -11.563 -3.220 1.00 0.00 N ATOM 876 CA LYS A 59 75.850 -11.741 -3.929 1.00 0.00 C ATOM 877 C LYS A 59 76.665 -10.449 -3.855 1.00 0.00 C ATOM 878 O LYS A 59 77.879 -10.467 -3.819 1.00 0.00 O ATOM 879 CB LYS A 59 75.477 -12.065 -5.375 1.00 0.00 C ATOM 880 CG LYS A 59 76.742 -12.097 -6.235 1.00 0.00 C ATOM 881 CD LYS A 59 77.046 -13.539 -6.644 1.00 0.00 C ATOM 882 CE LYS A 59 77.220 -13.615 -8.163 1.00 0.00 C ATOM 883 NZ LYS A 59 76.983 -15.044 -8.505 1.00 0.00 N ATOM 0 H LYS A 59 73.840 -11.047 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 59 76.460 -12.529 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.968 -13.027 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.783 -11.317 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.607 -11.477 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.582 -11.681 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.951 -13.886 -6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 59 76.236 -14.196 -6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 59 76.512 -12.964 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.219 -13.298 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 77.085 -15.177 -9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.676 -15.639 -8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 76.022 -15.316 -8.214 1.00 0.00 H new ATOM 897 N PHE A 60 76.001 -9.328 -3.818 1.00 0.00 N ATOM 898 CA PHE A 60 76.725 -8.028 -3.731 1.00 0.00 C ATOM 899 C PHE A 60 75.846 -7.008 -3.002 1.00 0.00 C ATOM 900 O PHE A 60 74.733 -7.306 -2.628 1.00 0.00 O ATOM 901 CB PHE A 60 77.005 -7.617 -5.189 1.00 0.00 C ATOM 902 CG PHE A 60 75.882 -6.767 -5.748 1.00 0.00 C ATOM 903 CD1 PHE A 60 75.804 -5.407 -5.422 1.00 0.00 C ATOM 904 CD2 PHE A 60 74.927 -7.337 -6.601 1.00 0.00 C ATOM 905 CE1 PHE A 60 74.771 -4.618 -5.945 1.00 0.00 C ATOM 906 CE2 PHE A 60 73.896 -6.545 -7.125 1.00 0.00 C ATOM 907 CZ PHE A 60 73.817 -5.188 -6.797 1.00 0.00 C ATOM 0 H PHE A 60 74.984 -9.255 -3.844 1.00 0.00 H new ATOM 0 HA PHE A 60 77.657 -8.093 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 60 77.942 -7.063 -5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.129 -8.509 -5.803 1.00 0.00 H new ATOM 0 HD1 PHE A 60 76.541 -4.966 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 60 74.985 -8.385 -6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 60 74.711 -3.570 -5.691 1.00 0.00 H new ATOM 0 HE2 PHE A 60 73.161 -6.984 -7.784 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.021 -4.580 -7.200 1.00 0.00 H new ATOM 917 N GLY A 61 76.332 -5.819 -2.785 1.00 0.00 N ATOM 918 CA GLY A 61 75.500 -4.808 -2.071 1.00 0.00 C ATOM 919 C GLY A 61 75.930 -3.394 -2.464 1.00 0.00 C ATOM 920 O GLY A 61 77.074 -3.144 -2.782 1.00 0.00 O ATOM 0 H GLY A 61 77.260 -5.504 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.448 -4.956 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.600 -4.940 -0.994 1.00 0.00 H new ATOM 924 N TYR A 62 75.013 -2.463 -2.435 1.00 0.00 N ATOM 925 CA TYR A 62 75.353 -1.052 -2.792 1.00 0.00 C ATOM 926 C TYR A 62 75.451 -0.221 -1.525 1.00 0.00 C ATOM 927 O TYR A 62 74.964 -0.604 -0.481 1.00 0.00 O ATOM 928 CB TYR A 62 74.196 -0.577 -3.672 1.00 0.00 C ATOM 929 CG TYR A 62 74.491 0.804 -4.202 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.379 1.918 -3.362 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.874 0.971 -5.538 1.00 0.00 C ATOM 932 CE1 TYR A 62 74.650 3.200 -3.858 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.144 2.253 -6.034 1.00 0.00 C ATOM 934 CZ TYR A 62 75.031 3.366 -5.194 1.00 0.00 C ATOM 935 OH TYR A 62 75.297 4.627 -5.685 1.00 0.00 O ATOM 0 H TYR A 62 74.038 -2.619 -2.178 1.00 0.00 H new ATOM 0 HA TYR A 62 76.308 -0.963 -3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.048 -1.270 -4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.270 -0.566 -3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.084 1.789 -2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.961 0.112 -6.186 1.00 0.00 H new ATOM 0 HE1 TYR A 62 74.565 4.059 -3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.439 2.382 -7.065 1.00 0.00 H new ATOM 0 HH TYR A 62 75.549 4.564 -6.630 1.00 0.00 H new ATOM 945 N VAL A 63 76.101 0.904 -1.594 1.00 0.00 N ATOM 946 CA VAL A 63 76.243 1.722 -0.364 1.00 0.00 C ATOM 947 C VAL A 63 76.440 3.204 -0.697 1.00 0.00 C ATOM 948 O VAL A 63 76.917 3.561 -1.755 1.00 0.00 O ATOM 949 CB VAL A 63 77.483 1.149 0.310 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.786 1.936 1.574 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.242 -0.318 0.674 1.00 0.00 C ATOM 0 H VAL A 63 76.533 1.287 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 63 75.356 1.680 0.268 1.00 0.00 H new ATOM 0 HB VAL A 63 78.327 1.219 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.673 1.525 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.963 2.981 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.939 1.868 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.131 -0.724 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.395 -0.389 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.028 -0.887 -0.231 1.00 0.00 H new ATOM 961 N ASP A 64 76.072 4.062 0.213 1.00 0.00 N ATOM 962 CA ASP A 64 76.222 5.521 -0.011 1.00 0.00 C ATOM 963 C ASP A 64 77.051 6.138 1.118 1.00 0.00 C ATOM 964 O ASP A 64 76.899 5.788 2.273 1.00 0.00 O ATOM 965 CB ASP A 64 74.798 6.063 0.019 1.00 0.00 C ATOM 966 CG ASP A 64 73.893 5.183 -0.845 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.758 4.013 -0.527 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.351 5.693 -1.811 1.00 0.00 O ATOM 0 H ASP A 64 75.668 3.807 1.114 1.00 0.00 H new ATOM 0 HA ASP A 64 76.731 5.752 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.429 6.085 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.781 7.089 -0.348 1.00 0.00 H new ATOM 973 N PHE A 65 77.922 7.053 0.793 1.00 0.00 N ATOM 974 CA PHE A 65 78.762 7.692 1.846 1.00 0.00 C ATOM 975 C PHE A 65 78.340 9.144 2.056 1.00 0.00 C ATOM 976 O PHE A 65 77.496 9.667 1.355 1.00 0.00 O ATOM 977 CB PHE A 65 80.190 7.602 1.320 1.00 0.00 C ATOM 978 CG PHE A 65 80.624 6.161 1.364 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.411 5.409 2.525 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.226 5.572 0.247 1.00 0.00 C ATOM 981 CE1 PHE A 65 80.801 4.068 2.570 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.614 4.229 0.292 1.00 0.00 C ATOM 983 CZ PHE A 65 81.401 3.478 1.454 1.00 0.00 C ATOM 0 H PHE A 65 78.089 7.386 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 65 78.659 7.201 2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.243 7.983 0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.856 8.217 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 65 79.945 5.865 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.391 6.153 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 65 80.639 3.488 3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.078 3.772 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.701 2.441 1.488 1.00 0.00 H new ATOM 993 N GLU A 66 78.900 9.790 3.039 1.00 0.00 N ATOM 994 CA GLU A 66 78.509 11.198 3.321 1.00 0.00 C ATOM 995 C GLU A 66 79.679 12.155 3.086 1.00 0.00 C ATOM 996 O GLU A 66 79.653 13.293 3.510 1.00 0.00 O ATOM 997 CB GLU A 66 78.109 11.194 4.797 1.00 0.00 C ATOM 998 CG GLU A 66 76.584 11.239 4.916 1.00 0.00 C ATOM 999 CD GLU A 66 76.169 12.487 5.697 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.956 13.418 5.750 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.071 12.490 6.228 1.00 0.00 O ATOM 0 H GLU A 66 79.612 9.404 3.659 1.00 0.00 H new ATOM 0 HA GLU A 66 77.705 11.537 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.496 10.300 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.549 12.052 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.132 11.251 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.222 10.344 5.421 1.00 0.00 H new ATOM 1008 N SER A 67 80.703 11.713 2.413 1.00 0.00 N ATOM 1009 CA SER A 67 81.861 12.620 2.161 1.00 0.00 C ATOM 1010 C SER A 67 82.795 12.070 1.101 1.00 0.00 C ATOM 1011 O SER A 67 82.673 10.954 0.632 1.00 0.00 O ATOM 1012 CB SER A 67 82.618 12.697 3.477 1.00 0.00 C ATOM 1013 OG SER A 67 83.973 13.041 3.213 1.00 0.00 O ATOM 0 H SER A 67 80.791 10.772 2.029 1.00 0.00 H new ATOM 0 HA SER A 67 81.505 13.588 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 67 82.162 13.440 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 67 82.567 11.740 3.997 1.00 0.00 H new ATOM 0 HG SER A 67 84.467 13.094 4.057 1.00 0.00 H new ATOM 1019 N ALA A 68 83.766 12.857 0.777 1.00 0.00 N ATOM 1020 CA ALA A 68 84.794 12.442 -0.206 1.00 0.00 C ATOM 1021 C ALA A 68 85.886 11.726 0.564 1.00 0.00 C ATOM 1022 O ALA A 68 86.595 10.883 0.051 1.00 0.00 O ATOM 1023 CB ALA A 68 85.324 13.745 -0.787 1.00 0.00 C ATOM 0 H ALA A 68 83.897 13.794 1.159 1.00 0.00 H new ATOM 0 HA ALA A 68 84.422 11.783 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.094 13.527 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.508 14.290 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.750 14.352 0.011 1.00 0.00 H new ATOM 1029 N GLU A 69 85.993 12.057 1.817 1.00 0.00 N ATOM 1030 CA GLU A 69 87.002 11.408 2.683 1.00 0.00 C ATOM 1031 C GLU A 69 86.383 10.139 3.256 1.00 0.00 C ATOM 1032 O GLU A 69 87.067 9.212 3.648 1.00 0.00 O ATOM 1033 CB GLU A 69 87.287 12.433 3.777 1.00 0.00 C ATOM 1034 CG GLU A 69 88.797 12.550 3.985 1.00 0.00 C ATOM 1035 CD GLU A 69 89.163 12.044 5.381 1.00 0.00 C ATOM 1036 OE1 GLU A 69 88.280 11.988 6.221 1.00 0.00 O ATOM 1037 OE2 GLU A 69 90.322 11.722 5.588 1.00 0.00 O ATOM 0 H GLU A 69 85.416 12.759 2.281 1.00 0.00 H new ATOM 0 HA GLU A 69 87.919 11.126 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.871 13.402 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.803 12.133 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.325 11.971 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 69 89.111 13.587 3.869 1.00 0.00 H new ATOM 1044 N ASP A 70 85.078 10.080 3.264 1.00 0.00 N ATOM 1045 CA ASP A 70 84.387 8.870 3.762 1.00 0.00 C ATOM 1046 C ASP A 70 84.323 7.879 2.613 1.00 0.00 C ATOM 1047 O ASP A 70 84.369 6.679 2.799 1.00 0.00 O ATOM 1048 CB ASP A 70 82.986 9.342 4.153 1.00 0.00 C ATOM 1049 CG ASP A 70 82.099 8.131 4.448 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.584 7.205 5.077 1.00 0.00 O ATOM 1051 OD2 ASP A 70 80.949 8.151 4.039 1.00 0.00 O ATOM 0 H ASP A 70 84.462 10.827 2.943 1.00 0.00 H new ATOM 0 HA ASP A 70 84.883 8.392 4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 70 83.040 9.987 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.553 9.935 3.347 1.00 0.00 H new ATOM 1056 N LEU A 71 84.233 8.387 1.414 1.00 0.00 N ATOM 1057 CA LEU A 71 84.186 7.496 0.233 1.00 0.00 C ATOM 1058 C LEU A 71 85.586 6.946 -0.051 1.00 0.00 C ATOM 1059 O LEU A 71 85.751 5.821 -0.479 1.00 0.00 O ATOM 1060 CB LEU A 71 83.711 8.379 -0.922 1.00 0.00 C ATOM 1061 CG LEU A 71 83.658 7.549 -2.207 1.00 0.00 C ATOM 1062 CD1 LEU A 71 82.660 8.176 -3.182 1.00 0.00 C ATOM 1063 CD2 LEU A 71 85.046 7.519 -2.850 1.00 0.00 C ATOM 0 H LEU A 71 84.190 9.385 1.207 1.00 0.00 H new ATOM 0 HA LEU A 71 83.524 6.643 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 71 82.726 8.789 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.387 9.225 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 71 83.343 6.533 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 71 82.624 7.584 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 71 81.671 8.199 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 71 82.974 9.192 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 71 85.010 6.928 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 71 85.360 8.536 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 71 85.758 7.071 -2.157 1.00 0.00 H new ATOM 1075 N GLU A 72 86.598 7.736 0.192 1.00 0.00 N ATOM 1076 CA GLU A 72 87.992 7.269 -0.056 1.00 0.00 C ATOM 1077 C GLU A 72 88.423 6.299 1.047 1.00 0.00 C ATOM 1078 O GLU A 72 89.124 5.331 0.803 1.00 0.00 O ATOM 1079 CB GLU A 72 88.849 8.536 -0.021 1.00 0.00 C ATOM 1080 CG GLU A 72 89.355 8.849 -1.431 1.00 0.00 C ATOM 1081 CD GLU A 72 89.674 10.341 -1.540 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.306 10.861 -0.635 1.00 0.00 O ATOM 1083 OE2 GLU A 72 89.278 10.940 -2.527 1.00 0.00 O ATOM 0 H GLU A 72 86.518 8.687 0.552 1.00 0.00 H new ATOM 0 HA GLU A 72 88.089 6.740 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.264 9.373 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.691 8.400 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.246 8.259 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.602 8.573 -2.169 1.00 0.00 H new ATOM 1090 N LYS A 73 87.983 6.526 2.256 1.00 0.00 N ATOM 1091 CA LYS A 73 88.346 5.597 3.349 1.00 0.00 C ATOM 1092 C LYS A 73 87.484 4.365 3.188 1.00 0.00 C ATOM 1093 O LYS A 73 87.855 3.267 3.553 1.00 0.00 O ATOM 1094 CB LYS A 73 88.017 6.339 4.644 1.00 0.00 C ATOM 1095 CG LYS A 73 88.852 5.763 5.790 1.00 0.00 C ATOM 1096 CD LYS A 73 89.941 6.765 6.181 1.00 0.00 C ATOM 1097 CE LYS A 73 89.307 7.946 6.919 1.00 0.00 C ATOM 1098 NZ LYS A 73 88.929 7.405 8.254 1.00 0.00 N ATOM 0 H LYS A 73 87.392 7.312 2.527 1.00 0.00 H new ATOM 0 HA LYS A 73 89.393 5.294 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 73 88.224 7.403 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 73 86.955 6.244 4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.214 5.550 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.304 4.819 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 73 90.683 6.282 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 73 90.463 7.117 5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 73 90.008 8.776 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.435 8.324 6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 89.039 8.148 8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 87.939 7.088 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 89.545 6.601 8.490 1.00 0.00 H new ATOM 1112 N ALA A 74 86.335 4.545 2.605 1.00 0.00 N ATOM 1113 CA ALA A 74 85.444 3.393 2.378 1.00 0.00 C ATOM 1114 C ALA A 74 86.053 2.520 1.285 1.00 0.00 C ATOM 1115 O ALA A 74 85.879 1.317 1.259 1.00 0.00 O ATOM 1116 CB ALA A 74 84.116 3.987 1.923 1.00 0.00 C ATOM 0 H ALA A 74 85.980 5.443 2.278 1.00 0.00 H new ATOM 0 HA ALA A 74 85.307 2.775 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.403 3.184 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.726 4.644 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.268 4.559 1.007 1.00 0.00 H new ATOM 1122 N LEU A 75 86.798 3.124 0.396 1.00 0.00 N ATOM 1123 CA LEU A 75 87.455 2.348 -0.678 1.00 0.00 C ATOM 1124 C LEU A 75 88.537 1.491 -0.039 1.00 0.00 C ATOM 1125 O LEU A 75 88.654 0.310 -0.303 1.00 0.00 O ATOM 1126 CB LEU A 75 88.066 3.397 -1.605 1.00 0.00 C ATOM 1127 CG LEU A 75 88.197 2.827 -3.015 1.00 0.00 C ATOM 1128 CD1 LEU A 75 89.226 1.696 -3.014 1.00 0.00 C ATOM 1129 CD2 LEU A 75 86.841 2.284 -3.474 1.00 0.00 C ATOM 0 H LEU A 75 86.976 4.128 0.374 1.00 0.00 H new ATOM 0 HA LEU A 75 86.779 1.691 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.441 4.290 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.045 3.699 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 75 88.523 3.613 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 75 89.320 1.289 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 75 90.191 2.083 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 75 88.901 0.909 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.934 1.877 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.515 1.498 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 75 86.108 3.090 -3.475 1.00 0.00 H new ATOM 1141 N GLU A 76 89.313 2.079 0.830 1.00 0.00 N ATOM 1142 CA GLU A 76 90.367 1.295 1.518 1.00 0.00 C ATOM 1143 C GLU A 76 89.704 0.311 2.484 1.00 0.00 C ATOM 1144 O GLU A 76 90.314 -0.628 2.954 1.00 0.00 O ATOM 1145 CB GLU A 76 91.199 2.322 2.281 1.00 0.00 C ATOM 1146 CG GLU A 76 92.615 2.366 1.703 1.00 0.00 C ATOM 1147 CD GLU A 76 93.450 3.388 2.477 1.00 0.00 C ATOM 1148 OE1 GLU A 76 92.931 4.454 2.763 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.596 3.086 2.770 1.00 0.00 O ATOM 0 H GLU A 76 89.260 3.064 1.090 1.00 0.00 H new ATOM 0 HA GLU A 76 90.985 0.719 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 76 90.735 3.306 2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.235 2.062 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.076 1.380 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.580 2.634 0.647 1.00 0.00 H new ATOM 1156 N LEU A 77 88.447 0.528 2.775 1.00 0.00 N ATOM 1157 CA LEU A 77 87.718 -0.382 3.703 1.00 0.00 C ATOM 1158 C LEU A 77 87.428 -1.720 3.014 1.00 0.00 C ATOM 1159 O LEU A 77 86.837 -2.610 3.591 1.00 0.00 O ATOM 1160 CB LEU A 77 86.408 0.345 4.015 1.00 0.00 C ATOM 1161 CG LEU A 77 86.441 0.878 5.448 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.521 -0.293 6.427 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.664 1.780 5.630 1.00 0.00 C ATOM 0 H LEU A 77 87.893 1.301 2.407 1.00 0.00 H new ATOM 0 HA LEU A 77 88.294 -0.602 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.262 1.167 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 77 85.565 -0.335 3.889 1.00 0.00 H new ATOM 0 HG LEU A 77 85.535 1.452 5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.545 0.087 7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.649 -0.935 6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 77 87.426 -0.868 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 77 87.687 2.160 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.571 1.207 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.606 2.616 4.933 1.00 0.00 H new ATOM 1175 N THR A 78 87.837 -1.866 1.782 1.00 0.00 N ATOM 1176 CA THR A 78 87.581 -3.145 1.058 1.00 0.00 C ATOM 1177 C THR A 78 88.571 -4.219 1.496 1.00 0.00 C ATOM 1178 O THR A 78 88.605 -5.309 0.961 1.00 0.00 O ATOM 1179 CB THR A 78 87.774 -2.808 -0.419 1.00 0.00 C ATOM 1180 OG1 THR A 78 86.656 -2.068 -0.886 1.00 0.00 O ATOM 1181 CG2 THR A 78 87.911 -4.100 -1.228 1.00 0.00 C ATOM 0 H THR A 78 88.337 -1.156 1.246 1.00 0.00 H new ATOM 0 HA THR A 78 86.585 -3.538 1.263 1.00 0.00 H new ATOM 0 HB THR A 78 88.678 -2.212 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 78 86.640 -2.082 -1.866 1.00 0.00 H new ATOM 0 HG21 THR A 78 88.049 -3.857 -2.282 1.00 0.00 H new ATOM 0 HG22 THR A 78 88.773 -4.664 -0.870 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.009 -4.701 -1.109 1.00 0.00 H new ATOM 1189 N GLY A 79 89.373 -3.917 2.466 1.00 0.00 N ATOM 1190 CA GLY A 79 90.367 -4.912 2.956 1.00 0.00 C ATOM 1191 C GLY A 79 89.884 -5.509 4.280 1.00 0.00 C ATOM 1192 O GLY A 79 90.635 -6.142 4.996 1.00 0.00 O ATOM 0 H GLY A 79 89.388 -3.018 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.501 -5.702 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.337 -4.435 3.093 1.00 0.00 H new ATOM 1196 N LEU A 80 88.638 -5.309 4.614 1.00 0.00 N ATOM 1197 CA LEU A 80 88.113 -5.862 5.893 1.00 0.00 C ATOM 1198 C LEU A 80 87.038 -6.910 5.630 1.00 0.00 C ATOM 1199 O LEU A 80 86.111 -6.693 4.875 1.00 0.00 O ATOM 1200 CB LEU A 80 87.519 -4.664 6.623 1.00 0.00 C ATOM 1201 CG LEU A 80 88.530 -4.131 7.640 1.00 0.00 C ATOM 1202 CD1 LEU A 80 88.392 -2.612 7.751 1.00 0.00 C ATOM 1203 CD2 LEU A 80 88.262 -4.769 9.005 1.00 0.00 C ATOM 0 H LEU A 80 87.962 -4.787 4.056 1.00 0.00 H new ATOM 0 HA LEU A 80 88.893 -6.356 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 80 87.259 -3.882 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.597 -4.953 7.128 1.00 0.00 H new ATOM 0 HG LEU A 80 89.540 -4.380 7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 80 89.113 -2.233 8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 80 88.582 -2.157 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 80 87.383 -2.361 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.981 -4.390 9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 80 87.252 -4.520 9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 80 88.361 -5.852 8.926 1.00 0.00 H new ATOM 1215 N LYS A 81 87.152 -8.040 6.263 1.00 0.00 N ATOM 1216 CA LYS A 81 86.134 -9.106 6.068 1.00 0.00 C ATOM 1217 C LYS A 81 84.877 -8.753 6.830 1.00 0.00 C ATOM 1218 O LYS A 81 84.654 -9.184 7.943 1.00 0.00 O ATOM 1219 CB LYS A 81 86.728 -10.359 6.650 1.00 0.00 C ATOM 1220 CG LYS A 81 87.693 -10.992 5.649 1.00 0.00 C ATOM 1221 CD LYS A 81 88.612 -11.975 6.376 1.00 0.00 C ATOM 1222 CE LYS A 81 90.073 -11.606 6.104 1.00 0.00 C ATOM 1223 NZ LYS A 81 90.869 -12.634 6.830 1.00 0.00 N ATOM 0 H LYS A 81 87.907 -8.273 6.908 1.00 0.00 H new ATOM 0 HA LYS A 81 85.878 -9.227 5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.253 -10.126 7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 81 85.936 -11.065 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.136 -11.509 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.285 -10.219 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.413 -11.951 7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.414 -12.992 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.291 -11.619 5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.301 -10.603 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 91.883 -12.449 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.645 -12.594 7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 90.636 -13.578 6.461 1.00 0.00 H new ATOM 1237 N VAL A 82 84.076 -7.966 6.217 1.00 0.00 N ATOM 1238 CA VAL A 82 82.789 -7.520 6.834 1.00 0.00 C ATOM 1239 C VAL A 82 82.225 -8.602 7.757 1.00 0.00 C ATOM 1240 O VAL A 82 82.587 -8.692 8.913 1.00 0.00 O ATOM 1241 CB VAL A 82 81.863 -7.221 5.646 1.00 0.00 C ATOM 1242 CG1 VAL A 82 82.038 -8.287 4.558 1.00 0.00 C ATOM 1243 CG2 VAL A 82 80.405 -7.187 6.116 1.00 0.00 C ATOM 0 H VAL A 82 84.248 -7.591 5.284 1.00 0.00 H new ATOM 0 HA VAL A 82 82.909 -6.640 7.466 1.00 0.00 H new ATOM 0 HB VAL A 82 82.126 -6.248 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 82 81.376 -8.064 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 82 83.072 -8.288 4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 82 81.790 -9.267 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 82 79.754 -6.974 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 82 80.138 -8.153 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 82 80.284 -6.409 6.870 1.00 0.00 H new ATOM 1253 N PHE A 83 81.357 -9.416 7.265 1.00 0.00 N ATOM 1254 CA PHE A 83 80.777 -10.492 8.116 1.00 0.00 C ATOM 1255 C PHE A 83 81.460 -11.831 7.818 1.00 0.00 C ATOM 1256 O PHE A 83 80.872 -12.883 7.969 1.00 0.00 O ATOM 1257 CB PHE A 83 79.294 -10.546 7.740 1.00 0.00 C ATOM 1258 CG PHE A 83 78.455 -10.212 8.952 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.850 -10.653 10.220 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.281 -9.460 8.807 1.00 0.00 C ATOM 1261 CE1 PHE A 83 78.074 -10.344 11.343 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.505 -9.151 9.932 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.902 -9.593 11.198 1.00 0.00 C ATOM 0 H PHE A 83 81.015 -9.391 6.304 1.00 0.00 H new ATOM 0 HA PHE A 83 80.917 -10.296 9.179 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.086 -9.841 6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.038 -11.538 7.369 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.755 -11.232 10.332 1.00 0.00 H new ATOM 0 HD2 PHE A 83 76.975 -9.119 7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.380 -10.685 12.321 1.00 0.00 H new ATOM 0 HE2 PHE A 83 75.600 -8.572 9.821 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.303 -9.355 12.065 1.00 0.00 H new ATOM 1273 N GLY A 84 82.701 -11.804 7.402 1.00 0.00 N ATOM 1274 CA GLY A 84 83.411 -13.081 7.105 1.00 0.00 C ATOM 1275 C GLY A 84 83.907 -13.073 5.659 1.00 0.00 C ATOM 1276 O GLY A 84 84.259 -14.098 5.108 1.00 0.00 O ATOM 0 H GLY A 84 83.249 -10.956 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 84 84.252 -13.207 7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 84 82.741 -13.926 7.265 1.00 0.00 H new ATOM 1280 N ASN A 85 83.944 -11.927 5.039 1.00 0.00 N ATOM 1281 CA ASN A 85 84.424 -11.856 3.629 1.00 0.00 C ATOM 1282 C ASN A 85 84.872 -10.431 3.315 1.00 0.00 C ATOM 1283 O ASN A 85 84.088 -9.508 3.349 1.00 0.00 O ATOM 1284 CB ASN A 85 83.217 -12.243 2.773 1.00 0.00 C ATOM 1285 CG ASN A 85 83.342 -13.707 2.348 1.00 0.00 C ATOM 1286 OD1 ASN A 85 84.427 -14.250 2.308 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.267 -14.375 2.026 1.00 0.00 N ATOM 0 H ASN A 85 83.663 -11.035 5.447 1.00 0.00 H new ATOM 0 HA ASN A 85 85.273 -12.513 3.442 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.296 -12.094 3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 85 83.161 -11.601 1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.340 -15.352 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.355 -13.920 2.059 1.00 0.00 H new ATOM 1294 N GLU A 86 86.130 -10.245 3.023 1.00 0.00 N ATOM 1295 CA GLU A 86 86.634 -8.875 2.717 1.00 0.00 C ATOM 1296 C GLU A 86 85.784 -8.224 1.623 1.00 0.00 C ATOM 1297 O GLU A 86 86.122 -8.261 0.456 1.00 0.00 O ATOM 1298 CB GLU A 86 88.067 -9.084 2.236 1.00 0.00 C ATOM 1299 CG GLU A 86 88.589 -7.794 1.603 1.00 0.00 C ATOM 1300 CD GLU A 86 90.107 -7.888 1.430 1.00 0.00 C ATOM 1301 OE1 GLU A 86 90.746 -8.474 2.288 1.00 0.00 O ATOM 1302 OE2 GLU A 86 90.604 -7.372 0.443 1.00 0.00 O ATOM 0 H GLU A 86 86.832 -10.984 2.983 1.00 0.00 H new ATOM 0 HA GLU A 86 86.586 -8.214 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.703 -9.374 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.103 -9.897 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 86 88.112 -7.631 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.336 -6.940 2.231 1.00 0.00 H new ATOM 1309 N ILE A 87 84.681 -7.632 1.992 1.00 0.00 N ATOM 1310 CA ILE A 87 83.808 -6.985 0.976 1.00 0.00 C ATOM 1311 C ILE A 87 84.654 -6.208 -0.028 1.00 0.00 C ATOM 1312 O ILE A 87 85.751 -5.774 0.259 1.00 0.00 O ATOM 1313 CB ILE A 87 82.876 -6.030 1.737 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.590 -5.422 2.954 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.637 -6.794 2.205 1.00 0.00 C ATOM 1316 CD1 ILE A 87 84.968 -4.903 2.542 1.00 0.00 C ATOM 0 H ILE A 87 84.348 -7.569 2.954 1.00 0.00 H new ATOM 0 HA ILE A 87 83.237 -7.729 0.420 1.00 0.00 H new ATOM 0 HB ILE A 87 82.585 -5.222 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 87 82.994 -4.609 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 87 83.694 -6.172 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.975 -6.117 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.113 -7.201 1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.939 -7.609 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 87 85.469 -4.473 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 87 85.565 -5.727 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 87 84.854 -4.139 1.773 1.00 0.00 H new ATOM 1328 N LYS A 88 84.139 -6.033 -1.205 1.00 0.00 N ATOM 1329 CA LYS A 88 84.890 -5.283 -2.251 1.00 0.00 C ATOM 1330 C LYS A 88 83.993 -4.204 -2.861 1.00 0.00 C ATOM 1331 O LYS A 88 82.783 -4.292 -2.812 1.00 0.00 O ATOM 1332 CB LYS A 88 85.263 -6.329 -3.300 1.00 0.00 C ATOM 1333 CG LYS A 88 86.368 -7.234 -2.750 1.00 0.00 C ATOM 1334 CD LYS A 88 87.097 -7.913 -3.910 1.00 0.00 C ATOM 1335 CE LYS A 88 88.139 -6.954 -4.490 1.00 0.00 C ATOM 1336 NZ LYS A 88 89.454 -7.524 -4.086 1.00 0.00 N ATOM 0 H LYS A 88 83.224 -6.378 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 88 85.771 -4.780 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.388 -6.924 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.601 -5.839 -4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 88 87.071 -6.648 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.940 -7.985 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.581 -8.827 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 88 86.384 -8.202 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 88 88.054 -6.888 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 88 88.009 -5.945 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 90.220 -6.920 -4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 89.509 -7.569 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 89.553 -8.482 -4.479 1.00 0.00 H new ATOM 1350 N LEU A 89 84.571 -3.187 -3.433 1.00 0.00 N ATOM 1351 CA LEU A 89 83.745 -2.112 -4.039 1.00 0.00 C ATOM 1352 C LEU A 89 83.796 -2.206 -5.563 1.00 0.00 C ATOM 1353 O LEU A 89 84.437 -3.072 -6.124 1.00 0.00 O ATOM 1354 CB LEU A 89 84.382 -0.812 -3.562 1.00 0.00 C ATOM 1355 CG LEU A 89 83.847 -0.458 -2.174 1.00 0.00 C ATOM 1356 CD1 LEU A 89 84.942 0.244 -1.368 1.00 0.00 C ATOM 1357 CD2 LEU A 89 82.642 0.476 -2.314 1.00 0.00 C ATOM 0 H LEU A 89 85.580 -3.055 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 89 82.696 -2.182 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.466 -0.917 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 89 84.161 -0.008 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 89 83.544 -1.370 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 89 84.560 0.496 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.801 -0.419 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.245 1.155 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 89 82.260 0.728 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 89 82.946 1.387 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 89 81.861 -0.022 -2.888 1.00 0.00 H new ATOM 1369 N GLU A 90 83.123 -1.318 -6.230 1.00 0.00 N ATOM 1370 CA GLU A 90 83.123 -1.344 -7.721 1.00 0.00 C ATOM 1371 C GLU A 90 82.170 -0.281 -8.268 1.00 0.00 C ATOM 1372 O GLU A 90 81.699 0.576 -7.547 1.00 0.00 O ATOM 1373 CB GLU A 90 82.634 -2.745 -8.094 1.00 0.00 C ATOM 1374 CG GLU A 90 83.589 -3.364 -9.116 1.00 0.00 C ATOM 1375 CD GLU A 90 83.014 -4.691 -9.613 1.00 0.00 C ATOM 1376 OE1 GLU A 90 83.049 -5.648 -8.858 1.00 0.00 O ATOM 1377 OE2 GLU A 90 82.549 -4.729 -10.740 1.00 0.00 O ATOM 0 H GLU A 90 82.570 -0.571 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 90 84.108 -1.132 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.581 -3.372 -7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 90 81.627 -2.692 -8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.734 -2.682 -9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 90 84.567 -3.526 -8.664 1.00 0.00 H new