USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=12 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 24 ASN : amide:sc= -0.654 X(o=-1.2,f=-1.4!) USER MOD Set 1.2: A 85 ASN : amide:sc= -0.592 K(o=-1.2,f=-4.7!) USER MOD Set 2.1: A 16 THR OG1 : rot -80:sc= -2.46! USER MOD Set 2.2: A 19 ASN : amide:sc= -0.966 K(o=-3.4,f=-6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.89 K(o=-1.9,f=-8!) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= -0.86 (180deg=-3.17!) USER MOD Single : A 39 SER OG : rot -72:sc= 0.929 USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= -0.0866 (180deg=-0.871) USER MOD Single : A 45 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.36) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.59! C(o=-1.6!,f=-7.7!) USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= -0.0693 (180deg=-0.766) USER MOD Single : A 62 TYR OH : rot 180:sc= -5.44! USER MOD Single : A 67 SER OG : rot 180:sc= -3.22! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 100:sc= 0.514 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.259 10.631 -1.882 1.00 0.00 N ATOM 191 CA THR A 15 70.372 11.462 -0.650 1.00 0.00 C ATOM 192 C THR A 15 71.837 11.799 -0.371 1.00 0.00 C ATOM 193 O THR A 15 72.150 12.730 0.344 1.00 0.00 O ATOM 194 CB THR A 15 69.789 10.591 0.467 1.00 0.00 C ATOM 195 OG1 THR A 15 69.411 11.416 1.560 1.00 0.00 O ATOM 196 CG2 THR A 15 70.828 9.567 0.933 1.00 0.00 C ATOM 0 HA THR A 15 69.846 12.412 -0.739 1.00 0.00 H new ATOM 0 HB THR A 15 68.915 10.061 0.087 1.00 0.00 H new ATOM 0 HG1 THR A 15 69.036 10.860 2.275 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.403 8.953 1.727 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.113 8.930 0.095 1.00 0.00 H new ATOM 0 HG23 THR A 15 71.709 10.088 1.309 1.00 0.00 H new ATOM 204 N THR A 16 72.730 11.042 -0.931 1.00 0.00 N ATOM 205 CA THR A 16 74.180 11.303 -0.702 1.00 0.00 C ATOM 206 C THR A 16 74.913 11.486 -2.031 1.00 0.00 C ATOM 207 O THR A 16 74.498 10.969 -3.049 1.00 0.00 O ATOM 208 CB THR A 16 74.699 10.059 0.015 1.00 0.00 C ATOM 209 OG1 THR A 16 74.512 8.926 -0.821 1.00 0.00 O ATOM 210 CG2 THR A 16 73.935 9.863 1.323 1.00 0.00 C ATOM 0 H THR A 16 72.523 10.250 -1.540 1.00 0.00 H new ATOM 0 HA THR A 16 74.340 12.213 -0.123 1.00 0.00 H new ATOM 0 HB THR A 16 75.760 10.180 0.235 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.581 8.625 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.308 8.974 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.078 10.734 1.962 1.00 0.00 H new ATOM 0 HG23 THR A 16 72.873 9.740 1.109 1.00 0.00 H new ATOM 218 N PRO A 17 75.985 12.225 -1.970 1.00 0.00 N ATOM 219 CA PRO A 17 76.797 12.494 -3.176 1.00 0.00 C ATOM 220 C PRO A 17 77.714 11.305 -3.483 1.00 0.00 C ATOM 221 O PRO A 17 78.163 11.130 -4.599 1.00 0.00 O ATOM 222 CB PRO A 17 77.619 13.717 -2.784 1.00 0.00 C ATOM 223 CG PRO A 17 77.706 13.676 -1.289 1.00 0.00 C ATOM 224 CD PRO A 17 76.529 12.881 -0.778 1.00 0.00 C ATOM 0 HA PRO A 17 76.194 12.654 -4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.610 13.685 -3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.142 14.636 -3.125 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.643 13.216 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.692 14.685 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.838 12.151 -0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.788 13.527 -0.307 1.00 0.00 H new ATOM 232 N PHE A 18 78.006 10.491 -2.503 1.00 0.00 N ATOM 233 CA PHE A 18 78.903 9.326 -2.749 1.00 0.00 C ATOM 234 C PHE A 18 78.108 8.016 -2.753 1.00 0.00 C ATOM 235 O PHE A 18 77.588 7.588 -1.742 1.00 0.00 O ATOM 236 CB PHE A 18 79.901 9.345 -1.592 1.00 0.00 C ATOM 237 CG PHE A 18 80.798 10.553 -1.724 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.918 10.505 -2.562 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.505 11.722 -1.011 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.748 11.626 -2.686 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.336 12.843 -1.136 1.00 0.00 C ATOM 242 CZ PHE A 18 82.457 12.794 -1.973 1.00 0.00 C ATOM 0 H PHE A 18 77.663 10.583 -1.547 1.00 0.00 H new ATOM 0 HA PHE A 18 79.396 9.390 -3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.371 9.374 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.498 8.433 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.142 9.604 -3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.640 11.759 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.613 11.589 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.112 13.745 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.098 13.658 -2.068 1.00 0.00 H new ATOM 252 N ASN A 19 78.024 7.376 -3.887 1.00 0.00 N ATOM 253 CA ASN A 19 77.281 6.091 -3.979 1.00 0.00 C ATOM 254 C ASN A 19 78.059 5.117 -4.862 1.00 0.00 C ATOM 255 O ASN A 19 78.779 5.514 -5.756 1.00 0.00 O ATOM 256 CB ASN A 19 75.944 6.447 -4.627 1.00 0.00 C ATOM 257 CG ASN A 19 75.391 7.729 -4.000 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.872 8.811 -4.275 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.393 7.653 -3.164 1.00 0.00 N ATOM 0 H ASN A 19 78.443 7.693 -4.761 1.00 0.00 H new ATOM 0 HA ASN A 19 77.143 5.616 -3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.074 6.583 -5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.235 5.630 -4.493 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.016 8.501 -2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 19 73.989 6.745 -2.933 1.00 0.00 H new ATOM 266 N LEU A 20 77.925 3.850 -4.616 1.00 0.00 N ATOM 267 CA LEU A 20 78.662 2.850 -5.437 1.00 0.00 C ATOM 268 C LEU A 20 78.120 1.452 -5.174 1.00 0.00 C ATOM 269 O LEU A 20 77.204 1.258 -4.401 1.00 0.00 O ATOM 270 CB LEU A 20 80.116 2.956 -4.981 1.00 0.00 C ATOM 271 CG LEU A 20 80.227 2.512 -3.522 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.298 0.985 -3.456 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.497 3.103 -2.909 1.00 0.00 C ATOM 0 H LEU A 20 77.336 3.459 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 20 78.557 3.035 -6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.752 2.334 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.468 3.982 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 20 79.355 2.860 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.377 0.669 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.397 0.559 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 20 81.171 0.637 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 20 81.579 2.788 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.367 2.752 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.452 4.191 -2.957 1.00 0.00 H new ATOM 285 N PHE A 21 78.682 0.482 -5.823 1.00 0.00 N ATOM 286 CA PHE A 21 78.212 -0.910 -5.635 1.00 0.00 C ATOM 287 C PHE A 21 79.259 -1.714 -4.866 1.00 0.00 C ATOM 288 O PHE A 21 80.433 -1.400 -4.881 1.00 0.00 O ATOM 289 CB PHE A 21 78.046 -1.441 -7.054 1.00 0.00 C ATOM 290 CG PHE A 21 76.721 -2.155 -7.188 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.463 -3.311 -6.440 1.00 0.00 C ATOM 292 CD2 PHE A 21 75.748 -1.656 -8.062 1.00 0.00 C ATOM 293 CE1 PHE A 21 75.232 -3.967 -6.570 1.00 0.00 C ATOM 294 CE2 PHE A 21 74.518 -2.312 -8.189 1.00 0.00 C ATOM 295 CZ PHE A 21 74.259 -3.467 -7.443 1.00 0.00 C ATOM 0 H PHE A 21 79.453 0.593 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 21 77.288 -0.977 -5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 21 78.099 -0.618 -7.767 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.862 -2.123 -7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 21 77.212 -3.696 -5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 21 75.946 -0.765 -8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 21 75.034 -4.860 -5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 21 73.768 -1.926 -8.864 1.00 0.00 H new ATOM 0 HZ PHE A 21 73.309 -3.972 -7.541 1.00 0.00 H new ATOM 305 N ILE A 22 78.845 -2.745 -4.194 1.00 0.00 N ATOM 306 CA ILE A 22 79.813 -3.570 -3.419 1.00 0.00 C ATOM 307 C ILE A 22 79.428 -5.041 -3.531 1.00 0.00 C ATOM 308 O ILE A 22 78.271 -5.378 -3.654 1.00 0.00 O ATOM 309 CB ILE A 22 79.692 -3.064 -1.976 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.678 -1.912 -1.762 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.005 -4.189 -0.984 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.495 -1.338 -0.355 1.00 0.00 C ATOM 0 H ILE A 22 77.875 -3.056 -4.146 1.00 0.00 H new ATOM 0 HA ILE A 22 80.838 -3.485 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 22 78.671 -2.721 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.701 -2.266 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.513 -1.134 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.914 -3.812 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.303 -5.010 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.021 -4.547 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.197 -0.518 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.476 -0.969 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.682 -2.118 0.383 1.00 0.00 H new ATOM 324 N GLY A 23 80.385 -5.918 -3.490 1.00 0.00 N ATOM 325 CA GLY A 23 80.055 -7.363 -3.600 1.00 0.00 C ATOM 326 C GLY A 23 80.812 -8.157 -2.537 1.00 0.00 C ATOM 327 O GLY A 23 81.400 -7.601 -1.630 1.00 0.00 O ATOM 0 H GLY A 23 81.376 -5.701 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 23 78.982 -7.509 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.316 -7.729 -4.593 1.00 0.00 H new ATOM 331 N ASN A 24 80.793 -9.458 -2.643 1.00 0.00 N ATOM 332 CA ASN A 24 81.501 -10.312 -1.643 1.00 0.00 C ATOM 333 C ASN A 24 80.737 -10.309 -0.317 1.00 0.00 C ATOM 334 O ASN A 24 81.315 -10.443 0.744 1.00 0.00 O ATOM 335 CB ASN A 24 82.886 -9.682 -1.470 1.00 0.00 C ATOM 336 CG ASN A 24 83.955 -10.774 -1.537 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.821 -11.727 -2.277 1.00 0.00 O ATOM 338 ND2 ASN A 24 85.019 -10.675 -0.788 1.00 0.00 N ATOM 0 H ASN A 24 80.315 -9.970 -3.384 1.00 0.00 H new ATOM 0 HA ASN A 24 81.574 -11.349 -1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.060 -8.940 -2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.943 -9.160 -0.515 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.737 -11.398 -0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 24 85.132 -9.875 -0.166 1.00 0.00 H new ATOM 345 N LEU A 25 79.442 -10.162 -0.371 1.00 0.00 N ATOM 346 CA LEU A 25 78.638 -10.155 0.884 1.00 0.00 C ATOM 347 C LEU A 25 78.360 -11.585 1.337 1.00 0.00 C ATOM 348 O LEU A 25 77.888 -12.409 0.579 1.00 0.00 O ATOM 349 CB LEU A 25 77.334 -9.444 0.518 1.00 0.00 C ATOM 350 CG LEU A 25 77.581 -7.938 0.412 1.00 0.00 C ATOM 351 CD1 LEU A 25 78.198 -7.427 1.716 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.539 -7.661 -0.748 1.00 0.00 C ATOM 0 H LEU A 25 78.905 -10.046 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 25 79.155 -9.656 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.953 -9.827 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.574 -9.646 1.273 1.00 0.00 H new ATOM 0 HG LEU A 25 76.635 -7.426 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.374 -6.354 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.516 -7.625 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.144 -7.938 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.716 -6.588 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.484 -8.173 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.100 -8.024 -1.677 1.00 0.00 H new ATOM 364 N ASN A 26 78.648 -11.879 2.573 1.00 0.00 N ATOM 365 CA ASN A 26 78.405 -13.251 3.099 1.00 0.00 C ATOM 366 C ASN A 26 77.079 -13.800 2.564 1.00 0.00 C ATOM 367 O ASN A 26 76.022 -13.466 3.061 1.00 0.00 O ATOM 368 CB ASN A 26 78.343 -13.067 4.613 1.00 0.00 C ATOM 369 CG ASN A 26 78.496 -14.422 5.304 1.00 0.00 C ATOM 370 OD1 ASN A 26 77.974 -15.417 4.840 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.196 -14.505 6.402 1.00 0.00 N ATOM 0 H ASN A 26 79.044 -11.223 3.247 1.00 0.00 H new ATOM 0 HA ASN A 26 79.176 -13.960 2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.133 -12.390 4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.395 -12.609 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.305 -15.404 6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 26 79.634 -13.670 6.792 1.00 0.00 H new ATOM 378 N PRO A 27 77.186 -14.628 1.560 1.00 0.00 N ATOM 379 CA PRO A 27 75.983 -15.235 0.940 1.00 0.00 C ATOM 380 C PRO A 27 75.401 -16.320 1.851 1.00 0.00 C ATOM 381 O PRO A 27 74.269 -16.733 1.694 1.00 0.00 O ATOM 382 CB PRO A 27 76.519 -15.843 -0.354 1.00 0.00 C ATOM 383 CG PRO A 27 77.972 -16.091 -0.096 1.00 0.00 C ATOM 384 CD PRO A 27 78.427 -15.069 0.915 1.00 0.00 C ATOM 0 HA PRO A 27 75.179 -14.518 0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.999 -16.769 -0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.378 -15.165 -1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.129 -17.101 0.281 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.547 -16.002 -1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.119 -15.503 1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.945 -14.238 0.436 1.00 0.00 H new ATOM 392 N ASN A 28 76.165 -16.784 2.801 1.00 0.00 N ATOM 393 CA ASN A 28 75.653 -17.841 3.720 1.00 0.00 C ATOM 394 C ASN A 28 74.849 -17.205 4.855 1.00 0.00 C ATOM 395 O ASN A 28 74.138 -17.874 5.578 1.00 0.00 O ATOM 396 CB ASN A 28 76.902 -18.533 4.267 1.00 0.00 C ATOM 397 CG ASN A 28 77.700 -19.138 3.111 1.00 0.00 C ATOM 398 OD1 ASN A 28 77.138 -19.516 2.102 1.00 0.00 O ATOM 399 ND2 ASN A 28 78.996 -19.247 3.215 1.00 0.00 N ATOM 0 H ASN A 28 77.121 -16.478 2.981 1.00 0.00 H new ATOM 0 HA ASN A 28 74.990 -18.543 3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.518 -17.817 4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.618 -19.313 4.974 1.00 0.00 H new ATOM 0 HD21 ASN A 28 79.537 -19.649 2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 28 79.468 -18.930 4.062 1.00 0.00 H new ATOM 406 N LYS A 29 74.954 -15.915 5.013 1.00 0.00 N ATOM 407 CA LYS A 29 74.197 -15.230 6.097 1.00 0.00 C ATOM 408 C LYS A 29 73.112 -14.337 5.491 1.00 0.00 C ATOM 409 O LYS A 29 72.673 -14.548 4.378 1.00 0.00 O ATOM 410 CB LYS A 29 75.241 -14.393 6.836 1.00 0.00 C ATOM 411 CG LYS A 29 75.470 -14.984 8.228 1.00 0.00 C ATOM 412 CD LYS A 29 75.948 -13.887 9.179 1.00 0.00 C ATOM 413 CE LYS A 29 75.399 -14.152 10.582 1.00 0.00 C ATOM 414 NZ LYS A 29 76.603 -14.280 11.448 1.00 0.00 N ATOM 0 H LYS A 29 75.533 -15.304 4.437 1.00 0.00 H new ATOM 0 HA LYS A 29 73.694 -15.930 6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.176 -14.380 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 29 74.904 -13.360 6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 29 74.547 -15.427 8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.210 -15.783 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 29 77.037 -13.861 9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.613 -12.912 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.758 -13.336 10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 29 74.797 -15.061 10.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 76.308 -14.463 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.191 -15.069 11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.153 -13.398 11.411 1.00 0.00 H new ATOM 428 N SER A 30 72.676 -13.344 6.212 1.00 0.00 N ATOM 429 CA SER A 30 71.619 -12.444 5.671 1.00 0.00 C ATOM 430 C SER A 30 72.223 -11.112 5.231 1.00 0.00 C ATOM 431 O SER A 30 73.225 -10.664 5.757 1.00 0.00 O ATOM 432 CB SER A 30 70.653 -12.219 6.829 1.00 0.00 C ATOM 433 OG SER A 30 70.363 -13.464 7.451 1.00 0.00 O ATOM 0 H SER A 30 73.004 -13.116 7.150 1.00 0.00 H new ATOM 0 HA SER A 30 71.127 -12.878 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.090 -11.531 7.553 1.00 0.00 H new ATOM 0 HB3 SER A 30 69.734 -11.758 6.466 1.00 0.00 H new ATOM 0 HG SER A 30 69.743 -13.321 8.197 1.00 0.00 H new ATOM 439 N VAL A 31 71.616 -10.468 4.277 1.00 0.00 N ATOM 440 CA VAL A 31 72.154 -9.161 3.816 1.00 0.00 C ATOM 441 C VAL A 31 71.968 -8.117 4.917 1.00 0.00 C ATOM 442 O VAL A 31 72.733 -7.180 5.035 1.00 0.00 O ATOM 443 CB VAL A 31 71.342 -8.795 2.574 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.089 -7.727 1.776 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.149 -10.038 1.699 1.00 0.00 C ATOM 0 H VAL A 31 70.774 -10.788 3.798 1.00 0.00 H new ATOM 0 HA VAL A 31 73.219 -9.206 3.588 1.00 0.00 H new ATOM 0 HB VAL A 31 70.368 -8.412 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.511 -7.465 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.227 -6.840 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.062 -8.113 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.570 -9.774 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.122 -10.423 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.618 -10.803 2.265 1.00 0.00 H new ATOM 455 N ALA A 32 70.966 -8.282 5.737 1.00 0.00 N ATOM 456 CA ALA A 32 70.743 -7.309 6.843 1.00 0.00 C ATOM 457 C ALA A 32 71.948 -7.332 7.782 1.00 0.00 C ATOM 458 O ALA A 32 72.444 -6.306 8.206 1.00 0.00 O ATOM 459 CB ALA A 32 69.486 -7.799 7.562 1.00 0.00 C ATOM 0 H ALA A 32 70.293 -9.047 5.689 1.00 0.00 H new ATOM 0 HA ALA A 32 70.623 -6.285 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.258 -7.130 8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.649 -7.810 6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.654 -8.806 7.943 1.00 0.00 H new ATOM 465 N GLU A 33 72.430 -8.502 8.095 1.00 0.00 N ATOM 466 CA GLU A 33 73.615 -8.606 8.990 1.00 0.00 C ATOM 467 C GLU A 33 74.850 -8.087 8.254 1.00 0.00 C ATOM 468 O GLU A 33 75.755 -7.535 8.849 1.00 0.00 O ATOM 469 CB GLU A 33 73.756 -10.099 9.293 1.00 0.00 C ATOM 470 CG GLU A 33 72.485 -10.604 9.979 1.00 0.00 C ATOM 471 CD GLU A 33 72.376 -9.985 11.374 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.378 -9.954 12.067 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.289 -9.553 11.725 1.00 0.00 O ATOM 0 H GLU A 33 72.054 -9.392 7.769 1.00 0.00 H new ATOM 0 HA GLU A 33 73.507 -8.021 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.929 -10.653 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.621 -10.271 9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.610 -10.342 9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.507 -11.691 10.053 1.00 0.00 H new ATOM 480 N LEU A 34 74.885 -8.244 6.958 1.00 0.00 N ATOM 481 CA LEU A 34 76.050 -7.746 6.181 1.00 0.00 C ATOM 482 C LEU A 34 76.059 -6.219 6.216 1.00 0.00 C ATOM 483 O LEU A 34 77.099 -5.590 6.242 1.00 0.00 O ATOM 484 CB LEU A 34 75.819 -8.255 4.759 1.00 0.00 C ATOM 485 CG LEU A 34 76.509 -9.609 4.584 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.891 -10.349 3.396 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.001 -9.388 4.327 1.00 0.00 C ATOM 0 H LEU A 34 74.156 -8.696 6.406 1.00 0.00 H new ATOM 0 HA LEU A 34 77.006 -8.087 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.751 -8.351 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.211 -7.539 4.037 1.00 0.00 H new ATOM 0 HG LEU A 34 76.378 -10.204 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.383 -11.314 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.828 -10.505 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.021 -9.756 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.495 -10.351 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.130 -8.794 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.442 -8.861 5.173 1.00 0.00 H new ATOM 499 N LYS A 35 74.901 -5.623 6.235 1.00 0.00 N ATOM 500 CA LYS A 35 74.826 -4.137 6.287 1.00 0.00 C ATOM 501 C LYS A 35 75.382 -3.646 7.624 1.00 0.00 C ATOM 502 O LYS A 35 76.254 -2.803 7.677 1.00 0.00 O ATOM 503 CB LYS A 35 73.338 -3.809 6.170 1.00 0.00 C ATOM 504 CG LYS A 35 73.014 -3.399 4.733 1.00 0.00 C ATOM 505 CD LYS A 35 71.552 -3.727 4.423 1.00 0.00 C ATOM 506 CE LYS A 35 71.487 -4.779 3.314 1.00 0.00 C ATOM 507 NZ LYS A 35 70.130 -5.378 3.430 1.00 0.00 N ATOM 0 H LYS A 35 74.001 -6.102 6.217 1.00 0.00 H new ATOM 0 HA LYS A 35 75.405 -3.658 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.741 -4.675 6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.078 -3.003 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 35 73.194 -2.332 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.670 -3.923 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.054 -4.097 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 35 71.024 -2.825 4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 35 71.637 -4.328 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 35 72.263 -5.534 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 70.184 -6.400 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 69.762 -5.221 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 69.494 -4.932 2.739 1.00 0.00 H new ATOM 521 N VAL A 36 74.888 -4.186 8.704 1.00 0.00 N ATOM 522 CA VAL A 36 75.387 -3.773 10.046 1.00 0.00 C ATOM 523 C VAL A 36 76.891 -3.984 10.131 1.00 0.00 C ATOM 524 O VAL A 36 77.596 -3.178 10.683 1.00 0.00 O ATOM 525 CB VAL A 36 74.674 -4.695 11.025 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.919 -4.212 12.456 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.172 -4.691 10.732 1.00 0.00 C ATOM 0 H VAL A 36 74.158 -4.898 8.715 1.00 0.00 H new ATOM 0 HA VAL A 36 75.196 -2.720 10.254 1.00 0.00 H new ATOM 0 HB VAL A 36 75.061 -5.708 10.915 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.408 -4.873 13.156 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.989 -4.220 12.665 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.535 -3.198 12.569 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.663 -5.352 11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.783 -3.678 10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.999 -5.040 9.714 1.00 0.00 H new ATOM 537 N ALA A 37 77.393 -5.055 9.587 1.00 0.00 N ATOM 538 CA ALA A 37 78.860 -5.282 9.650 1.00 0.00 C ATOM 539 C ALA A 37 79.570 -4.152 8.915 1.00 0.00 C ATOM 540 O ALA A 37 80.636 -3.717 9.302 1.00 0.00 O ATOM 541 CB ALA A 37 79.097 -6.623 8.955 1.00 0.00 C ATOM 0 H ALA A 37 76.856 -5.777 9.106 1.00 0.00 H new ATOM 0 HA ALA A 37 79.242 -5.300 10.671 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.162 -6.855 8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.551 -7.406 9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.748 -6.565 7.924 1.00 0.00 H new ATOM 547 N ILE A 38 78.975 -3.660 7.868 1.00 0.00 N ATOM 548 CA ILE A 38 79.603 -2.542 7.120 1.00 0.00 C ATOM 549 C ILE A 38 79.280 -1.222 7.821 1.00 0.00 C ATOM 550 O ILE A 38 80.037 -0.270 7.760 1.00 0.00 O ATOM 551 CB ILE A 38 78.971 -2.583 5.730 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.553 -3.756 4.937 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.271 -1.275 4.994 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.487 -4.311 3.992 1.00 0.00 C ATOM 0 H ILE A 38 78.081 -3.984 7.498 1.00 0.00 H new ATOM 0 HA ILE A 38 80.688 -2.628 7.066 1.00 0.00 H new ATOM 0 HB ILE A 38 77.893 -2.708 5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.423 -3.428 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.893 -4.536 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 38 78.820 -1.304 4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 38 78.857 -0.438 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.350 -1.150 4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 38 78.901 -5.146 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.630 -4.654 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.169 -3.529 3.303 1.00 0.00 H new ATOM 566 N SER A 39 78.165 -1.161 8.501 1.00 0.00 N ATOM 567 CA SER A 39 77.804 0.097 9.214 1.00 0.00 C ATOM 568 C SER A 39 78.591 0.183 10.520 1.00 0.00 C ATOM 569 O SER A 39 78.882 1.251 11.022 1.00 0.00 O ATOM 570 CB SER A 39 76.306 -0.019 9.494 1.00 0.00 C ATOM 571 OG SER A 39 76.039 0.431 10.814 1.00 0.00 O ATOM 0 H SER A 39 77.493 -1.923 8.593 1.00 0.00 H new ATOM 0 HA SER A 39 78.034 0.991 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.743 0.575 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.982 -1.053 9.377 1.00 0.00 H new ATOM 0 HG SER A 39 76.379 -0.224 11.458 1.00 0.00 H new ATOM 577 N GLU A 40 78.951 -0.945 11.061 1.00 0.00 N ATOM 578 CA GLU A 40 79.729 -0.951 12.324 1.00 0.00 C ATOM 579 C GLU A 40 81.207 -0.769 12.003 1.00 0.00 C ATOM 580 O GLU A 40 81.927 -0.077 12.696 1.00 0.00 O ATOM 581 CB GLU A 40 79.464 -2.322 12.929 1.00 0.00 C ATOM 582 CG GLU A 40 78.707 -2.164 14.248 1.00 0.00 C ATOM 583 CD GLU A 40 77.401 -1.409 13.998 1.00 0.00 C ATOM 584 OE1 GLU A 40 77.195 -0.974 12.877 1.00 0.00 O ATOM 585 OE2 GLU A 40 76.628 -1.276 14.933 1.00 0.00 O ATOM 0 H GLU A 40 78.738 -1.867 10.679 1.00 0.00 H new ATOM 0 HA GLU A 40 79.449 -0.150 13.009 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.883 -2.930 12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.406 -2.844 13.099 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.497 -3.143 14.679 1.00 0.00 H new ATOM 0 HG3 GLU A 40 79.320 -1.623 14.969 1.00 0.00 H new ATOM 592 N LEU A 41 81.655 -1.369 10.940 1.00 0.00 N ATOM 593 CA LEU A 41 83.081 -1.216 10.551 1.00 0.00 C ATOM 594 C LEU A 41 83.330 0.239 10.170 1.00 0.00 C ATOM 595 O LEU A 41 84.384 0.788 10.421 1.00 0.00 O ATOM 596 CB LEU A 41 83.273 -2.134 9.343 1.00 0.00 C ATOM 597 CG LEU A 41 84.698 -2.689 9.347 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.685 -4.134 8.844 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.577 -1.839 8.427 1.00 0.00 C ATOM 0 H LEU A 41 81.096 -1.959 10.323 1.00 0.00 H new ATOM 0 HA LEU A 41 83.772 -1.475 11.353 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.553 -2.951 9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.088 -1.583 8.421 1.00 0.00 H new ATOM 0 HG LEU A 41 85.096 -2.661 10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.701 -4.529 8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.057 -4.741 9.497 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.287 -4.163 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.593 -2.233 8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 41 85.178 -1.869 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.587 -0.809 8.783 1.00 0.00 H new ATOM 611 N PHE A 42 82.354 0.872 9.581 1.00 0.00 N ATOM 612 CA PHE A 42 82.514 2.293 9.203 1.00 0.00 C ATOM 613 C PHE A 42 82.167 3.171 10.404 1.00 0.00 C ATOM 614 O PHE A 42 82.563 4.316 10.488 1.00 0.00 O ATOM 615 CB PHE A 42 81.514 2.498 8.072 1.00 0.00 C ATOM 616 CG PHE A 42 82.101 1.982 6.780 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.505 0.646 6.681 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.243 2.840 5.683 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.049 0.166 5.484 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.789 2.360 4.486 1.00 0.00 C ATOM 621 CZ PHE A 42 83.191 1.024 4.387 1.00 0.00 C ATOM 0 H PHE A 42 81.451 0.460 9.347 1.00 0.00 H new ATOM 0 HA PHE A 42 83.528 2.550 8.897 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.584 1.975 8.296 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.270 3.556 7.976 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.397 -0.015 7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.932 3.871 5.760 1.00 0.00 H new ATOM 0 HE1 PHE A 42 83.359 -0.866 5.407 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.900 3.021 3.639 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.611 0.654 3.463 1.00 0.00 H new ATOM 631 N ALA A 43 81.434 2.630 11.341 1.00 0.00 N ATOM 632 CA ALA A 43 81.067 3.422 12.548 1.00 0.00 C ATOM 633 C ALA A 43 82.252 3.457 13.514 1.00 0.00 C ATOM 634 O ALA A 43 82.476 4.430 14.206 1.00 0.00 O ATOM 635 CB ALA A 43 79.885 2.676 13.170 1.00 0.00 C ATOM 0 H ALA A 43 81.075 1.676 11.322 1.00 0.00 H new ATOM 0 HA ALA A 43 80.809 4.454 12.312 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.556 3.200 14.068 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.064 2.633 12.454 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.191 1.663 13.432 1.00 0.00 H new ATOM 641 N LYS A 44 83.019 2.402 13.553 1.00 0.00 N ATOM 642 CA LYS A 44 84.200 2.367 14.460 1.00 0.00 C ATOM 643 C LYS A 44 85.406 2.989 13.756 1.00 0.00 C ATOM 644 O LYS A 44 86.336 3.455 14.384 1.00 0.00 O ATOM 645 CB LYS A 44 84.444 0.884 14.738 1.00 0.00 C ATOM 646 CG LYS A 44 84.338 0.622 16.242 1.00 0.00 C ATOM 647 CD LYS A 44 82.898 0.248 16.595 1.00 0.00 C ATOM 648 CE LYS A 44 82.694 -1.254 16.389 1.00 0.00 C ATOM 649 NZ LYS A 44 83.434 -1.899 17.510 1.00 0.00 N ATOM 0 H LYS A 44 82.878 1.561 12.994 1.00 0.00 H new ATOM 0 HA LYS A 44 84.038 2.927 15.381 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.715 0.278 14.200 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.430 0.593 14.376 1.00 0.00 H new ATOM 0 HG2 LYS A 44 85.015 -0.182 16.530 1.00 0.00 H new ATOM 0 HG3 LYS A 44 84.641 1.509 16.799 1.00 0.00 H new ATOM 0 HD2 LYS A 44 82.685 0.516 17.630 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.202 0.809 15.971 1.00 0.00 H new ATOM 0 HE2 LYS A 44 81.636 -1.516 16.412 1.00 0.00 H new ATOM 0 HE3 LYS A 44 83.082 -1.576 15.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 82.944 -2.771 17.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 84.400 -2.129 17.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 83.475 -1.247 18.319 1.00 0.00 H new ATOM 663 N ASN A 45 85.394 3.001 12.450 1.00 0.00 N ATOM 664 CA ASN A 45 86.533 3.594 11.698 1.00 0.00 C ATOM 665 C ASN A 45 86.352 5.109 11.588 1.00 0.00 C ATOM 666 O ASN A 45 87.296 5.828 11.335 1.00 0.00 O ATOM 667 CB ASN A 45 86.474 2.942 10.317 1.00 0.00 C ATOM 668 CG ASN A 45 87.480 1.792 10.253 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.171 1.628 9.268 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.592 0.982 11.271 1.00 0.00 N ATOM 0 H ASN A 45 84.642 2.625 11.872 1.00 0.00 H new ATOM 0 HA ASN A 45 87.492 3.422 12.187 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.468 2.571 10.121 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.698 3.679 9.545 1.00 0.00 H new ATOM 0 HD21 ASN A 45 88.260 0.212 11.239 1.00 0.00 H new ATOM 0 HD22 ASN A 45 87.012 1.120 12.098 1.00 0.00 H new ATOM 677 N ASP A 46 85.132 5.578 11.755 1.00 0.00 N ATOM 678 CA ASP A 46 84.808 7.033 11.658 1.00 0.00 C ATOM 679 C ASP A 46 84.468 7.350 10.217 1.00 0.00 C ATOM 680 O ASP A 46 84.652 8.450 9.734 1.00 0.00 O ATOM 681 CB ASP A 46 86.029 7.819 12.126 1.00 0.00 C ATOM 682 CG ASP A 46 86.585 7.204 13.412 1.00 0.00 C ATOM 683 OD1 ASP A 46 85.828 7.080 14.361 1.00 0.00 O ATOM 684 OD2 ASP A 46 87.758 6.869 13.427 1.00 0.00 O ATOM 0 H ASP A 46 84.326 4.987 11.961 1.00 0.00 H new ATOM 0 HA ASP A 46 83.955 7.301 12.282 1.00 0.00 H new ATOM 0 HB2 ASP A 46 86.794 7.814 11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 46 85.757 8.860 12.299 1.00 0.00 H new ATOM 689 N LEU A 47 83.956 6.373 9.538 1.00 0.00 N ATOM 690 CA LEU A 47 83.570 6.559 8.124 1.00 0.00 C ATOM 691 C LEU A 47 82.260 7.352 8.071 1.00 0.00 C ATOM 692 O LEU A 47 82.033 8.236 8.873 1.00 0.00 O ATOM 693 CB LEU A 47 83.410 5.126 7.598 1.00 0.00 C ATOM 694 CG LEU A 47 84.461 4.862 6.519 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.303 5.879 5.391 1.00 0.00 C ATOM 696 CD2 LEU A 47 85.857 4.997 7.131 1.00 0.00 C ATOM 0 H LEU A 47 83.786 5.438 9.910 1.00 0.00 H new ATOM 0 HA LEU A 47 84.290 7.118 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.523 4.412 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.409 4.986 7.189 1.00 0.00 H new ATOM 0 HG LEU A 47 84.329 3.856 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 47 85.053 5.690 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 47 83.307 5.789 4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.436 6.886 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 47 86.610 4.810 6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.985 6.005 7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 47 85.972 4.273 7.938 1.00 0.00 H new ATOM 708 N ALA A 48 81.401 7.050 7.149 1.00 0.00 N ATOM 709 CA ALA A 48 80.113 7.795 7.065 1.00 0.00 C ATOM 710 C ALA A 48 79.122 7.040 6.182 1.00 0.00 C ATOM 711 O ALA A 48 78.658 7.540 5.176 1.00 0.00 O ATOM 712 CB ALA A 48 80.468 9.147 6.449 1.00 0.00 C ATOM 0 H ALA A 48 81.530 6.321 6.447 1.00 0.00 H new ATOM 0 HA ALA A 48 79.641 7.910 8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.566 9.752 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 48 81.186 9.661 7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.906 8.994 5.463 1.00 0.00 H new ATOM 718 N VAL A 49 78.794 5.840 6.559 1.00 0.00 N ATOM 719 CA VAL A 49 77.837 5.041 5.768 1.00 0.00 C ATOM 720 C VAL A 49 76.456 5.683 5.824 1.00 0.00 C ATOM 721 O VAL A 49 75.845 5.797 6.869 1.00 0.00 O ATOM 722 CB VAL A 49 77.828 3.674 6.439 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.171 2.981 6.208 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.594 3.846 7.943 1.00 0.00 C ATOM 0 H VAL A 49 79.155 5.377 7.393 1.00 0.00 H new ATOM 0 HA VAL A 49 78.111 4.974 4.715 1.00 0.00 H new ATOM 0 HB VAL A 49 77.029 3.066 6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.163 2.003 6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.338 2.858 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.971 3.587 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.587 2.868 8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.392 4.454 8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.636 4.338 8.108 1.00 0.00 H new ATOM 734 N VAL A 50 75.974 6.109 4.702 1.00 0.00 N ATOM 735 CA VAL A 50 74.633 6.763 4.653 1.00 0.00 C ATOM 736 C VAL A 50 73.578 5.757 4.189 1.00 0.00 C ATOM 737 O VAL A 50 72.467 5.740 4.678 1.00 0.00 O ATOM 738 CB VAL A 50 74.767 7.909 3.640 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.786 9.024 4.000 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.190 8.475 3.667 1.00 0.00 C ATOM 0 H VAL A 50 76.450 6.035 3.803 1.00 0.00 H new ATOM 0 HA VAL A 50 74.322 7.130 5.631 1.00 0.00 H new ATOM 0 HB VAL A 50 74.549 7.524 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.881 9.838 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.768 8.635 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.009 9.396 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.272 9.287 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.412 8.853 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.899 7.688 3.411 1.00 0.00 H new ATOM 750 N ASP A 51 73.917 4.916 3.250 1.00 0.00 N ATOM 751 CA ASP A 51 72.926 3.913 2.762 1.00 0.00 C ATOM 752 C ASP A 51 73.621 2.588 2.439 1.00 0.00 C ATOM 753 O ASP A 51 74.795 2.548 2.139 1.00 0.00 O ATOM 754 CB ASP A 51 72.327 4.526 1.498 1.00 0.00 C ATOM 755 CG ASP A 51 70.913 3.983 1.288 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.371 3.421 2.224 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.396 4.138 0.194 1.00 0.00 O ATOM 0 H ASP A 51 74.832 4.879 2.801 1.00 0.00 H new ATOM 0 HA ASP A 51 72.163 3.695 3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.302 5.612 1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.951 4.290 0.636 1.00 0.00 H new ATOM 762 N VAL A 52 72.899 1.505 2.498 1.00 0.00 N ATOM 763 CA VAL A 52 73.501 0.176 2.195 1.00 0.00 C ATOM 764 C VAL A 52 72.411 -0.790 1.722 1.00 0.00 C ATOM 765 O VAL A 52 71.605 -1.261 2.502 1.00 0.00 O ATOM 766 CB VAL A 52 74.099 -0.305 3.519 1.00 0.00 C ATOM 767 CG1 VAL A 52 74.932 -1.564 3.276 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.993 0.788 4.109 1.00 0.00 C ATOM 0 H VAL A 52 71.910 1.483 2.745 1.00 0.00 H new ATOM 0 HA VAL A 52 74.253 0.231 1.408 1.00 0.00 H new ATOM 0 HB VAL A 52 73.292 -0.529 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.358 -1.906 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.297 -2.346 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.736 -1.339 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.417 0.442 5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 52 75.798 1.016 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 52 74.401 1.686 4.285 1.00 0.00 H new ATOM 778 N ARG A 53 72.370 -1.085 0.451 1.00 0.00 N ATOM 779 CA ARG A 53 71.322 -2.015 -0.062 1.00 0.00 C ATOM 780 C ARG A 53 71.950 -3.336 -0.507 1.00 0.00 C ATOM 781 O ARG A 53 73.153 -3.457 -0.627 1.00 0.00 O ATOM 782 CB ARG A 53 70.699 -1.294 -1.256 1.00 0.00 C ATOM 783 CG ARG A 53 69.181 -1.227 -1.078 1.00 0.00 C ATOM 784 CD ARG A 53 68.526 -0.877 -2.417 1.00 0.00 C ATOM 785 NE ARG A 53 68.612 -2.125 -3.225 1.00 0.00 N ATOM 786 CZ ARG A 53 67.825 -2.292 -4.252 1.00 0.00 C ATOM 787 NH1 ARG A 53 66.556 -2.534 -4.068 1.00 0.00 N ATOM 788 NH2 ARG A 53 68.306 -2.218 -5.462 1.00 0.00 N ATOM 0 H ARG A 53 73.014 -0.724 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 53 70.583 -2.257 0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.110 -0.288 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.945 -1.819 -2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 53 68.804 -2.183 -0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 53 68.925 -0.478 -0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.490 -0.566 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.045 -0.053 -2.907 1.00 0.00 H new ATOM 0 HE ARG A 53 69.286 -2.849 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 53 66.180 -2.592 -3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 53 65.940 -2.665 -4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 53 69.298 -2.029 -5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 53 67.690 -2.349 -6.265 1.00 0.00 H new ATOM 802 N THR A 54 71.140 -4.329 -0.751 1.00 0.00 N ATOM 803 CA THR A 54 71.673 -5.643 -1.185 1.00 0.00 C ATOM 804 C THR A 54 71.976 -5.622 -2.685 1.00 0.00 C ATOM 805 O THR A 54 71.468 -4.799 -3.420 1.00 0.00 O ATOM 806 CB THR A 54 70.545 -6.628 -0.879 1.00 0.00 C ATOM 807 OG1 THR A 54 69.516 -6.483 -1.847 1.00 0.00 O ATOM 808 CG2 THR A 54 69.979 -6.350 0.516 1.00 0.00 C ATOM 0 H THR A 54 70.125 -4.282 -0.667 1.00 0.00 H new ATOM 0 HA THR A 54 72.603 -5.907 -0.681 1.00 0.00 H new ATOM 0 HB THR A 54 70.935 -7.645 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.793 -7.115 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.175 -7.055 0.730 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.769 -6.464 1.259 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.589 -5.333 0.555 1.00 0.00 H new ATOM 816 N GLY A 55 72.800 -6.522 -3.143 1.00 0.00 N ATOM 817 CA GLY A 55 73.137 -6.558 -4.593 1.00 0.00 C ATOM 818 C GLY A 55 72.980 -7.989 -5.110 1.00 0.00 C ATOM 819 O GLY A 55 73.627 -8.901 -4.640 1.00 0.00 O ATOM 0 H GLY A 55 73.256 -7.236 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.483 -5.884 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.159 -6.212 -4.750 1.00 0.00 H new ATOM 823 N THR A 56 72.121 -8.193 -6.072 1.00 0.00 N ATOM 824 CA THR A 56 71.917 -9.568 -6.618 1.00 0.00 C ATOM 825 C THR A 56 71.197 -10.445 -5.584 1.00 0.00 C ATOM 826 O THR A 56 70.666 -9.959 -4.605 1.00 0.00 O ATOM 827 CB THR A 56 73.338 -10.083 -6.939 1.00 0.00 C ATOM 828 OG1 THR A 56 73.344 -10.639 -8.246 1.00 0.00 O ATOM 829 CG2 THR A 56 73.792 -11.154 -5.936 1.00 0.00 C ATOM 0 H THR A 56 71.550 -7.467 -6.505 1.00 0.00 H new ATOM 0 HA THR A 56 71.288 -9.585 -7.508 1.00 0.00 H new ATOM 0 HB THR A 56 74.028 -9.242 -6.873 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.243 -10.967 -8.458 1.00 0.00 H new ATOM 0 HG21 THR A 56 74.796 -11.492 -6.194 1.00 0.00 H new ATOM 0 HG22 THR A 56 73.798 -10.732 -4.931 1.00 0.00 H new ATOM 0 HG23 THR A 56 73.105 -11.999 -5.970 1.00 0.00 H new ATOM 837 N ASN A 57 71.177 -11.733 -5.795 1.00 0.00 N ATOM 838 CA ASN A 57 70.492 -12.638 -4.828 1.00 0.00 C ATOM 839 C ASN A 57 70.820 -12.230 -3.388 1.00 0.00 C ATOM 840 O ASN A 57 70.017 -11.624 -2.707 1.00 0.00 O ATOM 841 CB ASN A 57 71.045 -14.031 -5.131 1.00 0.00 C ATOM 842 CG ASN A 57 70.403 -15.052 -4.188 1.00 0.00 C ATOM 843 OD1 ASN A 57 70.232 -14.788 -3.014 1.00 0.00 O ATOM 844 ND2 ASN A 57 70.036 -16.213 -4.656 1.00 0.00 N ATOM 0 H ASN A 57 71.605 -12.198 -6.595 1.00 0.00 H new ATOM 0 HA ASN A 57 69.407 -12.598 -4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.839 -14.298 -6.168 1.00 0.00 H new ATOM 0 HB3 ASN A 57 72.128 -14.038 -5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 57 69.605 -16.900 -4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 57 70.180 -16.434 -5.641 1.00 0.00 H new ATOM 851 N ARG A 58 71.994 -12.557 -2.919 1.00 0.00 N ATOM 852 CA ARG A 58 72.368 -12.187 -1.523 1.00 0.00 C ATOM 853 C ARG A 58 73.886 -12.271 -1.342 1.00 0.00 C ATOM 854 O ARG A 58 74.382 -12.512 -0.259 1.00 0.00 O ATOM 855 CB ARG A 58 71.660 -13.216 -0.640 1.00 0.00 C ATOM 856 CG ARG A 58 72.110 -13.045 0.811 1.00 0.00 C ATOM 857 CD ARG A 58 70.902 -13.181 1.741 1.00 0.00 C ATOM 858 NE ARG A 58 70.484 -14.606 1.622 1.00 0.00 N ATOM 859 CZ ARG A 58 69.357 -15.002 2.145 1.00 0.00 C ATOM 860 NH1 ARG A 58 68.972 -14.531 3.299 1.00 0.00 N ATOM 861 NH2 ARG A 58 68.613 -15.868 1.513 1.00 0.00 N ATOM 0 H ARG A 58 72.709 -13.063 -3.441 1.00 0.00 H new ATOM 0 HA ARG A 58 72.077 -11.167 -1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 58 70.580 -13.091 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 58 71.888 -14.224 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 58 72.860 -13.795 1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.577 -12.069 0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 58 71.165 -12.931 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.098 -12.507 1.445 1.00 0.00 H new ATOM 0 HE ARG A 58 71.080 -15.272 1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 58 69.553 -13.853 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 58 68.090 -14.841 3.708 1.00 0.00 H new ATOM 0 HH21 ARG A 58 68.913 -16.235 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 58 67.731 -16.178 1.922 1.00 0.00 H new ATOM 875 N LYS A 59 74.627 -12.067 -2.396 1.00 0.00 N ATOM 876 CA LYS A 59 76.114 -12.131 -2.285 1.00 0.00 C ATOM 877 C LYS A 59 76.720 -10.764 -2.618 1.00 0.00 C ATOM 878 O LYS A 59 77.908 -10.551 -2.483 1.00 0.00 O ATOM 879 CB LYS A 59 76.541 -13.179 -3.316 1.00 0.00 C ATOM 880 CG LYS A 59 78.036 -13.037 -3.608 1.00 0.00 C ATOM 881 CD LYS A 59 78.837 -13.329 -2.338 1.00 0.00 C ATOM 882 CE LYS A 59 80.334 -13.230 -2.645 1.00 0.00 C ATOM 883 NZ LYS A 59 80.635 -14.424 -3.482 1.00 0.00 N ATOM 0 H LYS A 59 74.269 -11.859 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 59 76.449 -12.392 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.328 -14.180 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.968 -13.054 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.329 -13.725 -4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.253 -12.030 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.568 -12.621 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.596 -14.324 -1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.568 -12.307 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.926 -13.230 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.637 -14.681 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.038 -15.220 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.440 -14.206 -4.480 1.00 0.00 H new ATOM 897 N PHE A 60 75.909 -9.838 -3.052 1.00 0.00 N ATOM 898 CA PHE A 60 76.431 -8.484 -3.395 1.00 0.00 C ATOM 899 C PHE A 60 75.715 -7.419 -2.554 1.00 0.00 C ATOM 900 O PHE A 60 74.955 -7.734 -1.660 1.00 0.00 O ATOM 901 CB PHE A 60 76.114 -8.313 -4.880 1.00 0.00 C ATOM 902 CG PHE A 60 77.309 -7.745 -5.601 1.00 0.00 C ATOM 903 CD1 PHE A 60 78.333 -8.591 -6.038 1.00 0.00 C ATOM 904 CD2 PHE A 60 77.388 -6.369 -5.841 1.00 0.00 C ATOM 905 CE1 PHE A 60 79.437 -8.061 -6.715 1.00 0.00 C ATOM 906 CE2 PHE A 60 78.491 -5.837 -6.515 1.00 0.00 C ATOM 907 CZ PHE A 60 79.516 -6.683 -6.954 1.00 0.00 C ATOM 0 H PHE A 60 74.905 -9.961 -3.184 1.00 0.00 H new ATOM 0 HA PHE A 60 77.497 -8.378 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.840 -9.274 -5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 60 75.257 -7.651 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.272 -9.653 -5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 60 76.595 -5.717 -5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 60 80.228 -8.714 -7.053 1.00 0.00 H new ATOM 0 HE2 PHE A 60 78.552 -4.774 -6.697 1.00 0.00 H new ATOM 0 HZ PHE A 60 80.368 -6.273 -7.477 1.00 0.00 H new ATOM 917 N GLY A 61 75.952 -6.164 -2.827 1.00 0.00 N ATOM 918 CA GLY A 61 75.278 -5.095 -2.030 1.00 0.00 C ATOM 919 C GLY A 61 75.798 -3.711 -2.433 1.00 0.00 C ATOM 920 O GLY A 61 76.952 -3.540 -2.769 1.00 0.00 O ATOM 0 H GLY A 61 76.578 -5.833 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.200 -5.144 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.455 -5.260 -0.967 1.00 0.00 H new ATOM 924 N TYR A 62 74.945 -2.720 -2.385 1.00 0.00 N ATOM 925 CA TYR A 62 75.367 -1.332 -2.747 1.00 0.00 C ATOM 926 C TYR A 62 75.443 -0.480 -1.488 1.00 0.00 C ATOM 927 O TYR A 62 74.863 -0.806 -0.471 1.00 0.00 O ATOM 928 CB TYR A 62 74.278 -0.822 -3.691 1.00 0.00 C ATOM 929 CG TYR A 62 74.702 0.494 -4.299 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.726 1.653 -3.514 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.068 0.555 -5.648 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.117 2.872 -4.078 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.458 1.774 -6.214 1.00 0.00 C ATOM 934 CZ TYR A 62 75.483 2.933 -5.429 1.00 0.00 C ATOM 935 OH TYR A 62 75.868 4.136 -5.986 1.00 0.00 O ATOM 0 H TYR A 62 73.968 -2.813 -2.109 1.00 0.00 H new ATOM 0 HA TYR A 62 76.350 -1.296 -3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.094 -1.554 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.342 -0.697 -3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.443 1.606 -2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.050 -0.339 -6.253 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.137 3.766 -3.472 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.739 1.821 -7.256 1.00 0.00 H new ATOM 0 HH TYR A 62 76.090 4.003 -6.931 1.00 0.00 H new ATOM 945 N VAL A 63 76.175 0.596 -1.531 1.00 0.00 N ATOM 946 CA VAL A 63 76.304 1.440 -0.317 1.00 0.00 C ATOM 947 C VAL A 63 76.569 2.898 -0.694 1.00 0.00 C ATOM 948 O VAL A 63 77.281 3.191 -1.634 1.00 0.00 O ATOM 949 CB VAL A 63 77.511 0.859 0.420 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.538 1.383 1.846 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.424 -0.669 0.453 1.00 0.00 C ATOM 0 H VAL A 63 76.686 0.925 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 63 75.396 1.435 0.287 1.00 0.00 H new ATOM 0 HB VAL A 63 78.419 1.158 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.399 0.968 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.611 2.470 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.623 1.087 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.289 -1.071 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.512 -0.970 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.409 -1.055 -0.566 1.00 0.00 H new ATOM 961 N ASP A 64 76.006 3.813 0.043 1.00 0.00 N ATOM 962 CA ASP A 64 76.226 5.255 -0.250 1.00 0.00 C ATOM 963 C ASP A 64 77.043 5.882 0.881 1.00 0.00 C ATOM 964 O ASP A 64 76.888 5.534 2.035 1.00 0.00 O ATOM 965 CB ASP A 64 74.829 5.866 -0.306 1.00 0.00 C ATOM 966 CG ASP A 64 73.959 5.079 -1.289 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.913 3.865 -1.172 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.352 5.704 -2.142 1.00 0.00 O ATOM 0 H ASP A 64 75.399 3.622 0.840 1.00 0.00 H new ATOM 0 HA ASP A 64 76.772 5.419 -1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.376 5.853 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.890 6.909 -0.615 1.00 0.00 H new ATOM 973 N PHE A 65 77.914 6.797 0.562 1.00 0.00 N ATOM 974 CA PHE A 65 78.745 7.433 1.623 1.00 0.00 C ATOM 975 C PHE A 65 78.292 8.870 1.879 1.00 0.00 C ATOM 976 O PHE A 65 77.386 9.368 1.243 1.00 0.00 O ATOM 977 CB PHE A 65 80.172 7.385 1.089 1.00 0.00 C ATOM 978 CG PHE A 65 80.703 5.983 1.269 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.534 5.329 2.496 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.354 5.335 0.213 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.016 4.027 2.667 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.837 4.031 0.386 1.00 0.00 C ATOM 983 CZ PHE A 65 81.668 3.378 1.613 1.00 0.00 C ATOM 0 H PHE A 65 78.087 7.132 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 65 78.657 6.918 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.192 7.666 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.800 8.099 1.621 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.031 5.830 3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.484 5.839 -0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 65 80.885 3.523 3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.340 3.529 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.041 2.373 1.746 1.00 0.00 H new ATOM 993 N GLU A 66 78.897 9.530 2.828 1.00 0.00 N ATOM 994 CA GLU A 66 78.478 10.925 3.148 1.00 0.00 C ATOM 995 C GLU A 66 79.611 11.921 2.894 1.00 0.00 C ATOM 996 O GLU A 66 79.541 13.064 3.298 1.00 0.00 O ATOM 997 CB GLU A 66 78.127 10.893 4.637 1.00 0.00 C ATOM 998 CG GLU A 66 76.624 11.104 4.819 1.00 0.00 C ATOM 999 CD GLU A 66 76.362 12.528 5.312 1.00 0.00 C ATOM 1000 OE1 GLU A 66 77.158 13.018 6.096 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.370 13.105 4.898 1.00 0.00 O ATOM 0 H GLU A 66 79.662 9.165 3.395 1.00 0.00 H new ATOM 0 HA GLU A 66 77.644 11.246 2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.425 9.938 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.679 11.669 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.106 10.934 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.229 10.382 5.534 1.00 0.00 H new ATOM 1008 N SER A 67 80.649 11.507 2.230 1.00 0.00 N ATOM 1009 CA SER A 67 81.772 12.458 1.964 1.00 0.00 C ATOM 1010 C SER A 67 82.819 11.862 1.036 1.00 0.00 C ATOM 1011 O SER A 67 82.799 10.693 0.701 1.00 0.00 O ATOM 1012 CB SER A 67 82.407 12.732 3.322 1.00 0.00 C ATOM 1013 OG SER A 67 82.548 11.509 4.033 1.00 0.00 O ATOM 0 H SER A 67 80.774 10.564 1.861 1.00 0.00 H new ATOM 0 HA SER A 67 81.396 13.358 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.381 13.204 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.789 13.427 3.891 1.00 0.00 H new ATOM 0 HG SER A 67 82.958 11.683 4.906 1.00 0.00 H new ATOM 1019 N ALA A 68 83.761 12.674 0.664 1.00 0.00 N ATOM 1020 CA ALA A 68 84.868 12.206 -0.202 1.00 0.00 C ATOM 1021 C ALA A 68 85.856 11.469 0.678 1.00 0.00 C ATOM 1022 O ALA A 68 86.615 10.628 0.240 1.00 0.00 O ATOM 1023 CB ALA A 68 85.501 13.485 -0.736 1.00 0.00 C ATOM 0 H ALA A 68 83.811 13.658 0.928 1.00 0.00 H new ATOM 0 HA ALA A 68 84.551 11.545 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.335 13.232 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.758 14.052 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.864 14.087 0.097 1.00 0.00 H new ATOM 1029 N GLU A 69 85.831 11.796 1.935 1.00 0.00 N ATOM 1030 CA GLU A 69 86.740 11.147 2.902 1.00 0.00 C ATOM 1031 C GLU A 69 86.125 9.825 3.356 1.00 0.00 C ATOM 1032 O GLU A 69 86.816 8.898 3.736 1.00 0.00 O ATOM 1033 CB GLU A 69 86.822 12.149 4.048 1.00 0.00 C ATOM 1034 CG GLU A 69 88.274 12.292 4.495 1.00 0.00 C ATOM 1035 CD GLU A 69 88.425 11.777 5.927 1.00 0.00 C ATOM 1036 OE1 GLU A 69 88.260 10.585 6.127 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.703 12.583 6.799 1.00 0.00 O ATOM 0 H GLU A 69 85.208 12.497 2.336 1.00 0.00 H new ATOM 0 HA GLU A 69 87.725 10.911 2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.432 13.115 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.205 11.815 4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.927 11.732 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.581 13.337 4.440 1.00 0.00 H new ATOM 1044 N ASP A 70 84.825 9.720 3.280 1.00 0.00 N ATOM 1045 CA ASP A 70 84.158 8.456 3.667 1.00 0.00 C ATOM 1046 C ASP A 70 84.250 7.511 2.480 1.00 0.00 C ATOM 1047 O ASP A 70 84.272 6.304 2.619 1.00 0.00 O ATOM 1048 CB ASP A 70 82.708 8.848 3.952 1.00 0.00 C ATOM 1049 CG ASP A 70 81.802 7.622 3.840 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.320 6.519 3.896 1.00 0.00 O ATOM 1051 OD2 ASP A 70 80.604 7.809 3.703 1.00 0.00 O ATOM 0 H ASP A 70 84.199 10.461 2.965 1.00 0.00 H new ATOM 0 HA ASP A 70 84.600 7.962 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.629 9.279 4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.385 9.614 3.248 1.00 0.00 H new ATOM 1056 N LEU A 71 84.328 8.072 1.306 1.00 0.00 N ATOM 1057 CA LEU A 71 84.446 7.236 0.092 1.00 0.00 C ATOM 1058 C LEU A 71 85.904 6.807 -0.080 1.00 0.00 C ATOM 1059 O LEU A 71 86.198 5.722 -0.543 1.00 0.00 O ATOM 1060 CB LEU A 71 84.004 8.136 -1.063 1.00 0.00 C ATOM 1061 CG LEU A 71 84.064 7.351 -2.375 1.00 0.00 C ATOM 1062 CD1 LEU A 71 82.645 7.007 -2.829 1.00 0.00 C ATOM 1063 CD2 LEU A 71 84.749 8.204 -3.445 1.00 0.00 C ATOM 0 H LEU A 71 84.315 9.078 1.140 1.00 0.00 H new ATOM 0 HA LEU A 71 83.840 6.331 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 71 82.990 8.497 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.649 9.013 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 71 84.629 6.431 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 71 82.688 6.448 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 71 82.156 6.402 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 71 82.079 7.926 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 71 84.793 7.647 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.182 9.123 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 71 85.760 8.451 -3.121 1.00 0.00 H new ATOM 1075 N GLU A 72 86.820 7.657 0.304 1.00 0.00 N ATOM 1076 CA GLU A 72 88.264 7.312 0.182 1.00 0.00 C ATOM 1077 C GLU A 72 88.637 6.270 1.239 1.00 0.00 C ATOM 1078 O GLU A 72 89.467 5.407 1.011 1.00 0.00 O ATOM 1079 CB GLU A 72 89.008 8.624 0.433 1.00 0.00 C ATOM 1080 CG GLU A 72 90.514 8.357 0.470 1.00 0.00 C ATOM 1081 CD GLU A 72 91.269 9.685 0.385 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.620 10.703 0.212 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.484 9.661 0.493 1.00 0.00 O ATOM 0 H GLU A 72 86.628 8.578 0.698 1.00 0.00 H new ATOM 0 HA GLU A 72 88.512 6.887 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.774 9.343 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.683 9.064 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.779 7.834 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.800 7.710 -0.359 1.00 0.00 H new ATOM 1090 N LYS A 73 88.007 6.317 2.383 1.00 0.00 N ATOM 1091 CA LYS A 73 88.310 5.309 3.425 1.00 0.00 C ATOM 1092 C LYS A 73 87.588 4.036 3.034 1.00 0.00 C ATOM 1093 O LYS A 73 88.024 2.938 3.310 1.00 0.00 O ATOM 1094 CB LYS A 73 87.749 5.882 4.726 1.00 0.00 C ATOM 1095 CG LYS A 73 88.874 6.561 5.512 1.00 0.00 C ATOM 1096 CD LYS A 73 89.103 5.814 6.826 1.00 0.00 C ATOM 1097 CE LYS A 73 89.469 6.813 7.926 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.951 6.725 8.049 1.00 0.00 N ATOM 0 H LYS A 73 87.300 7.008 2.635 1.00 0.00 H new ATOM 0 HA LYS A 73 89.372 5.091 3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.958 6.600 4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.302 5.087 5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.790 6.569 4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 73 88.615 7.601 5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 73 88.204 5.264 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 73 89.901 5.081 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 73 89.154 7.823 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.979 6.561 8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 91.278 7.383 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 91.221 5.754 8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 91.390 6.977 7.141 1.00 0.00 H new ATOM 1112 N ALA A 74 86.484 4.193 2.363 1.00 0.00 N ATOM 1113 CA ALA A 74 85.718 3.014 1.913 1.00 0.00 C ATOM 1114 C ALA A 74 86.546 2.246 0.884 1.00 0.00 C ATOM 1115 O ALA A 74 86.477 1.036 0.789 1.00 0.00 O ATOM 1116 CB ALA A 74 84.449 3.578 1.279 1.00 0.00 C ATOM 0 H ALA A 74 86.081 5.095 2.108 1.00 0.00 H new ATOM 0 HA ALA A 74 85.481 2.326 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.827 2.758 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.897 4.154 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.716 4.224 0.443 1.00 0.00 H new ATOM 1122 N LEU A 75 87.345 2.947 0.125 1.00 0.00 N ATOM 1123 CA LEU A 75 88.199 2.276 -0.882 1.00 0.00 C ATOM 1124 C LEU A 75 89.313 1.535 -0.156 1.00 0.00 C ATOM 1125 O LEU A 75 89.598 0.387 -0.432 1.00 0.00 O ATOM 1126 CB LEU A 75 88.762 3.416 -1.726 1.00 0.00 C ATOM 1127 CG LEU A 75 89.407 2.854 -2.990 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.710 2.141 -2.624 1.00 0.00 C ATOM 1129 CD2 LEU A 75 88.450 1.864 -3.657 1.00 0.00 C ATOM 0 H LEU A 75 87.439 3.962 0.164 1.00 0.00 H new ATOM 0 HA LEU A 75 87.666 1.550 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.966 4.112 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.498 3.978 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 75 89.622 3.669 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 75 91.171 1.739 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 75 91.392 2.849 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.497 1.326 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 75 88.912 1.463 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 75 88.232 1.048 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.523 2.374 -3.919 1.00 0.00 H new ATOM 1141 N GLU A 76 89.932 2.183 0.794 1.00 0.00 N ATOM 1142 CA GLU A 76 91.011 1.509 1.560 1.00 0.00 C ATOM 1143 C GLU A 76 90.383 0.532 2.554 1.00 0.00 C ATOM 1144 O GLU A 76 91.020 -0.380 3.043 1.00 0.00 O ATOM 1145 CB GLU A 76 91.741 2.631 2.296 1.00 0.00 C ATOM 1146 CG GLU A 76 93.174 2.738 1.773 1.00 0.00 C ATOM 1147 CD GLU A 76 93.923 1.438 2.066 1.00 0.00 C ATOM 1148 OE1 GLU A 76 94.299 1.237 3.209 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.110 0.663 1.141 1.00 0.00 O ATOM 0 H GLU A 76 89.736 3.145 1.069 1.00 0.00 H new ATOM 0 HA GLU A 76 91.691 0.942 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.218 3.576 2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.748 2.433 3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.167 2.932 0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.683 3.578 2.246 1.00 0.00 H new ATOM 1156 N LEU A 77 89.126 0.723 2.849 1.00 0.00 N ATOM 1157 CA LEU A 77 88.424 -0.181 3.805 1.00 0.00 C ATOM 1158 C LEU A 77 88.194 -1.547 3.159 1.00 0.00 C ATOM 1159 O LEU A 77 87.695 -2.466 3.780 1.00 0.00 O ATOM 1160 CB LEU A 77 87.086 0.508 4.068 1.00 0.00 C ATOM 1161 CG LEU A 77 87.126 1.290 5.388 1.00 0.00 C ATOM 1162 CD1 LEU A 77 88.517 1.891 5.631 1.00 0.00 C ATOM 1163 CD2 LEU A 77 86.097 2.416 5.320 1.00 0.00 C ATOM 0 H LEU A 77 88.550 1.473 2.466 1.00 0.00 H new ATOM 0 HA LEU A 77 88.994 -0.349 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.853 1.185 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.290 -0.236 4.105 1.00 0.00 H new ATOM 0 HG LEU A 77 86.899 0.609 6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 77 88.517 2.440 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 77 89.256 1.091 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 77 88.768 2.570 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.114 2.981 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 77 86.338 3.079 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 77 85.104 1.993 5.170 1.00 0.00 H new ATOM 1175 N THR A 78 88.549 -1.685 1.911 1.00 0.00 N ATOM 1176 CA THR A 78 88.345 -2.988 1.214 1.00 0.00 C ATOM 1177 C THR A 78 89.367 -4.024 1.678 1.00 0.00 C ATOM 1178 O THR A 78 89.412 -5.134 1.187 1.00 0.00 O ATOM 1179 CB THR A 78 88.526 -2.680 -0.271 1.00 0.00 C ATOM 1180 OG1 THR A 78 87.581 -1.696 -0.668 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.314 -3.955 -1.090 1.00 0.00 C ATOM 0 H THR A 78 88.972 -0.951 1.343 1.00 0.00 H new ATOM 0 HA THR A 78 87.363 -3.410 1.428 1.00 0.00 H new ATOM 0 HB THR A 78 89.535 -2.305 -0.443 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.015 -0.818 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 78 88.444 -3.733 -2.149 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.041 -4.708 -0.786 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.306 -4.334 -0.919 1.00 0.00 H new ATOM 1189 N GLY A 79 90.177 -3.673 2.625 1.00 0.00 N ATOM 1190 CA GLY A 79 91.191 -4.638 3.139 1.00 0.00 C ATOM 1191 C GLY A 79 90.560 -5.489 4.245 1.00 0.00 C ATOM 1192 O GLY A 79 91.138 -6.448 4.714 1.00 0.00 O ATOM 0 H GLY A 79 90.186 -2.756 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.546 -5.276 2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 79 92.058 -4.102 3.526 1.00 0.00 H new ATOM 1196 N LEU A 80 89.374 -5.137 4.666 1.00 0.00 N ATOM 1197 CA LEU A 80 88.691 -5.907 5.740 1.00 0.00 C ATOM 1198 C LEU A 80 88.059 -7.179 5.178 1.00 0.00 C ATOM 1199 O LEU A 80 88.363 -7.612 4.086 1.00 0.00 O ATOM 1200 CB LEU A 80 87.610 -4.957 6.249 1.00 0.00 C ATOM 1201 CG LEU A 80 88.215 -3.974 7.253 1.00 0.00 C ATOM 1202 CD1 LEU A 80 88.489 -4.695 8.574 1.00 0.00 C ATOM 1203 CD2 LEU A 80 89.527 -3.413 6.697 1.00 0.00 C ATOM 0 H LEU A 80 88.847 -4.341 4.307 1.00 0.00 H new ATOM 0 HA LEU A 80 89.378 -6.225 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 80 87.169 -4.413 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.807 -5.524 6.720 1.00 0.00 H new ATOM 0 HG LEU A 80 87.515 -3.156 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.920 -3.994 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.555 -5.091 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 80 89.187 -5.514 8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 80 89.956 -2.713 7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 80 90.227 -4.230 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 80 89.332 -2.896 5.757 1.00 0.00 H new ATOM 1215 N LYS A 81 87.176 -7.769 5.931 1.00 0.00 N ATOM 1216 CA LYS A 81 86.486 -9.013 5.478 1.00 0.00 C ATOM 1217 C LYS A 81 85.102 -9.055 6.077 1.00 0.00 C ATOM 1218 O LYS A 81 84.690 -10.039 6.657 1.00 0.00 O ATOM 1219 CB LYS A 81 87.306 -10.149 6.024 1.00 0.00 C ATOM 1220 CG LYS A 81 87.770 -11.052 4.881 1.00 0.00 C ATOM 1221 CD LYS A 81 88.972 -11.881 5.338 1.00 0.00 C ATOM 1222 CE LYS A 81 90.263 -11.234 4.832 1.00 0.00 C ATOM 1223 NZ LYS A 81 91.250 -11.439 5.929 1.00 0.00 N ATOM 0 H LYS A 81 86.897 -7.439 6.855 1.00 0.00 H new ATOM 0 HA LYS A 81 86.394 -9.064 4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 81 88.169 -9.759 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.716 -10.725 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 81 86.958 -11.710 4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.040 -10.449 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.989 -11.947 6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.890 -12.899 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.600 -11.698 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.118 -10.174 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 92.163 -11.022 5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.905 -10.981 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.372 -12.458 6.100 1.00 0.00 H new ATOM 1237 N VAL A 82 84.414 -7.980 5.912 1.00 0.00 N ATOM 1238 CA VAL A 82 83.010 -7.815 6.438 1.00 0.00 C ATOM 1239 C VAL A 82 82.668 -8.916 7.454 1.00 0.00 C ATOM 1240 O VAL A 82 83.436 -9.194 8.353 1.00 0.00 O ATOM 1241 CB VAL A 82 82.119 -7.850 5.184 1.00 0.00 C ATOM 1242 CG1 VAL A 82 82.024 -9.270 4.621 1.00 0.00 C ATOM 1243 CG2 VAL A 82 80.719 -7.334 5.533 1.00 0.00 C ATOM 0 H VAL A 82 84.766 -7.162 5.415 1.00 0.00 H new ATOM 0 HA VAL A 82 82.868 -6.885 6.989 1.00 0.00 H new ATOM 0 HB VAL A 82 82.566 -7.210 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 82 81.389 -9.268 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 82 83.020 -9.622 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 82 81.595 -9.932 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 82 80.090 -7.360 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 82 80.281 -7.965 6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 82 80.789 -6.309 5.898 1.00 0.00 H new ATOM 1253 N PHE A 83 81.538 -9.546 7.335 1.00 0.00 N ATOM 1254 CA PHE A 83 81.194 -10.626 8.304 1.00 0.00 C ATOM 1255 C PHE A 83 82.108 -11.838 8.082 1.00 0.00 C ATOM 1256 O PHE A 83 82.048 -12.816 8.801 1.00 0.00 O ATOM 1257 CB PHE A 83 79.737 -10.981 8.003 1.00 0.00 C ATOM 1258 CG PHE A 83 78.854 -10.517 9.137 1.00 0.00 C ATOM 1259 CD1 PHE A 83 79.209 -9.389 9.889 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.678 -11.215 9.437 1.00 0.00 C ATOM 1261 CE1 PHE A 83 78.388 -8.962 10.939 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.858 -10.787 10.487 1.00 0.00 C ATOM 1263 CZ PHE A 83 77.212 -9.661 11.238 1.00 0.00 C ATOM 0 H PHE A 83 80.839 -9.364 6.615 1.00 0.00 H new ATOM 0 HA PHE A 83 81.326 -10.315 9.340 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.424 -10.512 7.070 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.636 -12.058 7.868 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.116 -8.849 9.658 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.404 -12.084 8.858 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.662 -8.093 11.519 1.00 0.00 H new ATOM 0 HE2 PHE A 83 75.951 -11.326 10.718 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.579 -9.331 12.048 1.00 0.00 H new ATOM 1273 N GLY A 84 82.955 -11.776 7.089 1.00 0.00 N ATOM 1274 CA GLY A 84 83.880 -12.909 6.806 1.00 0.00 C ATOM 1275 C GLY A 84 84.218 -12.914 5.313 1.00 0.00 C ATOM 1276 O GLY A 84 84.348 -13.954 4.699 1.00 0.00 O ATOM 0 H GLY A 84 83.045 -10.981 6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 84 84.790 -12.809 7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.417 -13.854 7.090 1.00 0.00 H new ATOM 1280 N ASN A 85 84.357 -11.755 4.727 1.00 0.00 N ATOM 1281 CA ASN A 85 84.684 -11.679 3.275 1.00 0.00 C ATOM 1282 C ASN A 85 85.021 -10.235 2.907 1.00 0.00 C ATOM 1283 O ASN A 85 84.197 -9.350 3.019 1.00 0.00 O ATOM 1284 CB ASN A 85 83.413 -12.138 2.559 1.00 0.00 C ATOM 1285 CG ASN A 85 83.785 -12.796 1.229 1.00 0.00 C ATOM 1286 OD1 ASN A 85 84.946 -12.872 0.879 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.841 -13.279 0.469 1.00 0.00 N ATOM 0 H ASN A 85 84.257 -10.854 5.194 1.00 0.00 H new ATOM 0 HA ASN A 85 85.542 -12.293 3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.865 -12.843 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.754 -11.287 2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 85 83.077 -13.721 -0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.866 -13.215 0.763 1.00 0.00 H new ATOM 1294 N GLU A 86 86.225 -9.984 2.482 1.00 0.00 N ATOM 1295 CA GLU A 86 86.611 -8.590 2.124 1.00 0.00 C ATOM 1296 C GLU A 86 85.603 -7.994 1.145 1.00 0.00 C ATOM 1297 O GLU A 86 85.751 -8.082 -0.057 1.00 0.00 O ATOM 1298 CB GLU A 86 88.001 -8.719 1.504 1.00 0.00 C ATOM 1299 CG GLU A 86 88.277 -7.549 0.554 1.00 0.00 C ATOM 1300 CD GLU A 86 88.175 -8.029 -0.896 1.00 0.00 C ATOM 1301 OE1 GLU A 86 87.975 -9.215 -1.094 1.00 0.00 O ATOM 1302 OE2 GLU A 86 88.298 -7.200 -1.782 1.00 0.00 O ATOM 0 H GLU A 86 86.960 -10.682 2.366 1.00 0.00 H new ATOM 0 HA GLU A 86 86.621 -7.920 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.755 -8.742 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.077 -9.661 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.562 -6.746 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 86 89.270 -7.140 0.743 1.00 0.00 H new ATOM 1309 N ILE A 87 84.580 -7.381 1.665 1.00 0.00 N ATOM 1310 CA ILE A 87 83.555 -6.764 0.777 1.00 0.00 C ATOM 1311 C ILE A 87 84.246 -5.982 -0.338 1.00 0.00 C ATOM 1312 O ILE A 87 85.183 -5.245 -0.107 1.00 0.00 O ATOM 1313 CB ILE A 87 82.737 -5.818 1.662 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.645 -5.150 2.701 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.640 -6.609 2.376 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.315 -3.659 2.784 1.00 0.00 C ATOM 0 H ILE A 87 84.407 -7.279 2.665 1.00 0.00 H new ATOM 0 HA ILE A 87 82.918 -7.516 0.311 1.00 0.00 H new ATOM 0 HB ILE A 87 82.286 -5.047 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.507 -5.619 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.691 -5.287 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.058 -5.936 3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.986 -7.072 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.094 -7.383 2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.961 -3.184 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.476 -3.196 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.273 -3.533 3.078 1.00 0.00 H new ATOM 1328 N LYS A 88 83.787 -6.137 -1.542 1.00 0.00 N ATOM 1329 CA LYS A 88 84.409 -5.405 -2.677 1.00 0.00 C ATOM 1330 C LYS A 88 83.516 -4.236 -3.087 1.00 0.00 C ATOM 1331 O LYS A 88 82.402 -4.105 -2.625 1.00 0.00 O ATOM 1332 CB LYS A 88 84.507 -6.431 -3.807 1.00 0.00 C ATOM 1333 CG LYS A 88 85.622 -7.430 -3.494 1.00 0.00 C ATOM 1334 CD LYS A 88 85.732 -8.448 -4.631 1.00 0.00 C ATOM 1335 CE LYS A 88 86.694 -9.567 -4.225 1.00 0.00 C ATOM 1336 NZ LYS A 88 87.673 -9.657 -5.343 1.00 0.00 N ATOM 0 H LYS A 88 83.004 -6.741 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 88 85.385 -4.992 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.557 -6.954 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 88 84.710 -5.928 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 88 86.569 -6.906 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.413 -7.941 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 88 84.750 -8.863 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 88 86.088 -7.959 -5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 88 87.191 -9.338 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 88 86.166 -10.510 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 88.367 -10.404 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 87.172 -9.883 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 88.165 -8.747 -5.448 1.00 0.00 H new ATOM 1350 N LEU A 89 83.996 -3.385 -3.945 1.00 0.00 N ATOM 1351 CA LEU A 89 83.175 -2.223 -4.379 1.00 0.00 C ATOM 1352 C LEU A 89 83.009 -2.223 -5.896 1.00 0.00 C ATOM 1353 O LEU A 89 83.435 -3.130 -6.584 1.00 0.00 O ATOM 1354 CB LEU A 89 83.961 -0.995 -3.933 1.00 0.00 C ATOM 1355 CG LEU A 89 83.418 -0.499 -2.592 1.00 0.00 C ATOM 1356 CD1 LEU A 89 83.895 -1.425 -1.472 1.00 0.00 C ATOM 1357 CD2 LEU A 89 83.928 0.920 -2.331 1.00 0.00 C ATOM 0 H LEU A 89 84.923 -3.443 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 89 82.173 -2.248 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.019 -1.241 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.882 -0.208 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 89 82.328 -0.496 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.507 -1.070 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 89 83.533 -2.436 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 89 84.985 -1.429 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 89 83.542 1.275 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.018 0.916 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 89 83.588 1.581 -3.128 1.00 0.00 H new ATOM 1369 N GLU A 90 82.391 -1.207 -6.414 1.00 0.00 N ATOM 1370 CA GLU A 90 82.184 -1.123 -7.888 1.00 0.00 C ATOM 1371 C GLU A 90 81.773 0.297 -8.285 1.00 0.00 C ATOM 1372 O GLU A 90 81.026 0.956 -7.589 1.00 0.00 O ATOM 1373 CB GLU A 90 81.054 -2.110 -8.186 1.00 0.00 C ATOM 1374 CG GLU A 90 81.528 -3.132 -9.220 1.00 0.00 C ATOM 1375 CD GLU A 90 80.784 -2.910 -10.537 1.00 0.00 C ATOM 1376 OE1 GLU A 90 80.267 -1.820 -10.726 1.00 0.00 O ATOM 1377 OE2 GLU A 90 80.741 -3.831 -11.336 1.00 0.00 O ATOM 0 H GLU A 90 82.016 -0.423 -5.880 1.00 0.00 H new ATOM 0 HA GLU A 90 83.090 -1.359 -8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 90 80.749 -2.618 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.180 -1.577 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 90 82.602 -3.035 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 90 81.349 -4.143 -8.855 1.00 0.00 H new