USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.92 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.78 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= -0.0615 (180deg=-0.448) USER MOD Single : A 20 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.11) USER MOD Single : A 21 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.2) USER MOD Single : A 23 MET CE :methyl -107:sc= -3.14! (180deg=-6.79!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -1.06 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.0097) USER MOD Single : A 65 SER OG : rot 170:sc= -1.22 USER MOD Single : A 70 SER OG : rot 52:sc= 0.196 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -6.2! C(o=-6.2!,f=-12!) USER MOD Single : A 83 MET CE :methyl -151:sc= -4.94! (180deg=-9.07!) USER MOD Single : A 84 THR OG1 : rot 83:sc= 0.211 USER MOD Single : A 86 THR OG1 : rot -67:sc= -4.4! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 37:sc= 1.11 USER MOD Single : A 91 THR OG1 : rot 180:sc= -3.47! USER MOD ----------------------------------------------------------------- ATOM 153 N GLU A 11 -3.999 -6.074 -7.679 1.00 0.00 N ATOM 154 CA GLU A 11 -4.459 -4.827 -8.267 1.00 0.00 C ATOM 155 C GLU A 11 -3.500 -3.688 -7.918 1.00 0.00 C ATOM 156 O GLU A 11 -3.072 -3.562 -6.772 1.00 0.00 O ATOM 157 CB GLU A 11 -5.884 -4.501 -7.816 1.00 0.00 C ATOM 158 CG GLU A 11 -6.555 -3.522 -8.781 1.00 0.00 C ATOM 159 CD GLU A 11 -8.064 -3.455 -8.535 1.00 0.00 C ATOM 160 OE1 GLU A 11 -8.708 -4.517 -8.671 1.00 0.00 O ATOM 161 OE2 GLU A 11 -8.537 -2.342 -8.216 1.00 0.00 O ATOM 0 HA GLU A 11 -4.473 -4.944 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.470 -5.419 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.863 -4.072 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.119 -2.530 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.364 -3.831 -9.809 1.00 0.00 H new ATOM 168 N ILE A 12 -3.190 -2.886 -8.927 1.00 0.00 N ATOM 169 CA ILE A 12 -2.289 -1.761 -8.740 1.00 0.00 C ATOM 170 C ILE A 12 -3.100 -0.521 -8.362 1.00 0.00 C ATOM 171 O ILE A 12 -3.879 -0.014 -9.169 1.00 0.00 O ATOM 172 CB ILE A 12 -1.409 -1.570 -9.976 1.00 0.00 C ATOM 173 CG1 ILE A 12 -0.101 -0.864 -9.615 1.00 0.00 C ATOM 174 CG2 ILE A 12 -2.170 -0.833 -11.081 1.00 0.00 C ATOM 175 CD1 ILE A 12 -0.284 0.656 -9.596 1.00 0.00 C ATOM 0 H ILE A 12 -3.547 -2.993 -9.876 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.602 -1.954 -7.916 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.147 -2.554 -10.364 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.242 -1.205 -8.638 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.672 -1.132 -10.336 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.522 -0.710 -11.949 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.050 -1.410 -11.364 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.480 0.147 -10.718 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.661 1.133 -9.337 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.604 0.996 -10.581 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.040 0.922 -8.857 1.00 0.00 H new ATOM 187 N ILE A 13 -2.890 -0.066 -7.136 1.00 0.00 N ATOM 188 CA ILE A 13 -3.593 1.106 -6.642 1.00 0.00 C ATOM 189 C ILE A 13 -2.602 2.262 -6.490 1.00 0.00 C ATOM 190 O ILE A 13 -1.418 2.042 -6.244 1.00 0.00 O ATOM 191 CB ILE A 13 -4.352 0.774 -5.355 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.874 -0.663 -5.383 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.471 1.785 -5.102 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.844 -0.873 -6.548 1.00 0.00 C ATOM 0 H ILE A 13 -2.243 -0.488 -6.470 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.351 1.425 -7.358 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.656 0.848 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.037 -1.356 -5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.376 -0.890 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.994 1.526 -4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.045 2.784 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.173 1.767 -5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.200 -1.903 -6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.692 -0.196 -6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.332 -0.669 -7.489 1.00 0.00 H new ATOM 206 N THR A 14 -3.124 3.470 -6.645 1.00 0.00 N ATOM 207 CA THR A 14 -2.302 4.662 -6.528 1.00 0.00 C ATOM 208 C THR A 14 -3.002 5.712 -5.663 1.00 0.00 C ATOM 209 O THR A 14 -4.177 6.008 -5.869 1.00 0.00 O ATOM 210 CB THR A 14 -1.980 5.153 -7.940 1.00 0.00 C ATOM 211 OG1 THR A 14 -1.438 6.457 -7.739 1.00 0.00 O ATOM 212 CG2 THR A 14 -3.237 5.399 -8.777 1.00 0.00 C ATOM 0 H THR A 14 -4.107 3.649 -6.851 1.00 0.00 H new ATOM 0 HA THR A 14 -1.362 4.446 -6.021 1.00 0.00 H new ATOM 0 HB THR A 14 -1.347 4.421 -8.442 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.200 6.849 -8.605 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.951 5.746 -9.770 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.802 4.471 -8.866 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.855 6.155 -8.292 1.00 0.00 H new ATOM 220 N VAL A 15 -2.248 6.247 -4.713 1.00 0.00 N ATOM 221 CA VAL A 15 -2.783 7.256 -3.816 1.00 0.00 C ATOM 222 C VAL A 15 -1.955 8.537 -3.944 1.00 0.00 C ATOM 223 O VAL A 15 -0.810 8.587 -3.497 1.00 0.00 O ATOM 224 CB VAL A 15 -2.827 6.716 -2.385 1.00 0.00 C ATOM 225 CG1 VAL A 15 -4.200 6.949 -1.753 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.451 5.233 -2.348 1.00 0.00 C ATOM 0 H VAL A 15 -1.272 6.001 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.809 7.502 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.091 7.264 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.204 6.556 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.413 8.018 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.963 6.440 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.490 4.873 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.153 4.664 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.442 5.104 -2.740 1.00 0.00 H new ATOM 236 N THR A 16 -2.565 9.539 -4.561 1.00 0.00 N ATOM 237 CA THR A 16 -1.898 10.815 -4.755 1.00 0.00 C ATOM 238 C THR A 16 -2.211 11.762 -3.593 1.00 0.00 C ATOM 239 O THR A 16 -3.303 11.721 -3.031 1.00 0.00 O ATOM 240 CB THR A 16 -2.320 11.365 -6.118 1.00 0.00 C ATOM 241 OG1 THR A 16 -1.761 10.447 -7.053 1.00 0.00 O ATOM 242 CG2 THR A 16 -1.639 12.694 -6.449 1.00 0.00 C ATOM 0 H THR A 16 -3.514 9.493 -4.933 1.00 0.00 H new ATOM 0 HA THR A 16 -0.814 10.700 -4.756 1.00 0.00 H new ATOM 0 HB THR A 16 -3.402 11.496 -6.136 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.989 10.728 -7.964 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.973 13.040 -7.427 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.900 13.435 -5.693 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.558 12.555 -6.463 1.00 0.00 H new ATOM 250 N LEU A 17 -1.230 12.592 -3.271 1.00 0.00 N ATOM 251 CA LEU A 17 -1.386 13.548 -2.187 1.00 0.00 C ATOM 252 C LEU A 17 -2.295 14.690 -2.647 1.00 0.00 C ATOM 253 O LEU A 17 -1.871 15.555 -3.413 1.00 0.00 O ATOM 254 CB LEU A 17 -0.019 14.015 -1.683 1.00 0.00 C ATOM 255 CG LEU A 17 0.677 13.091 -0.681 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.279 13.892 0.476 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.277 12.000 -0.186 1.00 0.00 C ATOM 0 H LEU A 17 -0.325 12.623 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.871 13.078 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.638 14.147 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.139 14.995 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 17 1.501 12.592 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.768 13.212 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.011 14.600 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.488 14.435 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.243 11.357 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.135 12.461 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.618 11.404 -1.032 1.00 0.00 H new ATOM 269 N LYS A 18 -3.525 14.658 -2.159 1.00 0.00 N ATOM 270 CA LYS A 18 -4.497 15.679 -2.511 1.00 0.00 C ATOM 271 C LYS A 18 -4.334 16.875 -1.573 1.00 0.00 C ATOM 272 O LYS A 18 -4.199 18.013 -2.025 1.00 0.00 O ATOM 273 CB LYS A 18 -5.911 15.095 -2.522 1.00 0.00 C ATOM 274 CG LYS A 18 -6.945 16.166 -2.866 1.00 0.00 C ATOM 275 CD LYS A 18 -7.571 15.905 -4.238 1.00 0.00 C ATOM 276 CE LYS A 18 -8.936 16.585 -4.357 1.00 0.00 C ATOM 277 NZ LYS A 18 -9.953 15.624 -4.841 1.00 0.00 N ATOM 0 H LYS A 18 -3.872 13.941 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.320 16.040 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.967 14.284 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.138 14.666 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.724 16.182 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.472 17.148 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.908 16.274 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.681 14.832 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.236 16.984 -3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.870 17.430 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.874 16.102 -4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.673 15.263 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.028 14.831 -4.172 1.00 0.00 H new ATOM 291 N LYS A 19 -4.350 16.581 -0.280 1.00 0.00 N ATOM 292 CA LYS A 19 -4.206 17.619 0.726 1.00 0.00 C ATOM 293 C LYS A 19 -2.751 17.668 1.196 1.00 0.00 C ATOM 294 O LYS A 19 -2.384 18.526 1.997 1.00 0.00 O ATOM 295 CB LYS A 19 -5.212 17.408 1.861 1.00 0.00 C ATOM 296 CG LYS A 19 -5.151 18.558 2.867 1.00 0.00 C ATOM 297 CD LYS A 19 -6.405 18.584 3.745 1.00 0.00 C ATOM 298 CE LYS A 19 -7.454 19.540 3.172 1.00 0.00 C ATOM 299 NZ LYS A 19 -6.997 20.943 3.288 1.00 0.00 N ATOM 0 H LYS A 19 -4.461 15.638 0.093 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.438 18.596 0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.219 17.332 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.003 16.466 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.266 18.451 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.054 19.505 2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.823 17.580 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.139 18.893 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.642 19.298 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.398 19.414 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.822 21.576 3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.451 21.059 4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.396 21.181 2.473 1.00 0.00 H new ATOM 313 N GLN A 20 -1.963 16.739 0.676 1.00 0.00 N ATOM 314 CA GLN A 20 -0.556 16.668 1.033 1.00 0.00 C ATOM 315 C GLN A 20 -0.395 16.638 2.554 1.00 0.00 C ATOM 316 O GLN A 20 0.488 17.300 3.100 1.00 0.00 O ATOM 317 CB GLN A 20 0.225 17.832 0.420 1.00 0.00 C ATOM 318 CG GLN A 20 0.501 17.586 -1.065 1.00 0.00 C ATOM 319 CD GLN A 20 0.712 18.906 -1.810 1.00 0.00 C ATOM 320 OE1 GLN A 20 -0.104 19.812 -1.765 1.00 0.00 O ATOM 321 NE2 GLN A 20 1.851 18.965 -2.493 1.00 0.00 N ATOM 0 H GLN A 20 -2.271 16.030 0.011 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.144 15.744 0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.340 18.757 0.540 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.167 17.962 0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.384 16.957 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.334 17.043 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.490 18.170 -2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.086 19.805 -3.022 1.00 0.00 H new ATOM 330 N ASN A 21 -1.259 15.867 3.193 1.00 0.00 N ATOM 331 CA ASN A 21 -1.223 15.743 4.640 1.00 0.00 C ATOM 332 C ASN A 21 -0.314 14.573 5.026 1.00 0.00 C ATOM 333 O ASN A 21 -0.609 13.835 5.966 1.00 0.00 O ATOM 334 CB ASN A 21 -2.617 15.461 5.205 1.00 0.00 C ATOM 335 CG ASN A 21 -2.619 15.549 6.732 1.00 0.00 C ATOM 336 OD1 ASN A 21 -1.601 15.767 7.369 1.00 0.00 O ATOM 337 ND2 ASN A 21 -3.815 15.363 7.284 1.00 0.00 N ATOM 0 H ASN A 21 -1.989 15.321 2.736 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.851 16.683 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.331 16.176 4.795 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.945 14.469 4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.920 15.399 8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.627 15.185 6.693 1.00 0.00 H new ATOM 344 N GLY A 22 0.775 14.440 4.282 1.00 0.00 N ATOM 345 CA GLY A 22 1.729 13.375 4.534 1.00 0.00 C ATOM 346 C GLY A 22 1.348 12.105 3.769 1.00 0.00 C ATOM 347 O GLY A 22 2.002 11.746 2.791 1.00 0.00 O ATOM 0 H GLY A 22 1.017 15.053 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.727 13.698 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.768 13.162 5.602 1.00 0.00 H new ATOM 351 N MET A 23 0.290 11.462 4.241 1.00 0.00 N ATOM 352 CA MET A 23 -0.187 10.242 3.613 1.00 0.00 C ATOM 353 C MET A 23 -1.264 9.571 4.466 1.00 0.00 C ATOM 354 O MET A 23 -2.443 9.600 4.120 1.00 0.00 O ATOM 355 CB MET A 23 0.986 9.277 3.419 1.00 0.00 C ATOM 356 CG MET A 23 1.226 8.997 1.933 1.00 0.00 C ATOM 357 SD MET A 23 2.896 9.441 1.491 1.00 0.00 S ATOM 358 CE MET A 23 3.731 7.908 1.862 1.00 0.00 C ATOM 0 H MET A 23 -0.251 11.763 5.052 1.00 0.00 H new ATOM 0 HA MET A 23 -0.623 10.498 2.647 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.887 9.700 3.863 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.782 8.342 3.941 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.053 7.942 1.721 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.518 9.564 1.329 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.323 8.026 2.770 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.994 7.119 2.010 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.387 7.641 1.033 1.00 0.00 H new ATOM 368 N GLY A 24 -0.821 8.980 5.567 1.00 0.00 N ATOM 369 CA GLY A 24 -1.733 8.303 6.473 1.00 0.00 C ATOM 370 C GLY A 24 -2.005 6.872 6.007 1.00 0.00 C ATOM 371 O GLY A 24 -3.152 6.504 5.757 1.00 0.00 O ATOM 0 H GLY A 24 0.158 8.956 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.310 8.288 7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.671 8.855 6.531 1.00 0.00 H new ATOM 375 N LEU A 25 -0.932 6.102 5.906 1.00 0.00 N ATOM 376 CA LEU A 25 -1.040 4.719 5.476 1.00 0.00 C ATOM 377 C LEU A 25 -0.277 3.823 6.453 1.00 0.00 C ATOM 378 O LEU A 25 0.653 4.275 7.118 1.00 0.00 O ATOM 379 CB LEU A 25 -0.584 4.572 4.023 1.00 0.00 C ATOM 380 CG LEU A 25 -1.540 5.119 2.960 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.083 4.723 1.554 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.979 4.679 3.241 1.00 0.00 C ATOM 0 H LEU A 25 0.018 6.410 6.115 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.081 4.396 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.377 5.075 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.415 3.514 3.821 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.520 6.208 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.780 5.124 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.087 5.126 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.056 3.636 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.639 5.080 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.034 3.590 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.290 5.053 4.217 1.00 0.00 H new ATOM 394 N SER A 26 -0.697 2.568 6.509 1.00 0.00 N ATOM 395 CA SER A 26 -0.064 1.605 7.392 1.00 0.00 C ATOM 396 C SER A 26 -0.044 0.224 6.734 1.00 0.00 C ATOM 397 O SER A 26 -1.095 -0.362 6.479 1.00 0.00 O ATOM 398 CB SER A 26 -0.785 1.539 8.741 1.00 0.00 C ATOM 399 OG SER A 26 0.100 1.198 9.804 1.00 0.00 O ATOM 0 H SER A 26 -1.469 2.196 5.956 1.00 0.00 H new ATOM 0 HA SER A 26 0.961 1.929 7.572 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.249 2.502 8.951 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.587 0.803 8.687 1.00 0.00 H new ATOM 0 HG SER A 26 -0.398 1.168 10.647 1.00 0.00 H new ATOM 405 N ILE A 27 1.165 -0.256 6.478 1.00 0.00 N ATOM 406 CA ILE A 27 1.336 -1.556 5.853 1.00 0.00 C ATOM 407 C ILE A 27 2.495 -2.293 6.531 1.00 0.00 C ATOM 408 O ILE A 27 3.197 -1.721 7.362 1.00 0.00 O ATOM 409 CB ILE A 27 1.503 -1.406 4.340 1.00 0.00 C ATOM 410 CG1 ILE A 27 2.982 -1.372 3.952 1.00 0.00 C ATOM 411 CG2 ILE A 27 0.747 -0.182 3.823 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.152 -1.401 2.432 1.00 0.00 C ATOM 0 H ILE A 27 2.035 0.232 6.692 1.00 0.00 H new ATOM 0 HA ILE A 27 0.444 -2.167 5.992 1.00 0.00 H new ATOM 0 HB ILE A 27 1.064 -2.281 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.447 -0.473 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.497 -2.224 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.883 -0.099 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.314 -0.288 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.133 0.715 4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.213 -1.376 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.708 -2.313 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.656 -0.535 1.994 1.00 0.00 H new ATOM 424 N VAL A 28 2.657 -3.552 6.149 1.00 0.00 N ATOM 425 CA VAL A 28 3.717 -4.372 6.707 1.00 0.00 C ATOM 426 C VAL A 28 4.115 -5.444 5.692 1.00 0.00 C ATOM 427 O VAL A 28 3.403 -5.675 4.717 1.00 0.00 O ATOM 428 CB VAL A 28 3.274 -4.956 8.052 1.00 0.00 C ATOM 429 CG1 VAL A 28 4.301 -5.961 8.579 1.00 0.00 C ATOM 430 CG2 VAL A 28 3.018 -3.845 9.073 1.00 0.00 C ATOM 0 H VAL A 28 2.071 -4.023 5.460 1.00 0.00 H new ATOM 0 HA VAL A 28 4.603 -3.768 6.905 1.00 0.00 H new ATOM 0 HB VAL A 28 2.336 -5.489 7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.962 -6.360 9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.412 -6.776 7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.261 -5.463 8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.705 -4.286 10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.933 -3.272 9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.234 -3.185 8.703 1.00 0.00 H new ATOM 440 N ALA A 29 5.252 -6.072 5.957 1.00 0.00 N ATOM 441 CA ALA A 29 5.754 -7.115 5.078 1.00 0.00 C ATOM 442 C ALA A 29 6.311 -8.262 5.922 1.00 0.00 C ATOM 443 O ALA A 29 7.084 -8.036 6.851 1.00 0.00 O ATOM 444 CB ALA A 29 6.802 -6.525 4.132 1.00 0.00 C ATOM 0 H ALA A 29 5.840 -5.878 6.768 1.00 0.00 H new ATOM 0 HA ALA A 29 4.950 -7.518 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.179 -7.307 3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.349 -5.734 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.626 -6.113 4.714 1.00 0.00 H new ATOM 450 N ALA A 30 5.895 -9.471 5.570 1.00 0.00 N ATOM 451 CA ALA A 30 6.342 -10.654 6.284 1.00 0.00 C ATOM 452 C ALA A 30 6.232 -11.871 5.363 1.00 0.00 C ATOM 453 O ALA A 30 7.096 -12.094 4.518 1.00 0.00 O ATOM 454 CB ALA A 30 5.525 -10.816 7.567 1.00 0.00 C ATOM 0 H ALA A 30 5.253 -9.656 4.799 1.00 0.00 H new ATOM 0 HA ALA A 30 7.388 -10.555 6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.861 -11.704 8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.661 -9.938 8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.470 -10.921 7.315 1.00 0.00 H new ATOM 576 N GLY A 39 5.224 -11.742 2.222 1.00 0.00 N ATOM 577 CA GLY A 39 3.887 -11.246 1.939 1.00 0.00 C ATOM 578 C GLY A 39 3.658 -9.882 2.593 1.00 0.00 C ATOM 579 O GLY A 39 3.868 -9.723 3.795 1.00 0.00 O ATOM 0 HA2 GLY A 39 3.746 -11.165 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.146 -11.957 2.305 1.00 0.00 H new ATOM 583 N ILE A 40 3.231 -8.932 1.773 1.00 0.00 N ATOM 584 CA ILE A 40 2.972 -7.587 2.260 1.00 0.00 C ATOM 585 C ILE A 40 1.465 -7.393 2.434 1.00 0.00 C ATOM 586 O ILE A 40 0.670 -8.005 1.720 1.00 0.00 O ATOM 587 CB ILE A 40 3.622 -6.552 1.340 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.730 -7.185 0.495 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.128 -5.348 2.138 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.304 -6.178 -0.504 1.00 0.00 C ATOM 0 H ILE A 40 3.058 -9.067 0.777 1.00 0.00 H new ATOM 0 HA ILE A 40 3.427 -7.442 3.240 1.00 0.00 H new ATOM 0 HB ILE A 40 2.861 -6.185 0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.525 -7.550 1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.335 -8.048 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.585 -4.628 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.292 -4.878 2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.867 -5.679 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.089 -6.655 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.512 -5.834 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.720 -5.327 0.035 1.00 0.00 H new ATOM 602 N TYR A 41 1.116 -6.542 3.387 1.00 0.00 N ATOM 603 CA TYR A 41 -0.283 -6.261 3.664 1.00 0.00 C ATOM 604 C TYR A 41 -0.459 -4.842 4.208 1.00 0.00 C ATOM 605 O TYR A 41 0.501 -4.227 4.671 1.00 0.00 O ATOM 606 CB TYR A 41 -0.708 -7.263 4.739 1.00 0.00 C ATOM 607 CG TYR A 41 -0.451 -8.723 4.365 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.174 -9.313 3.348 1.00 0.00 C ATOM 609 CD2 TYR A 41 0.505 -9.453 5.043 1.00 0.00 C ATOM 610 CE1 TYR A 41 -0.931 -10.689 2.996 1.00 0.00 C ATOM 611 CE2 TYR A 41 0.747 -10.827 4.691 1.00 0.00 C ATOM 612 CZ TYR A 41 0.016 -11.377 3.684 1.00 0.00 C ATOM 613 OH TYR A 41 0.245 -12.675 3.352 1.00 0.00 O ATOM 0 H TYR A 41 1.777 -6.038 3.977 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.879 -6.344 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.176 -7.036 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.771 -7.133 4.943 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.922 -8.743 2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.072 -8.992 5.838 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.490 -11.163 2.202 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.492 -11.408 5.214 1.00 0.00 H new ATOM 0 HH TYR A 41 0.950 -13.040 3.927 1.00 0.00 H new ATOM 623 N VAL A 42 -1.692 -4.363 4.135 1.00 0.00 N ATOM 624 CA VAL A 42 -2.007 -3.028 4.614 1.00 0.00 C ATOM 625 C VAL A 42 -2.705 -3.130 5.973 1.00 0.00 C ATOM 626 O VAL A 42 -3.736 -3.790 6.097 1.00 0.00 O ATOM 627 CB VAL A 42 -2.837 -2.280 3.571 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.455 -1.012 4.166 1.00 0.00 C ATOM 629 CG2 VAL A 42 -1.998 -1.952 2.333 1.00 0.00 C ATOM 0 H VAL A 42 -2.485 -4.876 3.751 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.095 -2.449 4.759 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.651 -2.935 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.040 -0.499 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.103 -1.280 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.663 -0.352 4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.613 -1.420 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.154 -1.326 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.629 -2.876 1.888 1.00 0.00 H new ATOM 639 N LYS A 43 -2.114 -2.467 6.956 1.00 0.00 N ATOM 640 CA LYS A 43 -2.667 -2.474 8.301 1.00 0.00 C ATOM 641 C LYS A 43 -3.903 -1.575 8.344 1.00 0.00 C ATOM 642 O LYS A 43 -4.965 -1.994 8.801 1.00 0.00 O ATOM 643 CB LYS A 43 -1.594 -2.095 9.323 1.00 0.00 C ATOM 644 CG LYS A 43 -2.209 -1.874 10.706 1.00 0.00 C ATOM 645 CD LYS A 43 -2.727 -3.188 11.292 1.00 0.00 C ATOM 646 CE LYS A 43 -1.934 -3.584 12.539 1.00 0.00 C ATOM 647 NZ LYS A 43 -2.321 -4.938 12.993 1.00 0.00 N ATOM 0 H LYS A 43 -1.259 -1.922 6.849 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.993 -3.478 8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.843 -2.883 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.082 -1.189 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.464 -1.442 11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.026 -1.157 10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.782 -3.086 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.653 -3.978 10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.866 -3.559 12.321 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.114 -2.862 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.773 -5.190 13.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.336 -4.951 13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.127 -5.626 12.238 1.00 0.00 H new ATOM 661 N SER A 44 -3.725 -0.353 7.862 1.00 0.00 N ATOM 662 CA SER A 44 -4.812 0.611 7.842 1.00 0.00 C ATOM 663 C SER A 44 -4.253 2.027 7.700 1.00 0.00 C ATOM 664 O SER A 44 -3.039 2.221 7.683 1.00 0.00 O ATOM 665 CB SER A 44 -5.669 0.501 9.105 1.00 0.00 C ATOM 666 OG SER A 44 -4.885 0.211 10.258 1.00 0.00 O ATOM 0 H SER A 44 -2.843 -0.009 7.482 1.00 0.00 H new ATOM 0 HA SER A 44 -5.448 0.392 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.209 1.435 9.259 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.417 -0.280 8.969 1.00 0.00 H new ATOM 0 HG SER A 44 -5.468 0.150 11.043 1.00 0.00 H new ATOM 672 N VAL A 45 -5.167 2.983 7.599 1.00 0.00 N ATOM 673 CA VAL A 45 -4.781 4.376 7.459 1.00 0.00 C ATOM 674 C VAL A 45 -4.663 5.009 8.846 1.00 0.00 C ATOM 675 O VAL A 45 -5.348 4.598 9.782 1.00 0.00 O ATOM 676 CB VAL A 45 -5.774 5.104 6.551 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.695 6.619 6.757 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.545 4.738 5.083 1.00 0.00 C ATOM 0 H VAL A 45 -6.174 2.819 7.611 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.805 4.457 6.981 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.778 4.780 6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.411 7.113 6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.930 6.858 7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.688 6.966 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.264 5.269 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.533 5.020 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.674 3.664 4.951 1.00 0.00 H new ATOM 688 N VAL A 46 -3.789 6.002 8.937 1.00 0.00 N ATOM 689 CA VAL A 46 -3.572 6.696 10.194 1.00 0.00 C ATOM 690 C VAL A 46 -4.835 7.476 10.565 1.00 0.00 C ATOM 691 O VAL A 46 -5.199 7.556 11.736 1.00 0.00 O ATOM 692 CB VAL A 46 -2.331 7.584 10.095 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.328 8.650 11.192 1.00 0.00 C ATOM 694 CG2 VAL A 46 -1.052 6.745 10.142 1.00 0.00 C ATOM 0 H VAL A 46 -3.223 6.342 8.159 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.382 5.982 10.996 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.362 8.095 9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.434 9.267 11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.214 9.277 11.092 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.334 8.167 12.169 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.184 7.400 10.070 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.013 6.193 11.081 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.047 6.043 9.308 1.00 0.00 H new ATOM 704 N LYS A 47 -5.471 8.031 9.544 1.00 0.00 N ATOM 705 CA LYS A 47 -6.686 8.803 9.748 1.00 0.00 C ATOM 706 C LYS A 47 -6.330 10.285 9.871 1.00 0.00 C ATOM 707 O LYS A 47 -7.003 11.032 10.580 1.00 0.00 O ATOM 708 CB LYS A 47 -7.473 8.257 10.943 1.00 0.00 C ATOM 709 CG LYS A 47 -8.957 8.605 10.826 1.00 0.00 C ATOM 710 CD LYS A 47 -9.666 7.667 9.846 1.00 0.00 C ATOM 711 CE LYS A 47 -10.892 8.342 9.231 1.00 0.00 C ATOM 712 NZ LYS A 47 -11.965 7.350 8.993 1.00 0.00 N ATOM 0 H LYS A 47 -5.168 7.962 8.572 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.348 8.705 8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.353 7.175 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.071 8.670 11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.429 8.536 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.067 9.637 10.491 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.975 7.371 9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.969 6.756 10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.254 9.126 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.617 8.822 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.790 7.825 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.621 6.616 8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.238 6.911 9.895 1.00 0.00 H new ATOM 726 N GLY A 48 -5.272 10.667 9.171 1.00 0.00 N ATOM 727 CA GLY A 48 -4.819 12.047 9.194 1.00 0.00 C ATOM 728 C GLY A 48 -3.786 12.302 8.094 1.00 0.00 C ATOM 729 O GLY A 48 -2.730 12.881 8.349 1.00 0.00 O ATOM 0 H GLY A 48 -4.716 10.045 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.670 12.715 9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.384 12.275 10.167 1.00 0.00 H new ATOM 733 N GLY A 49 -4.128 11.861 6.891 1.00 0.00 N ATOM 734 CA GLY A 49 -3.244 12.035 5.752 1.00 0.00 C ATOM 735 C GLY A 49 -4.041 12.347 4.483 1.00 0.00 C ATOM 736 O GLY A 49 -5.263 12.212 4.464 1.00 0.00 O ATOM 0 H GLY A 49 -5.005 11.384 6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.541 12.844 5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.655 11.130 5.603 1.00 0.00 H new ATOM 740 N ALA A 50 -3.317 12.760 3.453 1.00 0.00 N ATOM 741 CA ALA A 50 -3.940 13.093 2.184 1.00 0.00 C ATOM 742 C ALA A 50 -4.542 11.828 1.570 1.00 0.00 C ATOM 743 O ALA A 50 -5.749 11.755 1.342 1.00 0.00 O ATOM 744 CB ALA A 50 -2.910 13.754 1.267 1.00 0.00 C ATOM 0 H ALA A 50 -2.303 12.872 3.472 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.751 13.807 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.378 14.004 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.535 14.663 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.082 13.067 1.095 1.00 0.00 H new ATOM 750 N ALA A 51 -3.673 10.860 1.318 1.00 0.00 N ATOM 751 CA ALA A 51 -4.104 9.601 0.734 1.00 0.00 C ATOM 752 C ALA A 51 -4.888 8.801 1.777 1.00 0.00 C ATOM 753 O ALA A 51 -5.440 7.745 1.468 1.00 0.00 O ATOM 754 CB ALA A 51 -2.885 8.837 0.210 1.00 0.00 C ATOM 0 H ALA A 51 -2.673 10.922 1.507 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.767 9.778 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.208 7.893 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.379 9.435 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.198 8.639 1.033 1.00 0.00 H new ATOM 760 N ASP A 52 -4.913 9.335 2.989 1.00 0.00 N ATOM 761 CA ASP A 52 -5.620 8.684 4.079 1.00 0.00 C ATOM 762 C ASP A 52 -7.124 8.920 3.919 1.00 0.00 C ATOM 763 O ASP A 52 -7.906 7.971 3.898 1.00 0.00 O ATOM 764 CB ASP A 52 -5.194 9.257 5.432 1.00 0.00 C ATOM 765 CG ASP A 52 -6.344 9.586 6.386 1.00 0.00 C ATOM 766 OD1 ASP A 52 -7.222 8.710 6.539 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.319 10.705 6.940 1.00 0.00 O ATOM 0 H ASP A 52 -4.455 10.211 3.240 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.383 7.621 4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.531 8.543 5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.614 10.164 5.259 1.00 0.00 H new ATOM 772 N VAL A 53 -7.482 10.191 3.806 1.00 0.00 N ATOM 773 CA VAL A 53 -8.877 10.563 3.647 1.00 0.00 C ATOM 774 C VAL A 53 -9.282 10.395 2.181 1.00 0.00 C ATOM 775 O VAL A 53 -10.430 10.069 1.883 1.00 0.00 O ATOM 776 CB VAL A 53 -9.102 11.984 4.170 1.00 0.00 C ATOM 777 CG1 VAL A 53 -10.595 12.277 4.335 1.00 0.00 C ATOM 778 CG2 VAL A 53 -8.349 12.211 5.482 1.00 0.00 C ATOM 0 H VAL A 53 -6.830 10.975 3.821 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.517 9.907 4.238 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.704 12.680 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.727 13.293 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.094 12.176 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.028 11.571 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.526 13.228 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.702 11.503 6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.281 12.064 5.319 1.00 0.00 H new ATOM 788 N ASP A 54 -8.316 10.625 1.303 1.00 0.00 N ATOM 789 CA ASP A 54 -8.558 10.502 -0.125 1.00 0.00 C ATOM 790 C ASP A 54 -8.490 9.027 -0.525 1.00 0.00 C ATOM 791 O ASP A 54 -9.469 8.470 -1.020 1.00 0.00 O ATOM 792 CB ASP A 54 -7.498 11.260 -0.929 1.00 0.00 C ATOM 793 CG ASP A 54 -7.587 12.785 -0.840 1.00 0.00 C ATOM 794 OD1 ASP A 54 -7.217 13.314 0.231 1.00 0.00 O ATOM 795 OD2 ASP A 54 -8.022 13.387 -1.845 1.00 0.00 O ATOM 0 H ASP A 54 -7.365 10.896 1.553 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.542 10.921 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.512 10.948 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.579 10.967 -1.976 1.00 0.00 H new ATOM 800 N GLY A 55 -7.327 8.437 -0.293 1.00 0.00 N ATOM 801 CA GLY A 55 -7.120 7.038 -0.624 1.00 0.00 C ATOM 802 C GLY A 55 -8.252 6.170 -0.068 1.00 0.00 C ATOM 803 O GLY A 55 -8.917 5.458 -0.819 1.00 0.00 O ATOM 0 H GLY A 55 -6.519 8.902 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.065 6.921 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.166 6.702 -0.218 1.00 0.00 H new ATOM 807 N ARG A 56 -8.435 6.258 1.240 1.00 0.00 N ATOM 808 CA ARG A 56 -9.475 5.491 1.905 1.00 0.00 C ATOM 809 C ARG A 56 -9.315 4.001 1.593 1.00 0.00 C ATOM 810 O ARG A 56 -10.292 3.316 1.294 1.00 0.00 O ATOM 811 CB ARG A 56 -10.866 5.949 1.462 1.00 0.00 C ATOM 812 CG ARG A 56 -11.952 5.362 2.366 1.00 0.00 C ATOM 813 CD ARG A 56 -13.321 5.417 1.687 1.00 0.00 C ATOM 814 NE ARG A 56 -14.059 6.618 2.137 1.00 0.00 N ATOM 815 CZ ARG A 56 -15.162 7.090 1.538 1.00 0.00 C ATOM 816 NH1 ARG A 56 -15.659 6.463 0.464 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.766 8.187 2.015 1.00 0.00 N ATOM 0 H ARG A 56 -7.880 6.849 1.859 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.375 5.656 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.918 7.037 1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.042 5.643 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.706 4.329 2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.986 5.914 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.199 5.439 0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.891 4.519 1.925 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.707 7.118 2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.199 5.628 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.498 6.821 0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.387 8.663 2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.605 8.546 1.559 1.00 0.00 H new ATOM 831 N LEU A 57 -8.075 3.542 1.674 1.00 0.00 N ATOM 832 CA LEU A 57 -7.774 2.147 1.405 1.00 0.00 C ATOM 833 C LEU A 57 -8.335 1.281 2.536 1.00 0.00 C ATOM 834 O LEU A 57 -8.551 1.766 3.646 1.00 0.00 O ATOM 835 CB LEU A 57 -6.275 1.956 1.173 1.00 0.00 C ATOM 836 CG LEU A 57 -5.717 2.542 -0.126 1.00 0.00 C ATOM 837 CD1 LEU A 57 -4.188 2.525 -0.123 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.296 1.820 -1.346 1.00 0.00 C ATOM 0 H LEU A 57 -7.267 4.112 1.922 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.259 1.825 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.738 2.403 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.058 0.888 1.189 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.027 3.585 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.818 2.947 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.819 3.118 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.836 1.498 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.884 2.255 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.037 0.762 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.381 1.928 -1.352 1.00 0.00 H new ATOM 850 N ALA A 58 -8.555 0.016 2.216 1.00 0.00 N ATOM 851 CA ALA A 58 -9.087 -0.923 3.192 1.00 0.00 C ATOM 852 C ALA A 58 -7.936 -1.499 4.018 1.00 0.00 C ATOM 853 O ALA A 58 -6.770 -1.327 3.670 1.00 0.00 O ATOM 854 CB ALA A 58 -9.889 -2.008 2.471 1.00 0.00 C ATOM 0 H ALA A 58 -8.375 -0.383 1.295 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.766 -0.419 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.288 -2.712 3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.712 -1.549 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.240 -2.538 1.774 1.00 0.00 H new ATOM 860 N ALA A 59 -8.306 -2.173 5.098 1.00 0.00 N ATOM 861 CA ALA A 59 -7.318 -2.775 5.977 1.00 0.00 C ATOM 862 C ALA A 59 -7.217 -4.272 5.673 1.00 0.00 C ATOM 863 O ALA A 59 -8.189 -5.010 5.834 1.00 0.00 O ATOM 864 CB ALA A 59 -7.697 -2.501 7.433 1.00 0.00 C ATOM 0 H ALA A 59 -9.275 -2.315 5.384 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.335 -2.336 5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.956 -2.952 8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.728 -1.425 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.677 -2.930 7.641 1.00 0.00 H new ATOM 870 N GLY A 60 -6.033 -4.677 5.238 1.00 0.00 N ATOM 871 CA GLY A 60 -5.793 -6.071 4.910 1.00 0.00 C ATOM 872 C GLY A 60 -5.432 -6.232 3.431 1.00 0.00 C ATOM 873 O GLY A 60 -5.483 -7.337 2.894 1.00 0.00 O ATOM 0 H GLY A 60 -5.229 -4.063 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.985 -6.460 5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.681 -6.660 5.137 1.00 0.00 H new ATOM 877 N ASP A 61 -5.074 -5.114 2.818 1.00 0.00 N ATOM 878 CA ASP A 61 -4.705 -5.117 1.412 1.00 0.00 C ATOM 879 C ASP A 61 -3.310 -5.726 1.256 1.00 0.00 C ATOM 880 O ASP A 61 -2.331 -5.181 1.763 1.00 0.00 O ATOM 881 CB ASP A 61 -4.666 -3.695 0.849 1.00 0.00 C ATOM 882 CG ASP A 61 -5.678 -2.729 1.466 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.586 -3.226 2.166 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.522 -1.512 1.222 1.00 0.00 O ATOM 0 H ASP A 61 -5.031 -4.200 3.268 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.450 -5.699 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.664 -3.290 0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.839 -3.741 -0.226 1.00 0.00 H new ATOM 889 N GLN A 62 -3.265 -6.848 0.554 1.00 0.00 N ATOM 890 CA GLN A 62 -2.006 -7.538 0.325 1.00 0.00 C ATOM 891 C GLN A 62 -1.159 -6.772 -0.694 1.00 0.00 C ATOM 892 O GLN A 62 -1.515 -6.698 -1.870 1.00 0.00 O ATOM 893 CB GLN A 62 -2.244 -8.978 -0.131 1.00 0.00 C ATOM 894 CG GLN A 62 -1.011 -9.539 -0.841 1.00 0.00 C ATOM 895 CD GLN A 62 -1.194 -11.024 -1.168 1.00 0.00 C ATOM 896 OE1 GLN A 62 -2.097 -11.420 -1.887 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.289 -11.818 -0.604 1.00 0.00 N ATOM 0 H GLN A 62 -4.080 -7.297 0.136 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.459 -7.577 1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.487 -9.600 0.730 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.102 -9.014 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.830 -8.980 -1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.132 -9.408 -0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.441 -11.420 -0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.324 -12.825 -0.763 1.00 0.00 H new ATOM 906 N LEU A 63 -0.057 -6.222 -0.206 1.00 0.00 N ATOM 907 CA LEU A 63 0.843 -5.467 -1.060 1.00 0.00 C ATOM 908 C LEU A 63 1.924 -6.399 -1.609 1.00 0.00 C ATOM 909 O LEU A 63 2.232 -7.423 -1.002 1.00 0.00 O ATOM 910 CB LEU A 63 1.400 -4.253 -0.312 1.00 0.00 C ATOM 911 CG LEU A 63 2.548 -3.511 -0.996 1.00 0.00 C ATOM 912 CD1 LEU A 63 2.033 -2.293 -1.765 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.636 -3.133 0.012 1.00 0.00 C ATOM 0 H LEU A 63 0.233 -6.284 0.770 1.00 0.00 H new ATOM 0 HA LEU A 63 0.304 -5.065 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.585 -3.548 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.740 -4.581 0.670 1.00 0.00 H new ATOM 0 HG LEU A 63 3.002 -4.184 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.870 -1.783 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.324 -2.617 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.538 -1.610 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.440 -2.606 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.212 -2.487 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.032 -4.036 0.476 1.00 0.00 H new ATOM 925 N LEU A 64 2.469 -6.013 -2.752 1.00 0.00 N ATOM 926 CA LEU A 64 3.511 -6.802 -3.391 1.00 0.00 C ATOM 927 C LEU A 64 4.474 -5.868 -4.126 1.00 0.00 C ATOM 928 O LEU A 64 5.681 -6.101 -4.139 1.00 0.00 O ATOM 929 CB LEU A 64 2.893 -7.879 -4.285 1.00 0.00 C ATOM 930 CG LEU A 64 1.505 -8.374 -3.876 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.416 -7.417 -4.364 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.269 -9.805 -4.364 1.00 0.00 C ATOM 0 H LEU A 64 2.209 -5.164 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 64 4.097 -7.338 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.833 -7.489 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.569 -8.734 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 64 1.455 -8.391 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.561 -7.792 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.577 -6.430 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.455 -7.345 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.275 -10.134 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.345 -9.836 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.018 -10.466 -3.929 1.00 0.00 H new ATOM 944 N SER A 65 3.903 -4.830 -4.721 1.00 0.00 N ATOM 945 CA SER A 65 4.697 -3.862 -5.457 1.00 0.00 C ATOM 946 C SER A 65 4.703 -2.521 -4.719 1.00 0.00 C ATOM 947 O SER A 65 3.786 -2.225 -3.955 1.00 0.00 O ATOM 948 CB SER A 65 4.165 -3.681 -6.880 1.00 0.00 C ATOM 949 OG SER A 65 3.662 -2.366 -7.100 1.00 0.00 O ATOM 0 H SER A 65 2.901 -4.639 -4.708 1.00 0.00 H new ATOM 0 HA SER A 65 5.718 -4.238 -5.524 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.962 -3.888 -7.594 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.374 -4.407 -7.066 1.00 0.00 H new ATOM 0 HG SER A 65 3.482 -2.240 -8.055 1.00 0.00 H new ATOM 955 N VAL A 66 5.748 -1.746 -4.972 1.00 0.00 N ATOM 956 CA VAL A 66 5.884 -0.445 -4.342 1.00 0.00 C ATOM 957 C VAL A 66 6.068 0.623 -5.423 1.00 0.00 C ATOM 958 O VAL A 66 6.410 0.309 -6.561 1.00 0.00 O ATOM 959 CB VAL A 66 7.030 -0.473 -3.329 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.365 -0.142 -3.999 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.752 0.477 -2.161 1.00 0.00 C ATOM 0 H VAL A 66 6.508 -1.995 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 66 4.981 -0.193 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 66 7.099 -1.485 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.162 -0.169 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.572 -0.874 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.314 0.854 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.582 0.438 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.643 1.494 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.833 0.176 -1.658 1.00 0.00 H new ATOM 971 N ASP A 67 5.832 1.867 -5.026 1.00 0.00 N ATOM 972 CA ASP A 67 5.968 2.983 -5.946 1.00 0.00 C ATOM 973 C ASP A 67 7.448 3.204 -6.259 1.00 0.00 C ATOM 974 O ASP A 67 8.256 3.399 -5.351 1.00 0.00 O ATOM 975 CB ASP A 67 5.417 4.271 -5.332 1.00 0.00 C ATOM 976 CG ASP A 67 5.497 5.505 -6.236 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.279 5.444 -7.209 1.00 0.00 O ATOM 978 OD2 ASP A 67 4.775 6.478 -5.932 1.00 0.00 O ATOM 0 H ASP A 67 5.548 2.125 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 67 5.408 2.745 -6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.375 4.108 -5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.961 4.478 -4.411 1.00 0.00 H new ATOM 983 N GLY A 68 7.761 3.165 -7.547 1.00 0.00 N ATOM 984 CA GLY A 68 9.130 3.359 -7.990 1.00 0.00 C ATOM 985 C GLY A 68 9.862 2.020 -8.107 1.00 0.00 C ATOM 986 O GLY A 68 10.959 1.956 -8.660 1.00 0.00 O ATOM 0 H GLY A 68 7.089 3.002 -8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.136 3.866 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.656 4.005 -7.287 1.00 0.00 H new ATOM 990 N ARG A 69 9.226 0.986 -7.578 1.00 0.00 N ATOM 991 CA ARG A 69 9.804 -0.347 -7.618 1.00 0.00 C ATOM 992 C ARG A 69 8.699 -1.404 -7.652 1.00 0.00 C ATOM 993 O ARG A 69 7.896 -1.501 -6.724 1.00 0.00 O ATOM 994 CB ARG A 69 10.699 -0.594 -6.399 1.00 0.00 C ATOM 995 CG ARG A 69 12.063 0.071 -6.579 1.00 0.00 C ATOM 996 CD ARG A 69 12.929 -0.106 -5.329 1.00 0.00 C ATOM 997 NE ARG A 69 14.349 -0.258 -5.714 1.00 0.00 N ATOM 998 CZ ARG A 69 15.379 -0.081 -4.873 1.00 0.00 C ATOM 999 NH1 ARG A 69 15.150 0.257 -3.598 1.00 0.00 N ATOM 1000 NH2 ARG A 69 16.635 -0.241 -5.311 1.00 0.00 N ATOM 0 H ARG A 69 8.317 1.044 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 69 10.409 -0.420 -8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.216 -0.204 -5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.830 -1.666 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.571 -0.360 -7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.929 1.133 -6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.812 0.755 -4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.600 -0.982 -4.770 1.00 0.00 H new ATOM 0 HE ARG A 69 14.558 -0.513 -6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.193 0.380 -3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.932 0.392 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.807 -0.497 -6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.419 -0.107 -4.672 1.00 0.00 H new ATOM 1014 N SER A 70 8.691 -2.171 -8.732 1.00 0.00 N ATOM 1015 CA SER A 70 7.696 -3.217 -8.900 1.00 0.00 C ATOM 1016 C SER A 70 8.122 -4.471 -8.133 1.00 0.00 C ATOM 1017 O SER A 70 8.604 -5.435 -8.728 1.00 0.00 O ATOM 1018 CB SER A 70 7.487 -3.545 -10.380 1.00 0.00 C ATOM 1019 OG SER A 70 8.719 -3.801 -11.049 1.00 0.00 O ATOM 0 H SER A 70 9.358 -2.089 -9.500 1.00 0.00 H new ATOM 0 HA SER A 70 6.749 -2.857 -8.498 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.838 -4.416 -10.470 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.976 -2.714 -10.867 1.00 0.00 H new ATOM 0 HG SER A 70 9.228 -4.474 -10.550 1.00 0.00 H new ATOM 1025 N LEU A 71 7.930 -4.419 -6.823 1.00 0.00 N ATOM 1026 CA LEU A 71 8.288 -5.538 -5.970 1.00 0.00 C ATOM 1027 C LEU A 71 7.580 -6.800 -6.465 1.00 0.00 C ATOM 1028 O LEU A 71 8.215 -7.832 -6.676 1.00 0.00 O ATOM 1029 CB LEU A 71 7.999 -5.208 -4.503 1.00 0.00 C ATOM 1030 CG LEU A 71 9.088 -4.424 -3.765 1.00 0.00 C ATOM 1031 CD1 LEU A 71 9.032 -2.936 -4.127 1.00 0.00 C ATOM 1032 CD2 LEU A 71 8.998 -4.650 -2.255 1.00 0.00 C ATOM 0 H LEU A 71 7.531 -3.619 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 71 9.359 -5.730 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.072 -4.637 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.826 -6.142 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 71 10.059 -4.799 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.815 -2.401 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.181 -2.817 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.059 -2.530 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.782 -4.082 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.024 -4.318 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.123 -5.711 -2.038 1.00 0.00 H new ATOM 1044 N VAL A 72 6.271 -6.675 -6.638 1.00 0.00 N ATOM 1045 CA VAL A 72 5.470 -7.794 -7.106 1.00 0.00 C ATOM 1046 C VAL A 72 5.273 -8.790 -5.961 1.00 0.00 C ATOM 1047 O VAL A 72 4.531 -9.761 -6.098 1.00 0.00 O ATOM 1048 CB VAL A 72 6.118 -8.422 -8.340 1.00 0.00 C ATOM 1049 CG1 VAL A 72 6.975 -7.401 -9.089 1.00 0.00 C ATOM 1050 CG2 VAL A 72 6.939 -9.656 -7.961 1.00 0.00 C ATOM 0 H VAL A 72 5.747 -5.818 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 72 4.481 -7.453 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 72 5.320 -8.744 -9.009 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.424 -7.874 -9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.351 -6.567 -9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.762 -7.033 -8.430 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.389 -10.083 -8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.725 -9.370 -7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.289 -10.396 -7.493 1.00 0.00 H new ATOM 1060 N GLY A 73 5.954 -8.515 -4.858 1.00 0.00 N ATOM 1061 CA GLY A 73 5.865 -9.376 -3.690 1.00 0.00 C ATOM 1062 C GLY A 73 7.208 -9.452 -2.961 1.00 0.00 C ATOM 1063 O GLY A 73 7.741 -10.540 -2.749 1.00 0.00 O ATOM 0 H GLY A 73 6.569 -7.709 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.100 -8.997 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.555 -10.376 -3.994 1.00 0.00 H new ATOM 1067 N LEU A 74 7.714 -8.284 -2.597 1.00 0.00 N ATOM 1068 CA LEU A 74 8.986 -8.206 -1.897 1.00 0.00 C ATOM 1069 C LEU A 74 8.759 -7.614 -0.503 1.00 0.00 C ATOM 1070 O LEU A 74 7.653 -7.182 -0.180 1.00 0.00 O ATOM 1071 CB LEU A 74 10.012 -7.437 -2.733 1.00 0.00 C ATOM 1072 CG LEU A 74 10.789 -8.259 -3.761 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.776 -7.380 -4.532 1.00 0.00 C ATOM 1074 CD2 LEU A 74 11.481 -9.453 -3.098 1.00 0.00 C ATOM 0 H LEU A 74 7.268 -7.384 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 74 9.407 -9.202 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.495 -6.632 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.727 -6.970 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 74 10.080 -8.659 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.316 -7.989 -5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.232 -6.593 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.484 -6.931 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.027 -10.021 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.177 -9.095 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.733 -10.094 -2.631 1.00 0.00 H new ATOM 1086 N SER A 75 9.825 -7.612 0.284 1.00 0.00 N ATOM 1087 CA SER A 75 9.756 -7.079 1.634 1.00 0.00 C ATOM 1088 C SER A 75 9.672 -5.552 1.591 1.00 0.00 C ATOM 1089 O SER A 75 10.102 -4.930 0.622 1.00 0.00 O ATOM 1090 CB SER A 75 10.964 -7.521 2.462 1.00 0.00 C ATOM 1091 OG SER A 75 10.654 -8.618 3.317 1.00 0.00 O ATOM 0 H SER A 75 10.741 -7.971 0.013 1.00 0.00 H new ATOM 0 HA SER A 75 8.858 -7.472 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.778 -7.801 1.794 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.318 -6.683 3.062 1.00 0.00 H new ATOM 0 HG SER A 75 11.452 -8.871 3.827 1.00 0.00 H new ATOM 1097 N GLN A 76 9.113 -4.992 2.655 1.00 0.00 N ATOM 1098 CA GLN A 76 8.967 -3.550 2.751 1.00 0.00 C ATOM 1099 C GLN A 76 10.325 -2.894 3.004 1.00 0.00 C ATOM 1100 O GLN A 76 10.438 -1.670 3.003 1.00 0.00 O ATOM 1101 CB GLN A 76 7.964 -3.172 3.844 1.00 0.00 C ATOM 1102 CG GLN A 76 8.390 -3.742 5.198 1.00 0.00 C ATOM 1103 CD GLN A 76 9.745 -3.178 5.629 1.00 0.00 C ATOM 1104 OE1 GLN A 76 10.032 -2.000 5.485 1.00 0.00 O ATOM 1105 NE2 GLN A 76 10.561 -4.082 6.163 1.00 0.00 N ATOM 0 H GLN A 76 8.756 -5.511 3.457 1.00 0.00 H new ATOM 0 HA GLN A 76 8.578 -3.180 1.802 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.885 -2.087 3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.975 -3.548 3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.637 -3.504 5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.447 -4.829 5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.258 -5.052 6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.490 -3.806 6.481 1.00 0.00 H new ATOM 1114 N GLU A 77 11.325 -3.738 3.214 1.00 0.00 N ATOM 1115 CA GLU A 77 12.672 -3.255 3.467 1.00 0.00 C ATOM 1116 C GLU A 77 13.024 -2.130 2.495 1.00 0.00 C ATOM 1117 O GLU A 77 13.095 -0.966 2.887 1.00 0.00 O ATOM 1118 CB GLU A 77 13.689 -4.396 3.377 1.00 0.00 C ATOM 1119 CG GLU A 77 13.291 -5.560 4.288 1.00 0.00 C ATOM 1120 CD GLU A 77 14.291 -5.725 5.435 1.00 0.00 C ATOM 1121 OE1 GLU A 77 14.414 -4.765 6.225 1.00 0.00 O ATOM 1122 OE2 GLU A 77 14.910 -6.810 5.495 1.00 0.00 O ATOM 0 H GLU A 77 11.229 -4.753 3.214 1.00 0.00 H new ATOM 0 HA GLU A 77 12.710 -2.857 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.760 -4.744 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.677 -4.031 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.294 -5.386 4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.243 -6.481 3.707 1.00 0.00 H new ATOM 1129 N ARG A 78 13.236 -2.514 1.244 1.00 0.00 N ATOM 1130 CA ARG A 78 13.580 -1.551 0.213 1.00 0.00 C ATOM 1131 C ARG A 78 12.400 -0.612 -0.048 1.00 0.00 C ATOM 1132 O ARG A 78 12.559 0.610 -0.041 1.00 0.00 O ATOM 1133 CB ARG A 78 13.963 -2.252 -1.092 1.00 0.00 C ATOM 1134 CG ARG A 78 14.763 -3.526 -0.812 1.00 0.00 C ATOM 1135 CD ARG A 78 13.914 -4.774 -1.069 1.00 0.00 C ATOM 1136 NE ARG A 78 14.555 -5.956 -0.453 1.00 0.00 N ATOM 1137 CZ ARG A 78 15.501 -6.695 -1.050 1.00 0.00 C ATOM 1138 NH1 ARG A 78 15.921 -6.377 -2.280 1.00 0.00 N ATOM 1139 NH2 ARG A 78 16.024 -7.752 -0.414 1.00 0.00 N ATOM 0 H ARG A 78 13.176 -3.480 0.922 1.00 0.00 H new ATOM 0 HA ARG A 78 14.436 -0.977 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.063 -2.499 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.552 -1.577 -1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.650 -3.549 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.108 -3.523 0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.915 -4.636 -0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.798 -4.930 -2.141 1.00 0.00 H new ATOM 0 HE ARG A 78 14.259 -6.226 0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.521 -5.572 -2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.641 -6.939 -2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.702 -7.994 0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.744 -8.315 -0.867 1.00 0.00 H new ATOM 1153 N ALA A 79 11.242 -1.214 -0.274 1.00 0.00 N ATOM 1154 CA ALA A 79 10.038 -0.447 -0.537 1.00 0.00 C ATOM 1155 C ALA A 79 9.890 0.643 0.524 1.00 0.00 C ATOM 1156 O ALA A 79 10.234 1.800 0.285 1.00 0.00 O ATOM 1157 CB ALA A 79 8.832 -1.388 -0.579 1.00 0.00 C ATOM 0 H ALA A 79 11.113 -2.226 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 79 10.102 0.045 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.928 -0.812 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.973 -2.125 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.735 -1.898 0.379 1.00 0.00 H new ATOM 1163 N ALA A 80 9.377 0.237 1.678 1.00 0.00 N ATOM 1164 CA ALA A 80 9.180 1.166 2.776 1.00 0.00 C ATOM 1165 C ALA A 80 9.880 2.487 2.456 1.00 0.00 C ATOM 1166 O ALA A 80 9.228 3.472 2.112 1.00 0.00 O ATOM 1167 CB ALA A 80 9.690 0.537 4.075 1.00 0.00 C ATOM 0 H ALA A 80 9.093 -0.723 1.875 1.00 0.00 H new ATOM 0 HA ALA A 80 8.120 1.380 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.542 1.234 4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.140 -0.383 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.752 0.311 3.977 1.00 0.00 H new ATOM 1173 N GLU A 81 11.200 2.466 2.578 1.00 0.00 N ATOM 1174 CA GLU A 81 11.995 3.650 2.304 1.00 0.00 C ATOM 1175 C GLU A 81 11.500 4.342 1.031 1.00 0.00 C ATOM 1176 O GLU A 81 10.957 5.444 1.092 1.00 0.00 O ATOM 1177 CB GLU A 81 13.480 3.300 2.195 1.00 0.00 C ATOM 1178 CG GLU A 81 14.331 4.559 2.011 1.00 0.00 C ATOM 1179 CD GLU A 81 14.661 4.787 0.535 1.00 0.00 C ATOM 1180 OE1 GLU A 81 15.253 3.863 -0.063 1.00 0.00 O ATOM 1181 OE2 GLU A 81 14.315 5.881 0.038 1.00 0.00 O ATOM 0 H GLU A 81 11.738 1.647 2.863 1.00 0.00 H new ATOM 0 HA GLU A 81 11.878 4.342 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.799 2.770 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.637 2.625 1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 81 13.798 5.424 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 81 15.254 4.465 2.583 1.00 0.00 H new ATOM 1188 N LEU A 82 11.706 3.664 -0.088 1.00 0.00 N ATOM 1189 CA LEU A 82 11.286 4.199 -1.373 1.00 0.00 C ATOM 1190 C LEU A 82 9.761 4.138 -1.472 1.00 0.00 C ATOM 1191 O LEU A 82 9.196 4.334 -2.547 1.00 0.00 O ATOM 1192 CB LEU A 82 12.007 3.479 -2.515 1.00 0.00 C ATOM 1193 CG LEU A 82 12.224 4.294 -3.791 1.00 0.00 C ATOM 1194 CD1 LEU A 82 11.040 5.227 -4.054 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.551 5.053 -3.737 1.00 0.00 C ATOM 0 H LEU A 82 12.157 2.750 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 82 11.569 5.248 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.979 3.145 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.438 2.585 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 82 12.282 3.603 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.220 5.795 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.130 4.637 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.925 5.914 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.681 5.624 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.547 5.733 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.372 4.344 -3.632 1.00 0.00 H new ATOM 1207 N MET A 83 9.136 3.866 -0.336 1.00 0.00 N ATOM 1208 CA MET A 83 7.686 3.776 -0.283 1.00 0.00 C ATOM 1209 C MET A 83 7.107 4.830 0.663 1.00 0.00 C ATOM 1210 O MET A 83 5.895 5.035 0.701 1.00 0.00 O ATOM 1211 CB MET A 83 7.279 2.381 0.196 1.00 0.00 C ATOM 1212 CG MET A 83 5.798 2.116 -0.085 1.00 0.00 C ATOM 1213 SD MET A 83 5.368 0.461 0.426 1.00 0.00 S ATOM 1214 CE MET A 83 5.208 0.710 2.184 1.00 0.00 C ATOM 0 H MET A 83 9.606 3.705 0.555 1.00 0.00 H new ATOM 0 HA MET A 83 7.292 3.956 -1.283 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.888 1.628 -0.305 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.472 2.289 1.265 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.183 2.841 0.447 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.592 2.242 -1.148 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.453 -0.215 2.706 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.890 1.498 2.503 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.184 0.999 2.419 1.00 0.00 H new ATOM 1224 N THR A 84 8.000 5.472 1.402 1.00 0.00 N ATOM 1225 CA THR A 84 7.593 6.499 2.345 1.00 0.00 C ATOM 1226 C THR A 84 7.818 7.890 1.748 1.00 0.00 C ATOM 1227 O THR A 84 6.937 8.746 1.809 1.00 0.00 O ATOM 1228 CB THR A 84 8.352 6.268 3.654 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.392 4.851 3.786 1.00 0.00 O ATOM 1230 CG2 THR A 84 7.561 6.736 4.878 1.00 0.00 C ATOM 0 H THR A 84 9.005 5.300 1.366 1.00 0.00 H new ATOM 0 HA THR A 84 6.526 6.440 2.558 1.00 0.00 H new ATOM 0 HB THR A 84 9.308 6.791 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.138 4.494 3.260 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.143 6.550 5.780 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.356 7.803 4.792 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.620 6.189 4.934 1.00 0.00 H new ATOM 1238 N ARG A 85 9.004 8.071 1.185 1.00 0.00 N ATOM 1239 CA ARG A 85 9.357 9.343 0.577 1.00 0.00 C ATOM 1240 C ARG A 85 8.489 9.601 -0.658 1.00 0.00 C ATOM 1241 O ARG A 85 9.007 9.752 -1.763 1.00 0.00 O ATOM 1242 CB ARG A 85 10.831 9.369 0.171 1.00 0.00 C ATOM 1243 CG ARG A 85 11.346 10.805 0.066 1.00 0.00 C ATOM 1244 CD ARG A 85 12.871 10.834 -0.063 1.00 0.00 C ATOM 1245 NE ARG A 85 13.261 10.656 -1.480 1.00 0.00 N ATOM 1246 CZ ARG A 85 13.387 9.466 -2.079 1.00 0.00 C ATOM 1247 NH1 ARG A 85 13.153 8.339 -1.391 1.00 0.00 N ATOM 1248 NH2 ARG A 85 13.747 9.398 -3.370 1.00 0.00 N ATOM 0 H ARG A 85 9.732 7.358 1.137 1.00 0.00 H new ATOM 0 HA ARG A 85 9.182 10.124 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.423 8.819 0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.957 8.863 -0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.895 11.294 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.041 11.370 0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.258 11.781 0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.311 10.045 0.546 1.00 0.00 H new ATOM 0 HE ARG A 85 13.445 11.492 -2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.879 8.388 -0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.249 7.433 -1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.925 10.254 -3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.843 8.490 -3.826 1.00 0.00 H new ATOM 1262 N THR A 86 7.186 9.642 -0.426 1.00 0.00 N ATOM 1263 CA THR A 86 6.243 9.880 -1.506 1.00 0.00 C ATOM 1264 C THR A 86 6.069 11.381 -1.743 1.00 0.00 C ATOM 1265 O THR A 86 6.231 11.858 -2.866 1.00 0.00 O ATOM 1266 CB THR A 86 4.936 9.164 -1.158 1.00 0.00 C ATOM 1267 OG1 THR A 86 4.931 8.017 -2.002 1.00 0.00 O ATOM 1268 CG2 THR A 86 3.701 9.954 -1.596 1.00 0.00 C ATOM 0 H THR A 86 6.761 9.515 0.492 1.00 0.00 H new ATOM 0 HA THR A 86 6.612 9.476 -2.449 1.00 0.00 H new ATOM 0 HB THR A 86 4.894 8.990 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.840 8.299 -2.936 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.801 9.402 -1.325 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.695 10.924 -1.099 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.726 10.100 -2.676 1.00 0.00 H new ATOM 1276 N SER A 87 5.741 12.083 -0.669 1.00 0.00 N ATOM 1277 CA SER A 87 5.545 13.521 -0.745 1.00 0.00 C ATOM 1278 C SER A 87 5.013 13.903 -2.129 1.00 0.00 C ATOM 1279 O SER A 87 5.523 14.827 -2.758 1.00 0.00 O ATOM 1280 CB SER A 87 6.844 14.272 -0.449 1.00 0.00 C ATOM 1281 OG SER A 87 6.963 14.609 0.930 1.00 0.00 O ATOM 0 H SER A 87 5.606 11.683 0.259 1.00 0.00 H new ATOM 0 HA SER A 87 4.814 13.807 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.694 13.658 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.882 15.181 -1.049 1.00 0.00 H new ATOM 0 HG SER A 87 7.806 15.086 1.079 1.00 0.00 H new ATOM 1287 N SER A 88 3.997 13.171 -2.561 1.00 0.00 N ATOM 1288 CA SER A 88 3.391 13.422 -3.857 1.00 0.00 C ATOM 1289 C SER A 88 2.329 12.362 -4.151 1.00 0.00 C ATOM 1290 O SER A 88 1.138 12.669 -4.205 1.00 0.00 O ATOM 1291 CB SER A 88 4.448 13.437 -4.963 1.00 0.00 C ATOM 1292 OG SER A 88 5.005 14.733 -5.153 1.00 0.00 O ATOM 0 H SER A 88 3.578 12.403 -2.036 1.00 0.00 H new ATOM 0 HA SER A 88 2.917 14.403 -3.831 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.243 12.734 -4.714 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.001 13.095 -5.896 1.00 0.00 H new ATOM 0 HG SER A 88 5.096 15.180 -4.286 1.00 0.00 H new ATOM 1298 N VAL A 89 2.796 11.136 -4.337 1.00 0.00 N ATOM 1299 CA VAL A 89 1.899 10.030 -4.624 1.00 0.00 C ATOM 1300 C VAL A 89 2.533 8.725 -4.138 1.00 0.00 C ATOM 1301 O VAL A 89 3.755 8.630 -4.024 1.00 0.00 O ATOM 1302 CB VAL A 89 1.558 10.007 -6.116 1.00 0.00 C ATOM 1303 CG1 VAL A 89 2.811 9.784 -6.963 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.495 8.948 -6.419 1.00 0.00 C ATOM 0 H VAL A 89 3.784 10.885 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 89 0.957 10.154 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 89 1.146 10.981 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.539 9.772 -8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.522 10.590 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.267 8.831 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.271 8.952 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.868 7.965 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.412 9.171 -5.857 1.00 0.00 H new ATOM 1314 N VAL A 90 1.675 7.754 -3.863 1.00 0.00 N ATOM 1315 CA VAL A 90 2.138 6.459 -3.391 1.00 0.00 C ATOM 1316 C VAL A 90 1.493 5.356 -4.233 1.00 0.00 C ATOM 1317 O VAL A 90 0.398 4.891 -3.920 1.00 0.00 O ATOM 1318 CB VAL A 90 1.851 6.315 -1.895 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.139 6.419 -1.078 1.00 0.00 C ATOM 1320 CG2 VAL A 90 0.821 7.349 -1.432 1.00 0.00 C ATOM 0 H VAL A 90 0.663 7.837 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 90 3.218 6.371 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 90 1.428 5.324 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.907 6.313 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.826 5.628 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.603 7.389 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.635 7.225 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.203 8.352 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.110 7.207 -1.981 1.00 0.00 H new ATOM 1330 N THR A 91 2.201 4.966 -5.284 1.00 0.00 N ATOM 1331 CA THR A 91 1.713 3.927 -6.171 1.00 0.00 C ATOM 1332 C THR A 91 2.263 2.562 -5.749 1.00 0.00 C ATOM 1333 O THR A 91 3.459 2.303 -5.888 1.00 0.00 O ATOM 1334 CB THR A 91 2.083 4.315 -7.604 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.371 4.913 -7.479 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.202 5.439 -8.151 1.00 0.00 C ATOM 0 H THR A 91 3.110 5.353 -5.540 1.00 0.00 H new ATOM 0 HA THR A 91 0.628 3.837 -6.114 1.00 0.00 H new ATOM 0 HB THR A 91 2.000 3.441 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.689 5.194 -8.363 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.506 5.676 -9.171 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.160 5.119 -8.148 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.311 6.324 -7.525 1.00 0.00 H new ATOM 1344 N LEU A 92 1.368 1.728 -5.245 1.00 0.00 N ATOM 1345 CA LEU A 92 1.749 0.397 -4.803 1.00 0.00 C ATOM 1346 C LEU A 92 0.723 -0.618 -5.308 1.00 0.00 C ATOM 1347 O LEU A 92 -0.408 -0.256 -5.628 1.00 0.00 O ATOM 1348 CB LEU A 92 1.944 0.371 -3.285 1.00 0.00 C ATOM 1349 CG LEU A 92 1.770 1.710 -2.565 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.478 1.499 -1.078 1.00 0.00 C ATOM 1351 CD2 LEU A 92 2.984 2.615 -2.789 1.00 0.00 C ATOM 0 H LEU A 92 0.378 1.947 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 92 2.712 0.116 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.238 -0.342 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.945 -0.006 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 92 0.906 2.219 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.359 2.466 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.561 0.920 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.306 0.960 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.835 3.560 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.879 2.125 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.104 2.805 -3.856 1.00 0.00 H new ATOM 1363 N GLU A 93 1.155 -1.869 -5.366 1.00 0.00 N ATOM 1364 CA GLU A 93 0.287 -2.941 -5.827 1.00 0.00 C ATOM 1365 C GLU A 93 -0.284 -3.712 -4.635 1.00 0.00 C ATOM 1366 O GLU A 93 0.450 -4.407 -3.933 1.00 0.00 O ATOM 1367 CB GLU A 93 1.031 -3.876 -6.780 1.00 0.00 C ATOM 1368 CG GLU A 93 0.054 -4.615 -7.698 1.00 0.00 C ATOM 1369 CD GLU A 93 -0.112 -6.072 -7.261 1.00 0.00 C ATOM 1370 OE1 GLU A 93 -0.974 -6.308 -6.388 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.626 -6.918 -7.812 1.00 0.00 O ATOM 0 H GLU A 93 2.095 -2.165 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.543 -2.499 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.737 -3.302 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.613 -4.597 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.914 -4.114 -7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.416 -4.579 -8.725 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.586 -3.562 -4.444 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.263 -4.237 -3.349 1.00 0.00 C ATOM 1380 C VAL A 94 -3.220 -5.288 -3.916 1.00 0.00 C ATOM 1381 O VAL A 94 -3.469 -5.320 -5.120 1.00 0.00 O ATOM 1382 CB VAL A 94 -2.965 -3.211 -2.457 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -1.947 -2.316 -1.747 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -3.965 -2.378 -3.260 1.00 0.00 C ATOM 0 H VAL A 94 -2.190 -2.984 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.543 -4.759 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.522 -3.755 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.471 -1.595 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.293 -2.929 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.350 -1.785 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.449 -1.657 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.441 -1.848 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.718 -3.034 -3.696 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.729 -6.124 -3.023 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.651 -7.173 -3.419 1.00 0.00 C ATOM 1396 C ALA A 95 -5.776 -7.274 -2.387 1.00 0.00 C ATOM 1397 O ALA A 95 -5.524 -7.537 -1.212 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.888 -8.489 -3.582 1.00 0.00 C ATOM 0 H ALA A 95 -3.519 -6.095 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.107 -6.940 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.580 -9.277 -3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.121 -8.372 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.418 -8.757 -2.636 1.00 0.00 H new