USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 637 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 14 HIS : no HD1:sc= -4.71! C(o=-4.7!,f=-11!) USER MOD Set 1.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00486 X(o=-0.0049,f=-0.0032) USER MOD Single : A 24 GLN : amide:sc=-0.00847 X(o=-0.0085,f=-0.014) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 38 SER OG : rot 47:sc= 0.344 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00388 USER MOD Single : A 46 TYR OH : rot 50:sc= -2.03 USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= -0.0976 (180deg=-0.573) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 53:sc= 0.575 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0974 X(o=-0.097,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 82 THR OG1 : rot 171:sc= -1.54 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0741 X(o=-0.074,f=-0.44) USER MOD Single : A 92 ASN : amide:sc= -0.0051 X(o=-0.0051,f=-0.3) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -5.245 -18.043 4.277 1.00 0.00 N ATOM 151 CA HIS A 14 -3.868 -18.068 3.814 1.00 0.00 C ATOM 152 C HIS A 14 -3.033 -17.081 4.631 1.00 0.00 C ATOM 153 O HIS A 14 -3.502 -15.994 4.965 1.00 0.00 O ATOM 154 CB HIS A 14 -3.795 -17.802 2.309 1.00 0.00 C ATOM 155 CG HIS A 14 -2.601 -18.429 1.631 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.392 -17.772 1.484 1.00 0.00 N ATOM 157 CD2 HIS A 14 -2.442 -19.659 1.063 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.551 -18.579 0.854 1.00 0.00 C ATOM 159 NE2 HIS A 14 -1.204 -19.748 0.593 1.00 0.00 N ATOM 0 HA HIS A 14 -3.447 -19.062 3.969 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.705 -18.177 1.840 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.771 -16.725 2.142 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.196 -20.430 1.005 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.472 -18.351 0.593 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.806 -20.557 0.115 1.00 0.00 H new ATOM 167 N PRO A 15 -1.778 -17.505 4.938 1.00 0.00 N ATOM 168 CA PRO A 15 -0.873 -16.670 5.710 1.00 0.00 C ATOM 169 C PRO A 15 -0.316 -15.530 4.856 1.00 0.00 C ATOM 170 O PRO A 15 0.172 -14.533 5.387 1.00 0.00 O ATOM 171 CB PRO A 15 0.205 -17.618 6.212 1.00 0.00 C ATOM 172 CG PRO A 15 0.123 -18.849 5.325 1.00 0.00 C ATOM 173 CD PRO A 15 -1.189 -18.786 4.559 1.00 0.00 C ATOM 0 HA PRO A 15 -1.368 -16.173 6.544 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.191 -17.157 6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.040 -17.878 7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.966 -18.879 4.635 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.170 -19.757 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.023 -18.843 3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.843 -19.617 4.825 1.00 0.00 H new ATOM 181 N SER A 16 -0.407 -15.714 3.547 1.00 0.00 N ATOM 182 CA SER A 16 0.082 -14.713 2.614 1.00 0.00 C ATOM 183 C SER A 16 -1.020 -13.695 2.315 1.00 0.00 C ATOM 184 O SER A 16 -0.736 -12.569 1.909 1.00 0.00 O ATOM 185 CB SER A 16 0.572 -15.361 1.318 1.00 0.00 C ATOM 186 OG SER A 16 1.571 -16.349 1.559 1.00 0.00 O ATOM 0 H SER A 16 -0.812 -16.542 3.110 1.00 0.00 H new ATOM 0 HA SER A 16 0.927 -14.200 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.271 -15.817 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.974 -14.592 0.658 1.00 0.00 H new ATOM 0 HG SER A 16 1.856 -16.740 0.707 1.00 0.00 H new ATOM 192 N ILE A 17 -2.254 -14.127 2.526 1.00 0.00 N ATOM 193 CA ILE A 17 -3.400 -13.267 2.284 1.00 0.00 C ATOM 194 C ILE A 17 -3.680 -12.433 3.536 1.00 0.00 C ATOM 195 O ILE A 17 -3.871 -11.221 3.450 1.00 0.00 O ATOM 196 CB ILE A 17 -4.600 -14.092 1.813 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.338 -14.701 0.435 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.882 -13.258 1.838 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.373 -13.628 -0.655 1.00 0.00 C ATOM 0 H ILE A 17 -2.486 -15.062 2.862 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.187 -12.567 1.476 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.741 -14.919 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.367 -15.197 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.086 -15.464 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.719 -13.868 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.072 -12.914 2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.769 -12.398 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.184 -14.088 -1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.353 -13.151 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.607 -12.879 -0.453 1.00 0.00 H new ATOM 211 N SER A 18 -3.697 -13.116 4.671 1.00 0.00 N ATOM 212 CA SER A 18 -3.951 -12.454 5.940 1.00 0.00 C ATOM 213 C SER A 18 -2.951 -11.315 6.145 1.00 0.00 C ATOM 214 O SER A 18 -3.209 -10.388 6.911 1.00 0.00 O ATOM 215 CB SER A 18 -3.874 -13.445 7.103 1.00 0.00 C ATOM 216 OG SER A 18 -4.190 -12.830 8.349 1.00 0.00 O ATOM 0 H SER A 18 -3.539 -14.121 4.739 1.00 0.00 H new ATOM 0 HA SER A 18 -4.960 -12.042 5.916 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.561 -14.271 6.922 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.871 -13.870 7.152 1.00 0.00 H new ATOM 0 HG SER A 18 -4.131 -13.495 9.066 1.00 0.00 H new ATOM 222 N ARG A 19 -1.830 -11.422 5.447 1.00 0.00 N ATOM 223 CA ARG A 19 -0.789 -10.412 5.543 1.00 0.00 C ATOM 224 C ARG A 19 -1.139 -9.205 4.670 1.00 0.00 C ATOM 225 O ARG A 19 -1.060 -8.064 5.122 1.00 0.00 O ATOM 226 CB ARG A 19 0.565 -10.974 5.105 1.00 0.00 C ATOM 227 CG ARG A 19 1.636 -9.881 5.100 1.00 0.00 C ATOM 228 CD ARG A 19 2.222 -9.680 6.499 1.00 0.00 C ATOM 229 NE ARG A 19 3.601 -10.215 6.552 1.00 0.00 N ATOM 230 CZ ARG A 19 4.295 -10.393 7.684 1.00 0.00 C ATOM 231 NH1 ARG A 19 3.743 -10.079 8.864 1.00 0.00 N ATOM 232 NH2 ARG A 19 5.541 -10.884 7.637 1.00 0.00 N ATOM 0 H ARG A 19 -1.620 -12.192 4.813 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.721 -10.103 6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.864 -11.778 5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.478 -11.408 4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.431 -10.149 4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.204 -8.945 4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.224 -8.620 6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.599 -10.183 7.239 1.00 0.00 H new ATOM 0 HE ARG A 19 4.051 -10.464 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.795 -9.705 8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.271 -10.214 9.726 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.962 -11.122 6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.069 -11.019 8.499 1.00 0.00 H new ATOM 246 N LEU A 20 -1.518 -9.498 3.435 1.00 0.00 N ATOM 247 CA LEU A 20 -1.880 -8.451 2.495 1.00 0.00 C ATOM 248 C LEU A 20 -3.058 -7.653 3.056 1.00 0.00 C ATOM 249 O LEU A 20 -3.078 -6.426 2.973 1.00 0.00 O ATOM 250 CB LEU A 20 -2.142 -9.043 1.108 1.00 0.00 C ATOM 251 CG LEU A 20 -0.943 -9.084 0.159 1.00 0.00 C ATOM 252 CD1 LEU A 20 -1.182 -10.073 -0.984 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.602 -7.684 -0.356 1.00 0.00 C ATOM 0 H LEU A 20 -1.582 -10.446 3.063 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.054 -7.752 2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.516 -10.059 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.936 -8.467 0.633 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.078 -9.440 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.315 -10.083 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.338 -11.071 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.064 -9.770 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.254 -7.742 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.458 -7.275 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.359 -7.036 0.486 1.00 0.00 H new ATOM 265 N GLN A 21 -4.013 -8.383 3.614 1.00 0.00 N ATOM 266 CA GLN A 21 -5.193 -7.758 4.189 1.00 0.00 C ATOM 267 C GLN A 21 -4.787 -6.737 5.254 1.00 0.00 C ATOM 268 O GLN A 21 -5.450 -5.715 5.424 1.00 0.00 O ATOM 269 CB GLN A 21 -6.141 -8.809 4.770 1.00 0.00 C ATOM 270 CG GLN A 21 -7.206 -9.210 3.747 1.00 0.00 C ATOM 271 CD GLN A 21 -8.352 -9.970 4.419 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.070 -9.449 5.256 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.482 -11.228 4.006 1.00 0.00 N ATOM 0 H GLN A 21 -3.994 -9.401 3.680 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.726 -7.234 3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.573 -9.689 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.622 -8.415 5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.595 -8.319 3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.756 -9.832 2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.846 -11.602 3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.217 -11.819 4.394 1.00 0.00 H new ATOM 282 N GLU A 22 -3.700 -7.049 5.944 1.00 0.00 N ATOM 283 CA GLU A 22 -3.198 -6.172 6.987 1.00 0.00 C ATOM 284 C GLU A 22 -2.448 -4.989 6.371 1.00 0.00 C ATOM 285 O GLU A 22 -2.500 -3.876 6.894 1.00 0.00 O ATOM 286 CB GLU A 22 -2.305 -6.938 7.966 1.00 0.00 C ATOM 287 CG GLU A 22 -2.993 -7.103 9.322 1.00 0.00 C ATOM 288 CD GLU A 22 -2.492 -6.059 10.322 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.956 -4.903 10.215 1.00 0.00 O ATOM 290 OE2 GLU A 22 -1.658 -6.441 11.171 1.00 0.00 O ATOM 0 H GLU A 22 -3.153 -7.898 5.801 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.048 -5.785 7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.065 -7.918 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.362 -6.407 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.072 -7.007 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.804 -8.104 9.710 1.00 0.00 H new ATOM 297 N ILE A 23 -1.768 -5.269 5.269 1.00 0.00 N ATOM 298 CA ILE A 23 -1.009 -4.243 4.577 1.00 0.00 C ATOM 299 C ILE A 23 -1.975 -3.281 3.883 1.00 0.00 C ATOM 300 O ILE A 23 -1.734 -2.075 3.842 1.00 0.00 O ATOM 301 CB ILE A 23 0.012 -4.878 3.631 1.00 0.00 C ATOM 302 CG1 ILE A 23 1.274 -5.299 4.388 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.331 -3.944 2.461 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.723 -6.700 3.968 1.00 0.00 C ATOM 0 H ILE A 23 -1.727 -6.193 4.838 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.428 -3.655 5.287 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.429 -5.782 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.074 -4.584 4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.082 -5.281 5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.059 -4.420 1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.581 -3.737 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.743 -3.010 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.621 -6.975 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.930 -7.416 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.938 -6.708 2.899 1.00 0.00 H new ATOM 316 N GLN A 24 -3.048 -3.850 3.354 1.00 0.00 N ATOM 317 CA GLN A 24 -4.052 -3.057 2.663 1.00 0.00 C ATOM 318 C GLN A 24 -4.734 -2.097 3.639 1.00 0.00 C ATOM 319 O GLN A 24 -4.580 -0.881 3.529 1.00 0.00 O ATOM 320 CB GLN A 24 -5.078 -3.956 1.971 1.00 0.00 C ATOM 321 CG GLN A 24 -4.612 -4.340 0.565 1.00 0.00 C ATOM 322 CD GLN A 24 -5.801 -4.479 -0.388 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.813 -5.083 -0.074 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.622 -3.889 -1.566 1.00 0.00 N ATOM 0 H GLN A 24 -3.245 -4.850 3.390 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.555 -2.468 1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.236 -4.857 2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.037 -3.441 1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.925 -3.583 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.061 -5.280 0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.749 -3.399 -1.764 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.357 -3.926 -2.272 1.00 0.00 H new ATOM 333 N ARG A 25 -5.472 -2.678 4.573 1.00 0.00 N ATOM 334 CA ARG A 25 -6.178 -1.889 5.568 1.00 0.00 C ATOM 335 C ARG A 25 -5.276 -0.772 6.097 1.00 0.00 C ATOM 336 O ARG A 25 -5.763 0.274 6.523 1.00 0.00 O ATOM 337 CB ARG A 25 -6.638 -2.761 6.738 1.00 0.00 C ATOM 338 CG ARG A 25 -5.441 -3.344 7.491 1.00 0.00 C ATOM 339 CD ARG A 25 -5.860 -3.868 8.866 1.00 0.00 C ATOM 340 NE ARG A 25 -6.240 -5.295 8.770 1.00 0.00 N ATOM 341 CZ ARG A 25 -6.906 -5.961 9.722 1.00 0.00 C ATOM 342 NH1 ARG A 25 -7.271 -5.333 10.848 1.00 0.00 N ATOM 343 NH2 ARG A 25 -7.208 -7.255 9.549 1.00 0.00 N ATOM 0 H ARG A 25 -5.596 -3.686 4.662 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.055 -1.456 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.248 -2.168 7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.268 -3.570 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.000 -4.153 6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.673 -2.579 7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.041 -3.748 9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.699 -3.285 9.246 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.978 -5.803 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.042 -4.348 10.980 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.778 -5.840 11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.931 -7.733 8.692 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.715 -7.762 10.274 1.00 0.00 H new ATOM 357 N GLU A 26 -3.978 -1.033 6.053 1.00 0.00 N ATOM 358 CA GLU A 26 -3.004 -0.062 6.522 1.00 0.00 C ATOM 359 C GLU A 26 -2.888 1.097 5.530 1.00 0.00 C ATOM 360 O GLU A 26 -3.326 2.210 5.818 1.00 0.00 O ATOM 361 CB GLU A 26 -1.643 -0.721 6.756 1.00 0.00 C ATOM 362 CG GLU A 26 -1.634 -1.513 8.065 1.00 0.00 C ATOM 363 CD GLU A 26 -0.915 -0.736 9.171 1.00 0.00 C ATOM 364 OE1 GLU A 26 0.320 -0.898 9.267 1.00 0.00 O ATOM 365 OE2 GLU A 26 -1.618 0.002 9.895 1.00 0.00 O ATOM 0 H GLU A 26 -3.578 -1.902 5.700 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.348 0.336 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.409 -1.385 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.865 0.042 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.658 -1.726 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.141 -2.473 7.910 1.00 0.00 H new ATOM 372 N VAL A 27 -2.297 0.796 4.384 1.00 0.00 N ATOM 373 CA VAL A 27 -2.118 1.800 3.348 1.00 0.00 C ATOM 374 C VAL A 27 -3.460 2.479 3.065 1.00 0.00 C ATOM 375 O VAL A 27 -3.499 3.639 2.659 1.00 0.00 O ATOM 376 CB VAL A 27 -1.497 1.162 2.104 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.294 0.293 2.475 1.00 0.00 C ATOM 378 CG2 VAL A 27 -2.536 0.355 1.324 1.00 0.00 C ATOM 0 H VAL A 27 -1.936 -0.129 4.149 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.426 2.574 3.681 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.143 1.965 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.128 -0.148 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.461 0.907 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.613 -0.500 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.068 -0.088 0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.935 -0.436 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.347 1.012 1.011 1.00 0.00 H new ATOM 388 N LYS A 28 -4.527 1.726 3.292 1.00 0.00 N ATOM 389 CA LYS A 28 -5.867 2.241 3.066 1.00 0.00 C ATOM 390 C LYS A 28 -6.255 3.163 4.224 1.00 0.00 C ATOM 391 O LYS A 28 -6.822 4.233 4.006 1.00 0.00 O ATOM 392 CB LYS A 28 -6.851 1.092 2.839 1.00 0.00 C ATOM 393 CG LYS A 28 -8.161 1.603 2.235 1.00 0.00 C ATOM 394 CD LYS A 28 -8.595 0.735 1.052 1.00 0.00 C ATOM 395 CE LYS A 28 -8.650 1.554 -0.239 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.297 0.777 -1.319 1.00 0.00 N ATOM 0 H LYS A 28 -4.491 0.764 3.630 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.897 2.840 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.404 0.352 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.054 0.590 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.941 1.603 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.036 2.635 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.899 -0.095 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.575 0.302 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.202 2.478 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.641 1.837 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.326 1.348 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.754 -0.093 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.266 0.529 -1.035 1.00 0.00 H new ATOM 410 N ALA A 29 -5.935 2.715 5.429 1.00 0.00 N ATOM 411 CA ALA A 29 -6.244 3.486 6.621 1.00 0.00 C ATOM 412 C ALA A 29 -5.437 4.786 6.605 1.00 0.00 C ATOM 413 O ALA A 29 -5.751 5.725 7.334 1.00 0.00 O ATOM 414 CB ALA A 29 -5.962 2.640 7.864 1.00 0.00 C ATOM 0 H ALA A 29 -5.465 1.827 5.605 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.300 3.754 6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.194 3.219 8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.581 1.743 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.910 2.355 7.879 1.00 0.00 H new ATOM 420 N ILE A 30 -4.412 4.798 5.765 1.00 0.00 N ATOM 421 CA ILE A 30 -3.557 5.967 5.645 1.00 0.00 C ATOM 422 C ILE A 30 -3.773 6.613 4.274 1.00 0.00 C ATOM 423 O ILE A 30 -3.008 7.486 3.868 1.00 0.00 O ATOM 424 CB ILE A 30 -2.100 5.597 5.927 1.00 0.00 C ATOM 425 CG1 ILE A 30 -1.565 4.630 4.869 1.00 0.00 C ATOM 426 CG2 ILE A 30 -1.940 5.042 7.344 1.00 0.00 C ATOM 427 CD1 ILE A 30 -0.849 5.386 3.748 1.00 0.00 C ATOM 0 H ILE A 30 -4.155 4.017 5.161 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.823 6.712 6.395 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.499 6.504 5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.877 3.922 5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.388 4.049 4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.895 4.787 7.519 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.256 5.794 8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.555 4.149 7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.478 4.676 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.546 6.075 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.012 5.947 4.164 1.00 0.00 H new ATOM 439 N GLU A 31 -4.819 6.158 3.600 1.00 0.00 N ATOM 440 CA GLU A 31 -5.145 6.680 2.284 1.00 0.00 C ATOM 441 C GLU A 31 -5.721 8.092 2.401 1.00 0.00 C ATOM 442 O GLU A 31 -5.373 8.975 1.619 1.00 0.00 O ATOM 443 CB GLU A 31 -6.114 5.751 1.550 1.00 0.00 C ATOM 444 CG GLU A 31 -6.670 6.421 0.292 1.00 0.00 C ATOM 445 CD GLU A 31 -7.797 5.588 -0.321 1.00 0.00 C ATOM 446 OE1 GLU A 31 -8.947 5.765 0.134 1.00 0.00 O ATOM 447 OE2 GLU A 31 -7.483 4.791 -1.232 1.00 0.00 O ATOM 0 H GLU A 31 -5.451 5.434 3.941 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.228 6.731 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.603 4.827 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.934 5.478 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.041 7.415 0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.871 6.552 -0.438 1.00 0.00 H new ATOM 454 N PRO A 32 -6.617 8.266 3.410 1.00 0.00 N ATOM 455 CA PRO A 32 -7.245 9.556 3.639 1.00 0.00 C ATOM 456 C PRO A 32 -6.266 10.534 4.293 1.00 0.00 C ATOM 457 O PRO A 32 -6.624 11.674 4.584 1.00 0.00 O ATOM 458 CB PRO A 32 -8.454 9.255 4.510 1.00 0.00 C ATOM 459 CG PRO A 32 -8.200 7.885 5.118 1.00 0.00 C ATOM 460 CD PRO A 32 -7.053 7.242 4.355 1.00 0.00 C ATOM 0 HA PRO A 32 -7.549 10.047 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.574 10.011 5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.370 9.256 3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.951 7.977 6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.095 7.267 5.054 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.244 6.952 5.026 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.378 6.339 3.838 1.00 0.00 H new ATOM 468 N GLN A 33 -5.050 10.052 4.504 1.00 0.00 N ATOM 469 CA GLN A 33 -4.017 10.869 5.117 1.00 0.00 C ATOM 470 C GLN A 33 -3.128 11.496 4.042 1.00 0.00 C ATOM 471 O GLN A 33 -2.269 12.323 4.346 1.00 0.00 O ATOM 472 CB GLN A 33 -3.186 10.050 6.107 1.00 0.00 C ATOM 473 CG GLN A 33 -3.981 9.760 7.382 1.00 0.00 C ATOM 474 CD GLN A 33 -3.049 9.391 8.538 1.00 0.00 C ATOM 475 OE1 GLN A 33 -3.166 9.885 9.647 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.118 8.496 8.217 1.00 0.00 N ATOM 0 H GLN A 33 -4.757 9.106 4.261 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.499 11.672 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.881 9.112 5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.274 10.592 6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.573 10.634 7.652 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.681 8.945 7.200 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.076 8.122 7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.447 8.184 8.919 1.00 0.00 H new ATOM 485 N VAL A 34 -3.364 11.079 2.807 1.00 0.00 N ATOM 486 CA VAL A 34 -2.595 11.589 1.685 1.00 0.00 C ATOM 487 C VAL A 34 -3.537 12.284 0.700 1.00 0.00 C ATOM 488 O VAL A 34 -3.172 13.286 0.088 1.00 0.00 O ATOM 489 CB VAL A 34 -1.790 10.457 1.043 1.00 0.00 C ATOM 490 CG1 VAL A 34 -2.480 9.107 1.253 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.553 10.726 -0.444 1.00 0.00 C ATOM 0 H VAL A 34 -4.077 10.393 2.559 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.873 12.332 2.024 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.818 10.417 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.888 8.319 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.573 8.908 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.471 9.131 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.979 9.906 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.512 10.806 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.000 11.658 -0.562 1.00 0.00 H new ATOM 501 N VAL A 35 -4.732 11.725 0.579 1.00 0.00 N ATOM 502 CA VAL A 35 -5.730 12.279 -0.321 1.00 0.00 C ATOM 503 C VAL A 35 -6.193 13.636 0.212 1.00 0.00 C ATOM 504 O VAL A 35 -6.309 14.598 -0.546 1.00 0.00 O ATOM 505 CB VAL A 35 -6.878 11.285 -0.504 1.00 0.00 C ATOM 506 CG1 VAL A 35 -8.013 11.903 -1.324 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.382 9.987 -1.146 1.00 0.00 C ATOM 0 H VAL A 35 -5.032 10.894 1.089 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.303 12.447 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.271 11.042 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.816 11.175 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.394 12.786 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.638 12.188 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.218 9.297 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.950 10.206 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.624 9.532 -0.508 1.00 0.00 H new ATOM 517 N GLY A 36 -6.447 13.670 1.512 1.00 0.00 N ATOM 518 CA GLY A 36 -6.895 14.893 2.156 1.00 0.00 C ATOM 519 C GLY A 36 -5.736 15.598 2.862 1.00 0.00 C ATOM 520 O GLY A 36 -5.953 16.405 3.765 1.00 0.00 O ATOM 0 H GLY A 36 -6.351 12.870 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.332 15.560 1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.678 14.662 2.878 1.00 0.00 H new ATOM 524 N PHE A 37 -4.530 15.267 2.425 1.00 0.00 N ATOM 525 CA PHE A 37 -3.336 15.858 3.005 1.00 0.00 C ATOM 526 C PHE A 37 -3.129 17.287 2.497 1.00 0.00 C ATOM 527 O PHE A 37 -3.772 17.707 1.536 1.00 0.00 O ATOM 528 CB PHE A 37 -2.151 14.997 2.564 1.00 0.00 C ATOM 529 CG PHE A 37 -0.791 15.523 3.029 1.00 0.00 C ATOM 530 CD1 PHE A 37 -0.397 15.342 4.318 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.023 16.172 2.154 1.00 0.00 C ATOM 532 CE1 PHE A 37 0.864 15.830 4.750 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.284 16.660 2.586 1.00 0.00 C ATOM 534 CZ PHE A 37 1.678 16.479 3.875 1.00 0.00 C ATOM 0 H PHE A 37 -4.354 14.597 1.676 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.430 15.896 4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.288 13.986 2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.150 14.929 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.044 14.827 5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.290 16.316 1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.177 15.686 5.774 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.931 17.175 1.891 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.637 16.851 4.204 1.00 0.00 H new ATOM 544 N SER A 38 -2.230 17.994 3.165 1.00 0.00 N ATOM 545 CA SER A 38 -1.931 19.367 2.794 1.00 0.00 C ATOM 546 C SER A 38 -0.668 19.841 3.516 1.00 0.00 C ATOM 547 O SER A 38 -0.716 20.184 4.697 1.00 0.00 O ATOM 548 CB SER A 38 -3.106 20.293 3.115 1.00 0.00 C ATOM 549 OG SER A 38 -3.881 20.593 1.958 1.00 0.00 O ATOM 0 H SER A 38 -1.699 17.642 3.961 1.00 0.00 H new ATOM 0 HA SER A 38 -1.761 19.401 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.742 19.824 3.866 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.729 21.219 3.549 1.00 0.00 H new ATOM 0 HG SER A 38 -4.065 19.767 1.465 1.00 0.00 H new ATOM 555 N GLY A 39 0.431 19.846 2.777 1.00 0.00 N ATOM 556 CA GLY A 39 1.705 20.272 3.332 1.00 0.00 C ATOM 557 C GLY A 39 2.857 19.938 2.383 1.00 0.00 C ATOM 558 O GLY A 39 2.654 19.282 1.362 1.00 0.00 O ATOM 0 H GLY A 39 0.466 19.562 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.683 21.346 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.868 19.784 4.293 1.00 0.00 H new ATOM 562 N LEU A 40 4.040 20.404 2.752 1.00 0.00 N ATOM 563 CA LEU A 40 5.225 20.163 1.946 1.00 0.00 C ATOM 564 C LEU A 40 5.648 18.700 2.094 1.00 0.00 C ATOM 565 O LEU A 40 5.118 17.979 2.938 1.00 0.00 O ATOM 566 CB LEU A 40 6.328 21.161 2.302 1.00 0.00 C ATOM 567 CG LEU A 40 6.386 22.429 1.449 1.00 0.00 C ATOM 568 CD1 LEU A 40 6.954 23.603 2.249 1.00 0.00 C ATOM 569 CD2 LEU A 40 7.169 22.185 0.157 1.00 0.00 C ATOM 0 H LEU A 40 4.204 20.948 3.599 1.00 0.00 H new ATOM 0 HA LEU A 40 5.008 20.328 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.203 21.454 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.289 20.652 2.227 1.00 0.00 H new ATOM 0 HG LEU A 40 5.368 22.696 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.984 24.492 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.320 23.794 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.963 23.361 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.195 23.102 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.187 21.881 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.683 21.398 -0.420 1.00 0.00 H new ATOM 581 N SER A 41 6.598 18.305 1.260 1.00 0.00 N ATOM 582 CA SER A 41 7.099 16.941 1.288 1.00 0.00 C ATOM 583 C SER A 41 8.265 16.831 2.272 1.00 0.00 C ATOM 584 O SER A 41 9.379 16.486 1.883 1.00 0.00 O ATOM 585 CB SER A 41 7.536 16.486 -0.106 1.00 0.00 C ATOM 586 OG SER A 41 8.343 17.463 -0.757 1.00 0.00 O ATOM 0 H SER A 41 7.034 18.905 0.560 1.00 0.00 H new ATOM 0 HA SER A 41 6.291 16.287 1.618 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.092 15.552 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.655 16.281 -0.713 1.00 0.00 H new ATOM 0 HG SER A 41 8.603 17.135 -1.643 1.00 0.00 H new ATOM 652 N TYR A 46 4.000 14.177 6.660 1.00 0.00 N ATOM 653 CA TYR A 46 4.298 13.624 5.351 1.00 0.00 C ATOM 654 C TYR A 46 5.287 12.461 5.459 1.00 0.00 C ATOM 655 O TYR A 46 5.077 11.406 4.863 1.00 0.00 O ATOM 656 CB TYR A 46 4.947 14.757 4.552 1.00 0.00 C ATOM 657 CG TYR A 46 5.446 14.336 3.168 1.00 0.00 C ATOM 658 CD1 TYR A 46 6.711 13.803 3.024 1.00 0.00 C ATOM 659 CD2 TYR A 46 4.631 14.489 2.065 1.00 0.00 C ATOM 660 CE1 TYR A 46 7.181 13.407 1.721 1.00 0.00 C ATOM 661 CE2 TYR A 46 5.101 14.093 0.763 1.00 0.00 C ATOM 662 CZ TYR A 46 6.353 13.572 0.655 1.00 0.00 C ATOM 663 OH TYR A 46 6.796 13.198 -0.575 1.00 0.00 O ATOM 0 HA TYR A 46 3.391 13.245 4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.225 15.566 4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.785 15.157 5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.348 13.683 3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.641 14.906 2.178 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.168 12.989 1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.474 14.207 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 46 7.160 12.289 -0.529 1.00 0.00 H new ATOM 673 N LYS A 47 6.343 12.694 6.224 1.00 0.00 N ATOM 674 CA LYS A 47 7.365 11.679 6.418 1.00 0.00 C ATOM 675 C LYS A 47 6.709 10.392 6.923 1.00 0.00 C ATOM 676 O LYS A 47 7.111 9.294 6.538 1.00 0.00 O ATOM 677 CB LYS A 47 8.474 12.203 7.332 1.00 0.00 C ATOM 678 CG LYS A 47 9.116 13.463 6.748 1.00 0.00 C ATOM 679 CD LYS A 47 9.939 13.131 5.501 1.00 0.00 C ATOM 680 CE LYS A 47 11.414 13.477 5.710 1.00 0.00 C ATOM 681 NZ LYS A 47 11.572 14.921 5.997 1.00 0.00 N ATOM 0 H LYS A 47 6.513 13.571 6.717 1.00 0.00 H new ATOM 0 HA LYS A 47 7.850 11.441 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.064 12.423 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.233 11.433 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.341 14.186 6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.756 13.930 7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.840 12.071 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.550 13.684 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.818 12.890 6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.985 13.212 4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.481 15.253 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.796 15.451 5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.550 15.075 7.025 1.00 0.00 H new ATOM 695 N ARG A 48 5.711 10.569 7.776 1.00 0.00 N ATOM 696 CA ARG A 48 4.996 9.435 8.337 1.00 0.00 C ATOM 697 C ARG A 48 4.367 8.599 7.220 1.00 0.00 C ATOM 698 O ARG A 48 4.661 7.411 7.089 1.00 0.00 O ATOM 699 CB ARG A 48 3.899 9.897 9.298 1.00 0.00 C ATOM 700 CG ARG A 48 3.468 8.759 10.226 1.00 0.00 C ATOM 701 CD ARG A 48 2.529 9.269 11.321 1.00 0.00 C ATOM 702 NE ARG A 48 1.803 8.135 11.934 1.00 0.00 N ATOM 703 CZ ARG A 48 0.788 8.272 12.798 1.00 0.00 C ATOM 704 NH1 ARG A 48 0.374 9.495 13.156 1.00 0.00 N ATOM 705 NH2 ARG A 48 0.187 7.187 13.304 1.00 0.00 N ATOM 0 H ARG A 48 5.380 11.481 8.092 1.00 0.00 H new ATOM 0 HA ARG A 48 5.715 8.829 8.888 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.260 10.737 9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.040 10.253 8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.969 7.982 9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.348 8.302 10.680 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.100 9.800 12.083 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.819 9.981 10.900 1.00 0.00 H new ATOM 0 HE ARG A 48 2.093 7.190 11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.831 10.321 12.771 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.399 9.600 13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.502 6.256 13.032 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.586 7.292 13.962 1.00 0.00 H new ATOM 719 N LEU A 49 3.514 9.251 6.445 1.00 0.00 N ATOM 720 CA LEU A 49 2.841 8.582 5.344 1.00 0.00 C ATOM 721 C LEU A 49 3.882 7.896 4.458 1.00 0.00 C ATOM 722 O LEU A 49 3.860 6.676 4.298 1.00 0.00 O ATOM 723 CB LEU A 49 1.943 9.564 4.589 1.00 0.00 C ATOM 724 CG LEU A 49 0.563 9.816 5.201 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.627 10.914 6.265 1.00 0.00 C ATOM 726 CD2 LEU A 49 -0.469 10.130 4.115 1.00 0.00 C ATOM 0 H LEU A 49 3.273 10.236 6.557 1.00 0.00 H new ATOM 0 HA LEU A 49 2.178 7.803 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.465 10.518 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.806 9.193 3.573 1.00 0.00 H new ATOM 0 HG LEU A 49 0.239 8.903 5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.367 11.073 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.311 10.613 7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.982 11.839 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.441 10.305 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.161 11.021 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.541 9.288 3.427 1.00 0.00 H new ATOM 738 N GLU A 50 4.770 8.709 3.904 1.00 0.00 N ATOM 739 CA GLU A 50 5.817 8.195 3.037 1.00 0.00 C ATOM 740 C GLU A 50 6.537 7.026 3.712 1.00 0.00 C ATOM 741 O GLU A 50 6.932 6.069 3.047 1.00 0.00 O ATOM 742 CB GLU A 50 6.804 9.300 2.655 1.00 0.00 C ATOM 743 CG GLU A 50 8.063 8.713 2.014 1.00 0.00 C ATOM 744 CD GLU A 50 8.610 9.643 0.929 1.00 0.00 C ATOM 745 OE1 GLU A 50 7.777 10.316 0.285 1.00 0.00 O ATOM 746 OE2 GLU A 50 9.850 9.660 0.769 1.00 0.00 O ATOM 0 H GLU A 50 4.786 9.720 4.039 1.00 0.00 H new ATOM 0 HA GLU A 50 5.356 7.832 2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.328 9.994 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.076 9.872 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.824 8.553 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.835 7.739 1.582 1.00 0.00 H new ATOM 753 N ARG A 51 6.687 7.141 5.023 1.00 0.00 N ATOM 754 CA ARG A 51 7.353 6.105 5.794 1.00 0.00 C ATOM 755 C ARG A 51 6.490 4.843 5.844 1.00 0.00 C ATOM 756 O ARG A 51 7.012 3.733 5.935 1.00 0.00 O ATOM 757 CB ARG A 51 7.636 6.578 7.222 1.00 0.00 C ATOM 758 CG ARG A 51 8.873 7.477 7.267 1.00 0.00 C ATOM 759 CD ARG A 51 10.148 6.647 7.433 1.00 0.00 C ATOM 760 NE ARG A 51 11.166 7.427 8.172 1.00 0.00 N ATOM 761 CZ ARG A 51 11.063 7.761 9.465 1.00 0.00 C ATOM 762 NH1 ARG A 51 9.987 7.387 10.171 1.00 0.00 N ATOM 763 NH2 ARG A 51 12.036 8.470 10.054 1.00 0.00 N ATOM 0 H ARG A 51 6.359 7.936 5.571 1.00 0.00 H new ATOM 0 HA ARG A 51 8.300 5.882 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.773 7.121 7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.785 5.716 7.872 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.934 8.064 6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.784 8.183 8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.924 5.725 7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.536 6.361 6.455 1.00 0.00 H new ATOM 0 HE ARG A 51 11.998 7.729 7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.246 6.848 9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.909 7.642 11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.855 8.755 9.518 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.957 8.724 11.039 1.00 0.00 H new ATOM 777 N ILE A 52 5.184 5.055 5.781 1.00 0.00 N ATOM 778 CA ILE A 52 4.243 3.947 5.818 1.00 0.00 C ATOM 779 C ILE A 52 4.331 3.166 4.505 1.00 0.00 C ATOM 780 O ILE A 52 4.812 2.035 4.483 1.00 0.00 O ATOM 781 CB ILE A 52 2.835 4.451 6.141 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.740 4.915 7.596 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.784 3.390 5.808 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.711 6.037 7.747 1.00 0.00 C ATOM 0 H ILE A 52 4.755 5.977 5.705 1.00 0.00 H new ATOM 0 HA ILE A 52 4.500 3.254 6.619 1.00 0.00 H new ATOM 0 HB ILE A 52 2.629 5.317 5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.463 4.074 8.232 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.716 5.263 7.935 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.792 3.773 6.047 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.834 3.149 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.976 2.491 6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.663 6.349 8.790 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.004 6.885 7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.732 5.678 7.430 1.00 0.00 H new ATOM 796 N LEU A 53 3.858 3.802 3.443 1.00 0.00 N ATOM 797 CA LEU A 53 3.877 3.181 2.129 1.00 0.00 C ATOM 798 C LEU A 53 5.180 2.397 1.959 1.00 0.00 C ATOM 799 O LEU A 53 5.162 1.173 1.847 1.00 0.00 O ATOM 800 CB LEU A 53 3.641 4.227 1.039 1.00 0.00 C ATOM 801 CG LEU A 53 2.210 4.754 0.912 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.198 3.608 0.955 1.00 0.00 C ATOM 803 CD2 LEU A 53 1.921 5.815 1.976 1.00 0.00 C ATOM 0 H LEU A 53 3.459 4.741 3.466 1.00 0.00 H new ATOM 0 HA LEU A 53 3.060 2.466 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.303 5.073 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.935 3.797 0.081 1.00 0.00 H new ATOM 0 HG LEU A 53 2.108 5.236 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.189 4.010 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.391 2.921 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.291 3.076 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.898 6.173 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.047 5.380 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.613 6.649 1.856 1.00 0.00 H new ATOM 815 N THR A 54 6.280 3.136 1.944 1.00 0.00 N ATOM 816 CA THR A 54 7.589 2.526 1.789 1.00 0.00 C ATOM 817 C THR A 54 7.706 1.283 2.674 1.00 0.00 C ATOM 818 O THR A 54 8.189 0.243 2.228 1.00 0.00 O ATOM 819 CB THR A 54 8.646 3.590 2.094 1.00 0.00 C ATOM 820 OG1 THR A 54 9.763 3.208 1.297 1.00 0.00 O ATOM 821 CG2 THR A 54 9.166 3.505 3.530 1.00 0.00 C ATOM 0 H THR A 54 6.291 4.152 2.037 1.00 0.00 H new ATOM 0 HA THR A 54 7.744 2.176 0.768 1.00 0.00 H new ATOM 0 HB THR A 54 8.225 4.580 1.919 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.495 3.846 1.432 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.913 4.282 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.339 3.646 4.226 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.617 2.527 3.696 1.00 0.00 H new ATOM 829 N LYS A 55 7.256 1.432 3.911 1.00 0.00 N ATOM 830 CA LYS A 55 7.304 0.334 4.862 1.00 0.00 C ATOM 831 C LYS A 55 6.426 -0.812 4.356 1.00 0.00 C ATOM 832 O LYS A 55 6.927 -1.891 4.042 1.00 0.00 O ATOM 833 CB LYS A 55 6.932 0.822 6.263 1.00 0.00 C ATOM 834 CG LYS A 55 8.182 1.183 7.068 1.00 0.00 C ATOM 835 CD LYS A 55 7.906 2.353 8.015 1.00 0.00 C ATOM 836 CE LYS A 55 8.434 2.058 9.420 1.00 0.00 C ATOM 837 NZ LYS A 55 7.388 2.325 10.433 1.00 0.00 N ATOM 0 H LYS A 55 6.856 2.296 4.277 1.00 0.00 H new ATOM 0 HA LYS A 55 8.319 -0.055 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.280 1.692 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.370 0.047 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.512 0.317 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.993 1.444 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.376 3.257 7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.834 2.545 8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.754 1.018 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.310 2.674 9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.763 2.120 11.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.102 3.324 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.563 1.719 10.248 1.00 0.00 H new ATOM 851 N GLN A 56 5.131 -0.539 4.293 1.00 0.00 N ATOM 852 CA GLN A 56 4.178 -1.534 3.831 1.00 0.00 C ATOM 853 C GLN A 56 4.650 -2.149 2.512 1.00 0.00 C ATOM 854 O GLN A 56 4.574 -3.362 2.326 1.00 0.00 O ATOM 855 CB GLN A 56 2.781 -0.928 3.685 1.00 0.00 C ATOM 856 CG GLN A 56 2.265 -0.407 5.027 1.00 0.00 C ATOM 857 CD GLN A 56 2.476 -1.442 6.135 1.00 0.00 C ATOM 858 OE1 GLN A 56 3.524 -1.522 6.754 1.00 0.00 O ATOM 859 NE2 GLN A 56 1.424 -2.227 6.348 1.00 0.00 N ATOM 0 H GLN A 56 4.719 0.357 4.554 1.00 0.00 H new ATOM 0 HA GLN A 56 4.118 -2.326 4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.808 -0.114 2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.094 -1.679 3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.781 0.518 5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.205 -0.168 4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.577 -2.106 5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.464 -2.950 7.066 1.00 0.00 H new ATOM 868 N LEU A 57 5.129 -1.283 1.630 1.00 0.00 N ATOM 869 CA LEU A 57 5.613 -1.726 0.334 1.00 0.00 C ATOM 870 C LEU A 57 6.618 -2.863 0.531 1.00 0.00 C ATOM 871 O LEU A 57 6.465 -3.938 -0.045 1.00 0.00 O ATOM 872 CB LEU A 57 6.170 -0.544 -0.462 1.00 0.00 C ATOM 873 CG LEU A 57 6.937 -0.897 -1.738 1.00 0.00 C ATOM 874 CD1 LEU A 57 8.321 -1.458 -1.409 1.00 0.00 C ATOM 875 CD2 LEU A 57 6.126 -1.850 -2.619 1.00 0.00 C ATOM 0 H LEU A 57 5.192 -0.277 1.788 1.00 0.00 H new ATOM 0 HA LEU A 57 4.793 -2.125 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.341 0.111 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.831 0.028 0.189 1.00 0.00 H new ATOM 0 HG LEU A 57 7.089 0.019 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.845 -1.701 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.892 -0.715 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.214 -2.359 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.694 -2.085 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.921 -2.769 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.185 -1.376 -2.897 1.00 0.00 H new ATOM 887 N PHE A 58 7.624 -2.586 1.348 1.00 0.00 N ATOM 888 CA PHE A 58 8.654 -3.572 1.628 1.00 0.00 C ATOM 889 C PHE A 58 8.035 -4.906 2.050 1.00 0.00 C ATOM 890 O PHE A 58 8.643 -5.960 1.872 1.00 0.00 O ATOM 891 CB PHE A 58 9.494 -3.024 2.784 1.00 0.00 C ATOM 892 CG PHE A 58 10.976 -3.398 2.707 1.00 0.00 C ATOM 893 CD1 PHE A 58 11.357 -4.697 2.840 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.912 -2.432 2.506 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.732 -5.044 2.769 1.00 0.00 C ATOM 896 CE2 PHE A 58 13.287 -2.779 2.436 1.00 0.00 C ATOM 897 CZ PHE A 58 13.668 -4.078 2.569 1.00 0.00 C ATOM 0 H PHE A 58 7.748 -1.693 1.825 1.00 0.00 H new ATOM 0 HA PHE A 58 9.255 -3.747 0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.404 -1.938 2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.085 -3.393 3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.614 -5.464 3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.609 -1.401 2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.035 -6.075 2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 58 14.030 -2.012 2.277 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.714 -4.342 2.516 1.00 0.00 H new ATOM 907 N GLU A 59 6.834 -4.816 2.602 1.00 0.00 N ATOM 908 CA GLU A 59 6.126 -6.003 3.051 1.00 0.00 C ATOM 909 C GLU A 59 5.428 -6.683 1.872 1.00 0.00 C ATOM 910 O GLU A 59 5.286 -7.904 1.850 1.00 0.00 O ATOM 911 CB GLU A 59 5.126 -5.660 4.157 1.00 0.00 C ATOM 912 CG GLU A 59 5.746 -5.867 5.540 1.00 0.00 C ATOM 913 CD GLU A 59 5.163 -7.106 6.222 1.00 0.00 C ATOM 914 OE1 GLU A 59 5.392 -8.211 5.684 1.00 0.00 O ATOM 915 OE2 GLU A 59 4.503 -6.921 7.267 1.00 0.00 O ATOM 0 H GLU A 59 6.333 -3.940 2.749 1.00 0.00 H new ATOM 0 HA GLU A 59 6.853 -6.700 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.802 -4.625 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.238 -6.284 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.827 -5.974 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.565 -4.988 6.159 1.00 0.00 H new ATOM 922 N ILE A 60 5.011 -5.862 0.919 1.00 0.00 N ATOM 923 CA ILE A 60 4.331 -6.368 -0.261 1.00 0.00 C ATOM 924 C ILE A 60 5.280 -7.282 -1.038 1.00 0.00 C ATOM 925 O ILE A 60 4.905 -8.389 -1.422 1.00 0.00 O ATOM 926 CB ILE A 60 3.770 -5.213 -1.093 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.870 -4.312 -0.245 1.00 0.00 C ATOM 928 CG2 ILE A 60 3.050 -5.734 -2.338 1.00 0.00 C ATOM 929 CD1 ILE A 60 2.191 -3.246 -1.107 1.00 0.00 C ATOM 0 H ILE A 60 5.131 -4.849 0.940 1.00 0.00 H new ATOM 0 HA ILE A 60 3.470 -6.971 0.025 1.00 0.00 H new ATOM 0 HB ILE A 60 4.605 -4.602 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.113 -4.916 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.461 -3.832 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.661 -4.893 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.750 -6.300 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.226 -6.381 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.557 -2.620 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.950 -2.628 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.581 -3.729 -1.870 1.00 0.00 H new ATOM 941 N ASP A 61 6.490 -6.785 -1.247 1.00 0.00 N ATOM 942 CA ASP A 61 7.495 -7.543 -1.972 1.00 0.00 C ATOM 943 C ASP A 61 7.800 -8.835 -1.211 1.00 0.00 C ATOM 944 O ASP A 61 8.127 -9.854 -1.818 1.00 0.00 O ATOM 945 CB ASP A 61 8.798 -6.751 -2.098 1.00 0.00 C ATOM 946 CG ASP A 61 9.761 -7.257 -3.173 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.862 -8.495 -3.308 1.00 0.00 O ATOM 948 OD2 ASP A 61 10.376 -6.394 -3.836 1.00 0.00 O ATOM 0 H ASP A 61 6.797 -5.867 -0.927 1.00 0.00 H new ATOM 0 HA ASP A 61 7.104 -7.755 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.554 -5.710 -2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.310 -6.768 -1.136 1.00 0.00 H new ATOM 953 N SER A 62 7.682 -8.751 0.106 1.00 0.00 N ATOM 954 CA SER A 62 7.941 -9.901 0.955 1.00 0.00 C ATOM 955 C SER A 62 6.955 -11.024 0.630 1.00 0.00 C ATOM 956 O SER A 62 7.361 -12.154 0.364 1.00 0.00 O ATOM 957 CB SER A 62 7.847 -9.524 2.435 1.00 0.00 C ATOM 958 OG SER A 62 9.045 -9.835 3.142 1.00 0.00 O ATOM 0 H SER A 62 7.410 -7.904 0.606 1.00 0.00 H new ATOM 0 HA SER A 62 8.955 -10.249 0.760 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.639 -8.458 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.009 -10.052 2.891 1.00 0.00 H new ATOM 0 HG SER A 62 8.946 -9.578 4.082 1.00 0.00 H new ATOM 964 N VAL A 63 5.677 -10.675 0.662 1.00 0.00 N ATOM 965 CA VAL A 63 4.630 -11.640 0.374 1.00 0.00 C ATOM 966 C VAL A 63 5.067 -12.527 -0.793 1.00 0.00 C ATOM 967 O VAL A 63 5.380 -12.030 -1.873 1.00 0.00 O ATOM 968 CB VAL A 63 3.308 -10.914 0.110 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.258 -11.875 -0.450 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.800 -10.224 1.377 1.00 0.00 C ATOM 0 H VAL A 63 5.343 -9.737 0.883 1.00 0.00 H new ATOM 0 HA VAL A 63 4.463 -12.291 1.233 1.00 0.00 H new ATOM 0 HB VAL A 63 3.491 -10.144 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.329 -11.334 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.617 -12.300 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.079 -12.677 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.860 -9.716 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.640 -10.968 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.537 -9.496 1.715 1.00 0.00 H new ATOM 980 N ASP A 64 5.076 -13.827 -0.535 1.00 0.00 N ATOM 981 CA ASP A 64 5.470 -14.789 -1.550 1.00 0.00 C ATOM 982 C ASP A 64 4.237 -15.214 -2.350 1.00 0.00 C ATOM 983 O ASP A 64 3.182 -15.482 -1.777 1.00 0.00 O ATOM 984 CB ASP A 64 6.076 -16.042 -0.916 1.00 0.00 C ATOM 985 CG ASP A 64 6.137 -17.266 -1.832 1.00 0.00 C ATOM 986 OD1 ASP A 64 6.457 -17.067 -3.024 1.00 0.00 O ATOM 987 OD2 ASP A 64 5.863 -18.373 -1.320 1.00 0.00 O ATOM 0 H ASP A 64 4.817 -14.236 0.363 1.00 0.00 H new ATOM 0 HA ASP A 64 6.212 -14.315 -2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.086 -15.808 -0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.496 -16.299 -0.030 1.00 0.00 H new ATOM 992 N THR A 65 4.410 -15.261 -3.663 1.00 0.00 N ATOM 993 CA THR A 65 3.324 -15.648 -4.548 1.00 0.00 C ATOM 994 C THR A 65 3.720 -16.875 -5.372 1.00 0.00 C ATOM 995 O THR A 65 4.181 -16.745 -6.504 1.00 0.00 O ATOM 996 CB THR A 65 2.956 -14.435 -5.403 1.00 0.00 C ATOM 997 OG1 THR A 65 4.189 -14.045 -6.002 1.00 0.00 O ATOM 998 CG2 THR A 65 2.552 -13.224 -4.560 1.00 0.00 C ATOM 0 H THR A 65 5.286 -15.037 -4.135 1.00 0.00 H new ATOM 0 HA THR A 65 2.440 -15.946 -3.984 1.00 0.00 H new ATOM 0 HB THR A 65 2.138 -14.699 -6.073 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.598 -14.819 -6.442 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.301 -12.391 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.686 -13.479 -3.949 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.381 -12.938 -3.913 1.00 0.00 H new ATOM 1006 N GLU A 66 3.524 -18.040 -4.771 1.00 0.00 N ATOM 1007 CA GLU A 66 3.855 -19.289 -5.435 1.00 0.00 C ATOM 1008 C GLU A 66 2.901 -19.537 -6.605 1.00 0.00 C ATOM 1009 O GLU A 66 2.159 -20.518 -6.609 1.00 0.00 O ATOM 1010 CB GLU A 66 3.827 -20.459 -4.448 1.00 0.00 C ATOM 1011 CG GLU A 66 4.875 -21.511 -4.816 1.00 0.00 C ATOM 1012 CD GLU A 66 4.223 -22.875 -5.049 1.00 0.00 C ATOM 1013 OE1 GLU A 66 3.344 -22.940 -5.936 1.00 0.00 O ATOM 1014 OE2 GLU A 66 4.619 -23.823 -4.336 1.00 0.00 O ATOM 0 H GLU A 66 3.140 -18.145 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 66 4.869 -19.211 -5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.013 -20.092 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.836 -20.913 -4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.408 -21.200 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.614 -21.588 -4.018 1.00 0.00 H new ATOM 1021 N GLY A 67 2.952 -18.631 -7.570 1.00 0.00 N ATOM 1022 CA GLY A 67 2.101 -18.738 -8.743 1.00 0.00 C ATOM 1023 C GLY A 67 0.721 -19.283 -8.372 1.00 0.00 C ATOM 1024 O GLY A 67 0.367 -20.399 -8.750 1.00 0.00 O ATOM 0 H GLY A 67 3.570 -17.819 -7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.995 -17.759 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.569 -19.393 -9.478 1.00 0.00 H new ATOM 1028 N LYS A 68 -0.022 -18.470 -7.635 1.00 0.00 N ATOM 1029 CA LYS A 68 -1.356 -18.857 -7.208 1.00 0.00 C ATOM 1030 C LYS A 68 -2.381 -17.902 -7.824 1.00 0.00 C ATOM 1031 O LYS A 68 -3.456 -18.326 -8.244 1.00 0.00 O ATOM 1032 CB LYS A 68 -1.429 -18.936 -5.682 1.00 0.00 C ATOM 1033 CG LYS A 68 -0.547 -20.068 -5.149 1.00 0.00 C ATOM 1034 CD LYS A 68 -0.813 -20.316 -3.663 1.00 0.00 C ATOM 1035 CE LYS A 68 0.075 -21.441 -3.128 1.00 0.00 C ATOM 1036 NZ LYS A 68 -0.751 -22.585 -2.681 1.00 0.00 N ATOM 0 H LYS A 68 0.274 -17.545 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.595 -19.858 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.111 -17.988 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.461 -19.097 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.739 -20.980 -5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.503 -19.816 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.627 -19.402 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.862 -20.574 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.767 -21.766 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.677 -21.073 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.133 -23.340 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.394 -22.274 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.307 -22.946 -3.482 1.00 0.00 H new ATOM 1050 N GLY A 69 -2.011 -16.630 -7.858 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.884 -15.611 -8.415 1.00 0.00 C ATOM 1052 C GLY A 69 -3.621 -14.855 -7.308 1.00 0.00 C ATOM 1053 O GLY A 69 -3.435 -13.651 -7.143 1.00 0.00 O ATOM 0 H GLY A 69 -1.118 -16.282 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.298 -14.911 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.606 -16.074 -9.087 1.00 0.00 H new ATOM 1057 N ASP A 70 -4.443 -15.594 -6.577 1.00 0.00 N ATOM 1058 CA ASP A 70 -5.209 -15.009 -5.490 1.00 0.00 C ATOM 1059 C ASP A 70 -4.324 -14.027 -4.719 1.00 0.00 C ATOM 1060 O ASP A 70 -4.793 -12.979 -4.277 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.686 -16.084 -4.511 1.00 0.00 C ATOM 1062 CG ASP A 70 -6.807 -16.984 -5.035 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -7.762 -16.423 -5.613 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -6.682 -18.213 -4.846 1.00 0.00 O ATOM 0 H ASP A 70 -4.595 -16.593 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.074 -14.504 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.836 -16.709 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.028 -15.597 -3.598 1.00 0.00 H new ATOM 1069 N ILE A 71 -3.061 -14.400 -4.582 1.00 0.00 N ATOM 1070 CA ILE A 71 -2.106 -13.566 -3.873 1.00 0.00 C ATOM 1071 C ILE A 71 -1.405 -12.640 -4.870 1.00 0.00 C ATOM 1072 O ILE A 71 -1.358 -11.428 -4.669 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.144 -14.429 -3.054 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.910 -15.360 -2.112 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -0.131 -13.561 -2.304 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -1.007 -16.484 -1.599 1.00 0.00 C ATOM 0 H ILE A 71 -2.676 -15.270 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.619 -12.929 -3.152 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.580 -15.059 -3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.301 -14.790 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.767 -15.786 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.541 -14.199 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.447 -12.976 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.658 -12.888 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.576 -17.132 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.637 -17.067 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.164 -16.055 -1.057 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.878 -13.247 -5.923 1.00 0.00 N ATOM 1089 CA GLN A 72 -0.182 -12.493 -6.951 1.00 0.00 C ATOM 1090 C GLN A 72 -1.002 -11.267 -7.357 1.00 0.00 C ATOM 1091 O GLN A 72 -0.456 -10.177 -7.522 1.00 0.00 O ATOM 1092 CB GLN A 72 0.125 -13.374 -8.164 1.00 0.00 C ATOM 1093 CG GLN A 72 1.620 -13.355 -8.490 1.00 0.00 C ATOM 1094 CD GLN A 72 1.861 -12.900 -9.931 1.00 0.00 C ATOM 1095 OE1 GLN A 72 2.189 -13.681 -10.809 1.00 0.00 O ATOM 1096 NE2 GLN A 72 1.681 -11.596 -10.123 1.00 0.00 N ATOM 0 H GLN A 72 -0.919 -14.253 -6.086 1.00 0.00 H new ATOM 0 HA GLN A 72 0.769 -12.151 -6.542 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.195 -14.397 -7.965 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.443 -13.024 -9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.137 -12.686 -7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.040 -14.350 -8.344 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.406 -10.999 -9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.818 -11.193 -11.050 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.300 -11.487 -7.507 1.00 0.00 N ATOM 1106 CA GLN A 73 -3.201 -10.413 -7.890 1.00 0.00 C ATOM 1107 C GLN A 73 -3.245 -9.341 -6.800 1.00 0.00 C ATOM 1108 O GLN A 73 -2.974 -8.171 -7.064 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.602 -10.953 -8.185 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.921 -10.865 -9.679 1.00 0.00 C ATOM 1111 CD GLN A 73 -4.372 -12.081 -10.428 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -5.078 -13.031 -10.725 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -3.076 -12.000 -10.717 1.00 0.00 N ATOM 0 H GLN A 73 -2.749 -12.393 -7.370 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.822 -9.957 -8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.673 -11.989 -7.855 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.341 -10.387 -7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.000 -10.802 -9.821 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.491 -9.953 -10.093 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.542 -11.176 -10.440 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.616 -12.762 -11.216 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.587 -9.779 -5.597 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.670 -8.872 -4.466 1.00 0.00 C ATOM 1124 C ALA A 74 -2.337 -8.137 -4.308 1.00 0.00 C ATOM 1125 O ALA A 74 -2.291 -6.909 -4.357 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.055 -9.655 -3.209 1.00 0.00 C ATOM 0 H ALA A 74 -3.810 -10.751 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.443 -8.122 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.117 -8.974 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.022 -10.134 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.300 -10.416 -3.009 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.284 -8.920 -4.124 1.00 0.00 N ATOM 1133 CA ARG A 75 0.046 -8.360 -3.959 1.00 0.00 C ATOM 1134 C ARG A 75 0.300 -7.278 -5.011 1.00 0.00 C ATOM 1135 O ARG A 75 0.395 -6.096 -4.681 1.00 0.00 O ATOM 1136 CB ARG A 75 1.120 -9.443 -4.083 1.00 0.00 C ATOM 1137 CG ARG A 75 2.319 -9.132 -3.185 1.00 0.00 C ATOM 1138 CD ARG A 75 3.626 -9.582 -3.841 1.00 0.00 C ATOM 1139 NE ARG A 75 4.561 -8.439 -3.940 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.573 -7.564 -4.955 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.699 -7.695 -5.963 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.457 -6.557 -4.962 1.00 0.00 N ATOM 0 H ARG A 75 -1.325 -9.938 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 75 0.100 -7.923 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.699 -10.411 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.448 -9.518 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.359 -8.062 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.198 -9.633 -2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.079 -10.384 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.425 -9.985 -4.834 1.00 0.00 H new ATOM 0 HE ARG A 75 5.239 -8.309 -3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.025 -8.461 -5.957 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.708 -7.029 -6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.121 -6.456 -4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.466 -5.891 -5.735 1.00 0.00 H new ATOM 1156 N LYS A 76 0.403 -7.719 -6.256 1.00 0.00 N ATOM 1157 CA LYS A 76 0.643 -6.803 -7.357 1.00 0.00 C ATOM 1158 C LYS A 76 -0.324 -5.622 -7.254 1.00 0.00 C ATOM 1159 O LYS A 76 0.053 -4.481 -7.517 1.00 0.00 O ATOM 1160 CB LYS A 76 0.570 -7.542 -8.695 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.881 -7.716 -9.147 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.952 -8.138 -10.616 1.00 0.00 C ATOM 1163 CE LYS A 76 -1.848 -7.192 -11.416 1.00 0.00 C ATOM 1164 NZ LYS A 76 -1.806 -7.532 -12.856 1.00 0.00 N ATOM 0 H LYS A 76 0.325 -8.699 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 76 1.652 -6.395 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.126 -6.988 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.045 -8.519 -8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.372 -8.465 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.424 -6.781 -9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.050 -8.145 -11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.336 -9.156 -10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.873 -7.257 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.522 -6.162 -11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.420 -6.880 -13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.830 -7.447 -13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.139 -8.508 -12.992 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.552 -5.937 -6.870 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.577 -4.916 -6.728 1.00 0.00 C ATOM 1180 C ARG A 77 -2.235 -3.978 -5.569 1.00 0.00 C ATOM 1181 O ARG A 77 -2.586 -2.800 -5.594 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.950 -5.544 -6.480 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.594 -5.990 -7.793 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.431 -4.864 -8.404 1.00 0.00 C ATOM 1185 NE ARG A 77 -6.639 -4.628 -7.582 1.00 0.00 N ATOM 1186 CZ ARG A 77 -7.619 -3.777 -7.914 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -7.540 -3.076 -9.053 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -8.678 -3.627 -7.106 1.00 0.00 N ATOM 0 H ARG A 77 -1.861 -6.885 -6.653 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.612 -4.350 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.847 -6.399 -5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.598 -4.825 -5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.820 -6.295 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.224 -6.861 -7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.838 -3.951 -8.465 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.719 -5.125 -9.422 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.731 -5.146 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.734 -3.190 -9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.286 -2.428 -9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.737 -4.161 -6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.424 -2.979 -7.358 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.553 -4.537 -4.579 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.160 -3.765 -3.412 1.00 0.00 C ATOM 1204 C ALA A 78 0.145 -3.024 -3.712 1.00 0.00 C ATOM 1205 O ALA A 78 0.347 -1.903 -3.248 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.037 -4.695 -2.203 1.00 0.00 C ATOM 0 H ALA A 78 -1.263 -5.515 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.917 -3.017 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.742 -4.117 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.997 -5.175 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.284 -5.457 -2.405 1.00 0.00 H new ATOM 1212 N ALA A 79 0.996 -3.680 -4.487 1.00 0.00 N ATOM 1213 CA ALA A 79 2.275 -3.097 -4.855 1.00 0.00 C ATOM 1214 C ALA A 79 2.036 -1.809 -5.645 1.00 0.00 C ATOM 1215 O ALA A 79 2.918 -0.957 -5.731 1.00 0.00 O ATOM 1216 CB ALA A 79 3.095 -4.121 -5.644 1.00 0.00 C ATOM 0 H ALA A 79 0.825 -4.610 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 79 2.848 -2.836 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.055 -3.684 -5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.263 -5.005 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.552 -4.404 -6.546 1.00 0.00 H new ATOM 1222 N GLN A 80 0.837 -1.707 -6.200 1.00 0.00 N ATOM 1223 CA GLN A 80 0.471 -0.537 -6.980 1.00 0.00 C ATOM 1224 C GLN A 80 -0.204 0.506 -6.086 1.00 0.00 C ATOM 1225 O GLN A 80 0.164 1.680 -6.111 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.434 -0.921 -8.153 1.00 0.00 C ATOM 1227 CG GLN A 80 0.350 -1.682 -9.224 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.537 -2.003 -10.429 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -1.679 -2.411 -10.300 1.00 0.00 O ATOM 1230 NE2 GLN A 80 0.052 -1.796 -11.603 1.00 0.00 N ATOM 0 H GLN A 80 0.107 -2.415 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 80 1.380 -0.100 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.259 -1.537 -7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.873 -0.023 -8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.205 -1.087 -9.545 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.745 -2.606 -8.802 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.012 -1.453 -11.639 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.456 -1.980 -12.468 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.178 0.040 -5.319 1.00 0.00 N ATOM 1240 CA GLU A 81 -1.907 0.918 -4.419 1.00 0.00 C ATOM 1241 C GLU A 81 -0.933 1.792 -3.626 1.00 0.00 C ATOM 1242 O GLU A 81 -0.951 3.016 -3.747 1.00 0.00 O ATOM 1243 CB GLU A 81 -2.811 0.115 -3.482 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.285 0.309 -3.844 1.00 0.00 C ATOM 1245 CD GLU A 81 -4.580 -0.225 -5.248 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -4.100 0.414 -6.209 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.277 -1.259 -5.327 1.00 0.00 O ATOM 0 H GLU A 81 -1.480 -0.934 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.546 1.569 -5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.554 -0.943 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.642 0.427 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.913 -0.205 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.539 1.368 -3.793 1.00 0.00 H new ATOM 1254 N THR A 82 -0.105 1.129 -2.832 1.00 0.00 N ATOM 1255 CA THR A 82 0.874 1.830 -2.019 1.00 0.00 C ATOM 1256 C THR A 82 1.586 2.902 -2.847 1.00 0.00 C ATOM 1257 O THR A 82 1.530 4.085 -2.517 1.00 0.00 O ATOM 1258 CB THR A 82 1.826 0.790 -1.424 1.00 0.00 C ATOM 1259 OG1 THR A 82 1.266 0.498 -0.147 1.00 0.00 O ATOM 1260 CG2 THR A 82 3.203 1.374 -1.102 1.00 0.00 C ATOM 0 H THR A 82 -0.092 0.114 -2.734 1.00 0.00 H new ATOM 0 HA THR A 82 0.396 2.363 -1.197 1.00 0.00 H new ATOM 0 HB THR A 82 1.938 -0.041 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.733 -0.268 0.247 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.840 0.595 -0.683 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.657 1.761 -2.014 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.095 2.183 -0.379 1.00 0.00 H new ATOM 1268 N GLU A 83 2.238 2.448 -3.908 1.00 0.00 N ATOM 1269 CA GLU A 83 2.960 3.353 -4.786 1.00 0.00 C ATOM 1270 C GLU A 83 2.000 4.372 -5.404 1.00 0.00 C ATOM 1271 O GLU A 83 2.421 5.440 -5.845 1.00 0.00 O ATOM 1272 CB GLU A 83 3.713 2.581 -5.871 1.00 0.00 C ATOM 1273 CG GLU A 83 4.693 1.581 -5.252 1.00 0.00 C ATOM 1274 CD GLU A 83 5.983 2.278 -4.815 1.00 0.00 C ATOM 1275 OE1 GLU A 83 6.714 2.738 -5.719 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.209 2.334 -3.587 1.00 0.00 O ATOM 0 H GLU A 83 2.281 1.466 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 83 3.698 3.892 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.002 2.053 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.255 3.279 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.229 1.095 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.925 0.798 -5.974 1.00 0.00 H new ATOM 1283 N ARG A 84 0.727 4.005 -5.417 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.297 4.873 -5.974 1.00 0.00 C ATOM 1285 C ARG A 84 -0.518 6.084 -5.065 1.00 0.00 C ATOM 1286 O ARG A 84 -0.695 7.202 -5.547 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.620 4.124 -6.145 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.119 4.216 -7.588 1.00 0.00 C ATOM 1289 CD ARG A 84 -3.102 3.086 -7.902 1.00 0.00 C ATOM 1290 NE ARG A 84 -4.145 3.567 -8.835 1.00 0.00 N ATOM 1291 CZ ARG A 84 -3.906 3.950 -10.097 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -2.658 3.911 -10.583 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -4.914 4.373 -10.871 1.00 0.00 N ATOM 0 H ARG A 84 0.381 3.118 -5.051 1.00 0.00 H new ATOM 0 HA ARG A 84 0.047 5.207 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.488 3.078 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.368 4.541 -5.470 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.604 5.179 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.273 4.167 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.570 2.242 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.563 2.728 -6.982 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.106 3.610 -8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.891 3.590 -9.993 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.475 4.202 -11.543 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.864 4.404 -10.500 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.732 4.664 -11.831 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.499 5.820 -3.767 1.00 0.00 N ATOM 1308 CA LEU A 85 -0.695 6.875 -2.786 1.00 0.00 C ATOM 1309 C LEU A 85 0.597 7.683 -2.647 1.00 0.00 C ATOM 1310 O LEU A 85 0.570 8.912 -2.674 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.200 6.291 -1.465 1.00 0.00 C ATOM 1312 CG LEU A 85 -2.693 5.961 -1.405 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -2.971 4.869 -0.371 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.523 7.220 -1.148 1.00 0.00 C ATOM 0 H LEU A 85 -0.351 4.892 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.469 7.566 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.638 5.381 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.972 6.998 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.996 5.569 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.039 4.653 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.424 3.965 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.648 5.209 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.580 6.957 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.225 7.665 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.356 7.936 -1.952 1.00 0.00 H new ATOM 1326 N LEU A 86 1.697 6.959 -2.502 1.00 0.00 N ATOM 1327 CA LEU A 86 2.997 7.593 -2.359 1.00 0.00 C ATOM 1328 C LEU A 86 3.077 8.799 -3.296 1.00 0.00 C ATOM 1329 O LEU A 86 3.459 9.891 -2.878 1.00 0.00 O ATOM 1330 CB LEU A 86 4.117 6.573 -2.572 1.00 0.00 C ATOM 1331 CG LEU A 86 5.030 6.318 -1.371 1.00 0.00 C ATOM 1332 CD1 LEU A 86 6.190 5.396 -1.750 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.518 7.635 -0.764 1.00 0.00 C ATOM 0 H LEU A 86 1.715 5.939 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 86 3.128 7.968 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.667 5.626 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.733 6.908 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 86 4.450 5.806 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.823 5.231 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.797 4.441 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.778 5.858 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.165 7.425 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.075 8.197 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.662 8.223 -0.433 1.00 0.00 H new ATOM 1345 N LYS A 87 2.710 8.562 -4.547 1.00 0.00 N ATOM 1346 CA LYS A 87 2.735 9.615 -5.548 1.00 0.00 C ATOM 1347 C LYS A 87 1.663 10.655 -5.215 1.00 0.00 C ATOM 1348 O LYS A 87 1.909 11.856 -5.305 1.00 0.00 O ATOM 1349 CB LYS A 87 2.603 9.024 -6.952 1.00 0.00 C ATOM 1350 CG LYS A 87 3.835 8.192 -7.315 1.00 0.00 C ATOM 1351 CD LYS A 87 4.675 8.893 -8.385 1.00 0.00 C ATOM 1352 CE LYS A 87 4.179 8.542 -9.789 1.00 0.00 C ATOM 1353 NZ LYS A 87 4.728 9.488 -10.784 1.00 0.00 N ATOM 0 H LYS A 87 2.393 7.655 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 87 3.695 10.130 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.710 8.401 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 87 2.475 9.827 -7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.440 8.025 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.523 7.212 -7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.630 9.972 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.720 8.601 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.477 7.525 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.090 8.570 -9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.381 9.235 -11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.423 10.454 -10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.767 9.441 -10.772 1.00 0.00 H new ATOM 1367 N GLU A 88 0.496 10.154 -4.838 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.615 11.024 -4.491 1.00 0.00 C ATOM 1369 C GLU A 88 -0.173 12.064 -3.460 1.00 0.00 C ATOM 1370 O GLU A 88 -0.458 13.251 -3.609 1.00 0.00 O ATOM 1371 CB GLU A 88 -1.807 10.214 -3.976 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.429 9.380 -5.098 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.592 10.127 -5.755 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.519 10.505 -5.007 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -3.527 10.303 -6.991 1.00 0.00 O ATOM 0 H GLU A 88 0.296 9.157 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.936 11.547 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.484 9.559 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.556 10.887 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.671 9.148 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.782 8.430 -4.697 1.00 0.00 H new ATOM 1382 N LEU A 89 0.516 11.581 -2.437 1.00 0.00 N ATOM 1383 CA LEU A 89 1.001 12.454 -1.381 1.00 0.00 C ATOM 1384 C LEU A 89 1.788 13.609 -2.002 1.00 0.00 C ATOM 1385 O LEU A 89 1.413 14.771 -1.853 1.00 0.00 O ATOM 1386 CB LEU A 89 1.795 11.654 -0.347 1.00 0.00 C ATOM 1387 CG LEU A 89 1.941 12.300 1.033 1.00 0.00 C ATOM 1388 CD1 LEU A 89 0.579 12.723 1.586 1.00 0.00 C ATOM 1389 CD2 LEU A 89 2.688 11.374 1.995 1.00 0.00 C ATOM 0 H LEU A 89 0.750 10.596 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 89 0.166 12.894 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.316 10.683 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.792 11.469 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 89 2.540 13.204 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.710 13.179 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.119 13.444 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.065 11.848 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.778 11.857 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.136 10.440 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.682 11.165 1.600 1.00 0.00 H new ATOM 1401 N GLU A 90 2.864 13.250 -2.686 1.00 0.00 N ATOM 1402 CA GLU A 90 3.707 14.243 -3.330 1.00 0.00 C ATOM 1403 C GLU A 90 2.867 15.145 -4.236 1.00 0.00 C ATOM 1404 O GLU A 90 3.173 16.326 -4.398 1.00 0.00 O ATOM 1405 CB GLU A 90 4.837 13.575 -4.117 1.00 0.00 C ATOM 1406 CG GLU A 90 6.030 13.269 -3.210 1.00 0.00 C ATOM 1407 CD GLU A 90 7.159 12.598 -3.996 1.00 0.00 C ATOM 1408 OE1 GLU A 90 7.013 11.388 -4.277 1.00 0.00 O ATOM 1409 OE2 GLU A 90 8.141 13.309 -4.298 1.00 0.00 O ATOM 0 H GLU A 90 3.172 12.285 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 90 4.163 14.861 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.474 12.652 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.153 14.227 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.395 14.192 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.714 12.619 -2.394 1.00 0.00 H new ATOM 1416 N GLN A 91 1.825 14.556 -4.803 1.00 0.00 N ATOM 1417 CA GLN A 91 0.939 15.292 -5.688 1.00 0.00 C ATOM 1418 C GLN A 91 0.031 16.220 -4.879 1.00 0.00 C ATOM 1419 O GLN A 91 -0.396 17.262 -5.373 1.00 0.00 O ATOM 1420 CB GLN A 91 0.114 14.338 -6.555 1.00 0.00 C ATOM 1421 CG GLN A 91 0.990 13.661 -7.612 1.00 0.00 C ATOM 1422 CD GLN A 91 0.354 13.764 -8.999 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -0.196 14.783 -9.384 1.00 0.00 O ATOM 1424 NE2 GLN A 91 0.459 12.656 -9.726 1.00 0.00 N ATOM 0 H GLN A 91 1.574 13.577 -4.667 1.00 0.00 H new ATOM 0 HA GLN A 91 1.548 15.902 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.353 13.581 -5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.691 14.888 -7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.976 14.126 -7.625 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.135 12.613 -7.352 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.932 11.838 -9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.066 12.624 -10.667 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.236 15.809 -3.648 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.085 16.591 -2.765 1.00 0.00 C ATOM 1435 C ASN A 92 -0.227 17.221 -1.666 1.00 0.00 C ATOM 1436 O ASN A 92 -0.738 17.591 -0.610 1.00 0.00 O ATOM 1437 CB ASN A 92 -2.141 15.710 -2.095 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.251 15.339 -3.080 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -3.789 16.171 -3.792 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.564 14.046 -3.080 1.00 0.00 N ATOM 0 H ASN A 92 0.121 14.944 -3.241 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.580 17.356 -3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.673 14.804 -1.711 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.569 16.235 -1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.294 13.698 -3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.074 13.403 -2.458 1.00 0.00 H new ATOM 1447 N ALA A 93 1.063 17.323 -1.952 1.00 0.00 N ATOM 1448 CA ALA A 93 1.996 17.902 -1.001 1.00 0.00 C ATOM 1449 C ALA A 93 2.099 19.409 -1.246 1.00 0.00 C ATOM 1450 O ALA A 93 1.433 20.197 -0.577 1.00 0.00 O ATOM 1451 CB ALA A 93 3.349 17.199 -1.121 1.00 0.00 C ATOM 0 H ALA A 93 1.484 17.014 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 93 1.642 17.757 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.049 17.633 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.227 16.137 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.736 17.325 -2.132 1.00 0.00 H new ATOM 1457 N SER A 94 2.939 19.764 -2.208 1.00 0.00 N ATOM 1458 CA SER A 94 3.137 21.162 -2.550 1.00 0.00 C ATOM 1459 C SER A 94 4.072 21.278 -3.755 1.00 0.00 C ATOM 1460 O SER A 94 3.865 22.120 -4.627 1.00 0.00 O ATOM 1461 CB SER A 94 3.702 21.945 -1.362 1.00 0.00 C ATOM 1462 OG SER A 94 3.447 23.342 -1.474 1.00 0.00 O ATOM 0 H SER A 94 3.490 19.107 -2.761 1.00 0.00 H new ATOM 0 HA SER A 94 2.169 21.592 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.262 21.569 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.777 21.777 -1.295 1.00 0.00 H new ATOM 0 HG SER A 94 3.821 23.806 -0.696 1.00 0.00 H new