USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 688 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 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -3.24 K(o=-3.2,f=-5.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 9:sc= -0.47! USER MOD Single : A 31 ASN : amide:sc= 0.3 K(o=0.3,f=-4.3!) USER MOD Single : A 44 SER OG : rot 180:sc= -1.07 USER MOD Single : A 55 SER OG : rot -71:sc= 1.03 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0649 USER MOD Single : A 68 ASN : amide:sc= -0.865 X(o=-0.86,f=-1.2) USER MOD Single : A 71 ASN : amide:sc= -1.65 K(o=-1.6,f=-5.6!) USER MOD Single : A 74 ASN : amide:sc= -4.15! C(o=-4.1!,f=-4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.425 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.37 F(o=-1.9!,f=-1.4) USER MOD Single : A 79 GLN : amide:sc= -0.0858 K(o=-0.086,f=-0.98) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 90 SER OG : rot 180:sc= 0.042 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.367 K(o=-0.37,f=-3.3!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 91:sc= -0.0488 USER MOD Single : A 103 SER OG : rot 180:sc= -2.18 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.217 11.033 -8.031 1.00 0.00 N ATOM 165 CA GLU A 15 -6.617 9.715 -8.496 1.00 0.00 C ATOM 166 C GLU A 15 -5.514 8.694 -8.209 1.00 0.00 C ATOM 167 O GLU A 15 -4.428 9.058 -7.761 1.00 0.00 O ATOM 168 CB GLU A 15 -6.965 9.742 -9.986 1.00 0.00 C ATOM 169 CG GLU A 15 -8.467 9.544 -10.201 1.00 0.00 C ATOM 170 CD GLU A 15 -8.767 9.161 -11.652 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.305 8.074 -12.059 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.451 9.965 -12.321 1.00 0.00 O ATOM 0 HA GLU A 15 -7.513 9.415 -7.952 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.654 10.693 -10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.413 8.959 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.834 8.766 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.999 10.461 -9.946 1.00 0.00 H new ATOM 179 N PRO A 16 -5.840 7.403 -8.487 1.00 0.00 N ATOM 180 CA PRO A 16 -4.889 6.327 -8.263 1.00 0.00 C ATOM 181 C PRO A 16 -3.804 6.321 -9.342 1.00 0.00 C ATOM 182 O PRO A 16 -4.012 6.835 -10.440 1.00 0.00 O ATOM 183 CB PRO A 16 -5.727 5.058 -8.256 1.00 0.00 C ATOM 184 CG PRO A 16 -7.038 5.420 -8.935 1.00 0.00 C ATOM 185 CD PRO A 16 -7.117 6.936 -9.018 1.00 0.00 C ATOM 0 HA PRO A 16 -4.344 6.435 -7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.221 4.253 -8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.898 4.709 -7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.086 4.980 -9.931 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.882 5.024 -8.371 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.264 7.269 -10.045 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.953 7.322 -8.435 1.00 0.00 H new ATOM 193 N ARG A 17 -2.670 5.734 -8.991 1.00 0.00 N ATOM 194 CA ARG A 17 -1.551 5.654 -9.915 1.00 0.00 C ATOM 195 C ARG A 17 -0.826 4.316 -9.757 1.00 0.00 C ATOM 196 O ARG A 17 -1.222 3.484 -8.942 1.00 0.00 O ATOM 197 CB ARG A 17 -0.560 6.795 -9.680 1.00 0.00 C ATOM 198 CG ARG A 17 -0.544 7.213 -8.208 1.00 0.00 C ATOM 199 CD ARG A 17 0.889 7.368 -7.697 1.00 0.00 C ATOM 200 NE ARG A 17 1.509 8.576 -8.286 1.00 0.00 N ATOM 201 CZ ARG A 17 1.139 9.830 -7.993 1.00 0.00 C ATOM 202 NH1 ARG A 17 0.149 10.048 -7.116 1.00 0.00 N ATOM 203 NH2 ARG A 17 1.757 10.865 -8.577 1.00 0.00 N ATOM 0 H ARG A 17 -2.501 5.309 -8.079 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.950 5.737 -10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.439 6.482 -9.984 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.829 7.649 -10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.080 8.154 -8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.069 6.468 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.890 7.442 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.474 6.486 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 17 2.266 8.446 -8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.322 9.260 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.133 11.002 -6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.510 10.699 -9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.475 11.819 -8.354 1.00 0.00 H new ATOM 217 N LYS A 18 0.223 4.151 -10.549 1.00 0.00 N ATOM 218 CA LYS A 18 1.007 2.928 -10.507 1.00 0.00 C ATOM 219 C LYS A 18 2.352 3.213 -9.836 1.00 0.00 C ATOM 220 O LYS A 18 3.134 4.026 -10.326 1.00 0.00 O ATOM 221 CB LYS A 18 1.134 2.325 -11.908 1.00 0.00 C ATOM 222 CG LYS A 18 2.401 1.475 -12.026 1.00 0.00 C ATOM 223 CD LYS A 18 2.535 0.883 -13.430 1.00 0.00 C ATOM 224 CE LYS A 18 1.505 -0.226 -13.658 1.00 0.00 C ATOM 225 NZ LYS A 18 1.190 -0.352 -15.099 1.00 0.00 N ATOM 0 H LYS A 18 0.548 4.844 -11.223 1.00 0.00 H new ATOM 0 HA LYS A 18 0.503 2.172 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.259 1.712 -12.125 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.156 3.123 -12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.275 2.086 -11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.374 0.672 -11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.400 1.668 -14.174 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.540 0.484 -13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.891 -1.173 -13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.596 -0.007 -13.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.490 -1.109 -15.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.802 0.547 -15.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.057 -0.583 -15.625 1.00 0.00 H new ATOM 239 N ILE A 19 2.580 2.527 -8.726 1.00 0.00 N ATOM 240 CA ILE A 19 3.817 2.696 -7.983 1.00 0.00 C ATOM 241 C ILE A 19 4.531 1.347 -7.876 1.00 0.00 C ATOM 242 O ILE A 19 4.089 0.462 -7.146 1.00 0.00 O ATOM 243 CB ILE A 19 3.543 3.355 -6.629 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.867 4.716 -6.809 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.825 3.457 -5.800 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.830 4.962 -5.712 1.00 0.00 C ATOM 0 H ILE A 19 1.929 1.853 -8.323 1.00 0.00 H new ATOM 0 HA ILE A 19 4.489 3.372 -8.511 1.00 0.00 H new ATOM 0 HB ILE A 19 2.850 2.722 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.619 5.505 -6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.386 4.761 -7.786 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.603 3.929 -4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.227 2.459 -5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.559 4.056 -6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.364 5.936 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.067 4.185 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.319 4.941 -4.738 1.00 0.00 H new ATOM 258 N ILE A 20 5.625 1.233 -8.616 1.00 0.00 N ATOM 259 CA ILE A 20 6.405 0.006 -8.613 1.00 0.00 C ATOM 260 C ILE A 20 7.483 0.095 -7.532 1.00 0.00 C ATOM 261 O ILE A 20 8.511 0.741 -7.727 1.00 0.00 O ATOM 262 CB ILE A 20 6.957 -0.279 -10.011 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.942 -1.053 -10.855 1.00 0.00 C ATOM 264 CG2 ILE A 20 8.305 -1.000 -9.931 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.825 -0.455 -12.258 1.00 0.00 C ATOM 0 H ILE A 20 5.989 1.969 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 20 5.774 -0.847 -8.364 1.00 0.00 H new ATOM 0 HB ILE A 20 7.130 0.674 -10.511 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.244 -2.098 -10.925 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.968 -1.035 -10.366 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.676 -1.191 -10.938 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.020 -0.377 -9.393 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.181 -1.946 -9.405 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.097 -1.024 -12.837 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.499 0.583 -12.185 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.795 -0.497 -12.753 1.00 0.00 H new ATOM 277 N LEU A 21 7.212 -0.564 -6.415 1.00 0.00 N ATOM 278 CA LEU A 21 8.146 -0.567 -5.302 1.00 0.00 C ATOM 279 C LEU A 21 9.018 -1.822 -5.378 1.00 0.00 C ATOM 280 O LEU A 21 8.516 -2.917 -5.630 1.00 0.00 O ATOM 281 CB LEU A 21 7.399 -0.417 -3.975 1.00 0.00 C ATOM 282 CG LEU A 21 6.720 0.933 -3.737 1.00 0.00 C ATOM 283 CD1 LEU A 21 7.434 2.049 -4.503 1.00 0.00 C ATOM 284 CD2 LEU A 21 5.230 0.865 -4.079 1.00 0.00 C ATOM 0 H LEU A 21 6.359 -1.100 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 21 8.815 0.291 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.641 -1.198 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.103 -0.596 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 21 6.796 1.171 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.931 2.998 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.469 2.115 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.411 1.830 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.771 1.838 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.109 0.593 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.747 0.116 -3.452 1.00 0.00 H new ATOM 296 N HIS A 22 10.309 -1.622 -5.156 1.00 0.00 N ATOM 297 CA HIS A 22 11.255 -2.723 -5.196 1.00 0.00 C ATOM 298 C HIS A 22 11.754 -3.023 -3.781 1.00 0.00 C ATOM 299 O HIS A 22 12.715 -2.413 -3.316 1.00 0.00 O ATOM 300 CB HIS A 22 12.393 -2.427 -6.175 1.00 0.00 C ATOM 301 CG HIS A 22 11.947 -2.290 -7.612 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.351 -3.160 -8.609 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.127 -1.377 -8.207 1.00 0.00 C ATOM 304 CE1 HIS A 22 11.795 -2.778 -9.749 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.037 -1.672 -9.498 1.00 0.00 N ATOM 0 H HIS A 22 10.722 -0.713 -4.948 1.00 0.00 H new ATOM 0 HA HIS A 22 10.758 -3.620 -5.567 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.890 -1.506 -5.870 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.132 -3.225 -6.109 1.00 0.00 H new ATOM 0 HD1 HIS A 22 12.972 -3.960 -8.487 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.634 -0.553 -7.712 1.00 0.00 H new ATOM 0 HE1 HIS A 22 11.920 -3.258 -10.708 1.00 0.00 H new ATOM 313 N LYS A 23 11.078 -3.963 -3.137 1.00 0.00 N ATOM 314 CA LYS A 23 11.440 -4.352 -1.785 1.00 0.00 C ATOM 315 C LYS A 23 12.963 -4.326 -1.642 1.00 0.00 C ATOM 316 O LYS A 23 13.658 -5.168 -2.209 1.00 0.00 O ATOM 317 CB LYS A 23 10.812 -5.700 -1.428 1.00 0.00 C ATOM 318 CG LYS A 23 9.463 -5.510 -0.732 1.00 0.00 C ATOM 319 CD LYS A 23 9.203 -6.631 0.276 1.00 0.00 C ATOM 320 CE LYS A 23 8.504 -7.817 -0.391 1.00 0.00 C ATOM 321 NZ LYS A 23 9.071 -9.095 0.096 1.00 0.00 N ATOM 0 H LYS A 23 10.281 -4.467 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 23 11.039 -3.640 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.678 -6.294 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.485 -6.258 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.445 -4.547 -0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.666 -5.492 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.147 -6.959 0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.588 -6.255 1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.435 -7.783 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.617 -7.751 -1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.585 -9.889 -0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.086 -9.132 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.941 -9.162 1.126 1.00 0.00 H new ATOM 335 N GLY A 24 13.438 -3.350 -0.882 1.00 0.00 N ATOM 336 CA GLY A 24 14.866 -3.203 -0.657 1.00 0.00 C ATOM 337 C GLY A 24 15.336 -4.098 0.491 1.00 0.00 C ATOM 338 O GLY A 24 16.030 -5.088 0.267 1.00 0.00 O ATOM 0 H GLY A 24 12.859 -2.653 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.409 -3.458 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.096 -2.162 -0.429 1.00 0.00 H new ATOM 342 N SER A 25 14.938 -3.717 1.696 1.00 0.00 N ATOM 343 CA SER A 25 15.309 -4.473 2.881 1.00 0.00 C ATOM 344 C SER A 25 14.100 -5.248 3.407 1.00 0.00 C ATOM 345 O SER A 25 13.504 -4.867 4.414 1.00 0.00 O ATOM 346 CB SER A 25 15.865 -3.553 3.969 1.00 0.00 C ATOM 347 OG SER A 25 16.248 -2.282 3.450 1.00 0.00 O ATOM 0 H SER A 25 14.362 -2.895 1.878 1.00 0.00 H new ATOM 0 HA SER A 25 16.092 -5.179 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.113 -3.415 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.727 -4.027 4.439 1.00 0.00 H new ATOM 0 HG SER A 25 16.596 -1.724 4.176 1.00 0.00 H new ATOM 353 N THR A 26 13.773 -6.322 2.703 1.00 0.00 N ATOM 354 CA THR A 26 12.646 -7.154 3.087 1.00 0.00 C ATOM 355 C THR A 26 11.428 -6.286 3.410 1.00 0.00 C ATOM 356 O THR A 26 10.592 -6.663 4.229 1.00 0.00 O ATOM 357 CB THR A 26 13.087 -8.039 4.255 1.00 0.00 C ATOM 358 OG1 THR A 26 13.353 -7.117 5.308 1.00 0.00 O ATOM 359 CG2 THR A 26 14.437 -8.713 4.000 1.00 0.00 C ATOM 0 H THR A 26 14.269 -6.635 1.869 1.00 0.00 H new ATOM 0 HA THR A 26 12.337 -7.803 2.267 1.00 0.00 H new ATOM 0 HB THR A 26 12.330 -8.801 4.440 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.045 -6.224 5.047 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.704 -9.329 4.859 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.369 -9.340 3.111 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.201 -7.951 3.849 1.00 0.00 H new ATOM 367 N GLY A 27 11.366 -5.140 2.749 1.00 0.00 N ATOM 368 CA GLY A 27 10.265 -4.215 2.955 1.00 0.00 C ATOM 369 C GLY A 27 10.074 -3.310 1.736 1.00 0.00 C ATOM 370 O GLY A 27 11.027 -3.030 1.011 1.00 0.00 O ATOM 0 H GLY A 27 12.061 -4.831 2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.348 -4.772 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.457 -3.606 3.838 1.00 0.00 H new ATOM 374 N LEU A 28 8.835 -2.877 1.549 1.00 0.00 N ATOM 375 CA LEU A 28 8.507 -2.009 0.430 1.00 0.00 C ATOM 376 C LEU A 28 8.817 -0.559 0.808 1.00 0.00 C ATOM 377 O LEU A 28 8.777 0.329 -0.042 1.00 0.00 O ATOM 378 CB LEU A 28 7.060 -2.233 -0.015 1.00 0.00 C ATOM 379 CG LEU A 28 6.813 -3.455 -0.902 1.00 0.00 C ATOM 380 CD1 LEU A 28 5.323 -3.614 -1.213 1.00 0.00 C ATOM 381 CD2 LEU A 28 7.660 -3.389 -2.174 1.00 0.00 C ATOM 0 H LEU A 28 8.047 -3.111 2.153 1.00 0.00 H new ATOM 0 HA LEU A 28 9.124 -2.252 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.437 -2.323 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.724 -1.346 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 28 7.124 -4.344 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.175 -4.490 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.769 -3.739 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.963 -2.726 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.466 -4.269 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.403 -2.491 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.716 -3.359 -1.907 1.00 0.00 H new ATOM 393 N GLY A 29 9.119 -0.365 2.083 1.00 0.00 N ATOM 394 CA GLY A 29 9.436 0.962 2.583 1.00 0.00 C ATOM 395 C GLY A 29 8.161 1.743 2.910 1.00 0.00 C ATOM 396 O GLY A 29 8.136 2.969 2.804 1.00 0.00 O ATOM 0 H GLY A 29 9.151 -1.104 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.056 0.880 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.019 1.505 1.839 1.00 0.00 H new ATOM 400 N PHE A 30 7.135 1.002 3.302 1.00 0.00 N ATOM 401 CA PHE A 30 5.861 1.610 3.645 1.00 0.00 C ATOM 402 C PHE A 30 4.946 0.606 4.349 1.00 0.00 C ATOM 403 O PHE A 30 4.947 -0.579 4.017 1.00 0.00 O ATOM 404 CB PHE A 30 5.206 2.046 2.333 1.00 0.00 C ATOM 405 CG PHE A 30 4.596 0.896 1.530 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.525 0.216 2.020 1.00 0.00 C ATOM 407 CD2 PHE A 30 5.125 0.552 0.325 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.959 -0.851 1.274 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.559 -0.515 -0.421 1.00 0.00 C ATOM 410 CZ PHE A 30 3.488 -1.195 0.070 1.00 0.00 C ATOM 0 H PHE A 30 7.160 -0.014 3.390 1.00 0.00 H new ATOM 0 HA PHE A 30 6.020 2.451 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.427 2.776 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.950 2.551 1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.105 0.488 2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.976 1.091 -0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.108 -1.390 1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.979 -0.787 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.058 -2.008 -0.497 1.00 0.00 H new ATOM 420 N ASN A 31 4.189 1.116 5.309 1.00 0.00 N ATOM 421 CA ASN A 31 3.271 0.278 6.063 1.00 0.00 C ATOM 422 C ASN A 31 1.876 0.373 5.444 1.00 0.00 C ATOM 423 O ASN A 31 1.660 1.134 4.502 1.00 0.00 O ATOM 424 CB ASN A 31 3.175 0.738 7.519 1.00 0.00 C ATOM 425 CG ASN A 31 3.212 -0.456 8.475 1.00 0.00 C ATOM 426 OD1 ASN A 31 2.476 -1.419 8.334 1.00 0.00 O ATOM 427 ND2 ASN A 31 4.106 -0.339 9.452 1.00 0.00 N ATOM 0 H ASN A 31 4.192 2.099 5.582 1.00 0.00 H new ATOM 0 HA ASN A 31 3.645 -0.745 6.032 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.999 1.415 7.745 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.252 1.298 7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.207 -1.083 10.142 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.691 0.495 9.511 1.00 0.00 H new ATOM 434 N ILE A 32 0.963 -0.411 5.999 1.00 0.00 N ATOM 435 CA ILE A 32 -0.407 -0.426 5.513 1.00 0.00 C ATOM 436 C ILE A 32 -1.366 -0.433 6.705 1.00 0.00 C ATOM 437 O ILE A 32 -1.009 -0.889 7.790 1.00 0.00 O ATOM 438 CB ILE A 32 -0.620 -1.591 4.544 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.000 -2.878 5.091 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.092 -1.248 3.150 1.00 0.00 C ATOM 441 CD1 ILE A 32 -0.870 -4.091 4.755 1.00 0.00 C ATOM 0 H ILE A 32 1.145 -1.041 6.781 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.618 0.477 4.939 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.692 -1.765 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.997 -3.013 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.118 -2.799 6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.256 -2.093 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.618 -0.374 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.975 -1.033 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.407 -4.993 5.155 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.858 -3.964 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.966 -4.182 3.673 1.00 0.00 H new ATOM 453 N VAL A 33 -2.565 0.076 6.462 1.00 0.00 N ATOM 454 CA VAL A 33 -3.578 0.134 7.502 1.00 0.00 C ATOM 455 C VAL A 33 -4.945 -0.183 6.894 1.00 0.00 C ATOM 456 O VAL A 33 -5.059 -0.390 5.687 1.00 0.00 O ATOM 457 CB VAL A 33 -3.534 1.495 8.200 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.104 1.860 8.600 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.153 2.582 7.320 1.00 0.00 C ATOM 0 H VAL A 33 -2.858 0.452 5.560 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.382 -0.615 8.269 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.128 1.424 9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.101 2.832 9.094 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.713 1.105 9.282 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.477 1.904 7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.109 3.539 7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.599 2.651 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.192 2.331 7.109 1.00 0.00 H new ATOM 469 N GLY A 34 -5.950 -0.210 7.757 1.00 0.00 N ATOM 470 CA GLY A 34 -7.305 -0.497 7.320 1.00 0.00 C ATOM 471 C GLY A 34 -7.732 -1.904 7.745 1.00 0.00 C ATOM 472 O GLY A 34 -7.079 -2.528 8.580 1.00 0.00 O ATOM 0 H GLY A 34 -5.852 -0.038 8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.990 0.238 7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.368 -0.406 6.236 1.00 0.00 H new ATOM 476 N GLY A 35 -8.824 -2.361 7.151 1.00 0.00 N ATOM 477 CA GLY A 35 -9.346 -3.682 7.458 1.00 0.00 C ATOM 478 C GLY A 35 -10.592 -3.589 8.341 1.00 0.00 C ATOM 479 O GLY A 35 -10.887 -4.507 9.104 1.00 0.00 O ATOM 0 H GLY A 35 -9.362 -1.840 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.590 -4.204 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.581 -4.271 7.964 1.00 0.00 H new ATOM 483 N GLU A 36 -11.289 -2.470 8.208 1.00 0.00 N ATOM 484 CA GLU A 36 -12.497 -2.245 8.984 1.00 0.00 C ATOM 485 C GLU A 36 -13.684 -1.982 8.055 1.00 0.00 C ATOM 486 O GLU A 36 -13.676 -1.019 7.289 1.00 0.00 O ATOM 487 CB GLU A 36 -12.307 -1.090 9.970 1.00 0.00 C ATOM 488 CG GLU A 36 -11.136 -1.365 10.916 1.00 0.00 C ATOM 489 CD GLU A 36 -11.581 -1.283 12.378 1.00 0.00 C ATOM 490 OE1 GLU A 36 -11.907 -0.157 12.810 1.00 0.00 O ATOM 491 OE2 GLU A 36 -11.585 -2.350 13.030 1.00 0.00 O ATOM 0 H GLU A 36 -11.041 -1.710 7.575 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.706 -3.144 9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.127 -0.165 9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.220 -0.946 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.724 -2.353 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.339 -0.644 10.734 1.00 0.00 H new ATOM 498 N ASP A 37 -14.675 -2.856 8.153 1.00 0.00 N ATOM 499 CA ASP A 37 -15.867 -2.730 7.330 1.00 0.00 C ATOM 500 C ASP A 37 -15.462 -2.329 5.911 1.00 0.00 C ATOM 501 O ASP A 37 -16.196 -1.614 5.231 1.00 0.00 O ATOM 502 CB ASP A 37 -16.803 -1.651 7.878 1.00 0.00 C ATOM 503 CG ASP A 37 -17.647 -2.077 9.081 1.00 0.00 C ATOM 504 OD1 ASP A 37 -18.750 -2.613 8.838 1.00 0.00 O ATOM 505 OD2 ASP A 37 -17.171 -1.856 10.215 1.00 0.00 O ATOM 0 H ASP A 37 -14.678 -3.654 8.789 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.383 -3.690 7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.207 -0.783 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.472 -1.331 7.079 1.00 0.00 H new ATOM 510 N GLY A 38 -14.294 -2.807 5.505 1.00 0.00 N ATOM 511 CA GLY A 38 -13.783 -2.506 4.179 1.00 0.00 C ATOM 512 C GLY A 38 -13.700 -0.996 3.952 1.00 0.00 C ATOM 513 O GLY A 38 -14.208 -0.485 2.955 1.00 0.00 O ATOM 0 H GLY A 38 -13.688 -3.400 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.795 -2.950 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.430 -2.955 3.426 1.00 0.00 H new ATOM 517 N GLU A 39 -13.055 -0.323 4.894 1.00 0.00 N ATOM 518 CA GLU A 39 -12.899 1.120 4.809 1.00 0.00 C ATOM 519 C GLU A 39 -11.801 1.477 3.806 1.00 0.00 C ATOM 520 O GLU A 39 -11.637 2.642 3.448 1.00 0.00 O ATOM 521 CB GLU A 39 -12.602 1.721 6.184 1.00 0.00 C ATOM 522 CG GLU A 39 -11.130 1.532 6.559 1.00 0.00 C ATOM 523 CD GLU A 39 -10.408 2.879 6.641 1.00 0.00 C ATOM 524 OE1 GLU A 39 -11.078 3.858 7.034 1.00 0.00 O ATOM 525 OE2 GLU A 39 -9.204 2.898 6.309 1.00 0.00 O ATOM 0 H GLU A 39 -12.635 -0.750 5.720 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.838 1.547 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.847 2.783 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.236 1.250 6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.058 1.018 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.641 0.898 5.820 1.00 0.00 H new ATOM 532 N GLY A 40 -11.077 0.452 3.379 1.00 0.00 N ATOM 533 CA GLY A 40 -10.000 0.643 2.424 1.00 0.00 C ATOM 534 C GLY A 40 -8.636 0.565 3.113 1.00 0.00 C ATOM 535 O GLY A 40 -8.513 0.891 4.293 1.00 0.00 O ATOM 0 H GLY A 40 -11.216 -0.513 3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.062 -0.116 1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.110 1.611 1.935 1.00 0.00 H new ATOM 539 N ILE A 41 -7.645 0.132 2.347 1.00 0.00 N ATOM 540 CA ILE A 41 -6.295 0.007 2.869 1.00 0.00 C ATOM 541 C ILE A 41 -5.514 1.287 2.562 1.00 0.00 C ATOM 542 O ILE A 41 -5.586 1.811 1.452 1.00 0.00 O ATOM 543 CB ILE A 41 -5.629 -1.262 2.335 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.469 -2.500 2.659 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.196 -1.390 2.854 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.471 -2.782 4.163 1.00 0.00 C ATOM 0 H ILE A 41 -7.750 -0.137 1.369 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.315 -0.103 3.953 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.572 -1.186 1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.491 -2.351 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.073 -3.363 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.746 -2.301 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.613 -0.527 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.206 -1.433 3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.075 -3.666 4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.450 -2.954 4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.890 -1.927 4.693 1.00 0.00 H new ATOM 558 N PHE A 42 -4.785 1.752 3.566 1.00 0.00 N ATOM 559 CA PHE A 42 -3.992 2.960 3.418 1.00 0.00 C ATOM 560 C PHE A 42 -2.579 2.759 3.969 1.00 0.00 C ATOM 561 O PHE A 42 -2.313 1.779 4.663 1.00 0.00 O ATOM 562 CB PHE A 42 -4.690 4.056 4.226 1.00 0.00 C ATOM 563 CG PHE A 42 -6.051 4.472 3.665 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.136 3.673 3.849 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.176 5.641 2.981 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.399 4.059 3.328 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.439 6.027 2.460 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.524 5.228 2.644 1.00 0.00 C ATOM 0 H PHE A 42 -4.727 1.314 4.485 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.908 3.223 2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.822 3.709 5.251 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.042 4.932 4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.037 2.745 4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.314 6.276 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.261 3.424 3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.538 6.955 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.485 5.522 2.247 1.00 0.00 H new ATOM 578 N VAL A 43 -1.709 3.702 3.638 1.00 0.00 N ATOM 579 CA VAL A 43 -0.330 3.641 4.090 1.00 0.00 C ATOM 580 C VAL A 43 -0.228 4.256 5.487 1.00 0.00 C ATOM 581 O VAL A 43 -0.673 5.382 5.708 1.00 0.00 O ATOM 582 CB VAL A 43 0.586 4.319 3.070 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.975 4.570 3.662 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.679 3.496 1.784 1.00 0.00 C ATOM 0 H VAL A 43 -1.933 4.513 3.062 1.00 0.00 H new ATOM 0 HA VAL A 43 0.001 2.605 4.166 1.00 0.00 H new ATOM 0 HB VAL A 43 0.149 5.285 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.607 5.053 2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.887 5.216 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.422 3.620 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.336 4.001 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.081 2.509 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.314 3.391 1.346 1.00 0.00 H new ATOM 594 N SER A 44 0.360 3.491 6.395 1.00 0.00 N ATOM 595 CA SER A 44 0.526 3.947 7.765 1.00 0.00 C ATOM 596 C SER A 44 1.795 4.793 7.884 1.00 0.00 C ATOM 597 O SER A 44 1.838 5.746 8.661 1.00 0.00 O ATOM 598 CB SER A 44 0.583 2.765 8.735 1.00 0.00 C ATOM 599 OG SER A 44 1.863 2.639 9.349 1.00 0.00 O ATOM 0 H SER A 44 0.728 2.558 6.209 1.00 0.00 H new ATOM 0 HA SER A 44 -0.337 4.558 8.030 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.178 2.891 9.505 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.345 1.845 8.200 1.00 0.00 H new ATOM 0 HG SER A 44 1.858 1.874 9.962 1.00 0.00 H new ATOM 605 N PHE A 45 2.796 4.415 7.104 1.00 0.00 N ATOM 606 CA PHE A 45 4.062 5.128 7.112 1.00 0.00 C ATOM 607 C PHE A 45 4.895 4.781 5.876 1.00 0.00 C ATOM 608 O PHE A 45 4.592 3.822 5.168 1.00 0.00 O ATOM 609 CB PHE A 45 4.819 4.680 8.364 1.00 0.00 C ATOM 610 CG PHE A 45 6.274 5.151 8.414 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.569 6.397 8.873 1.00 0.00 C ATOM 612 CD2 PHE A 45 7.271 4.325 8.000 1.00 0.00 C ATOM 613 CE1 PHE A 45 7.919 6.835 8.920 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.621 4.763 8.046 1.00 0.00 C ATOM 615 CZ PHE A 45 8.917 6.008 8.506 1.00 0.00 C ATOM 0 H PHE A 45 2.756 3.624 6.462 1.00 0.00 H new ATOM 0 HA PHE A 45 3.883 6.203 7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.297 5.053 9.245 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.798 3.592 8.419 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.777 7.053 9.202 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.036 3.336 7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.154 7.824 9.284 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.413 4.107 7.716 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.944 6.340 8.543 1.00 0.00 H new ATOM 625 N ILE A 46 5.928 5.581 5.655 1.00 0.00 N ATOM 626 CA ILE A 46 6.806 5.371 4.517 1.00 0.00 C ATOM 627 C ILE A 46 8.262 5.471 4.977 1.00 0.00 C ATOM 628 O ILE A 46 8.656 6.460 5.592 1.00 0.00 O ATOM 629 CB ILE A 46 6.453 6.335 3.382 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.020 6.107 2.896 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.468 6.235 2.242 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.006 5.370 1.555 1.00 0.00 C ATOM 0 H ILE A 46 6.176 6.375 6.245 1.00 0.00 H new ATOM 0 HA ILE A 46 6.667 4.370 4.109 1.00 0.00 H new ATOM 0 HB ILE A 46 6.504 7.353 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.468 5.530 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.510 7.065 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.194 6.930 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.461 6.485 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.474 5.219 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.976 5.221 1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.538 5.961 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.495 4.402 1.667 1.00 0.00 H new ATOM 644 N LEU A 47 9.021 4.432 4.661 1.00 0.00 N ATOM 645 CA LEU A 47 10.425 4.390 5.034 1.00 0.00 C ATOM 646 C LEU A 47 11.197 5.425 4.214 1.00 0.00 C ATOM 647 O LEU A 47 10.947 5.590 3.021 1.00 0.00 O ATOM 648 CB LEU A 47 10.972 2.967 4.901 1.00 0.00 C ATOM 649 CG LEU A 47 12.440 2.774 5.290 1.00 0.00 C ATOM 650 CD1 LEU A 47 13.370 3.220 4.160 1.00 0.00 C ATOM 651 CD2 LEU A 47 12.756 3.486 6.607 1.00 0.00 C ATOM 0 H LEU A 47 8.690 3.613 4.151 1.00 0.00 H new ATOM 0 HA LEU A 47 10.549 4.658 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.363 2.306 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.845 2.645 3.867 1.00 0.00 H new ATOM 0 HG LEU A 47 12.614 1.710 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.407 3.072 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.165 2.631 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.202 4.275 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.805 3.333 6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.560 4.553 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.128 3.080 7.400 1.00 0.00 H new ATOM 663 N ALA A 48 12.121 6.096 4.886 1.00 0.00 N ATOM 664 CA ALA A 48 12.932 7.111 4.234 1.00 0.00 C ATOM 665 C ALA A 48 14.160 6.450 3.606 1.00 0.00 C ATOM 666 O ALA A 48 15.085 6.052 4.313 1.00 0.00 O ATOM 667 CB ALA A 48 13.306 8.194 5.248 1.00 0.00 C ATOM 0 H ALA A 48 12.326 5.957 5.875 1.00 0.00 H new ATOM 0 HA ALA A 48 12.372 7.594 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.914 8.955 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.399 8.652 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.872 7.747 6.066 1.00 0.00 H new ATOM 673 N GLY A 49 14.130 6.353 2.285 1.00 0.00 N ATOM 674 CA GLY A 49 15.230 5.748 1.554 1.00 0.00 C ATOM 675 C GLY A 49 14.777 4.474 0.838 1.00 0.00 C ATOM 676 O GLY A 49 15.493 3.947 -0.012 1.00 0.00 O ATOM 0 H GLY A 49 13.361 6.683 1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.622 6.459 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.043 5.514 2.241 1.00 0.00 H new ATOM 680 N GLY A 50 13.590 4.016 1.208 1.00 0.00 N ATOM 681 CA GLY A 50 13.032 2.813 0.612 1.00 0.00 C ATOM 682 C GLY A 50 12.506 3.093 -0.797 1.00 0.00 C ATOM 683 O GLY A 50 12.701 4.184 -1.331 1.00 0.00 O ATOM 0 H GLY A 50 12.999 4.456 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.795 2.035 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.224 2.434 1.237 1.00 0.00 H new ATOM 687 N PRO A 51 11.834 2.062 -1.375 1.00 0.00 N ATOM 688 CA PRO A 51 11.278 2.187 -2.712 1.00 0.00 C ATOM 689 C PRO A 51 10.016 3.051 -2.703 1.00 0.00 C ATOM 690 O PRO A 51 9.757 3.788 -3.653 1.00 0.00 O ATOM 691 CB PRO A 51 11.017 0.759 -3.164 1.00 0.00 C ATOM 692 CG PRO A 51 10.999 -0.082 -1.898 1.00 0.00 C ATOM 693 CD PRO A 51 11.584 0.756 -0.773 1.00 0.00 C ATOM 0 HA PRO A 51 11.953 2.693 -3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.068 0.685 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.794 0.418 -3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 51 9.981 -0.387 -1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.580 -0.993 -2.037 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.891 0.832 0.065 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.503 0.315 -0.388 1.00 0.00 H new ATOM 701 N ALA A 52 9.263 2.932 -1.619 1.00 0.00 N ATOM 702 CA ALA A 52 8.034 3.693 -1.475 1.00 0.00 C ATOM 703 C ALA A 52 8.374 5.177 -1.317 1.00 0.00 C ATOM 704 O ALA A 52 7.509 6.036 -1.482 1.00 0.00 O ATOM 705 CB ALA A 52 7.233 3.150 -0.290 1.00 0.00 C ATOM 0 H ALA A 52 9.481 2.320 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 52 7.412 3.589 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.311 3.721 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.992 2.101 -0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.825 3.240 0.621 1.00 0.00 H new ATOM 711 N ASP A 53 9.635 5.432 -1.001 1.00 0.00 N ATOM 712 CA ASP A 53 10.099 6.797 -0.820 1.00 0.00 C ATOM 713 C ASP A 53 10.969 7.198 -2.013 1.00 0.00 C ATOM 714 O ASP A 53 10.716 8.215 -2.656 1.00 0.00 O ATOM 715 CB ASP A 53 10.947 6.926 0.448 1.00 0.00 C ATOM 716 CG ASP A 53 11.713 8.244 0.581 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.066 9.240 0.970 1.00 0.00 O ATOM 718 OD2 ASP A 53 12.929 8.225 0.291 1.00 0.00 O ATOM 0 H ASP A 53 10.350 4.717 -0.866 1.00 0.00 H new ATOM 0 HA ASP A 53 9.225 7.443 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.297 6.812 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.662 6.103 0.475 1.00 0.00 H new ATOM 723 N LEU A 54 11.976 6.377 -2.272 1.00 0.00 N ATOM 724 CA LEU A 54 12.885 6.633 -3.377 1.00 0.00 C ATOM 725 C LEU A 54 12.078 6.801 -4.666 1.00 0.00 C ATOM 726 O LEU A 54 12.221 7.803 -5.366 1.00 0.00 O ATOM 727 CB LEU A 54 13.952 5.540 -3.457 1.00 0.00 C ATOM 728 CG LEU A 54 15.011 5.554 -2.352 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.073 4.480 -2.598 1.00 0.00 C ATOM 730 CD2 LEU A 54 15.627 6.946 -2.200 1.00 0.00 C ATOM 0 H LEU A 54 12.183 5.534 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 54 13.428 7.564 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.453 4.571 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.458 5.624 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 54 14.523 5.314 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.814 4.511 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.600 3.498 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.563 4.665 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.376 6.928 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.098 7.240 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.847 7.663 -1.945 1.00 0.00 H new ATOM 742 N SER A 55 11.249 5.806 -4.941 1.00 0.00 N ATOM 743 CA SER A 55 10.419 5.831 -6.134 1.00 0.00 C ATOM 744 C SER A 55 9.918 7.253 -6.393 1.00 0.00 C ATOM 745 O SER A 55 9.748 7.655 -7.543 1.00 0.00 O ATOM 746 CB SER A 55 9.238 4.867 -6.004 1.00 0.00 C ATOM 747 OG SER A 55 8.361 5.238 -4.945 1.00 0.00 O ATOM 0 H SER A 55 11.134 4.977 -4.358 1.00 0.00 H new ATOM 0 HA SER A 55 11.026 5.507 -6.980 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.684 4.844 -6.942 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.611 3.858 -5.829 1.00 0.00 H new ATOM 0 HG SER A 55 8.795 5.063 -4.084 1.00 0.00 H new ATOM 753 N GLY A 56 9.695 7.975 -5.305 1.00 0.00 N ATOM 754 CA GLY A 56 9.217 9.344 -5.400 1.00 0.00 C ATOM 755 C GLY A 56 7.759 9.384 -5.864 1.00 0.00 C ATOM 756 O GLY A 56 7.341 10.331 -6.528 1.00 0.00 O ATOM 0 H GLY A 56 9.836 7.638 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.307 9.833 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.840 9.903 -6.098 1.00 0.00 H new ATOM 760 N GLU A 57 7.026 8.344 -5.497 1.00 0.00 N ATOM 761 CA GLU A 57 5.624 8.248 -5.867 1.00 0.00 C ATOM 762 C GLU A 57 4.764 7.987 -4.628 1.00 0.00 C ATOM 763 O GLU A 57 3.938 8.819 -4.256 1.00 0.00 O ATOM 764 CB GLU A 57 5.408 7.162 -6.922 1.00 0.00 C ATOM 765 CG GLU A 57 6.445 7.272 -8.043 1.00 0.00 C ATOM 766 CD GLU A 57 5.788 7.700 -9.357 1.00 0.00 C ATOM 767 OE1 GLU A 57 5.124 8.758 -9.341 1.00 0.00 O ATOM 768 OE2 GLU A 57 5.966 6.958 -10.347 1.00 0.00 O ATOM 0 H GLU A 57 7.376 7.560 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 57 5.319 9.199 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.474 6.179 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.405 7.250 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.212 7.994 -7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.944 6.312 -8.177 1.00 0.00 H new ATOM 775 N LEU A 58 4.988 6.830 -4.025 1.00 0.00 N ATOM 776 CA LEU A 58 4.244 6.449 -2.836 1.00 0.00 C ATOM 777 C LEU A 58 4.412 7.531 -1.767 1.00 0.00 C ATOM 778 O LEU A 58 5.463 8.162 -1.677 1.00 0.00 O ATOM 779 CB LEU A 58 4.660 5.053 -2.368 1.00 0.00 C ATOM 780 CG LEU A 58 3.519 4.067 -2.103 1.00 0.00 C ATOM 781 CD1 LEU A 58 4.063 2.695 -1.702 1.00 0.00 C ATOM 782 CD2 LEU A 58 2.544 4.624 -1.065 1.00 0.00 C ATOM 0 H LEU A 58 5.674 6.143 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 58 3.179 6.381 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.320 4.621 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.244 5.157 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 58 2.960 3.933 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.232 2.013 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.685 2.301 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.660 2.791 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.743 3.904 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.073 4.806 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.120 5.560 -1.430 1.00 0.00 H new ATOM 794 N ARG A 59 3.359 7.711 -0.983 1.00 0.00 N ATOM 795 CA ARG A 59 3.376 8.706 0.076 1.00 0.00 C ATOM 796 C ARG A 59 2.562 8.217 1.276 1.00 0.00 C ATOM 797 O ARG A 59 1.629 7.431 1.119 1.00 0.00 O ATOM 798 CB ARG A 59 2.803 10.039 -0.411 1.00 0.00 C ATOM 799 CG ARG A 59 3.596 10.572 -1.606 1.00 0.00 C ATOM 800 CD ARG A 59 3.581 12.102 -1.635 1.00 0.00 C ATOM 801 NE ARG A 59 4.859 12.610 -2.183 1.00 0.00 N ATOM 802 CZ ARG A 59 5.168 12.615 -3.487 1.00 0.00 C ATOM 803 NH1 ARG A 59 4.293 12.140 -4.384 1.00 0.00 N ATOM 804 NH2 ARG A 59 6.351 13.095 -3.893 1.00 0.00 N ATOM 0 H ARG A 59 2.489 7.185 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 59 4.414 8.857 0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.758 9.909 -0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.827 10.767 0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.625 10.216 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.172 10.183 -2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.749 12.454 -2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.427 12.492 -0.629 1.00 0.00 H new ATOM 0 HE ARG A 59 5.547 12.979 -1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.392 11.775 -4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.528 12.144 -5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.016 13.457 -3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.586 13.099 -4.885 1.00 0.00 H new ATOM 818 N ARG A 60 2.946 8.702 2.448 1.00 0.00 N ATOM 819 CA ARG A 60 2.264 8.324 3.674 1.00 0.00 C ATOM 820 C ARG A 60 0.879 8.974 3.733 1.00 0.00 C ATOM 821 O ARG A 60 0.746 10.123 4.150 1.00 0.00 O ATOM 822 CB ARG A 60 3.069 8.745 4.904 1.00 0.00 C ATOM 823 CG ARG A 60 2.252 8.559 6.185 1.00 0.00 C ATOM 824 CD ARG A 60 3.071 8.944 7.418 1.00 0.00 C ATOM 825 NE ARG A 60 3.103 10.417 7.566 1.00 0.00 N ATOM 826 CZ ARG A 60 4.007 11.211 6.978 1.00 0.00 C ATOM 827 NH1 ARG A 60 4.961 10.680 6.200 1.00 0.00 N ATOM 828 NH2 ARG A 60 3.959 12.537 7.168 1.00 0.00 N ATOM 0 H ARG A 60 3.721 9.353 2.574 1.00 0.00 H new ATOM 0 HA ARG A 60 2.161 7.239 3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.984 8.156 4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.368 9.789 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.350 9.170 6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.930 7.521 6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.637 8.490 8.309 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.086 8.558 7.326 1.00 0.00 H new ATOM 0 HE ARG A 60 2.392 10.854 8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.998 9.671 6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.649 11.285 5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.234 12.941 7.761 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.648 13.142 6.720 1.00 0.00 H new ATOM 842 N GLY A 61 -0.116 8.209 3.309 1.00 0.00 N ATOM 843 CA GLY A 61 -1.485 8.696 3.308 1.00 0.00 C ATOM 844 C GLY A 61 -2.278 8.101 2.142 1.00 0.00 C ATOM 845 O GLY A 61 -3.505 8.031 2.193 1.00 0.00 O ATOM 0 H GLY A 61 -0.002 7.256 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.968 8.437 4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.488 9.784 3.237 1.00 0.00 H new ATOM 849 N ASP A 62 -1.544 7.687 1.120 1.00 0.00 N ATOM 850 CA ASP A 62 -2.163 7.100 -0.057 1.00 0.00 C ATOM 851 C ASP A 62 -3.043 5.923 0.369 1.00 0.00 C ATOM 852 O ASP A 62 -2.874 5.380 1.459 1.00 0.00 O ATOM 853 CB ASP A 62 -1.107 6.574 -1.030 1.00 0.00 C ATOM 854 CG ASP A 62 -1.115 7.233 -2.411 1.00 0.00 C ATOM 855 OD1 ASP A 62 -0.694 8.408 -2.481 1.00 0.00 O ATOM 856 OD2 ASP A 62 -1.541 6.547 -3.365 1.00 0.00 O ATOM 0 H ASP A 62 -0.526 7.746 1.082 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.753 7.873 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.122 6.712 -0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.252 5.501 -1.155 1.00 0.00 H new ATOM 861 N ARG A 63 -3.963 5.563 -0.514 1.00 0.00 N ATOM 862 CA ARG A 63 -4.869 4.460 -0.244 1.00 0.00 C ATOM 863 C ARG A 63 -4.581 3.292 -1.189 1.00 0.00 C ATOM 864 O ARG A 63 -4.810 3.392 -2.393 1.00 0.00 O ATOM 865 CB ARG A 63 -6.328 4.893 -0.409 1.00 0.00 C ATOM 866 CG ARG A 63 -7.281 3.748 -0.060 1.00 0.00 C ATOM 867 CD ARG A 63 -8.485 3.730 -1.005 1.00 0.00 C ATOM 868 NE ARG A 63 -9.709 4.125 -0.274 1.00 0.00 N ATOM 869 CZ ARG A 63 -10.101 5.394 -0.096 1.00 0.00 C ATOM 870 NH1 ARG A 63 -9.368 6.399 -0.595 1.00 0.00 N ATOM 871 NH2 ARG A 63 -11.227 5.659 0.582 1.00 0.00 N ATOM 0 H ARG A 63 -4.100 6.016 -1.417 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.709 4.145 0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.532 5.750 0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.502 5.216 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.751 2.797 -0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.623 3.856 0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.314 4.411 -1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.610 2.733 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.291 3.385 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.511 6.198 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.667 7.365 -0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.785 4.895 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.525 6.625 0.718 1.00 0.00 H new ATOM 885 N ILE A 64 -4.082 2.211 -0.607 1.00 0.00 N ATOM 886 CA ILE A 64 -3.760 1.025 -1.383 1.00 0.00 C ATOM 887 C ILE A 64 -5.034 0.489 -2.039 1.00 0.00 C ATOM 888 O ILE A 64 -6.074 0.386 -1.391 1.00 0.00 O ATOM 889 CB ILE A 64 -3.036 -0.004 -0.512 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.753 0.584 0.079 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.769 -1.292 -1.293 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.676 0.743 -0.996 1.00 0.00 C ATOM 0 H ILE A 64 -3.893 2.132 0.392 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.067 1.272 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.686 -0.263 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.967 1.553 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.385 -0.064 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.254 -2.006 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.715 -1.719 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.148 -1.069 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.225 1.163 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.447 -0.231 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.038 1.411 -1.778 1.00 0.00 H new ATOM 904 N LEU A 65 -4.910 0.160 -3.316 1.00 0.00 N ATOM 905 CA LEU A 65 -6.038 -0.363 -4.067 1.00 0.00 C ATOM 906 C LEU A 65 -5.776 -1.830 -4.417 1.00 0.00 C ATOM 907 O LEU A 65 -6.589 -2.700 -4.110 1.00 0.00 O ATOM 908 CB LEU A 65 -6.327 0.517 -5.284 1.00 0.00 C ATOM 909 CG LEU A 65 -7.031 1.846 -4.999 1.00 0.00 C ATOM 910 CD1 LEU A 65 -6.912 2.797 -6.191 1.00 0.00 C ATOM 911 CD2 LEU A 65 -8.488 1.618 -4.591 1.00 0.00 C ATOM 0 H LEU A 65 -4.045 0.246 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.944 -0.336 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.383 0.729 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.939 -0.053 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.531 2.323 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.421 3.733 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.860 2.996 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.371 2.340 -7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.965 2.578 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.016 1.109 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.522 1.005 -3.691 1.00 0.00 H new ATOM 923 N SER A 66 -4.638 -2.057 -5.057 1.00 0.00 N ATOM 924 CA SER A 66 -4.259 -3.403 -5.452 1.00 0.00 C ATOM 925 C SER A 66 -2.785 -3.649 -5.125 1.00 0.00 C ATOM 926 O SER A 66 -2.015 -2.703 -4.961 1.00 0.00 O ATOM 927 CB SER A 66 -4.516 -3.632 -6.943 1.00 0.00 C ATOM 928 OG SER A 66 -4.347 -2.439 -7.704 1.00 0.00 O ATOM 0 H SER A 66 -3.967 -1.332 -5.312 1.00 0.00 H new ATOM 0 HA SER A 66 -4.872 -4.109 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.836 -4.398 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.529 -4.010 -7.082 1.00 0.00 H new ATOM 0 HG SER A 66 -4.518 -2.628 -8.650 1.00 0.00 H new ATOM 934 N VAL A 67 -2.435 -4.924 -5.039 1.00 0.00 N ATOM 935 CA VAL A 67 -1.066 -5.306 -4.734 1.00 0.00 C ATOM 936 C VAL A 67 -0.505 -6.141 -5.887 1.00 0.00 C ATOM 937 O VAL A 67 -0.824 -7.322 -6.015 1.00 0.00 O ATOM 938 CB VAL A 67 -1.013 -6.032 -3.389 1.00 0.00 C ATOM 939 CG1 VAL A 67 -0.086 -7.247 -3.458 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.588 -5.081 -2.268 1.00 0.00 C ATOM 0 H VAL A 67 -3.076 -5.706 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.436 -4.422 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.017 -6.389 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.066 -7.745 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.451 -7.941 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.921 -6.922 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.559 -5.623 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.401 -4.679 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.304 -4.262 -2.195 1.00 0.00 H new ATOM 950 N ASN A 68 0.320 -5.494 -6.697 1.00 0.00 N ATOM 951 CA ASN A 68 0.929 -6.163 -7.834 1.00 0.00 C ATOM 952 C ASN A 68 -0.133 -6.395 -8.911 1.00 0.00 C ATOM 953 O ASN A 68 0.144 -6.256 -10.102 1.00 0.00 O ATOM 954 CB ASN A 68 1.501 -7.524 -7.433 1.00 0.00 C ATOM 955 CG ASN A 68 2.759 -7.849 -8.240 1.00 0.00 C ATOM 956 OD1 ASN A 68 2.977 -7.345 -9.329 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.572 -8.718 -7.646 1.00 0.00 N ATOM 0 H ASN A 68 0.581 -4.514 -6.589 1.00 0.00 H new ATOM 0 HA ASN A 68 1.735 -5.530 -8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.737 -7.524 -6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.751 -8.299 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.439 -9.000 -8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.329 -9.102 -6.733 1.00 0.00 H new ATOM 964 N GLY A 69 -1.327 -6.746 -8.455 1.00 0.00 N ATOM 965 CA GLY A 69 -2.431 -6.999 -9.364 1.00 0.00 C ATOM 966 C GLY A 69 -3.694 -7.395 -8.596 1.00 0.00 C ATOM 967 O GLY A 69 -4.808 -7.173 -9.069 1.00 0.00 O ATOM 0 H GLY A 69 -1.553 -6.861 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.628 -6.108 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.160 -7.794 -10.059 1.00 0.00 H new ATOM 971 N VAL A 70 -3.478 -7.974 -7.424 1.00 0.00 N ATOM 972 CA VAL A 70 -4.585 -8.403 -6.586 1.00 0.00 C ATOM 973 C VAL A 70 -5.544 -7.230 -6.376 1.00 0.00 C ATOM 974 O VAL A 70 -5.407 -6.189 -7.017 1.00 0.00 O ATOM 975 CB VAL A 70 -4.053 -8.983 -5.274 1.00 0.00 C ATOM 976 CG1 VAL A 70 -2.930 -9.989 -5.534 1.00 0.00 C ATOM 977 CG2 VAL A 70 -3.587 -7.871 -4.332 1.00 0.00 C ATOM 0 H VAL A 70 -2.553 -8.156 -7.035 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.148 -9.199 -7.074 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.871 -9.514 -4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.570 -10.386 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.308 -10.806 -6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.110 -9.493 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.214 -8.310 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.791 -7.300 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.424 -7.210 -4.108 1.00 0.00 H new ATOM 987 N ASN A 71 -6.495 -7.438 -5.477 1.00 0.00 N ATOM 988 CA ASN A 71 -7.477 -6.411 -5.175 1.00 0.00 C ATOM 989 C ASN A 71 -7.570 -6.232 -3.658 1.00 0.00 C ATOM 990 O ASN A 71 -7.959 -7.154 -2.943 1.00 0.00 O ATOM 991 CB ASN A 71 -8.862 -6.805 -5.691 1.00 0.00 C ATOM 992 CG ASN A 71 -9.879 -5.689 -5.438 1.00 0.00 C ATOM 993 OD1 ASN A 71 -10.049 -4.778 -6.232 1.00 0.00 O ATOM 994 ND2 ASN A 71 -10.542 -5.811 -4.293 1.00 0.00 N ATOM 0 H ASN A 71 -6.606 -8.303 -4.948 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.161 -5.488 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.809 -7.019 -6.759 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.191 -7.720 -5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.243 -5.117 -4.033 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.350 -6.599 -3.674 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.208 -5.038 -3.212 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.246 -4.726 -1.794 1.00 0.00 C ATOM 1003 C LEU A 72 -8.015 -3.419 -1.584 1.00 0.00 C ATOM 1004 O LEU A 72 -7.624 -2.590 -0.763 1.00 0.00 O ATOM 1005 CB LEU A 72 -5.832 -4.707 -1.210 1.00 0.00 C ATOM 1006 CG LEU A 72 -4.882 -5.793 -1.721 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -3.451 -5.537 -1.245 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.378 -7.185 -1.325 1.00 0.00 C ATOM 0 H LEU A 72 -6.887 -4.275 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.781 -5.503 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.387 -3.734 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.906 -4.797 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.871 -5.753 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.796 -6.323 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.111 -4.571 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.425 -5.534 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.685 -7.938 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.437 -7.255 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.366 -7.355 -1.754 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.094 -3.277 -2.340 1.00 0.00 N ATOM 1021 CA ARG A 73 -9.920 -2.085 -2.247 1.00 0.00 C ATOM 1022 C ARG A 73 -10.635 -2.039 -0.894 1.00 0.00 C ATOM 1023 O ARG A 73 -10.863 -0.962 -0.346 1.00 0.00 O ATOM 1024 CB ARG A 73 -10.961 -2.049 -3.367 1.00 0.00 C ATOM 1025 CG ARG A 73 -10.288 -1.977 -4.739 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.295 -1.591 -5.825 1.00 0.00 C ATOM 1027 NE ARG A 73 -11.013 -2.344 -7.067 1.00 0.00 N ATOM 1028 CZ ARG A 73 -11.917 -2.570 -8.030 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -13.166 -2.102 -7.900 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -11.572 -3.263 -9.124 1.00 0.00 N ATOM 0 H ARG A 73 -9.415 -3.967 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.266 -1.219 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.590 -2.938 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.615 -1.187 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.479 -1.247 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.840 -2.941 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.309 -1.802 -5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.240 -0.520 -6.019 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.072 -2.714 -7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.429 -1.574 -7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.854 -2.274 -8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.621 -3.619 -9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.260 -3.435 -9.857 1.00 0.00 H new ATOM 1044 N ASN A 74 -10.967 -3.221 -0.396 1.00 0.00 N ATOM 1045 CA ASN A 74 -11.651 -3.328 0.882 1.00 0.00 C ATOM 1046 C ASN A 74 -11.189 -4.600 1.597 1.00 0.00 C ATOM 1047 O ASN A 74 -11.915 -5.151 2.422 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.166 -3.418 0.690 1.00 0.00 C ATOM 1049 CG ASN A 74 -13.799 -2.025 0.666 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -13.196 -1.048 0.254 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -15.045 -1.990 1.131 1.00 0.00 N ATOM 0 H ASN A 74 -10.775 -4.112 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.414 -2.440 1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.388 -3.938 -0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.604 -4.007 1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.555 -1.107 1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.491 -2.846 1.461 1.00 0.00 H new ATOM 1058 N ALA A 75 -9.982 -5.028 1.254 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.415 -6.224 1.853 1.00 0.00 C ATOM 1060 C ALA A 75 -9.016 -5.925 3.300 1.00 0.00 C ATOM 1061 O ALA A 75 -8.874 -4.764 3.681 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.233 -6.705 1.010 1.00 0.00 C ATOM 0 H ALA A 75 -9.382 -4.568 0.569 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.150 -7.029 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.807 -7.602 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.575 -6.932 0.000 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.473 -5.924 0.969 1.00 0.00 H new ATOM 1068 N THR A 76 -8.847 -6.992 4.066 1.00 0.00 N ATOM 1069 CA THR A 76 -8.467 -6.858 5.462 1.00 0.00 C ATOM 1070 C THR A 76 -6.960 -6.628 5.585 1.00 0.00 C ATOM 1071 O THR A 76 -6.192 -7.043 4.719 1.00 0.00 O ATOM 1072 CB THR A 76 -8.954 -8.104 6.206 1.00 0.00 C ATOM 1073 OG1 THR A 76 -8.047 -9.126 5.803 1.00 0.00 O ATOM 1074 CG2 THR A 76 -10.314 -8.592 5.702 1.00 0.00 C ATOM 0 H THR A 76 -8.966 -7.953 3.747 1.00 0.00 H new ATOM 0 HA THR A 76 -8.935 -5.985 5.917 1.00 0.00 H new ATOM 0 HB THR A 76 -9.018 -7.888 7.272 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.289 -9.969 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.613 -9.478 6.263 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.057 -7.806 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.242 -8.840 4.643 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.581 -5.966 6.669 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.180 -5.675 6.917 1.00 0.00 C ATOM 1084 C HIS A 77 -4.335 -6.911 6.600 1.00 0.00 C ATOM 1085 O HIS A 77 -3.317 -6.813 5.917 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.974 -5.167 8.345 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.662 -4.452 8.560 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -2.639 -4.188 7.697 1.00 0.00 N flip ATOM 1089 CD2 HIS A 77 -3.290 -3.919 9.782 1.00 0.00 C flip ATOM 1090 CE1 HIS A 77 -1.694 -3.529 8.356 1.00 0.00 C flip ATOM 1091 NE2 HIS A 77 -2.096 -3.361 9.649 1.00 0.00 N flip ATOM 0 H HIS A 77 -7.221 -5.623 7.385 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.850 -4.873 6.257 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.790 -4.491 8.600 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.033 -6.011 9.032 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.874 -3.952 10.690 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.760 -3.183 7.938 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.570 -2.889 10.384 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.790 -8.046 7.111 1.00 0.00 N ATOM 1100 CA GLU A 78 -4.089 -9.299 6.891 1.00 0.00 C ATOM 1101 C GLU A 78 -4.060 -9.637 5.399 1.00 0.00 C ATOM 1102 O GLU A 78 -2.990 -9.822 4.821 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.726 -10.433 7.697 1.00 0.00 C ATOM 1104 CG GLU A 78 -3.661 -11.396 8.225 1.00 0.00 C ATOM 1105 CD GLU A 78 -4.268 -12.398 9.210 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -4.758 -13.442 8.728 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -4.228 -12.097 10.422 1.00 0.00 O ATOM 0 H GLU A 78 -5.635 -8.124 7.677 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.062 -9.183 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.292 -10.018 8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.434 -10.976 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.204 -11.931 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.868 -10.833 8.716 1.00 0.00 H new ATOM 1114 N GLN A 79 -5.249 -9.706 4.817 1.00 0.00 N ATOM 1115 CA GLN A 79 -5.374 -10.018 3.404 1.00 0.00 C ATOM 1116 C GLN A 79 -4.428 -9.141 2.581 1.00 0.00 C ATOM 1117 O GLN A 79 -3.708 -9.638 1.716 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.820 -9.857 2.932 1.00 0.00 C ATOM 1119 CG GLN A 79 -7.675 -11.049 3.366 1.00 0.00 C ATOM 1120 CD GLN A 79 -9.149 -10.819 3.028 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -9.508 -9.930 2.274 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.980 -11.667 3.627 1.00 0.00 N ATOM 0 H GLN A 79 -6.134 -9.551 5.299 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.093 -11.061 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.239 -8.937 3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.844 -9.764 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.322 -11.954 2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.565 -11.209 4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.613 -12.389 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.985 -11.596 3.466 1.00 0.00 H new ATOM 1131 N ALA A 80 -4.459 -7.850 2.880 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.614 -6.899 2.179 1.00 0.00 C ATOM 1133 C ALA A 80 -2.145 -7.248 2.428 1.00 0.00 C ATOM 1134 O ALA A 80 -1.305 -7.083 1.545 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.960 -5.479 2.630 1.00 0.00 C ATOM 0 H ALA A 80 -5.056 -7.441 3.598 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.788 -6.951 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.326 -4.765 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.006 -5.270 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.795 -5.388 3.704 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.880 -7.725 3.636 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.528 -8.099 4.013 1.00 0.00 C ATOM 1143 C ALA A 81 -0.129 -9.374 3.267 1.00 0.00 C ATOM 1144 O ALA A 81 0.978 -9.468 2.739 1.00 0.00 O ATOM 1145 CB ALA A 81 -0.448 -8.262 5.532 1.00 0.00 C ATOM 0 H ALA A 81 -2.579 -7.861 4.366 1.00 0.00 H new ATOM 0 HA ALA A 81 0.179 -7.318 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.567 -8.543 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.712 -7.320 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.142 -9.039 5.852 1.00 0.00 H new ATOM 1151 N ALA A 82 -1.053 -10.323 3.247 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.812 -11.589 2.575 1.00 0.00 C ATOM 1153 C ALA A 82 -0.446 -11.323 1.114 1.00 0.00 C ATOM 1154 O ALA A 82 0.136 -12.180 0.450 1.00 0.00 O ATOM 1155 CB ALA A 82 -2.045 -12.484 2.714 1.00 0.00 C ATOM 0 H ALA A 82 -1.970 -10.241 3.685 1.00 0.00 H new ATOM 0 HA ALA A 82 0.025 -12.115 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.864 -13.433 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.245 -12.666 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.905 -11.991 2.261 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.803 -10.132 0.654 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.519 -9.743 -0.716 1.00 0.00 C ATOM 1163 C ALA A 83 0.926 -9.250 -0.813 1.00 0.00 C ATOM 1164 O ALA A 83 1.559 -9.375 -1.860 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.528 -8.685 -1.166 1.00 0.00 C ATOM 0 H ALA A 83 -1.287 -9.424 1.207 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.621 -10.597 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.315 -8.393 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.536 -9.095 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.453 -7.812 -0.518 1.00 0.00 H new ATOM 1171 N LEU A 84 1.405 -8.700 0.293 1.00 0.00 N ATOM 1172 CA LEU A 84 2.763 -8.187 0.345 1.00 0.00 C ATOM 1173 C LEU A 84 3.729 -9.340 0.625 1.00 0.00 C ATOM 1174 O LEU A 84 4.928 -9.226 0.375 1.00 0.00 O ATOM 1175 CB LEU A 84 2.865 -7.041 1.355 1.00 0.00 C ATOM 1176 CG LEU A 84 2.328 -5.687 0.888 1.00 0.00 C ATOM 1177 CD1 LEU A 84 2.659 -5.444 -0.586 1.00 0.00 C ATOM 1178 CD2 LEU A 84 0.828 -5.567 1.165 1.00 0.00 C ATOM 0 H LEU A 84 0.877 -8.599 1.160 1.00 0.00 H new ATOM 0 HA LEU A 84 3.045 -7.760 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.328 -7.330 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.912 -6.919 1.631 1.00 0.00 H new ATOM 0 HG LEU A 84 2.826 -4.906 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.266 -4.475 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.740 -5.457 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.207 -6.227 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.472 -4.595 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.296 -6.356 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.647 -5.664 2.235 1.00 0.00 H new ATOM 1190 N LYS A 85 3.170 -10.426 1.141 1.00 0.00 N ATOM 1191 CA LYS A 85 3.967 -11.599 1.457 1.00 0.00 C ATOM 1192 C LYS A 85 4.210 -12.405 0.180 1.00 0.00 C ATOM 1193 O LYS A 85 5.222 -13.094 0.059 1.00 0.00 O ATOM 1194 CB LYS A 85 3.309 -12.407 2.578 1.00 0.00 C ATOM 1195 CG LYS A 85 3.865 -12.002 3.944 1.00 0.00 C ATOM 1196 CD LYS A 85 3.014 -10.900 4.579 1.00 0.00 C ATOM 1197 CE LYS A 85 3.657 -10.384 5.867 1.00 0.00 C ATOM 1198 NZ LYS A 85 2.726 -10.535 7.008 1.00 0.00 N ATOM 0 H LYS A 85 2.175 -10.518 1.348 1.00 0.00 H new ATOM 0 HA LYS A 85 4.944 -11.304 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.230 -12.250 2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.479 -13.471 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.891 -12.871 4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.892 -11.655 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.893 -10.078 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.017 -11.284 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.577 -10.933 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.930 -9.335 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.178 -10.180 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.859 -9.992 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.486 -11.540 7.130 1.00 0.00 H new ATOM 1212 N ARG A 86 3.265 -12.292 -0.742 1.00 0.00 N ATOM 1213 CA ARG A 86 3.364 -13.002 -2.006 1.00 0.00 C ATOM 1214 C ARG A 86 4.008 -12.108 -3.068 1.00 0.00 C ATOM 1215 O ARG A 86 4.309 -12.564 -4.170 1.00 0.00 O ATOM 1216 CB ARG A 86 1.985 -13.451 -2.495 1.00 0.00 C ATOM 1217 CG ARG A 86 1.228 -12.289 -3.142 1.00 0.00 C ATOM 1218 CD ARG A 86 1.216 -12.423 -4.666 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.176 -12.396 -5.166 1.00 0.00 N ATOM 1220 CZ ARG A 86 -0.508 -12.346 -6.464 1.00 0.00 C ATOM 1221 NH1 ARG A 86 0.450 -12.316 -7.400 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -1.798 -12.324 -6.825 1.00 0.00 N ATOM 0 H ARG A 86 2.427 -11.719 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 86 3.984 -13.884 -1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.097 -14.262 -3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.408 -13.844 -1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.205 -12.264 -2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.694 -11.345 -2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.788 -11.611 -5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.699 -13.355 -4.961 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.931 -12.417 -4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.432 -12.331 -7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.197 -12.278 -8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.527 -12.345 -6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.051 -12.286 -7.812 1.00 0.00 H new ATOM 1236 N ALA A 87 4.199 -10.850 -2.699 1.00 0.00 N ATOM 1237 CA ALA A 87 4.802 -9.887 -3.606 1.00 0.00 C ATOM 1238 C ALA A 87 6.321 -10.069 -3.600 1.00 0.00 C ATOM 1239 O ALA A 87 6.967 -9.890 -2.568 1.00 0.00 O ATOM 1240 CB ALA A 87 4.382 -8.473 -3.202 1.00 0.00 C ATOM 0 H ALA A 87 3.947 -10.475 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 87 4.455 -10.051 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.834 -7.751 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.296 -8.388 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.716 -8.271 -2.184 1.00 0.00 H new ATOM 1246 N GLY A 88 6.848 -10.422 -4.763 1.00 0.00 N ATOM 1247 CA GLY A 88 8.279 -10.630 -4.905 1.00 0.00 C ATOM 1248 C GLY A 88 9.052 -9.347 -4.595 1.00 0.00 C ATOM 1249 O GLY A 88 8.786 -8.683 -3.595 1.00 0.00 O ATOM 0 H GLY A 88 6.309 -10.569 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.603 -11.425 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.504 -10.958 -5.920 1.00 0.00 H new ATOM 1253 N GLN A 89 9.995 -9.037 -5.473 1.00 0.00 N ATOM 1254 CA GLN A 89 10.809 -7.845 -5.306 1.00 0.00 C ATOM 1255 C GLN A 89 10.150 -6.650 -5.999 1.00 0.00 C ATOM 1256 O GLN A 89 9.952 -5.603 -5.384 1.00 0.00 O ATOM 1257 CB GLN A 89 12.227 -8.071 -5.835 1.00 0.00 C ATOM 1258 CG GLN A 89 13.215 -8.273 -4.684 1.00 0.00 C ATOM 1259 CD GLN A 89 14.641 -8.454 -5.211 1.00 0.00 C ATOM 1260 OE1 GLN A 89 15.049 -7.852 -6.191 1.00 0.00 O ATOM 1261 NE2 GLN A 89 15.372 -9.313 -4.508 1.00 0.00 N ATOM 0 H GLN A 89 10.213 -9.590 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 89 10.884 -7.627 -4.241 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.241 -8.943 -6.488 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.535 -7.217 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.178 -7.415 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.925 -9.147 -4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.968 -9.783 -3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.337 -9.502 -4.779 1.00 0.00 H new ATOM 1270 N SER A 90 9.829 -6.847 -7.269 1.00 0.00 N ATOM 1271 CA SER A 90 9.196 -5.799 -8.052 1.00 0.00 C ATOM 1272 C SER A 90 7.674 -5.951 -7.997 1.00 0.00 C ATOM 1273 O SER A 90 7.096 -6.727 -8.756 1.00 0.00 O ATOM 1274 CB SER A 90 9.679 -5.828 -9.503 1.00 0.00 C ATOM 1275 OG SER A 90 10.502 -6.960 -9.770 1.00 0.00 O ATOM 0 H SER A 90 9.995 -7.717 -7.776 1.00 0.00 H new ATOM 0 HA SER A 90 9.475 -4.836 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.818 -5.840 -10.171 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.236 -4.916 -9.718 1.00 0.00 H new ATOM 0 HG SER A 90 10.788 -6.943 -10.707 1.00 0.00 H new ATOM 1281 N VAL A 91 7.069 -5.197 -7.090 1.00 0.00 N ATOM 1282 CA VAL A 91 5.626 -5.238 -6.926 1.00 0.00 C ATOM 1283 C VAL A 91 5.033 -3.884 -7.321 1.00 0.00 C ATOM 1284 O VAL A 91 5.565 -2.838 -6.952 1.00 0.00 O ATOM 1285 CB VAL A 91 5.274 -5.651 -5.495 1.00 0.00 C ATOM 1286 CG1 VAL A 91 3.776 -5.930 -5.359 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.100 -6.860 -5.054 1.00 0.00 C ATOM 0 H VAL A 91 7.552 -4.555 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 91 5.188 -5.988 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 91 5.521 -4.819 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.552 -6.222 -4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.214 -5.031 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.493 -6.737 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.830 -7.132 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.899 -7.700 -5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.160 -6.611 -5.094 1.00 0.00 H new ATOM 1297 N THR A 92 3.940 -3.947 -8.066 1.00 0.00 N ATOM 1298 CA THR A 92 3.269 -2.739 -8.515 1.00 0.00 C ATOM 1299 C THR A 92 2.146 -2.362 -7.547 1.00 0.00 C ATOM 1300 O THR A 92 1.061 -2.940 -7.594 1.00 0.00 O ATOM 1301 CB THR A 92 2.784 -2.972 -9.948 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.853 -3.685 -10.564 1.00 0.00 O ATOM 1303 CG2 THR A 92 2.690 -1.674 -10.752 1.00 0.00 C ATOM 0 H THR A 92 3.502 -4.816 -8.370 1.00 0.00 H new ATOM 0 HA THR A 92 3.949 -1.888 -8.521 1.00 0.00 H new ATOM 0 HB THR A 92 1.808 -3.458 -9.927 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.622 -3.879 -11.496 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.341 -1.895 -11.761 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.989 -0.995 -10.267 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.673 -1.205 -10.802 1.00 0.00 H new ATOM 1311 N ILE A 93 2.445 -1.393 -6.693 1.00 0.00 N ATOM 1312 CA ILE A 93 1.474 -0.932 -5.716 1.00 0.00 C ATOM 1313 C ILE A 93 0.685 0.241 -6.302 1.00 0.00 C ATOM 1314 O ILE A 93 1.243 1.309 -6.546 1.00 0.00 O ATOM 1315 CB ILE A 93 2.162 -0.608 -4.389 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.654 -1.882 -3.700 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.245 0.216 -3.482 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.046 -2.274 -4.201 1.00 0.00 C ATOM 0 H ILE A 93 3.346 -0.915 -6.658 1.00 0.00 H new ATOM 0 HA ILE A 93 0.755 -1.720 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 93 3.040 0.003 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.682 -1.729 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.953 -2.695 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.759 0.432 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.987 1.151 -3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.336 -0.348 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.372 -3.183 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.009 -2.450 -5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.749 -1.469 -3.989 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.602 0.001 -6.512 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.473 1.024 -7.064 1.00 0.00 C ATOM 1332 C VAL A 94 -2.263 1.682 -5.931 1.00 0.00 C ATOM 1333 O VAL A 94 -3.247 1.122 -5.449 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.370 0.419 -8.146 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.342 1.463 -8.700 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.535 -0.203 -9.267 1.00 0.00 C ATOM 0 H VAL A 94 -1.062 -0.887 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.886 1.805 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.958 -0.376 -7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.968 1.007 -9.467 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.972 1.838 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.780 2.289 -9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.197 -0.626 -10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.908 0.564 -9.722 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.904 -0.991 -8.856 1.00 0.00 H new ATOM 1346 N ALA A 95 -1.804 2.861 -5.539 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.455 3.600 -4.472 1.00 0.00 C ATOM 1348 C ALA A 95 -2.894 4.968 -4.999 1.00 0.00 C ATOM 1349 O ALA A 95 -2.439 5.405 -6.055 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.508 3.713 -3.276 1.00 0.00 C ATOM 0 H ALA A 95 -0.989 3.323 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.348 3.075 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.997 4.268 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.250 2.715 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.601 4.236 -3.578 1.00 0.00 H new ATOM 1356 N GLN A 96 -3.772 5.606 -4.239 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.277 6.915 -4.616 1.00 0.00 C ATOM 1358 C GLN A 96 -4.098 7.905 -3.464 1.00 0.00 C ATOM 1359 O GLN A 96 -4.619 7.693 -2.371 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.743 6.834 -5.046 1.00 0.00 C ATOM 1361 CG GLN A 96 -6.583 6.103 -3.997 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.075 6.367 -4.208 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.803 6.729 -3.298 1.00 0.00 O ATOM 1364 NE2 GLN A 96 -8.489 6.166 -5.456 1.00 0.00 N ATOM 0 H GLN A 96 -4.147 5.240 -3.364 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.701 7.273 -5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.137 7.839 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.817 6.316 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.388 5.032 -4.052 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.290 6.429 -2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.827 5.863 -6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.468 6.315 -5.699 1.00 0.00 H new ATOM 1373 N TYR A 97 -3.358 8.967 -3.749 1.00 0.00 N ATOM 1374 CA TYR A 97 -3.103 9.991 -2.750 1.00 0.00 C ATOM 1375 C TYR A 97 -4.412 10.510 -2.151 1.00 0.00 C ATOM 1376 O TYR A 97 -4.999 11.462 -2.663 1.00 0.00 O ATOM 1377 CB TYR A 97 -2.405 11.135 -3.488 1.00 0.00 C ATOM 1378 CG TYR A 97 -1.439 11.940 -2.616 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.658 12.042 -1.257 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -0.349 12.564 -3.188 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.749 12.800 -0.436 1.00 0.00 C ATOM 1382 CE2 TYR A 97 0.560 13.322 -2.367 1.00 0.00 C ATOM 1383 CZ TYR A 97 0.315 13.402 -1.032 1.00 0.00 C ATOM 1384 OH TYR A 97 1.173 14.117 -0.256 1.00 0.00 O ATOM 0 H TYR A 97 -2.927 9.140 -4.657 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.501 9.591 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.857 10.726 -4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.161 11.808 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.511 11.554 -0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.178 12.484 -4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.909 12.888 0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.417 13.815 -2.802 1.00 0.00 H new ATOM 0 HH TYR A 97 1.886 14.490 -0.815 1.00 0.00 H new ATOM 1394 N ARG A 98 -4.831 9.862 -1.074 1.00 0.00 N ATOM 1395 CA ARG A 98 -6.059 10.246 -0.400 1.00 0.00 C ATOM 1396 C ARG A 98 -5.804 10.444 1.096 1.00 0.00 C ATOM 1397 O ARG A 98 -6.053 9.543 1.896 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.146 9.186 -0.589 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.238 9.684 -1.538 1.00 0.00 C ATOM 1400 CD ARG A 98 -8.779 11.043 -1.087 1.00 0.00 C ATOM 1401 NE ARG A 98 -10.232 11.123 -1.355 1.00 0.00 N ATOM 1402 CZ ARG A 98 -10.974 12.220 -1.148 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -10.404 13.335 -0.671 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -12.287 12.202 -1.419 1.00 0.00 N ATOM 0 H ARG A 98 -4.341 9.073 -0.652 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.400 11.183 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.703 8.273 -0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.585 8.934 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.837 9.765 -2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.051 8.959 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.589 11.185 -0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.259 11.844 -1.613 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.698 10.292 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.405 13.349 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.969 14.169 -0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.721 11.354 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.852 13.037 -1.262 1.00 0.00 H new ATOM 1418 N PRO A 99 -5.298 11.659 1.437 1.00 0.00 N ATOM 1419 CA PRO A 99 -5.007 11.986 2.822 1.00 0.00 C ATOM 1420 C PRO A 99 -6.294 12.264 3.602 1.00 0.00 C ATOM 1421 O PRO A 99 -6.412 11.886 4.767 1.00 0.00 O ATOM 1422 CB PRO A 99 -4.081 13.190 2.756 1.00 0.00 C ATOM 1423 CG PRO A 99 -4.259 13.776 1.365 1.00 0.00 C ATOM 1424 CD PRO A 99 -4.992 12.750 0.517 1.00 0.00 C ATOM 0 HA PRO A 99 -4.532 11.164 3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.335 13.921 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.045 12.896 2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.825 14.706 1.412 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -3.291 14.014 0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.900 13.170 0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.373 12.407 -0.312 1.00 0.00 H new ATOM 1432 N GLU A 100 -7.226 12.923 2.929 1.00 0.00 N ATOM 1433 CA GLU A 100 -8.499 13.256 3.544 1.00 0.00 C ATOM 1434 C GLU A 100 -9.109 12.018 4.205 1.00 0.00 C ATOM 1435 O GLU A 100 -9.937 12.135 5.107 1.00 0.00 O ATOM 1436 CB GLU A 100 -9.461 13.861 2.520 1.00 0.00 C ATOM 1437 CG GLU A 100 -10.612 14.592 3.215 1.00 0.00 C ATOM 1438 CD GLU A 100 -11.634 15.099 2.195 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -12.326 14.238 1.609 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -11.701 16.335 2.025 1.00 0.00 O ATOM 0 H GLU A 100 -7.124 13.235 1.963 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.323 14.006 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.922 14.554 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.859 13.074 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.100 13.921 3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.220 15.431 3.791 1.00 0.00 H new ATOM 1447 N GLU A 101 -8.677 10.859 3.729 1.00 0.00 N ATOM 1448 CA GLU A 101 -9.171 9.601 4.262 1.00 0.00 C ATOM 1449 C GLU A 101 -8.243 9.092 5.367 1.00 0.00 C ATOM 1450 O GLU A 101 -8.707 8.636 6.411 1.00 0.00 O ATOM 1451 CB GLU A 101 -9.325 8.558 3.152 1.00 0.00 C ATOM 1452 CG GLU A 101 -10.700 8.663 2.489 1.00 0.00 C ATOM 1453 CD GLU A 101 -11.749 7.874 3.275 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -11.600 7.810 4.514 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.676 7.353 2.618 1.00 0.00 O ATOM 0 H GLU A 101 -7.991 10.765 2.980 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.157 9.774 4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.545 8.700 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.192 7.558 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.998 9.709 2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.645 8.285 1.468 1.00 0.00 H new ATOM 1462 N TYR A 102 -6.949 9.186 5.099 1.00 0.00 N ATOM 1463 CA TYR A 102 -5.952 8.741 6.058 1.00 0.00 C ATOM 1464 C TYR A 102 -5.895 9.680 7.265 1.00 0.00 C ATOM 1465 O TYR A 102 -5.421 9.296 8.333 1.00 0.00 O ATOM 1466 CB TYR A 102 -4.610 8.791 5.325 1.00 0.00 C ATOM 1467 CG TYR A 102 -3.420 8.342 6.175 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.309 7.023 6.565 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -2.457 9.256 6.552 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.189 6.600 7.364 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -1.337 8.833 7.352 1.00 0.00 C ATOM 1472 CZ TYR A 102 -1.258 7.526 7.719 1.00 0.00 C ATOM 1473 OH TYR A 102 -0.200 7.127 8.474 1.00 0.00 O ATOM 0 H TYR A 102 -6.568 9.564 4.232 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.191 7.743 6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.668 8.160 4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.433 9.810 4.981 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.063 6.308 6.271 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.543 10.288 6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.090 5.570 7.675 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.577 9.538 7.654 1.00 0.00 H new ATOM 0 HH TYR A 102 0.540 6.864 7.887 1.00 0.00 H new ATOM 1483 N SER A 103 -6.385 10.893 7.055 1.00 0.00 N ATOM 1484 CA SER A 103 -6.396 11.889 8.113 1.00 0.00 C ATOM 1485 C SER A 103 -6.773 11.235 9.444 1.00 0.00 C ATOM 1486 O SER A 103 -6.068 11.395 10.439 1.00 0.00 O ATOM 1487 CB SER A 103 -7.365 13.027 7.787 1.00 0.00 C ATOM 1488 OG SER A 103 -8.306 12.657 6.783 1.00 0.00 O ATOM 0 H SER A 103 -6.777 11.209 6.168 1.00 0.00 H new ATOM 0 HA SER A 103 -5.395 12.312 8.195 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.897 13.320 8.692 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.802 13.898 7.452 1.00 0.00 H new ATOM 0 HG SER A 103 -8.908 13.410 6.606 1.00 0.00 H new ATOM 1494 N ARG A 104 -7.884 10.514 9.419 1.00 0.00 N ATOM 1495 CA ARG A 104 -8.362 9.835 10.611 1.00 0.00 C ATOM 1496 C ARG A 104 -7.205 9.132 11.322 1.00 0.00 C ATOM 1497 O ARG A 104 -6.980 9.348 12.512 1.00 0.00 O ATOM 1498 CB ARG A 104 -9.440 8.806 10.264 1.00 0.00 C ATOM 1499 CG ARG A 104 -10.610 9.463 9.530 1.00 0.00 C ATOM 1500 CD ARG A 104 -10.845 8.803 8.170 1.00 0.00 C ATOM 1501 NE ARG A 104 -12.285 8.515 7.989 1.00 0.00 N ATOM 1502 CZ ARG A 104 -12.970 7.621 8.716 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -12.349 6.923 9.676 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -14.274 7.425 8.482 1.00 0.00 N ATOM 0 H ARG A 104 -8.467 10.385 8.592 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.794 10.588 11.271 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.011 8.021 9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.800 8.330 11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.513 9.387 10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.407 10.525 9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.494 9.458 7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.270 7.880 8.100 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.788 9.029 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.356 7.072 9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.870 6.243 10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.746 7.956 7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.795 6.745 9.035 1.00 0.00 H new ATOM 1518 N PHE A 105 -6.501 8.304 10.564 1.00 0.00 N ATOM 1519 CA PHE A 105 -5.373 7.568 11.107 1.00 0.00 C ATOM 1520 C PHE A 105 -4.250 8.518 11.528 1.00 0.00 C ATOM 1521 O PHE A 105 -3.635 8.331 12.577 1.00 0.00 O ATOM 1522 CB PHE A 105 -4.859 6.652 9.994 1.00 0.00 C ATOM 1523 CG PHE A 105 -5.858 5.576 9.563 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -6.406 4.746 10.490 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -6.199 5.451 8.252 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -7.333 3.747 10.090 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.127 4.452 7.852 1.00 0.00 C ATOM 1528 CZ PHE A 105 -7.674 3.622 8.780 1.00 0.00 C ATOM 0 H PHE A 105 -6.691 8.127 9.578 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.685 7.005 11.986 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.599 7.260 9.128 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.942 6.168 10.330 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.136 4.846 11.531 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.765 6.111 7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.767 3.087 10.826 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.398 4.352 6.811 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.380 2.863 8.476 1.00 0.00 H new