USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 526 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 75 THR OG1 : rot -158:sc= 1.23 USER MOD Set 1.2: A 77 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 2.1: A 72 CYS SG : rot 180:sc= -0.489 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 19 LYS NZ :NH3+ 177:sc= 0.757 (180deg=0) USER MOD Set 3.2: A 35 THR OG1 : rot 169:sc= 0.689 USER MOD Single : A 15 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -112:sc= -1.55! (180deg=-3.53!) USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= -0.979 (180deg=-2.54!) USER MOD Single : A 18 MET CE :methyl 139:sc= -2.13 (180deg=-3.44!) USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -0.0833 (180deg=-0.129) USER MOD Single : A 27 ASN : amide:sc= -0.157 K(o=-0.16,f=-2!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 35:sc= 0.57 USER MOD Single : A 42 HIS : no HD1:sc= -2.97! K(o=-3!,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-4.6!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -86:sc= -0.707 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 67 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.6) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0691 X(o=-0.069,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 15.080 0.654 -0.716 1.00 0.00 N ATOM 158 CA PHE A 14 13.833 -0.102 -0.694 1.00 0.00 C ATOM 159 C PHE A 14 14.094 -1.573 -0.383 1.00 0.00 C ATOM 160 O PHE A 14 15.201 -2.072 -0.582 1.00 0.00 O ATOM 161 CB PHE A 14 13.111 0.025 -2.037 1.00 0.00 C ATOM 162 CG PHE A 14 12.290 1.277 -2.160 1.00 0.00 C ATOM 163 CD1 PHE A 14 12.847 2.516 -1.886 1.00 0.00 C ATOM 164 CD2 PHE A 14 10.962 1.215 -2.550 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.094 3.670 -1.998 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.205 2.366 -2.664 1.00 0.00 C ATOM 167 CZ PHE A 14 10.771 3.595 -2.387 1.00 0.00 C ATOM 0 HA PHE A 14 13.201 0.312 0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.848 0.003 -2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.463 -0.840 -2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 14 13.881 2.581 -1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.513 0.257 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.540 4.629 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.171 2.304 -2.970 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.181 4.495 -2.474 1.00 0.00 H new ATOM 177 N GLN A 15 13.068 -2.259 0.108 1.00 0.00 N ATOM 178 CA GLN A 15 13.187 -3.672 0.449 1.00 0.00 C ATOM 179 C GLN A 15 12.074 -4.485 -0.204 1.00 0.00 C ATOM 180 O GLN A 15 11.056 -3.937 -0.628 1.00 0.00 O ATOM 181 CB GLN A 15 13.146 -3.857 1.967 1.00 0.00 C ATOM 182 CG GLN A 15 14.199 -3.048 2.707 1.00 0.00 C ATOM 183 CD GLN A 15 14.171 -3.285 4.204 1.00 0.00 C ATOM 184 OE1 GLN A 15 14.073 -2.343 4.991 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.257 -4.547 4.606 1.00 0.00 N ATOM 0 H GLN A 15 12.145 -1.860 0.279 1.00 0.00 H new ATOM 0 HA GLN A 15 14.144 -4.032 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.159 -3.574 2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.281 -4.913 2.200 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.186 -3.304 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.044 -1.988 2.508 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.337 -5.297 3.919 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.243 -4.767 5.602 1.00 0.00 H new ATOM 194 N LYS A 16 12.274 -5.796 -0.283 1.00 0.00 N ATOM 195 CA LYS A 16 11.288 -6.687 -0.884 1.00 0.00 C ATOM 196 C LYS A 16 10.311 -7.204 0.167 1.00 0.00 C ATOM 197 O LYS A 16 10.570 -7.117 1.367 1.00 0.00 O ATOM 198 CB LYS A 16 11.985 -7.863 -1.571 1.00 0.00 C ATOM 199 CG LYS A 16 12.313 -7.607 -3.031 1.00 0.00 C ATOM 200 CD LYS A 16 13.545 -8.381 -3.470 1.00 0.00 C ATOM 201 CE LYS A 16 14.786 -7.928 -2.718 1.00 0.00 C ATOM 202 NZ LYS A 16 15.032 -8.755 -1.504 1.00 0.00 N ATOM 0 H LYS A 16 13.111 -6.266 0.062 1.00 0.00 H new ATOM 0 HA LYS A 16 10.728 -6.120 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.906 -8.092 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.347 -8.744 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.463 -7.892 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.478 -6.541 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.385 -9.446 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.698 -8.246 -4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.652 -7.985 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.674 -6.883 -2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.881 -8.176 -0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.376 -9.562 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.011 -9.105 -1.515 1.00 0.00 H new ATOM 216 N LYS A 17 9.187 -7.744 -0.292 1.00 0.00 N ATOM 217 CA LYS A 17 8.171 -8.279 0.607 1.00 0.00 C ATOM 218 C LYS A 17 7.615 -7.184 1.512 1.00 0.00 C ATOM 219 O LYS A 17 7.120 -7.460 2.604 1.00 0.00 O ATOM 220 CB LYS A 17 8.757 -9.408 1.457 1.00 0.00 C ATOM 221 CG LYS A 17 9.531 -10.437 0.651 1.00 0.00 C ATOM 222 CD LYS A 17 9.851 -11.669 1.481 1.00 0.00 C ATOM 223 CE LYS A 17 11.125 -11.481 2.290 1.00 0.00 C ATOM 224 NZ LYS A 17 10.965 -10.438 3.341 1.00 0.00 N ATOM 0 H LYS A 17 8.956 -7.823 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 17 7.356 -8.674 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.416 -8.979 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.948 -9.909 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.950 -10.728 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.457 -9.993 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.020 -11.882 2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.959 -12.533 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.402 -12.427 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.941 -11.203 1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.580 -10.662 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.229 -9.510 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.974 -10.412 3.656 1.00 0.00 H new ATOM 238 N MET A 18 7.698 -5.941 1.048 1.00 0.00 N ATOM 239 CA MET A 18 7.200 -4.805 1.815 1.00 0.00 C ATOM 240 C MET A 18 6.023 -4.143 1.105 1.00 0.00 C ATOM 241 O MET A 18 5.595 -4.592 0.041 1.00 0.00 O ATOM 242 CB MET A 18 8.316 -3.784 2.038 1.00 0.00 C ATOM 243 CG MET A 18 8.596 -2.914 0.823 1.00 0.00 C ATOM 244 SD MET A 18 9.785 -1.603 1.167 1.00 0.00 S ATOM 245 CE MET A 18 9.360 -0.418 -0.107 1.00 0.00 C ATOM 0 H MET A 18 8.105 -5.695 0.146 1.00 0.00 H new ATOM 0 HA MET A 18 6.857 -5.174 2.782 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.049 -3.144 2.879 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.229 -4.311 2.316 1.00 0.00 H new ATOM 0 HG2 MET A 18 8.974 -3.538 0.013 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.663 -2.471 0.475 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.388 0.589 0.309 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.075 -0.492 -0.926 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.358 -0.629 -0.480 1.00 0.00 H new ATOM 255 N LYS A 19 5.505 -3.073 1.699 1.00 0.00 N ATOM 256 CA LYS A 19 4.379 -2.348 1.122 1.00 0.00 C ATOM 257 C LYS A 19 4.757 -0.900 0.830 1.00 0.00 C ATOM 258 O LYS A 19 5.565 -0.302 1.542 1.00 0.00 O ATOM 259 CB LYS A 19 3.179 -2.391 2.071 1.00 0.00 C ATOM 260 CG LYS A 19 2.533 -3.762 2.172 1.00 0.00 C ATOM 261 CD LYS A 19 1.999 -4.227 0.828 1.00 0.00 C ATOM 262 CE LYS A 19 1.245 -5.543 0.952 1.00 0.00 C ATOM 263 NZ LYS A 19 2.167 -6.712 0.962 1.00 0.00 N ATOM 0 H LYS A 19 5.847 -2.689 2.580 1.00 0.00 H new ATOM 0 HA LYS A 19 4.110 -2.832 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.500 -2.076 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.433 -1.671 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.262 -4.482 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.719 -3.729 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.338 -3.465 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.826 -4.345 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.655 -5.538 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.545 -5.640 0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.619 -7.585 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.676 -6.761 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.851 -6.608 1.738 1.00 0.00 H new ATOM 277 N LEU A 20 4.167 -0.340 -0.221 1.00 0.00 N ATOM 278 CA LEU A 20 4.441 1.040 -0.607 1.00 0.00 C ATOM 279 C LEU A 20 3.321 1.593 -1.482 1.00 0.00 C ATOM 280 O LEU A 20 2.799 0.897 -2.352 1.00 0.00 O ATOM 281 CB LEU A 20 5.775 1.127 -1.351 1.00 0.00 C ATOM 282 CG LEU A 20 5.702 1.025 -2.875 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.557 2.406 -3.495 1.00 0.00 C ATOM 284 CD2 LEU A 20 6.933 0.319 -3.422 1.00 0.00 C ATOM 0 H LEU A 20 3.496 -0.820 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 20 4.498 1.641 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.251 2.073 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.425 0.332 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 20 4.824 0.436 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.507 2.314 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.645 2.876 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.416 3.019 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.864 0.256 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.826 0.880 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.993 -0.685 -3.003 1.00 0.00 H new ATOM 296 N GLU A 21 2.958 2.850 -1.245 1.00 0.00 N ATOM 297 CA GLU A 21 1.901 3.497 -2.013 1.00 0.00 C ATOM 298 C GLU A 21 2.432 4.004 -3.351 1.00 0.00 C ATOM 299 O GLU A 21 3.287 4.889 -3.397 1.00 0.00 O ATOM 300 CB GLU A 21 1.299 4.658 -1.218 1.00 0.00 C ATOM 301 CG GLU A 21 0.470 4.213 -0.025 1.00 0.00 C ATOM 302 CD GLU A 21 -0.159 5.377 0.715 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.742 6.259 0.049 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.069 5.406 1.960 1.00 0.00 O ATOM 0 H GLU A 21 3.380 3.440 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 21 1.124 2.757 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.104 5.305 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.674 5.256 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.314 3.537 -0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.102 3.649 0.662 1.00 0.00 H new ATOM 311 N VAL A 22 1.920 3.437 -4.438 1.00 0.00 N ATOM 312 CA VAL A 22 2.341 3.830 -5.777 1.00 0.00 C ATOM 313 C VAL A 22 1.232 4.584 -6.503 1.00 0.00 C ATOM 314 O VAL A 22 0.048 4.319 -6.296 1.00 0.00 O ATOM 315 CB VAL A 22 2.752 2.607 -6.619 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.370 3.049 -7.937 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.714 1.724 -5.839 1.00 0.00 C ATOM 0 H VAL A 22 1.212 2.703 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 22 3.204 4.485 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 22 1.859 2.024 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.654 2.172 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.645 3.638 -8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.254 3.655 -7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.994 0.865 -6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.607 2.295 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.231 1.379 -4.925 1.00 0.00 H new ATOM 327 N VAL A 23 1.624 5.524 -7.357 1.00 0.00 N ATOM 328 CA VAL A 23 0.663 6.316 -8.116 1.00 0.00 C ATOM 329 C VAL A 23 0.346 5.659 -9.454 1.00 0.00 C ATOM 330 O VAL A 23 1.211 5.550 -10.324 1.00 0.00 O ATOM 331 CB VAL A 23 1.186 7.743 -8.367 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.210 8.524 -9.234 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.432 8.460 -7.048 1.00 0.00 C ATOM 0 H VAL A 23 2.600 5.756 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.246 6.371 -7.517 1.00 0.00 H new ATOM 0 HB VAL A 23 2.135 7.675 -8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.596 9.530 -9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.089 8.018 -10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.755 8.585 -8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.801 9.467 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.500 8.519 -6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.172 7.909 -6.467 1.00 0.00 H new ATOM 343 N ASP A 24 -0.899 5.225 -9.614 1.00 0.00 N ATOM 344 CA ASP A 24 -1.332 4.580 -10.848 1.00 0.00 C ATOM 345 C ASP A 24 -1.001 5.447 -12.059 1.00 0.00 C ATOM 346 O ASP A 24 -1.628 6.482 -12.285 1.00 0.00 O ATOM 347 CB ASP A 24 -2.834 4.298 -10.802 1.00 0.00 C ATOM 348 CG ASP A 24 -3.247 3.196 -11.757 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.401 2.331 -12.066 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.416 3.199 -12.196 1.00 0.00 O ATOM 0 H ASP A 24 -1.627 5.308 -8.904 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.796 3.635 -10.942 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.117 4.020 -9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.379 5.210 -11.047 1.00 0.00 H new ATOM 355 N LYS A 25 -0.012 5.018 -12.835 1.00 0.00 N ATOM 356 CA LYS A 25 0.404 5.753 -14.023 1.00 0.00 C ATOM 357 C LYS A 25 -0.807 6.265 -14.797 1.00 0.00 C ATOM 358 O LYS A 25 -0.901 7.453 -15.107 1.00 0.00 O ATOM 359 CB LYS A 25 1.260 4.863 -14.926 1.00 0.00 C ATOM 360 CG LYS A 25 2.062 3.820 -14.167 1.00 0.00 C ATOM 361 CD LYS A 25 2.833 4.440 -13.014 1.00 0.00 C ATOM 362 CE LYS A 25 4.071 5.175 -13.502 1.00 0.00 C ATOM 363 NZ LYS A 25 4.571 6.150 -12.494 1.00 0.00 N ATOM 0 H LYS A 25 0.517 4.163 -12.662 1.00 0.00 H new ATOM 0 HA LYS A 25 0.997 6.609 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.613 4.360 -15.645 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.944 5.490 -15.497 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.391 3.051 -13.785 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.757 3.328 -14.848 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.187 5.132 -12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.125 3.661 -12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.856 4.453 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.840 5.698 -14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.093 6.910 -12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.766 6.557 -11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.203 5.665 -11.826 1.00 0.00 H new ATOM 377 N ARG A 26 -1.732 5.362 -15.104 1.00 0.00 N ATOM 378 CA ARG A 26 -2.937 5.722 -15.842 1.00 0.00 C ATOM 379 C ARG A 26 -3.787 6.707 -15.045 1.00 0.00 C ATOM 380 O ARG A 26 -4.521 7.513 -15.616 1.00 0.00 O ATOM 381 CB ARG A 26 -3.756 4.471 -16.166 1.00 0.00 C ATOM 382 CG ARG A 26 -2.925 3.201 -16.234 1.00 0.00 C ATOM 383 CD ARG A 26 -3.501 2.212 -17.236 1.00 0.00 C ATOM 384 NE ARG A 26 -4.807 1.708 -16.819 1.00 0.00 N ATOM 385 CZ ARG A 26 -5.592 0.971 -17.597 1.00 0.00 C ATOM 386 NH1 ARG A 26 -5.206 0.653 -18.825 1.00 0.00 N ATOM 387 NH2 ARG A 26 -6.767 0.550 -17.146 1.00 0.00 N ATOM 0 H ARG A 26 -1.670 4.375 -14.853 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.634 6.200 -16.773 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.531 4.348 -15.409 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.262 4.615 -17.120 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.901 3.449 -16.513 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.883 2.739 -15.248 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.592 2.694 -18.209 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.812 1.376 -17.358 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.134 1.934 -15.880 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.304 0.974 -19.175 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.811 0.087 -19.419 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.067 0.792 -16.202 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.370 -0.016 -17.744 1.00 0.00 H new ATOM 401 N ASN A 27 -3.683 6.636 -13.722 1.00 0.00 N ATOM 402 CA ASN A 27 -4.443 7.521 -12.846 1.00 0.00 C ATOM 403 C ASN A 27 -3.538 8.153 -11.793 1.00 0.00 C ATOM 404 O ASN A 27 -3.328 7.606 -10.710 1.00 0.00 O ATOM 405 CB ASN A 27 -5.575 6.749 -12.165 1.00 0.00 C ATOM 406 CG ASN A 27 -6.829 6.690 -13.017 1.00 0.00 C ATOM 407 OD1 ASN A 27 -7.039 7.531 -13.891 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.669 5.693 -12.765 1.00 0.00 N ATOM 0 H ASN A 27 -3.080 5.975 -13.233 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.870 8.316 -13.456 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.240 5.735 -11.946 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.809 7.220 -11.210 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.529 5.602 -13.306 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.454 5.018 -12.031 1.00 0.00 H new ATOM 415 N PRO A 28 -2.990 9.333 -12.116 1.00 0.00 N ATOM 416 CA PRO A 28 -2.099 10.067 -11.211 1.00 0.00 C ATOM 417 C PRO A 28 -2.838 10.630 -10.002 1.00 0.00 C ATOM 418 O PRO A 28 -2.221 11.158 -9.077 1.00 0.00 O ATOM 419 CB PRO A 28 -1.561 11.202 -12.085 1.00 0.00 C ATOM 420 CG PRO A 28 -2.604 11.402 -13.131 1.00 0.00 C ATOM 421 CD PRO A 28 -3.197 10.044 -13.389 1.00 0.00 C ATOM 0 HA PRO A 28 -1.321 9.426 -10.796 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.405 12.110 -11.503 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.601 10.939 -12.529 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.367 12.103 -12.792 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.170 11.818 -14.040 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.254 10.110 -13.645 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.699 9.539 -14.217 1.00 0.00 H new ATOM 429 N MET A 29 -4.162 10.512 -10.015 1.00 0.00 N ATOM 430 CA MET A 29 -4.984 11.009 -8.918 1.00 0.00 C ATOM 431 C MET A 29 -5.502 9.857 -8.063 1.00 0.00 C ATOM 432 O MET A 29 -6.416 10.032 -7.256 1.00 0.00 O ATOM 433 CB MET A 29 -6.158 11.826 -9.460 1.00 0.00 C ATOM 434 CG MET A 29 -5.740 13.138 -10.103 1.00 0.00 C ATOM 435 SD MET A 29 -4.751 14.167 -9.000 1.00 0.00 S ATOM 436 CE MET A 29 -3.312 14.473 -10.023 1.00 0.00 C ATOM 0 H MET A 29 -4.688 10.077 -10.773 1.00 0.00 H new ATOM 0 HA MET A 29 -4.363 11.651 -8.294 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.699 11.228 -10.193 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.851 12.035 -8.645 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.169 12.929 -11.008 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.630 13.689 -10.407 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.605 15.098 -9.478 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.838 13.525 -10.277 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.617 14.982 -10.937 1.00 0.00 H new ATOM 446 N PHE A 30 -4.914 8.679 -8.245 1.00 0.00 N ATOM 447 CA PHE A 30 -5.318 7.498 -7.491 1.00 0.00 C ATOM 448 C PHE A 30 -4.099 6.716 -7.011 1.00 0.00 C ATOM 449 O PHE A 30 -3.220 6.371 -7.800 1.00 0.00 O ATOM 450 CB PHE A 30 -6.209 6.599 -8.350 1.00 0.00 C ATOM 451 CG PHE A 30 -7.626 7.086 -8.459 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.923 8.241 -9.164 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.660 6.389 -7.856 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.226 8.691 -9.265 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.965 6.834 -7.953 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.248 7.987 -8.660 1.00 0.00 C ATOM 0 H PHE A 30 -4.156 8.517 -8.908 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.881 7.829 -6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.781 6.525 -9.350 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.210 5.594 -7.929 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.128 8.796 -9.640 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.444 5.487 -7.303 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.445 9.593 -9.817 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.762 6.282 -7.477 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.267 8.337 -8.739 1.00 0.00 H new ATOM 466 N ILE A 31 -4.055 6.441 -5.711 1.00 0.00 N ATOM 467 CA ILE A 31 -2.945 5.700 -5.126 1.00 0.00 C ATOM 468 C ILE A 31 -3.438 4.449 -4.406 1.00 0.00 C ATOM 469 O ILE A 31 -4.404 4.498 -3.645 1.00 0.00 O ATOM 470 CB ILE A 31 -2.149 6.568 -4.134 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.451 7.713 -4.871 1.00 0.00 C ATOM 472 CG2 ILE A 31 -1.135 5.719 -3.382 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.154 8.907 -3.991 1.00 0.00 C ATOM 0 H ILE A 31 -4.775 6.720 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.291 5.410 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.843 6.996 -3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.518 7.345 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.077 8.033 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.580 6.347 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.654 4.935 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.443 5.265 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.659 9.679 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.086 9.301 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.502 8.602 -3.172 1.00 0.00 H new ATOM 485 N ARG A 32 -2.766 3.328 -4.651 1.00 0.00 N ATOM 486 CA ARG A 32 -3.135 2.064 -4.026 1.00 0.00 C ATOM 487 C ARG A 32 -1.931 1.424 -3.341 1.00 0.00 C ATOM 488 O ARG A 32 -0.852 2.013 -3.282 1.00 0.00 O ATOM 489 CB ARG A 32 -3.712 1.105 -5.068 1.00 0.00 C ATOM 490 CG ARG A 32 -5.027 1.576 -5.668 1.00 0.00 C ATOM 491 CD ARG A 32 -5.684 0.484 -6.497 1.00 0.00 C ATOM 492 NE ARG A 32 -7.030 0.856 -6.925 1.00 0.00 N ATOM 493 CZ ARG A 32 -7.716 0.197 -7.852 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.184 -0.864 -8.445 1.00 0.00 N ATOM 495 NH2 ARG A 32 -8.935 0.597 -8.187 1.00 0.00 N ATOM 0 H ARG A 32 -1.963 3.270 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.894 2.269 -3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.984 0.971 -5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.862 0.129 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.702 1.885 -4.870 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.850 2.452 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.070 0.275 -7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.730 -0.436 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.468 1.667 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.247 -1.175 -8.189 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.712 -1.369 -9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.347 1.412 -7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.460 0.090 -8.899 1.00 0.00 H new ATOM 509 N VAL A 33 -2.125 0.215 -2.824 1.00 0.00 N ATOM 510 CA VAL A 33 -1.055 -0.506 -2.144 1.00 0.00 C ATOM 511 C VAL A 33 -0.232 -1.328 -3.130 1.00 0.00 C ATOM 512 O VAL A 33 -0.771 -1.905 -4.074 1.00 0.00 O ATOM 513 CB VAL A 33 -1.613 -1.440 -1.054 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.559 -2.451 -0.627 1.00 0.00 C ATOM 515 CG2 VAL A 33 -2.104 -0.634 0.138 1.00 0.00 C ATOM 0 H VAL A 33 -3.013 -0.286 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.415 0.243 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.461 -1.987 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.971 -3.103 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.260 -3.050 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.310 -1.925 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.495 -1.310 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.277 -0.059 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.893 0.046 -0.183 1.00 0.00 H new ATOM 525 N ALA A 34 1.076 -1.376 -2.904 1.00 0.00 N ATOM 526 CA ALA A 34 1.974 -2.129 -3.771 1.00 0.00 C ATOM 527 C ALA A 34 2.912 -3.013 -2.956 1.00 0.00 C ATOM 528 O ALA A 34 3.092 -2.804 -1.755 1.00 0.00 O ATOM 529 CB ALA A 34 2.773 -1.182 -4.654 1.00 0.00 C ATOM 0 H ALA A 34 1.538 -0.902 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 34 1.368 -2.776 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.439 -1.758 -5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.091 -0.597 -5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.362 -0.511 -4.029 1.00 0.00 H new ATOM 535 N THR A 35 3.508 -4.002 -3.614 1.00 0.00 N ATOM 536 CA THR A 35 4.426 -4.919 -2.950 1.00 0.00 C ATOM 537 C THR A 35 5.699 -5.109 -3.766 1.00 0.00 C ATOM 538 O THR A 35 5.664 -5.650 -4.872 1.00 0.00 O ATOM 539 CB THR A 35 3.772 -6.293 -2.711 1.00 0.00 C ATOM 540 OG1 THR A 35 2.706 -6.170 -1.763 1.00 0.00 O ATOM 541 CG2 THR A 35 4.795 -7.298 -2.203 1.00 0.00 C ATOM 0 H THR A 35 3.371 -4.189 -4.607 1.00 0.00 H new ATOM 0 HA THR A 35 4.678 -4.473 -1.988 1.00 0.00 H new ATOM 0 HB THR A 35 3.374 -6.651 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.184 -6.999 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.310 -8.261 -2.041 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.590 -7.411 -2.940 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.218 -6.943 -1.263 1.00 0.00 H new ATOM 549 N VAL A 36 6.823 -4.663 -3.215 1.00 0.00 N ATOM 550 CA VAL A 36 8.108 -4.786 -3.891 1.00 0.00 C ATOM 551 C VAL A 36 8.448 -6.247 -4.163 1.00 0.00 C ATOM 552 O VAL A 36 8.868 -6.975 -3.263 1.00 0.00 O ATOM 553 CB VAL A 36 9.241 -4.152 -3.063 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.553 -4.194 -3.832 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.885 -2.724 -2.679 1.00 0.00 C ATOM 0 H VAL A 36 6.869 -4.213 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 36 8.019 -4.254 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 36 9.365 -4.730 -2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.342 -3.742 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.813 -5.229 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.446 -3.641 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.697 -2.291 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.732 -2.132 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.971 -2.724 -2.086 1.00 0.00 H new ATOM 565 N ALA A 37 8.264 -6.670 -5.409 1.00 0.00 N ATOM 566 CA ALA A 37 8.554 -8.044 -5.800 1.00 0.00 C ATOM 567 C ALA A 37 10.053 -8.262 -5.971 1.00 0.00 C ATOM 568 O ALA A 37 10.633 -9.162 -5.363 1.00 0.00 O ATOM 569 CB ALA A 37 7.818 -8.393 -7.085 1.00 0.00 C ATOM 0 H ALA A 37 7.915 -6.081 -6.165 1.00 0.00 H new ATOM 0 HA ALA A 37 8.207 -8.703 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.044 -9.422 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.744 -8.286 -6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.138 -7.721 -7.882 1.00 0.00 H new ATOM 575 N ASP A 38 10.676 -7.433 -6.801 1.00 0.00 N ATOM 576 CA ASP A 38 12.109 -7.534 -7.052 1.00 0.00 C ATOM 577 C ASP A 38 12.747 -6.151 -7.126 1.00 0.00 C ATOM 578 O ASP A 38 12.232 -5.252 -7.792 1.00 0.00 O ATOM 579 CB ASP A 38 12.368 -8.300 -8.350 1.00 0.00 C ATOM 580 CG ASP A 38 13.680 -9.059 -8.323 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.744 -8.405 -8.271 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.644 -10.307 -8.352 1.00 0.00 O ATOM 0 H ASP A 38 10.211 -6.683 -7.312 1.00 0.00 H new ATOM 0 HA ASP A 38 12.561 -8.078 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.551 -9.000 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.373 -7.601 -9.186 1.00 0.00 H new ATOM 587 N THR A 39 13.872 -5.985 -6.436 1.00 0.00 N ATOM 588 CA THR A 39 14.579 -4.711 -6.422 1.00 0.00 C ATOM 589 C THR A 39 15.802 -4.751 -7.331 1.00 0.00 C ATOM 590 O THR A 39 16.792 -5.416 -7.027 1.00 0.00 O ATOM 591 CB THR A 39 15.025 -4.332 -4.997 1.00 0.00 C ATOM 592 OG1 THR A 39 15.819 -5.384 -4.436 1.00 0.00 O ATOM 593 CG2 THR A 39 13.821 -4.068 -4.105 1.00 0.00 C ATOM 0 H THR A 39 14.312 -6.718 -5.880 1.00 0.00 H new ATOM 0 HA THR A 39 13.881 -3.958 -6.789 1.00 0.00 H new ATOM 0 HB THR A 39 15.620 -3.421 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.355 -5.802 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.161 -3.802 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.235 -3.248 -4.519 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.204 -4.965 -4.052 1.00 0.00 H new ATOM 601 N ASP A 40 15.726 -4.035 -8.448 1.00 0.00 N ATOM 602 CA ASP A 40 16.829 -3.987 -9.401 1.00 0.00 C ATOM 603 C ASP A 40 17.860 -2.941 -8.988 1.00 0.00 C ATOM 604 O ASP A 40 17.729 -2.306 -7.941 1.00 0.00 O ATOM 605 CB ASP A 40 16.304 -3.677 -10.804 1.00 0.00 C ATOM 606 CG ASP A 40 15.926 -4.929 -11.571 1.00 0.00 C ATOM 607 OD1 ASP A 40 16.317 -6.033 -11.135 1.00 0.00 O ATOM 608 OD2 ASP A 40 15.239 -4.806 -12.606 1.00 0.00 O ATOM 0 H ASP A 40 14.913 -3.480 -8.715 1.00 0.00 H new ATOM 0 HA ASP A 40 17.313 -4.964 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.434 -3.025 -10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.065 -3.129 -11.360 1.00 0.00 H new ATOM 613 N ASP A 41 18.885 -2.770 -9.815 1.00 0.00 N ATOM 614 CA ASP A 41 19.939 -1.801 -9.536 1.00 0.00 C ATOM 615 C ASP A 41 19.361 -0.532 -8.918 1.00 0.00 C ATOM 616 O ASP A 41 19.504 -0.291 -7.719 1.00 0.00 O ATOM 617 CB ASP A 41 20.700 -1.459 -10.818 1.00 0.00 C ATOM 618 CG ASP A 41 21.755 -2.493 -11.158 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.402 -3.010 -10.223 1.00 0.00 O ATOM 620 OD2 ASP A 41 21.935 -2.785 -12.359 1.00 0.00 O ATOM 0 H ASP A 41 19.009 -3.289 -10.684 1.00 0.00 H new ATOM 0 HA ASP A 41 20.630 -2.249 -8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.995 -1.378 -11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.174 -0.484 -10.707 1.00 0.00 H new ATOM 625 N HIS A 42 18.708 0.278 -9.746 1.00 0.00 N ATOM 626 CA HIS A 42 18.108 1.524 -9.281 1.00 0.00 C ATOM 627 C HIS A 42 16.606 1.536 -9.547 1.00 0.00 C ATOM 628 O HIS A 42 16.025 2.583 -9.834 1.00 0.00 O ATOM 629 CB HIS A 42 18.769 2.720 -9.968 1.00 0.00 C ATOM 630 CG HIS A 42 20.238 2.541 -10.200 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.202 3.174 -9.444 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.906 1.794 -11.109 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.399 2.825 -9.879 1.00 0.00 C ATOM 634 NE2 HIS A 42 22.248 1.987 -10.889 1.00 0.00 N ATOM 0 H HIS A 42 18.581 0.094 -10.741 1.00 0.00 H new ATOM 0 HA HIS A 42 18.269 1.597 -8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.277 2.896 -10.925 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.611 3.611 -9.360 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.466 1.163 -11.867 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.341 3.167 -9.477 1.00 0.00 H new ATOM 0 HE2 HIS A 42 23.004 1.554 -11.419 1.00 0.00 H new ATOM 643 N ARG A 43 15.983 0.366 -9.450 1.00 0.00 N ATOM 644 CA ARG A 43 14.549 0.242 -9.681 1.00 0.00 C ATOM 645 C ARG A 43 13.954 -0.870 -8.823 1.00 0.00 C ATOM 646 O ARG A 43 14.673 -1.736 -8.324 1.00 0.00 O ATOM 647 CB ARG A 43 14.272 -0.036 -11.160 1.00 0.00 C ATOM 648 CG ARG A 43 15.046 0.868 -12.105 1.00 0.00 C ATOM 649 CD ARG A 43 14.404 0.913 -13.483 1.00 0.00 C ATOM 650 NE ARG A 43 15.355 1.310 -14.517 1.00 0.00 N ATOM 651 CZ ARG A 43 16.193 0.466 -15.109 1.00 0.00 C ATOM 652 NH1 ARG A 43 16.196 -0.816 -14.770 1.00 0.00 N ATOM 653 NH2 ARG A 43 17.029 0.903 -16.042 1.00 0.00 N ATOM 0 H ARG A 43 16.449 -0.510 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 43 14.078 1.184 -9.401 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.521 -1.074 -11.379 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.205 0.083 -11.350 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.092 1.875 -11.691 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.072 0.512 -12.192 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.995 -0.068 -13.724 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.568 1.613 -13.471 1.00 0.00 H new ATOM 0 HE ARG A 43 15.377 2.290 -14.801 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.554 -1.156 -14.054 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.840 -1.462 -15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.029 1.888 -16.306 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.672 0.254 -16.495 1.00 0.00 H new ATOM 667 N VAL A 44 12.636 -0.840 -8.654 1.00 0.00 N ATOM 668 CA VAL A 44 11.944 -1.845 -7.857 1.00 0.00 C ATOM 669 C VAL A 44 10.592 -2.197 -8.469 1.00 0.00 C ATOM 670 O VAL A 44 9.711 -1.345 -8.586 1.00 0.00 O ATOM 671 CB VAL A 44 11.730 -1.364 -6.409 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.062 -1.238 -5.686 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.978 -0.041 -6.393 1.00 0.00 C ATOM 0 H VAL A 44 12.026 -0.130 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 44 12.577 -2.732 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 44 11.127 -2.105 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.891 -0.897 -4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.559 -2.208 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.693 -0.518 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.835 0.284 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.552 0.711 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.007 -0.169 -6.871 1.00 0.00 H new ATOM 683 N LYS A 45 10.435 -3.457 -8.858 1.00 0.00 N ATOM 684 CA LYS A 45 9.191 -3.925 -9.456 1.00 0.00 C ATOM 685 C LYS A 45 8.050 -3.882 -8.444 1.00 0.00 C ATOM 686 O LYS A 45 8.001 -4.689 -7.516 1.00 0.00 O ATOM 687 CB LYS A 45 9.360 -5.349 -9.990 1.00 0.00 C ATOM 688 CG LYS A 45 8.323 -5.737 -11.029 1.00 0.00 C ATOM 689 CD LYS A 45 8.591 -7.121 -11.595 1.00 0.00 C ATOM 690 CE LYS A 45 8.089 -7.246 -13.025 1.00 0.00 C ATOM 691 NZ LYS A 45 8.208 -8.640 -13.536 1.00 0.00 N ATOM 0 H LYS A 45 11.155 -4.174 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 45 8.944 -3.261 -10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.354 -5.449 -10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.306 -6.049 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.330 -5.713 -10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.325 -5.006 -11.837 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.661 -7.326 -11.565 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.105 -7.871 -10.971 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.047 -6.930 -13.073 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.656 -6.574 -13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.855 -8.683 -14.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.205 -8.934 -13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.646 -9.278 -12.937 1.00 0.00 H new ATOM 705 N VAL A 46 7.135 -2.937 -8.631 1.00 0.00 N ATOM 706 CA VAL A 46 5.993 -2.791 -7.735 1.00 0.00 C ATOM 707 C VAL A 46 4.817 -3.641 -8.201 1.00 0.00 C ATOM 708 O VAL A 46 4.231 -3.386 -9.254 1.00 0.00 O ATOM 709 CB VAL A 46 5.542 -1.321 -7.635 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.534 -0.513 -6.813 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.373 -0.721 -9.023 1.00 0.00 C ATOM 0 H VAL A 46 7.162 -2.261 -9.394 1.00 0.00 H new ATOM 0 HA VAL A 46 6.317 -3.132 -6.752 1.00 0.00 H new ATOM 0 HB VAL A 46 4.577 -1.288 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.199 0.522 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.600 -0.931 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.515 -0.550 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.054 0.318 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.323 -0.765 -9.556 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.621 -1.285 -9.574 1.00 0.00 H new ATOM 721 N HIS A 47 4.476 -4.654 -7.411 1.00 0.00 N ATOM 722 CA HIS A 47 3.368 -5.543 -7.742 1.00 0.00 C ATOM 723 C HIS A 47 2.121 -5.179 -6.940 1.00 0.00 C ATOM 724 O HIS A 47 2.122 -5.239 -5.711 1.00 0.00 O ATOM 725 CB HIS A 47 3.755 -6.997 -7.472 1.00 0.00 C ATOM 726 CG HIS A 47 2.593 -7.942 -7.505 1.00 0.00 C ATOM 727 ND1 HIS A 47 2.421 -8.888 -8.493 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.543 -8.084 -6.663 1.00 0.00 C ATOM 729 CE1 HIS A 47 1.314 -9.570 -8.259 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.763 -9.102 -7.154 1.00 0.00 N ATOM 0 H HIS A 47 4.951 -4.880 -6.537 1.00 0.00 H new ATOM 0 HA HIS A 47 3.144 -5.425 -8.802 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.490 -7.312 -8.212 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.237 -7.061 -6.497 1.00 0.00 H new ATOM 0 HD1 HIS A 47 3.050 -9.038 -9.282 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.354 -7.505 -5.771 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.926 -10.373 -8.868 1.00 0.00 H new ATOM 739 N PHE A 48 1.060 -4.800 -7.645 1.00 0.00 N ATOM 740 CA PHE A 48 -0.192 -4.425 -7.000 1.00 0.00 C ATOM 741 C PHE A 48 -1.027 -5.660 -6.673 1.00 0.00 C ATOM 742 O PHE A 48 -1.521 -6.344 -7.569 1.00 0.00 O ATOM 743 CB PHE A 48 -0.991 -3.479 -7.899 1.00 0.00 C ATOM 744 CG PHE A 48 -0.331 -2.145 -8.102 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.892 -2.053 -8.747 1.00 0.00 C ATOM 746 CD2 PHE A 48 -0.933 -0.983 -7.646 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.501 -0.827 -8.935 1.00 0.00 C ATOM 748 CE2 PHE A 48 -0.328 0.246 -7.832 1.00 0.00 C ATOM 749 CZ PHE A 48 0.891 0.324 -8.476 1.00 0.00 C ATOM 0 H PHE A 48 1.043 -4.745 -8.663 1.00 0.00 H new ATOM 0 HA PHE A 48 0.048 -3.913 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.141 -3.953 -8.869 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.978 -3.324 -7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.375 -2.950 -9.107 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.885 -1.038 -7.140 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.454 -0.769 -9.441 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.808 1.145 -7.474 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.366 1.283 -8.620 1.00 0.00 H new ATOM 759 N ASP A 49 -1.180 -5.938 -5.383 1.00 0.00 N ATOM 760 CA ASP A 49 -1.955 -7.090 -4.936 1.00 0.00 C ATOM 761 C ASP A 49 -3.409 -6.974 -5.385 1.00 0.00 C ATOM 762 O ASP A 49 -4.028 -5.919 -5.253 1.00 0.00 O ATOM 763 CB ASP A 49 -1.888 -7.217 -3.413 1.00 0.00 C ATOM 764 CG ASP A 49 -2.001 -8.655 -2.947 1.00 0.00 C ATOM 765 OD1 ASP A 49 -0.958 -9.340 -2.875 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.131 -9.096 -2.653 1.00 0.00 O ATOM 0 H ASP A 49 -0.778 -5.382 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.524 -7.984 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.948 -6.796 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.690 -6.629 -2.967 1.00 0.00 H new ATOM 771 N GLY A 50 -3.947 -8.066 -5.918 1.00 0.00 N ATOM 772 CA GLY A 50 -5.323 -8.066 -6.380 1.00 0.00 C ATOM 773 C GLY A 50 -5.431 -7.863 -7.878 1.00 0.00 C ATOM 774 O GLY A 50 -6.237 -8.515 -8.543 1.00 0.00 O ATOM 0 H GLY A 50 -3.455 -8.951 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.794 -9.011 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.875 -7.277 -5.869 1.00 0.00 H new ATOM 778 N TRP A 51 -4.620 -6.957 -8.411 1.00 0.00 N ATOM 779 CA TRP A 51 -4.630 -6.669 -9.841 1.00 0.00 C ATOM 780 C TRP A 51 -4.486 -7.950 -10.655 1.00 0.00 C ATOM 781 O TRP A 51 -4.234 -9.021 -10.105 1.00 0.00 O ATOM 782 CB TRP A 51 -3.503 -5.696 -10.194 1.00 0.00 C ATOM 783 CG TRP A 51 -3.748 -4.301 -9.706 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.007 -3.916 -8.421 1.00 0.00 C ATOM 785 CD2 TRP A 51 -3.759 -3.106 -10.495 1.00 0.00 C ATOM 786 NE1 TRP A 51 -4.179 -2.554 -8.364 1.00 0.00 N ATOM 787 CE2 TRP A 51 -4.031 -2.034 -9.623 1.00 0.00 C ATOM 788 CE3 TRP A 51 -3.564 -2.838 -11.852 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -4.112 -0.716 -10.067 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -3.646 -1.530 -12.291 1.00 0.00 C ATOM 791 CH2 TRP A 51 -3.917 -0.483 -11.401 1.00 0.00 C ATOM 0 H TRP A 51 -3.947 -6.409 -7.875 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.587 -6.210 -10.087 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.569 -6.063 -9.768 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.375 -5.677 -11.276 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.068 -4.584 -7.575 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -4.384 -2.017 -7.521 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.353 -3.638 -12.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.321 0.093 -9.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.499 -1.311 -13.338 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.973 0.529 -11.775 1.00 0.00 H new ATOM 841 N TYR A 55 -0.330 -6.616 -14.099 1.00 0.00 N ATOM 842 CA TYR A 55 -0.283 -5.192 -14.408 1.00 0.00 C ATOM 843 C TYR A 55 1.002 -4.562 -13.879 1.00 0.00 C ATOM 844 O TYR A 55 1.486 -3.566 -14.417 1.00 0.00 O ATOM 845 CB TYR A 55 -1.497 -4.478 -13.812 1.00 0.00 C ATOM 846 CG TYR A 55 -2.669 -4.382 -14.762 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.625 -3.541 -15.868 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.821 -5.130 -14.554 1.00 0.00 C ATOM 849 CE1 TYR A 55 -3.694 -3.448 -16.738 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.894 -5.045 -15.420 1.00 0.00 C ATOM 851 CZ TYR A 55 -4.826 -4.203 -16.510 1.00 0.00 C ATOM 852 OH TYR A 55 -5.893 -4.115 -17.375 1.00 0.00 O ATOM 0 HA TYR A 55 -0.301 -5.081 -15.492 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.812 -5.005 -12.911 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.204 -3.473 -13.507 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.740 -2.950 -16.050 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.879 -5.789 -13.701 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.644 -2.788 -17.592 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.781 -5.635 -15.244 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.609 -4.711 -17.073 1.00 0.00 H new ATOM 862 N ASP A 56 1.550 -5.150 -12.821 1.00 0.00 N ATOM 863 CA ASP A 56 2.779 -4.649 -12.219 1.00 0.00 C ATOM 864 C ASP A 56 3.759 -4.183 -13.291 1.00 0.00 C ATOM 865 O ASP A 56 3.659 -4.579 -14.452 1.00 0.00 O ATOM 866 CB ASP A 56 3.427 -5.732 -11.354 1.00 0.00 C ATOM 867 CG ASP A 56 2.403 -6.630 -10.688 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.453 -6.096 -10.078 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.552 -7.866 -10.777 1.00 0.00 O ATOM 0 H ASP A 56 1.162 -5.974 -12.363 1.00 0.00 H new ATOM 0 HA ASP A 56 2.524 -3.796 -11.590 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.090 -6.338 -11.972 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.045 -5.261 -10.590 1.00 0.00 H new ATOM 874 N TYR A 57 4.705 -3.339 -12.894 1.00 0.00 N ATOM 875 CA TYR A 57 5.701 -2.816 -13.821 1.00 0.00 C ATOM 876 C TYR A 57 6.969 -2.399 -13.081 1.00 0.00 C ATOM 877 O TYR A 57 6.959 -2.219 -11.864 1.00 0.00 O ATOM 878 CB TYR A 57 5.133 -1.624 -14.594 1.00 0.00 C ATOM 879 CG TYR A 57 4.318 -0.681 -13.738 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.909 0.041 -12.708 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.957 -0.511 -13.960 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.167 0.903 -11.923 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.208 0.350 -13.181 1.00 0.00 C ATOM 884 CZ TYR A 57 2.818 1.054 -12.164 1.00 0.00 C ATOM 885 OH TYR A 57 2.076 1.913 -11.386 1.00 0.00 O ATOM 0 H TYR A 57 4.803 -3.003 -11.936 1.00 0.00 H new ATOM 0 HA TYR A 57 5.957 -3.608 -14.524 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.955 -1.071 -15.048 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.509 -1.993 -15.408 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.966 -0.074 -12.518 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.476 -1.061 -14.755 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.641 1.455 -11.125 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.151 0.471 -13.367 1.00 0.00 H new ATOM 0 HH TYR A 57 1.775 1.446 -10.579 1.00 0.00 H new ATOM 895 N TRP A 58 8.058 -2.248 -13.826 1.00 0.00 N ATOM 896 CA TRP A 58 9.334 -1.853 -13.243 1.00 0.00 C ATOM 897 C TRP A 58 9.400 -0.341 -13.051 1.00 0.00 C ATOM 898 O TRP A 58 9.562 0.409 -14.015 1.00 0.00 O ATOM 899 CB TRP A 58 10.490 -2.318 -14.129 1.00 0.00 C ATOM 900 CG TRP A 58 10.966 -3.702 -13.807 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.819 -4.819 -14.579 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.665 -4.115 -12.628 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.384 -5.903 -13.949 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.910 -5.497 -12.752 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.109 -3.453 -11.481 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.578 -6.225 -11.770 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.771 -4.176 -10.507 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.001 -5.551 -10.657 1.00 0.00 C ATOM 0 H TRP A 58 8.082 -2.393 -14.835 1.00 0.00 H new ATOM 0 HA TRP A 58 9.421 -2.329 -12.266 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.176 -2.283 -15.172 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.322 -1.622 -14.024 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.331 -4.847 -15.542 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.407 -6.855 -14.314 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.938 -2.394 -11.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.756 -7.284 -11.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.117 -3.674 -9.616 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.522 -6.089 -9.879 1.00 0.00 H new ATOM 919 N ILE A 59 9.274 0.099 -11.804 1.00 0.00 N ATOM 920 CA ILE A 59 9.321 1.521 -11.488 1.00 0.00 C ATOM 921 C ILE A 59 10.591 1.872 -10.721 1.00 0.00 C ATOM 922 O ILE A 59 11.079 1.082 -9.913 1.00 0.00 O ATOM 923 CB ILE A 59 8.098 1.954 -10.659 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.943 3.476 -10.694 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.229 1.463 -9.225 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.624 3.963 -10.137 1.00 0.00 C ATOM 0 H ILE A 59 9.139 -0.509 -10.996 1.00 0.00 H new ATOM 0 HA ILE A 59 9.314 2.056 -12.438 1.00 0.00 H new ATOM 0 HB ILE A 59 7.205 1.506 -11.096 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.757 3.929 -10.127 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.042 3.819 -11.724 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.357 1.777 -8.652 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.296 0.375 -9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.129 1.885 -8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.584 5.051 -10.194 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.805 3.539 -10.718 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.531 3.650 -9.097 1.00 0.00 H new ATOM 938 N ASP A 60 11.121 3.063 -10.978 1.00 0.00 N ATOM 939 CA ASP A 60 12.333 3.521 -10.310 1.00 0.00 C ATOM 940 C ASP A 60 12.061 3.829 -8.841 1.00 0.00 C ATOM 941 O ASP A 60 11.155 4.595 -8.515 1.00 0.00 O ATOM 942 CB ASP A 60 12.889 4.763 -11.009 1.00 0.00 C ATOM 943 CG ASP A 60 13.427 4.455 -12.393 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.611 4.296 -13.324 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.664 4.373 -12.544 1.00 0.00 O ATOM 0 H ASP A 60 10.730 3.729 -11.644 1.00 0.00 H new ATOM 0 HA ASP A 60 13.072 2.721 -10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.104 5.515 -11.086 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.684 5.194 -10.401 1.00 0.00 H new ATOM 950 N ALA A 61 12.850 3.226 -7.958 1.00 0.00 N ATOM 951 CA ALA A 61 12.695 3.436 -6.524 1.00 0.00 C ATOM 952 C ALA A 61 12.839 4.911 -6.167 1.00 0.00 C ATOM 953 O ALA A 61 12.353 5.359 -5.129 1.00 0.00 O ATOM 954 CB ALA A 61 13.709 2.603 -5.755 1.00 0.00 C ATOM 0 H ALA A 61 13.604 2.587 -8.211 1.00 0.00 H new ATOM 0 HA ALA A 61 11.692 3.117 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.581 2.770 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.556 1.547 -5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.717 2.894 -6.050 1.00 0.00 H new ATOM 960 N ASP A 62 13.511 5.662 -7.033 1.00 0.00 N ATOM 961 CA ASP A 62 13.720 7.087 -6.809 1.00 0.00 C ATOM 962 C ASP A 62 12.612 7.908 -7.462 1.00 0.00 C ATOM 963 O ASP A 62 12.581 9.133 -7.343 1.00 0.00 O ATOM 964 CB ASP A 62 15.082 7.518 -7.357 1.00 0.00 C ATOM 965 CG ASP A 62 16.233 6.818 -6.661 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.600 7.246 -5.547 1.00 0.00 O ATOM 967 OD2 ASP A 62 16.767 5.844 -7.232 1.00 0.00 O ATOM 0 H ASP A 62 13.920 5.307 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 62 13.696 7.268 -5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.124 7.306 -8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.193 8.596 -7.241 1.00 0.00 H new ATOM 972 N SER A 63 11.706 7.225 -8.153 1.00 0.00 N ATOM 973 CA SER A 63 10.599 7.891 -8.830 1.00 0.00 C ATOM 974 C SER A 63 9.809 8.759 -7.855 1.00 0.00 C ATOM 975 O SER A 63 9.522 8.364 -6.725 1.00 0.00 O ATOM 976 CB SER A 63 9.673 6.858 -9.476 1.00 0.00 C ATOM 977 OG SER A 63 8.502 7.472 -9.987 1.00 0.00 O ATOM 0 H SER A 63 11.716 6.211 -8.259 1.00 0.00 H new ATOM 0 HA SER A 63 11.014 8.533 -9.607 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.200 6.346 -10.281 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.399 6.100 -8.742 1.00 0.00 H new ATOM 0 HG SER A 63 7.928 6.791 -10.396 1.00 0.00 H new ATOM 983 N PRO A 64 9.450 9.972 -8.302 1.00 0.00 N ATOM 984 CA PRO A 64 8.688 10.922 -7.485 1.00 0.00 C ATOM 985 C PRO A 64 7.250 10.470 -7.260 1.00 0.00 C ATOM 986 O PRO A 64 6.574 10.948 -6.349 1.00 0.00 O ATOM 987 CB PRO A 64 8.721 12.208 -8.315 1.00 0.00 C ATOM 988 CG PRO A 64 8.911 11.748 -9.719 1.00 0.00 C ATOM 989 CD PRO A 64 9.758 10.508 -9.638 1.00 0.00 C ATOM 0 HA PRO A 64 9.110 11.032 -6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.796 12.774 -8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.534 12.862 -7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.953 11.536 -10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.400 12.516 -10.318 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.506 9.797 -10.424 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.818 10.738 -9.744 1.00 0.00 H new ATOM 997 N ASP A 65 6.787 9.547 -8.096 1.00 0.00 N ATOM 998 CA ASP A 65 5.428 9.029 -7.986 1.00 0.00 C ATOM 999 C ASP A 65 5.334 7.978 -6.884 1.00 0.00 C ATOM 1000 O ASP A 65 4.271 7.775 -6.297 1.00 0.00 O ATOM 1001 CB ASP A 65 4.979 8.429 -9.320 1.00 0.00 C ATOM 1002 CG ASP A 65 5.588 9.143 -10.510 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.788 10.373 -10.426 1.00 0.00 O ATOM 1004 OD2 ASP A 65 5.864 8.473 -11.527 1.00 0.00 O ATOM 0 H ASP A 65 7.332 9.142 -8.857 1.00 0.00 H new ATOM 0 HA ASP A 65 4.769 9.858 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.255 7.375 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.892 8.476 -9.389 1.00 0.00 H new ATOM 1009 N ILE A 66 6.451 7.314 -6.611 1.00 0.00 N ATOM 1010 CA ILE A 66 6.494 6.284 -5.579 1.00 0.00 C ATOM 1011 C ILE A 66 6.397 6.897 -4.186 1.00 0.00 C ATOM 1012 O ILE A 66 7.173 7.785 -3.832 1.00 0.00 O ATOM 1013 CB ILE A 66 7.784 5.448 -5.671 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.768 4.583 -6.933 1.00 0.00 C ATOM 1015 CG2 ILE A 66 7.943 4.582 -4.431 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.038 3.788 -7.137 1.00 0.00 C ATOM 0 H ILE A 66 7.338 7.470 -7.089 1.00 0.00 H new ATOM 0 HA ILE A 66 5.636 5.633 -5.747 1.00 0.00 H new ATOM 0 HB ILE A 66 8.636 6.126 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.923 3.896 -6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.606 5.223 -7.800 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.859 3.997 -4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.994 5.218 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.090 3.909 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.956 3.199 -8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.885 4.470 -7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.191 3.122 -6.288 1.00 0.00 H new ATOM 1028 N HIS A 67 5.440 6.416 -3.399 1.00 0.00 N ATOM 1029 CA HIS A 67 5.243 6.915 -2.043 1.00 0.00 C ATOM 1030 C HIS A 67 5.183 5.764 -1.044 1.00 0.00 C ATOM 1031 O HIS A 67 4.683 4.678 -1.339 1.00 0.00 O ATOM 1032 CB HIS A 67 3.959 7.742 -1.962 1.00 0.00 C ATOM 1033 CG HIS A 67 3.907 8.864 -2.954 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.707 9.983 -2.866 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.144 9.033 -4.059 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.438 10.794 -3.874 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.493 10.240 -4.613 1.00 0.00 N ATOM 0 H HIS A 67 4.789 5.682 -3.677 1.00 0.00 H new ATOM 0 HA HIS A 67 6.092 7.550 -1.790 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.103 7.086 -2.122 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.863 8.152 -0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.400 8.347 -4.435 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.910 11.747 -4.062 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.088 10.643 -5.458 1.00 0.00 H new ATOM 1046 N PRO A 68 5.706 6.004 0.168 1.00 0.00 N ATOM 1047 CA PRO A 68 5.725 4.998 1.235 1.00 0.00 C ATOM 1048 C PRO A 68 4.332 4.711 1.785 1.00 0.00 C ATOM 1049 O PRO A 68 3.418 5.523 1.643 1.00 0.00 O ATOM 1050 CB PRO A 68 6.603 5.641 2.312 1.00 0.00 C ATOM 1051 CG PRO A 68 6.481 7.107 2.076 1.00 0.00 C ATOM 1052 CD PRO A 68 6.319 7.274 0.590 1.00 0.00 C ATOM 0 HA PRO A 68 6.095 4.035 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.264 5.372 3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.638 5.311 2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.625 7.519 2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.365 7.635 2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.684 8.126 0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.277 7.441 0.098 1.00 0.00 H new ATOM 1060 N VAL A 69 4.177 3.550 2.413 1.00 0.00 N ATOM 1061 CA VAL A 69 2.895 3.156 2.986 1.00 0.00 C ATOM 1062 C VAL A 69 2.324 4.261 3.867 1.00 0.00 C ATOM 1063 O VAL A 69 1.108 4.409 3.987 1.00 0.00 O ATOM 1064 CB VAL A 69 3.025 1.867 3.819 1.00 0.00 C ATOM 1065 CG1 VAL A 69 1.777 1.646 4.660 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.286 0.672 2.913 1.00 0.00 C ATOM 0 H VAL A 69 4.923 2.866 2.538 1.00 0.00 H new ATOM 0 HA VAL A 69 2.218 2.974 2.151 1.00 0.00 H new ATOM 0 HB VAL A 69 3.874 1.975 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.887 0.731 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.639 2.490 5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.909 1.558 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.375 -0.230 3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.459 0.559 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.211 0.831 2.359 1.00 0.00 H new ATOM 1076 N GLY A 70 3.211 5.038 4.483 1.00 0.00 N ATOM 1077 CA GLY A 70 2.776 6.121 5.346 1.00 0.00 C ATOM 1078 C GLY A 70 2.763 7.459 4.634 1.00 0.00 C ATOM 1079 O GLY A 70 3.151 8.477 5.206 1.00 0.00 O ATOM 0 H GLY A 70 4.223 4.936 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.776 5.903 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.436 6.180 6.211 1.00 0.00 H new ATOM 1083 N TRP A 71 2.317 7.457 3.383 1.00 0.00 N ATOM 1084 CA TRP A 71 2.257 8.681 2.592 1.00 0.00 C ATOM 1085 C TRP A 71 0.903 9.364 2.748 1.00 0.00 C ATOM 1086 O TRP A 71 0.829 10.556 3.051 1.00 0.00 O ATOM 1087 CB TRP A 71 2.520 8.373 1.117 1.00 0.00 C ATOM 1088 CG TRP A 71 2.284 9.545 0.214 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.197 10.492 -0.155 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.055 9.896 -0.432 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.609 11.410 -0.992 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.296 11.067 -1.178 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.224 9.334 -0.454 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.304 11.683 -1.935 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.208 9.948 -1.206 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.940 11.112 -1.938 1.00 0.00 C ATOM 0 H TRP A 71 1.992 6.622 2.895 1.00 0.00 H new ATOM 0 HA TRP A 71 3.029 9.358 2.957 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.550 8.036 1.002 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.879 7.549 0.805 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.229 10.516 0.164 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.075 12.216 -1.408 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.440 8.436 0.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.509 12.580 -2.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.201 9.523 -1.230 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.730 11.568 -2.516 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.166 8.603 2.538 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.519 9.137 2.655 1.00 0.00 C ATOM 1109 C CYS A 72 -1.603 10.164 3.780 1.00 0.00 C ATOM 1110 O CYS A 72 -2.274 11.188 3.649 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.516 8.004 2.906 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.272 7.142 4.477 1.00 0.00 S ATOM 0 H CYS A 72 -0.122 7.616 2.286 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.771 9.632 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.527 8.411 2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.442 7.282 2.092 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.163 6.204 4.600 1.00 0.00 H new ATOM 1118 N SER A 73 -0.920 9.882 4.884 1.00 0.00 N ATOM 1119 CA SER A 73 -0.922 10.779 6.034 1.00 0.00 C ATOM 1120 C SER A 73 -0.186 12.076 5.712 1.00 0.00 C ATOM 1121 O SER A 73 -0.788 13.149 5.664 1.00 0.00 O ATOM 1122 CB SER A 73 -0.273 10.097 7.240 1.00 0.00 C ATOM 1123 OG SER A 73 -1.019 8.964 7.648 1.00 0.00 O ATOM 0 H SER A 73 -0.358 9.040 5.007 1.00 0.00 H new ATOM 0 HA SER A 73 -1.958 11.019 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.744 9.795 6.988 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.200 10.805 8.066 1.00 0.00 H new ATOM 0 HG SER A 73 -0.582 8.545 8.419 1.00 0.00 H new ATOM 1129 N LYS A 74 1.120 11.970 5.493 1.00 0.00 N ATOM 1130 CA LYS A 74 1.940 13.133 5.174 1.00 0.00 C ATOM 1131 C LYS A 74 1.149 14.148 4.356 1.00 0.00 C ATOM 1132 O LYS A 74 0.799 15.221 4.849 1.00 0.00 O ATOM 1133 CB LYS A 74 3.191 12.705 4.404 1.00 0.00 C ATOM 1134 CG LYS A 74 3.925 11.535 5.038 1.00 0.00 C ATOM 1135 CD LYS A 74 5.231 11.241 4.319 1.00 0.00 C ATOM 1136 CE LYS A 74 5.583 9.763 4.386 1.00 0.00 C ATOM 1137 NZ LYS A 74 7.056 9.543 4.375 1.00 0.00 N ATOM 0 H LYS A 74 1.634 11.090 5.531 1.00 0.00 H new ATOM 0 HA LYS A 74 2.241 13.603 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.907 12.437 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.871 13.554 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.127 11.756 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.289 10.650 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.152 11.550 3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.034 11.828 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.158 9.329 5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.132 9.243 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.255 8.523 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.459 9.935 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.484 10.017 5.196 1.00 0.00 H new ATOM 1151 N THR A 75 0.869 13.803 3.103 1.00 0.00 N ATOM 1152 CA THR A 75 0.119 14.684 2.217 1.00 0.00 C ATOM 1153 C THR A 75 -1.332 14.810 2.665 1.00 0.00 C ATOM 1154 O THR A 75 -1.905 15.899 2.650 1.00 0.00 O ATOM 1155 CB THR A 75 0.153 14.179 0.762 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.905 13.238 0.545 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.491 13.527 0.446 1.00 0.00 C ATOM 0 H THR A 75 1.151 12.919 2.679 1.00 0.00 H new ATOM 0 HA THR A 75 0.597 15.662 2.266 1.00 0.00 H new ATOM 0 HB THR A 75 0.019 15.035 0.101 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.687 12.673 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.491 13.178 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.291 14.254 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.650 12.681 1.115 1.00 0.00 H new ATOM 1165 N GLY A 76 -1.923 13.688 3.066 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.303 13.695 3.514 1.00 0.00 C ATOM 1167 C GLY A 76 -4.273 13.320 2.410 1.00 0.00 C ATOM 1168 O GLY A 76 -5.408 13.798 2.383 1.00 0.00 O ATOM 0 H GLY A 76 -1.470 12.774 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.416 12.998 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.554 14.686 3.893 1.00 0.00 H new ATOM 1172 N HIS A 77 -3.826 12.464 1.497 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.662 12.027 0.385 1.00 0.00 C ATOM 1174 C HIS A 77 -5.314 10.682 0.692 1.00 0.00 C ATOM 1175 O HIS A 77 -4.736 9.821 1.355 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.833 11.924 -0.895 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.786 13.198 -1.682 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.642 14.439 -1.098 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -3.863 13.418 -3.015 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.634 15.367 -2.038 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.766 14.774 -3.210 1.00 0.00 N ATOM 0 H HIS A 77 -2.890 12.059 1.505 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.448 12.768 0.241 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.816 11.628 -0.637 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.245 11.134 -1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.979 12.667 -3.783 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.536 16.430 -1.875 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.792 15.246 -4.114 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.548 10.496 0.199 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.305 9.258 0.408 1.00 0.00 C ATOM 1192 C PRO A 78 -6.715 8.080 -0.359 1.00 0.00 C ATOM 1193 O PRO A 78 -6.556 8.138 -1.579 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.698 9.600 -0.126 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.467 10.687 -1.118 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.298 11.479 -0.600 1.00 0.00 C ATOM 0 HA PRO A 78 -7.298 8.948 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.168 8.733 -0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.359 9.929 0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.253 10.276 -2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.351 11.317 -1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.693 11.882 -1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.623 12.325 0.005 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.391 7.013 0.362 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.817 5.820 -0.252 1.00 0.00 C ATOM 1206 C LEU A 79 -6.911 4.838 -0.658 1.00 0.00 C ATOM 1207 O LEU A 79 -7.937 4.725 0.012 1.00 0.00 O ATOM 1208 CB LEU A 79 -4.842 5.144 0.714 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.004 4.005 0.133 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.099 4.519 -0.976 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.184 3.335 1.226 1.00 0.00 C ATOM 0 H LEU A 79 -6.516 6.949 1.372 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.277 6.126 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.165 5.903 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.410 4.756 1.560 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.680 3.263 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.510 3.694 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.707 4.951 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.430 5.281 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.594 2.527 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.518 4.067 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.852 2.930 1.986 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.683 4.129 -1.759 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.649 3.155 -2.254 1.00 0.00 C ATOM 1225 C GLN A 80 -7.070 1.745 -2.213 1.00 0.00 C ATOM 1226 O GLN A 80 -5.933 1.502 -2.618 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.072 3.504 -3.682 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.556 4.937 -3.840 1.00 0.00 C ATOM 1229 CD GLN A 80 -9.588 5.322 -2.798 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -9.422 6.308 -2.079 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.661 4.545 -2.712 1.00 0.00 N ATOM 0 H GLN A 80 -5.838 4.211 -2.325 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.524 3.188 -1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.229 3.338 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.866 2.825 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.705 5.614 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.984 5.065 -4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.757 3.738 -3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.389 4.755 -2.030 1.00 0.00 H new ATOM 1240 N PRO A 81 -7.869 0.791 -1.712 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.456 -0.612 -1.606 1.00 0.00 C ATOM 1242 C PRO A 81 -7.342 -1.287 -2.968 1.00 0.00 C ATOM 1243 O PRO A 81 -7.772 -0.752 -3.991 1.00 0.00 O ATOM 1244 CB PRO A 81 -8.580 -1.251 -0.785 1.00 0.00 C ATOM 1245 CG PRO A 81 -9.768 -0.387 -1.033 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.236 1.008 -1.210 1.00 0.00 C ATOM 0 HA PRO A 81 -6.469 -0.714 -1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.765 -2.278 -1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.328 -1.282 0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.310 -0.714 -1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.467 -0.435 -0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.837 1.581 -1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.236 1.560 -0.270 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.749 -2.490 -2.986 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.566 -3.264 -4.217 1.00 0.00 C ATOM 1256 C PRO A 82 -7.883 -3.797 -4.769 1.00 0.00 C ATOM 1257 O PRO A 82 -8.898 -3.817 -4.070 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.664 -4.420 -3.778 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.924 -4.571 -2.319 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.213 -3.187 -1.805 1.00 0.00 C ATOM 0 HA PRO A 82 -6.146 -2.658 -5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.902 -5.336 -4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.614 -4.199 -3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.767 -5.238 -2.140 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.062 -5.004 -1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.933 -3.204 -0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.313 -2.703 -1.427 1.00 0.00 H new