USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 151:sc= 0 (180deg=-1.35) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0.7 USER MOD Single : A 23 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.15) USER MOD Single : A 25 GLN : amide:sc= 0.581 K(o=0.58,f=-0.11) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.04) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.29 K(o=0.29,f=-0.28) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.2) USER MOD Single : A 66 THR OG1 : rot -135:sc= 1.24 USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0399) USER MOD Single : A 70 SER OG : rot -84:sc= 0.129 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.000505 USER MOD Single : A 78 TYR OH : rot 166:sc= 1.21 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 92:sc= 0.0413 USER MOD Single : A 82 CYS SG : rot 160:sc= -0.105 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -10.240 -0.245 -5.273 1.00 0.00 N ATOM 183 CA LYS A 16 -10.282 0.078 -6.701 1.00 0.00 C ATOM 184 C LYS A 16 -9.002 -0.469 -7.375 1.00 0.00 C ATOM 185 O LYS A 16 -8.008 -0.707 -6.680 1.00 0.00 O ATOM 186 CB LYS A 16 -10.380 1.605 -6.857 1.00 0.00 C ATOM 187 CG LYS A 16 -11.746 2.218 -6.507 1.00 0.00 C ATOM 188 CD LYS A 16 -11.750 3.710 -6.891 1.00 0.00 C ATOM 189 CE LYS A 16 -13.091 4.419 -6.653 1.00 0.00 C ATOM 190 NZ LYS A 16 -13.402 4.608 -5.222 1.00 0.00 N ATOM 0 HA LYS A 16 -11.148 -0.379 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.621 2.067 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.138 1.864 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.540 1.692 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.946 2.105 -5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.975 4.222 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.485 3.803 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.073 5.391 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.889 3.840 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.318 5.091 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.449 3.682 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.659 5.185 -4.778 1.00 0.00 H new ATOM 204 N PRO A 17 -8.985 -0.695 -8.703 1.00 0.00 N ATOM 205 CA PRO A 17 -7.817 -1.201 -9.431 1.00 0.00 C ATOM 206 C PRO A 17 -6.660 -0.196 -9.397 1.00 0.00 C ATOM 207 O PRO A 17 -6.850 0.965 -9.038 1.00 0.00 O ATOM 208 CB PRO A 17 -8.301 -1.438 -10.870 1.00 0.00 C ATOM 209 CG PRO A 17 -9.467 -0.468 -11.017 1.00 0.00 C ATOM 210 CD PRO A 17 -10.084 -0.463 -9.620 1.00 0.00 C ATOM 0 HA PRO A 17 -7.432 -2.115 -8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.515 -1.234 -11.597 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.616 -2.470 -11.023 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.131 0.526 -11.314 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.179 -0.803 -11.772 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.573 0.489 -9.412 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.843 -1.239 -9.525 1.00 0.00 H new ATOM 218 N MET A 18 -5.462 -0.628 -9.805 1.00 0.00 N ATOM 219 CA MET A 18 -4.263 0.199 -9.822 1.00 0.00 C ATOM 220 C MET A 18 -3.674 0.140 -11.219 1.00 0.00 C ATOM 221 O MET A 18 -3.387 -0.946 -11.729 1.00 0.00 O ATOM 222 CB MET A 18 -3.268 -0.316 -8.777 1.00 0.00 C ATOM 223 CG MET A 18 -3.862 -0.257 -7.368 1.00 0.00 C ATOM 224 SD MET A 18 -4.170 1.408 -6.752 1.00 0.00 S ATOM 225 CE MET A 18 -2.561 1.758 -6.005 1.00 0.00 C ATOM 0 H MET A 18 -5.302 -1.579 -10.137 1.00 0.00 H new ATOM 0 HA MET A 18 -4.498 1.234 -9.573 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.988 -1.343 -9.013 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.356 0.280 -8.815 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.800 -0.812 -7.360 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.185 -0.765 -6.681 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.370 2.831 -6.039 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.560 1.422 -4.968 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.782 1.233 -6.557 1.00 0.00 H new ATOM 235 N SER A 19 -3.561 1.293 -11.861 1.00 0.00 N ATOM 236 CA SER A 19 -3.011 1.415 -13.201 1.00 0.00 C ATOM 237 C SER A 19 -1.488 1.280 -13.176 1.00 0.00 C ATOM 238 O SER A 19 -0.873 1.299 -12.108 1.00 0.00 O ATOM 239 CB SER A 19 -3.389 2.793 -13.744 1.00 0.00 C ATOM 240 OG SER A 19 -4.789 2.977 -13.675 1.00 0.00 O ATOM 0 H SER A 19 -3.854 2.183 -11.459 1.00 0.00 H new ATOM 0 HA SER A 19 -3.413 0.624 -13.834 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.884 3.570 -13.170 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.052 2.890 -14.776 1.00 0.00 H new ATOM 0 HG SER A 19 -5.020 3.863 -14.024 1.00 0.00 H new ATOM 246 N TYR A 20 -0.866 1.148 -14.350 1.00 0.00 N ATOM 247 CA TYR A 20 0.590 1.050 -14.450 1.00 0.00 C ATOM 248 C TYR A 20 1.207 2.338 -13.893 1.00 0.00 C ATOM 249 O TYR A 20 2.196 2.289 -13.170 1.00 0.00 O ATOM 250 CB TYR A 20 0.988 0.821 -15.911 1.00 0.00 C ATOM 251 CG TYR A 20 2.456 1.058 -16.208 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.422 0.093 -15.862 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.854 2.262 -16.820 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.786 0.347 -16.096 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.211 2.509 -17.076 1.00 0.00 C ATOM 256 CZ TYR A 20 5.185 1.559 -16.705 1.00 0.00 C ATOM 257 OH TYR A 20 6.506 1.832 -16.876 1.00 0.00 O ATOM 0 H TYR A 20 -1.351 1.107 -15.246 1.00 0.00 H new ATOM 0 HA TYR A 20 0.961 0.206 -13.868 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.735 -0.203 -16.187 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.392 1.478 -16.544 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.116 -0.842 -15.417 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.112 2.998 -17.093 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.528 -0.384 -15.810 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.510 3.428 -17.558 1.00 0.00 H new ATOM 0 HH TYR A 20 6.606 2.705 -17.310 1.00 0.00 H new ATOM 267 N GLU A 21 0.587 3.482 -14.191 1.00 0.00 N ATOM 268 CA GLU A 21 1.036 4.789 -13.732 1.00 0.00 C ATOM 269 C GLU A 21 0.968 4.906 -12.209 1.00 0.00 C ATOM 270 O GLU A 21 1.806 5.597 -11.640 1.00 0.00 O ATOM 271 CB GLU A 21 0.162 5.870 -14.386 1.00 0.00 C ATOM 272 CG GLU A 21 0.661 6.215 -15.793 1.00 0.00 C ATOM 273 CD GLU A 21 1.888 7.118 -15.739 1.00 0.00 C ATOM 274 OE1 GLU A 21 1.713 8.341 -15.538 1.00 0.00 O ATOM 275 OE2 GLU A 21 3.015 6.605 -15.908 1.00 0.00 O ATOM 0 H GLU A 21 -0.254 3.522 -14.767 1.00 0.00 H new ATOM 0 HA GLU A 21 2.079 4.922 -14.021 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.870 5.523 -14.439 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.165 6.767 -13.767 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.905 5.298 -16.330 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.133 6.710 -16.352 1.00 0.00 H new ATOM 282 N GLU A 22 -0.010 4.260 -11.563 1.00 0.00 N ATOM 283 CA GLU A 22 -0.170 4.294 -10.108 1.00 0.00 C ATOM 284 C GLU A 22 1.016 3.541 -9.518 1.00 0.00 C ATOM 285 O GLU A 22 1.773 4.067 -8.711 1.00 0.00 O ATOM 286 CB GLU A 22 -1.486 3.611 -9.677 1.00 0.00 C ATOM 287 CG GLU A 22 -2.754 4.277 -10.209 1.00 0.00 C ATOM 288 CD GLU A 22 -3.105 5.574 -9.489 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.447 6.608 -9.734 1.00 0.00 O ATOM 290 OE2 GLU A 22 -4.155 5.619 -8.813 1.00 0.00 O ATOM 0 H GLU A 22 -0.715 3.697 -12.039 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.208 5.325 -9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.468 2.574 -10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.531 3.593 -8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.629 4.483 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.588 3.581 -10.115 1.00 0.00 H new ATOM 297 N LYS A 23 1.205 2.303 -9.987 1.00 0.00 N ATOM 298 CA LYS A 23 2.283 1.433 -9.551 1.00 0.00 C ATOM 299 C LYS A 23 3.630 2.142 -9.723 1.00 0.00 C ATOM 300 O LYS A 23 4.486 2.070 -8.838 1.00 0.00 O ATOM 301 CB LYS A 23 2.224 0.158 -10.389 1.00 0.00 C ATOM 302 CG LYS A 23 0.981 -0.682 -10.062 1.00 0.00 C ATOM 303 CD LYS A 23 0.772 -1.730 -11.144 1.00 0.00 C ATOM 304 CE LYS A 23 -0.481 -2.549 -10.826 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.353 -3.962 -11.226 1.00 0.00 N ATOM 0 H LYS A 23 0.600 1.879 -10.690 1.00 0.00 H new ATOM 0 HA LYS A 23 2.175 1.184 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.219 0.419 -11.447 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.121 -0.436 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.101 -1.165 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.104 -0.039 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.668 -1.248 -12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.642 -2.384 -11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.684 -2.495 -9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.338 -2.108 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.215 -4.478 -10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.221 -4.021 -12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.467 -4.385 -10.747 1.00 0.00 H new ATOM 319 N ARG A 24 3.849 2.801 -10.866 1.00 0.00 N ATOM 320 CA ARG A 24 5.095 3.513 -11.098 1.00 0.00 C ATOM 321 C ARG A 24 5.197 4.699 -10.146 1.00 0.00 C ATOM 322 O ARG A 24 6.230 4.812 -9.500 1.00 0.00 O ATOM 323 CB ARG A 24 5.259 3.945 -12.564 1.00 0.00 C ATOM 324 CG ARG A 24 5.589 2.813 -13.559 1.00 0.00 C ATOM 325 CD ARG A 24 6.758 1.918 -13.108 1.00 0.00 C ATOM 326 NE ARG A 24 7.658 1.523 -14.206 1.00 0.00 N ATOM 327 CZ ARG A 24 8.886 1.013 -14.036 1.00 0.00 C ATOM 328 NH1 ARG A 24 9.276 0.571 -12.844 1.00 0.00 N ATOM 329 NH2 ARG A 24 9.730 0.949 -15.060 1.00 0.00 N ATOM 0 H ARG A 24 3.181 2.852 -11.635 1.00 0.00 H new ATOM 0 HA ARG A 24 5.918 2.828 -10.894 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.338 4.431 -12.886 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.050 4.693 -12.617 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.702 2.195 -13.700 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.830 3.251 -14.528 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.335 2.445 -12.348 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.357 1.020 -12.638 1.00 0.00 H new ATOM 0 HE ARG A 24 7.323 1.646 -15.162 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.639 0.618 -12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.212 0.185 -12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.444 1.288 -15.978 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.664 0.560 -14.928 1.00 0.00 H new ATOM 343 N GLN A 25 4.179 5.554 -10.013 1.00 0.00 N ATOM 344 CA GLN A 25 4.220 6.709 -9.112 1.00 0.00 C ATOM 345 C GLN A 25 4.574 6.265 -7.692 1.00 0.00 C ATOM 346 O GLN A 25 5.425 6.875 -7.046 1.00 0.00 O ATOM 347 CB GLN A 25 2.882 7.462 -9.164 1.00 0.00 C ATOM 348 CG GLN A 25 2.852 8.670 -8.217 1.00 0.00 C ATOM 349 CD GLN A 25 3.976 9.661 -8.507 1.00 0.00 C ATOM 350 OE1 GLN A 25 4.035 10.240 -9.589 1.00 0.00 O ATOM 351 NE2 GLN A 25 4.910 9.870 -7.596 1.00 0.00 N ATOM 0 H GLN A 25 3.303 5.465 -10.527 1.00 0.00 H new ATOM 0 HA GLN A 25 5.000 7.397 -9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.697 7.799 -10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.074 6.779 -8.903 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.891 9.177 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.933 8.323 -7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.862 9.390 -6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.679 10.511 -7.791 1.00 0.00 H new ATOM 360 N LEU A 26 3.967 5.179 -7.222 1.00 0.00 N ATOM 361 CA LEU A 26 4.222 4.628 -5.903 1.00 0.00 C ATOM 362 C LEU A 26 5.711 4.279 -5.772 1.00 0.00 C ATOM 363 O LEU A 26 6.300 4.487 -4.713 1.00 0.00 O ATOM 364 CB LEU A 26 3.268 3.444 -5.711 1.00 0.00 C ATOM 365 CG LEU A 26 3.383 2.674 -4.388 1.00 0.00 C ATOM 366 CD1 LEU A 26 3.379 3.614 -3.183 1.00 0.00 C ATOM 367 CD2 LEU A 26 2.217 1.688 -4.298 1.00 0.00 C ATOM 0 H LEU A 26 3.276 4.653 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 26 4.025 5.340 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.246 3.812 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.429 2.741 -6.529 1.00 0.00 H new ATOM 0 HG LEU A 26 4.333 2.140 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.462 3.030 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.223 4.300 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.449 4.183 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.283 1.131 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.275 2.235 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.262 0.994 -5.137 1.00 0.00 H new ATOM 379 N SER A 27 6.338 3.780 -6.842 1.00 0.00 N ATOM 380 CA SER A 27 7.751 3.436 -6.876 1.00 0.00 C ATOM 381 C SER A 27 8.590 4.697 -6.654 1.00 0.00 C ATOM 382 O SER A 27 9.577 4.633 -5.918 1.00 0.00 O ATOM 383 CB SER A 27 8.109 2.828 -8.236 1.00 0.00 C ATOM 384 OG SER A 27 9.318 2.092 -8.206 1.00 0.00 O ATOM 0 H SER A 27 5.860 3.602 -7.726 1.00 0.00 H new ATOM 0 HA SER A 27 7.958 2.710 -6.089 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.299 2.175 -8.562 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.192 3.625 -8.975 1.00 0.00 H new ATOM 0 HG SER A 27 9.499 1.724 -9.096 1.00 0.00 H new ATOM 390 N LEU A 28 8.242 5.839 -7.273 1.00 0.00 N ATOM 391 CA LEU A 28 8.986 7.081 -7.120 1.00 0.00 C ATOM 392 C LEU A 28 9.006 7.483 -5.659 1.00 0.00 C ATOM 393 O LEU A 28 10.085 7.665 -5.111 1.00 0.00 O ATOM 394 CB LEU A 28 8.375 8.232 -7.939 1.00 0.00 C ATOM 395 CG LEU A 28 8.697 8.257 -9.433 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.188 8.458 -9.724 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.123 7.057 -10.164 1.00 0.00 C ATOM 0 H LEU A 28 7.435 5.917 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 28 9.996 6.900 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.292 8.193 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.708 9.174 -7.503 1.00 0.00 H new ATOM 0 HG LEU A 28 8.196 9.139 -9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.350 8.466 -10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.517 9.407 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.759 7.644 -9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.378 7.119 -11.222 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.539 6.142 -9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.039 7.047 -10.052 1.00 0.00 H new ATOM 409 N ASP A 29 7.837 7.608 -5.032 1.00 0.00 N ATOM 410 CA ASP A 29 7.737 8.005 -3.629 1.00 0.00 C ATOM 411 C ASP A 29 8.449 6.990 -2.734 1.00 0.00 C ATOM 412 O ASP A 29 9.065 7.388 -1.741 1.00 0.00 O ATOM 413 CB ASP A 29 6.274 8.177 -3.228 1.00 0.00 C ATOM 414 CG ASP A 29 5.652 9.414 -3.884 1.00 0.00 C ATOM 415 OD1 ASP A 29 6.016 10.558 -3.525 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.783 9.228 -4.766 1.00 0.00 O ATOM 0 H ASP A 29 6.937 7.438 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 29 8.233 8.967 -3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.710 7.289 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.201 8.264 -2.144 1.00 0.00 H new ATOM 421 N ILE A 30 8.400 5.694 -3.062 1.00 0.00 N ATOM 422 CA ILE A 30 9.088 4.649 -2.301 1.00 0.00 C ATOM 423 C ILE A 30 10.592 4.940 -2.396 1.00 0.00 C ATOM 424 O ILE A 30 11.301 4.857 -1.395 1.00 0.00 O ATOM 425 CB ILE A 30 8.685 3.242 -2.831 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.361 2.810 -2.156 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.767 2.162 -2.639 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.726 1.544 -2.749 1.00 0.00 C ATOM 0 H ILE A 30 7.880 5.341 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 30 8.801 4.650 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 30 8.559 3.333 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.546 2.645 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.646 3.629 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.407 1.212 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.673 2.456 -3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.988 2.053 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.803 1.316 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.504 1.708 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.419 0.709 -2.649 1.00 0.00 H new ATOM 440 N ASN A 31 11.080 5.318 -3.583 1.00 0.00 N ATOM 441 CA ASN A 31 12.480 5.642 -3.853 1.00 0.00 C ATOM 442 C ASN A 31 12.927 6.909 -3.111 1.00 0.00 C ATOM 443 O ASN A 31 14.127 7.189 -3.057 1.00 0.00 O ATOM 444 CB ASN A 31 12.734 5.765 -5.369 1.00 0.00 C ATOM 445 CG ASN A 31 13.142 4.443 -5.992 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.330 4.152 -6.112 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.183 3.632 -6.395 1.00 0.00 N ATOM 0 H ASN A 31 10.488 5.409 -4.409 1.00 0.00 H new ATOM 0 HA ASN A 31 13.084 4.818 -3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.832 6.132 -5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.515 6.504 -5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.419 2.735 -6.820 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.206 3.902 -6.282 1.00 0.00 H new ATOM 454 N LYS A 32 12.004 7.709 -2.562 1.00 0.00 N ATOM 455 CA LYS A 32 12.339 8.913 -1.800 1.00 0.00 C ATOM 456 C LYS A 32 12.491 8.566 -0.314 1.00 0.00 C ATOM 457 O LYS A 32 12.881 9.448 0.454 1.00 0.00 O ATOM 458 CB LYS A 32 11.227 9.982 -1.910 1.00 0.00 C ATOM 459 CG LYS A 32 10.843 10.443 -3.326 1.00 0.00 C ATOM 460 CD LYS A 32 11.946 11.154 -4.119 1.00 0.00 C ATOM 461 CE LYS A 32 12.212 12.493 -3.437 1.00 0.00 C ATOM 462 NZ LYS A 32 13.127 13.374 -4.191 1.00 0.00 N ATOM 0 H LYS A 32 11.001 7.537 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 32 13.269 9.305 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.332 9.591 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.541 10.858 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.516 9.572 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.987 11.113 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.852 10.549 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.638 11.305 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.264 13.010 -3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.632 12.310 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.261 14.263 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.045 12.900 -4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.720 13.579 -5.126 1.00 0.00 H new ATOM 476 N LEU A 33 12.141 7.352 0.127 1.00 0.00 N ATOM 477 CA LEU A 33 12.222 6.977 1.533 1.00 0.00 C ATOM 478 C LEU A 33 13.643 6.727 2.029 1.00 0.00 C ATOM 479 O LEU A 33 14.431 6.067 1.343 1.00 0.00 O ATOM 480 CB LEU A 33 11.448 5.678 1.821 1.00 0.00 C ATOM 481 CG LEU A 33 9.927 5.827 1.742 1.00 0.00 C ATOM 482 CD1 LEU A 33 9.291 4.444 1.658 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.360 6.567 2.968 1.00 0.00 C ATOM 0 H LEU A 33 11.796 6.610 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 33 11.795 7.836 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.765 4.914 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.716 5.321 2.815 1.00 0.00 H new ATOM 0 HG LEU A 33 9.693 6.414 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.207 4.545 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.654 3.930 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.556 3.867 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.277 6.652 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.602 6.010 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.798 7.563 3.027 1.00 0.00 H new ATOM 495 N PRO A 34 13.952 7.176 3.257 1.00 0.00 N ATOM 496 CA PRO A 34 15.251 6.937 3.853 1.00 0.00 C ATOM 497 C PRO A 34 15.344 5.437 4.163 1.00 0.00 C ATOM 498 O PRO A 34 14.315 4.804 4.422 1.00 0.00 O ATOM 499 CB PRO A 34 15.268 7.755 5.140 1.00 0.00 C ATOM 500 CG PRO A 34 13.814 7.976 5.494 1.00 0.00 C ATOM 501 CD PRO A 34 13.110 7.965 4.145 1.00 0.00 C ATOM 0 HA PRO A 34 16.086 7.217 3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.790 7.224 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.786 8.703 4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.437 7.190 6.149 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.668 8.922 6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.115 7.528 4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.983 8.978 3.763 1.00 0.00 H new ATOM 509 N GLY A 35 16.553 4.881 4.222 1.00 0.00 N ATOM 510 CA GLY A 35 16.784 3.466 4.492 1.00 0.00 C ATOM 511 C GLY A 35 15.999 2.924 5.684 1.00 0.00 C ATOM 512 O GLY A 35 15.274 1.937 5.521 1.00 0.00 O ATOM 0 H GLY A 35 17.413 5.411 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.521 2.890 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.848 3.310 4.670 1.00 0.00 H new ATOM 516 N GLU A 36 16.060 3.574 6.854 1.00 0.00 N ATOM 517 CA GLU A 36 15.354 3.115 8.049 1.00 0.00 C ATOM 518 C GLU A 36 13.828 3.134 7.881 1.00 0.00 C ATOM 519 O GLU A 36 13.121 2.434 8.607 1.00 0.00 O ATOM 520 CB GLU A 36 15.827 3.843 9.323 1.00 0.00 C ATOM 521 CG GLU A 36 15.270 5.254 9.570 1.00 0.00 C ATOM 522 CD GLU A 36 15.871 6.370 8.706 1.00 0.00 C ATOM 523 OE1 GLU A 36 16.733 6.107 7.837 1.00 0.00 O ATOM 524 OE2 GLU A 36 15.461 7.537 8.909 1.00 0.00 O ATOM 0 H GLU A 36 16.599 4.429 6.994 1.00 0.00 H new ATOM 0 HA GLU A 36 15.622 2.067 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.571 3.223 10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.915 3.909 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.193 5.233 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.427 5.508 10.618 1.00 0.00 H new ATOM 531 N LYS A 37 13.282 3.925 6.946 1.00 0.00 N ATOM 532 CA LYS A 37 11.832 3.965 6.722 1.00 0.00 C ATOM 533 C LYS A 37 11.439 3.101 5.529 1.00 0.00 C ATOM 534 O LYS A 37 10.261 2.740 5.431 1.00 0.00 O ATOM 535 CB LYS A 37 11.324 5.403 6.585 1.00 0.00 C ATOM 536 CG LYS A 37 11.662 6.242 7.832 1.00 0.00 C ATOM 537 CD LYS A 37 11.097 7.665 7.739 1.00 0.00 C ATOM 538 CE LYS A 37 9.622 7.721 8.136 1.00 0.00 C ATOM 539 NZ LYS A 37 9.420 7.580 9.594 1.00 0.00 N ATOM 0 H LYS A 37 13.820 4.542 6.337 1.00 0.00 H new ATOM 0 HA LYS A 37 11.345 3.543 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.768 5.865 5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.245 5.396 6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.262 5.751 8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.744 6.289 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.672 8.327 8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.213 8.036 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.196 8.668 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.080 6.929 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.430 7.792 9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.643 6.606 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.045 8.242 10.097 1.00 0.00 H new ATOM 553 N LEU A 38 12.375 2.752 4.643 1.00 0.00 N ATOM 554 CA LEU A 38 12.112 1.927 3.475 1.00 0.00 C ATOM 555 C LEU A 38 11.850 0.494 3.910 1.00 0.00 C ATOM 556 O LEU A 38 10.872 -0.070 3.452 1.00 0.00 O ATOM 557 CB LEU A 38 13.234 2.063 2.439 1.00 0.00 C ATOM 558 CG LEU A 38 12.916 1.396 1.085 1.00 0.00 C ATOM 559 CD1 LEU A 38 13.584 2.173 -0.057 1.00 0.00 C ATOM 560 CD2 LEU A 38 13.384 -0.061 1.016 1.00 0.00 C ATOM 0 H LEU A 38 13.350 3.042 4.724 1.00 0.00 H new ATOM 0 HA LEU A 38 11.211 2.276 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.436 3.121 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.145 1.624 2.845 1.00 0.00 H new ATOM 0 HG LEU A 38 11.831 1.410 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.353 1.693 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.211 3.197 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.664 2.182 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.133 -0.478 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.463 -0.104 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.889 -0.640 1.796 1.00 0.00 H new ATOM 572 N GLY A 39 12.602 -0.086 4.851 1.00 0.00 N ATOM 573 CA GLY A 39 12.373 -1.464 5.314 1.00 0.00 C ATOM 574 C GLY A 39 10.998 -1.679 5.958 1.00 0.00 C ATOM 575 O GLY A 39 10.693 -2.769 6.443 1.00 0.00 O ATOM 0 H GLY A 39 13.383 0.381 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.478 -2.144 4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.147 -1.729 6.034 1.00 0.00 H new ATOM 579 N ARG A 40 10.186 -0.627 6.120 1.00 0.00 N ATOM 580 CA ARG A 40 8.841 -0.765 6.660 1.00 0.00 C ATOM 581 C ARG A 40 7.862 -1.037 5.511 1.00 0.00 C ATOM 582 O ARG A 40 6.763 -1.530 5.765 1.00 0.00 O ATOM 583 CB ARG A 40 8.449 0.488 7.455 1.00 0.00 C ATOM 584 CG ARG A 40 7.251 0.247 8.388 1.00 0.00 C ATOM 585 CD ARG A 40 7.600 -0.864 9.388 1.00 0.00 C ATOM 586 NE ARG A 40 6.671 -0.987 10.509 1.00 0.00 N ATOM 587 CZ ARG A 40 6.798 -1.887 11.489 1.00 0.00 C ATOM 588 NH1 ARG A 40 7.824 -2.739 11.503 1.00 0.00 N ATOM 589 NH2 ARG A 40 5.884 -1.933 12.448 1.00 0.00 N ATOM 0 H ARG A 40 10.445 0.330 5.882 1.00 0.00 H new ATOM 0 HA ARG A 40 8.806 -1.607 7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.303 0.821 8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.208 1.293 6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.000 1.165 8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.373 -0.035 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.636 -1.815 8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.600 -0.681 9.780 1.00 0.00 H new ATOM 0 HE ARG A 40 5.877 -0.347 10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.523 -2.708 10.760 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.910 -3.421 12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.095 -1.286 12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.969 -2.615 13.202 1.00 0.00 H new ATOM 603 N VAL A 41 8.239 -0.711 4.272 1.00 0.00 N ATOM 604 CA VAL A 41 7.469 -0.896 3.051 1.00 0.00 C ATOM 605 C VAL A 41 7.252 -2.397 2.866 1.00 0.00 C ATOM 606 O VAL A 41 6.107 -2.830 2.822 1.00 0.00 O ATOM 607 CB VAL A 41 8.214 -0.223 1.874 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.567 -0.448 0.506 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.308 1.295 2.085 1.00 0.00 C ATOM 0 H VAL A 41 9.147 -0.285 4.089 1.00 0.00 H new ATOM 0 HA VAL A 41 6.489 -0.422 3.099 1.00 0.00 H new ATOM 0 HB VAL A 41 9.196 -0.696 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.153 0.058 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.532 -1.516 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.554 -0.046 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.836 1.747 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.305 1.716 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.850 1.501 3.008 1.00 0.00 H new ATOM 619 N VAL A 42 8.316 -3.203 2.870 1.00 0.00 N ATOM 620 CA VAL A 42 8.264 -4.658 2.712 1.00 0.00 C ATOM 621 C VAL A 42 7.275 -5.327 3.691 1.00 0.00 C ATOM 622 O VAL A 42 6.546 -6.249 3.316 1.00 0.00 O ATOM 623 CB VAL A 42 9.705 -5.200 2.810 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.349 -4.956 4.167 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.806 -6.670 2.415 1.00 0.00 C ATOM 0 H VAL A 42 9.266 -2.851 2.987 1.00 0.00 H new ATOM 0 HA VAL A 42 7.863 -4.912 1.731 1.00 0.00 H new ATOM 0 HB VAL A 42 10.274 -4.622 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.361 -5.362 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.387 -3.885 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.761 -5.447 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.841 -7.000 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.178 -7.268 3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.471 -6.794 1.385 1.00 0.00 H new ATOM 635 N HIS A 43 7.184 -4.832 4.933 1.00 0.00 N ATOM 636 CA HIS A 43 6.279 -5.370 5.949 1.00 0.00 C ATOM 637 C HIS A 43 4.820 -5.213 5.514 1.00 0.00 C ATOM 638 O HIS A 43 3.949 -5.951 5.983 1.00 0.00 O ATOM 639 CB HIS A 43 6.477 -4.643 7.292 1.00 0.00 C ATOM 640 CG HIS A 43 7.450 -5.280 8.245 1.00 0.00 C ATOM 641 ND1 HIS A 43 7.253 -5.393 9.602 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.667 -5.833 7.949 1.00 0.00 C ATOM 643 CE1 HIS A 43 8.332 -5.996 10.122 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.210 -6.297 9.151 1.00 0.00 N ATOM 0 H HIS A 43 7.741 -4.042 5.259 1.00 0.00 H new ATOM 0 HA HIS A 43 6.511 -6.428 6.069 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.812 -3.626 7.087 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.509 -4.566 7.788 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.122 -5.898 6.972 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.475 -6.209 11.171 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.104 -6.774 9.268 1.00 0.00 H new ATOM 652 N ILE A 44 4.509 -4.222 4.677 1.00 0.00 N ATOM 653 CA ILE A 44 3.151 -3.998 4.199 1.00 0.00 C ATOM 654 C ILE A 44 2.806 -5.158 3.263 1.00 0.00 C ATOM 655 O ILE A 44 1.695 -5.682 3.348 1.00 0.00 O ATOM 656 CB ILE A 44 3.020 -2.601 3.557 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.417 -1.511 4.578 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.581 -2.371 3.063 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.602 -0.105 4.007 1.00 0.00 C ATOM 0 H ILE A 44 5.191 -3.556 4.315 1.00 0.00 H new ATOM 0 HA ILE A 44 2.427 -3.990 5.014 1.00 0.00 H new ATOM 0 HB ILE A 44 3.692 -2.544 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.653 -1.471 5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.346 -1.813 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.505 -1.381 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.326 -3.128 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.892 -2.441 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.879 0.580 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.389 -0.119 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.670 0.228 3.551 1.00 0.00 H new ATOM 671 N ILE A 45 3.738 -5.594 2.402 1.00 0.00 N ATOM 672 CA ILE A 45 3.466 -6.718 1.511 1.00 0.00 C ATOM 673 C ILE A 45 3.249 -7.964 2.371 1.00 0.00 C ATOM 674 O ILE A 45 2.292 -8.685 2.110 1.00 0.00 O ATOM 675 CB ILE A 45 4.536 -6.958 0.419 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.666 -5.772 -0.566 1.00 0.00 C ATOM 677 CG2 ILE A 45 4.094 -8.199 -0.383 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.725 -4.751 -0.148 1.00 0.00 C ATOM 0 H ILE A 45 4.670 -5.190 2.308 1.00 0.00 H new ATOM 0 HA ILE A 45 2.569 -6.474 0.942 1.00 0.00 H new ATOM 0 HB ILE A 45 5.503 -7.084 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.913 -6.156 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.702 -5.271 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.823 -8.405 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.026 -9.058 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.119 -8.012 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.764 -3.946 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.468 -4.340 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.698 -5.239 -0.092 1.00 0.00 H new ATOM 690 N GLN A 46 4.049 -8.214 3.418 1.00 0.00 N ATOM 691 CA GLN A 46 3.850 -9.395 4.270 1.00 0.00 C ATOM 692 C GLN A 46 2.446 -9.408 4.894 1.00 0.00 C ATOM 693 O GLN A 46 1.915 -10.467 5.242 1.00 0.00 O ATOM 694 CB GLN A 46 4.883 -9.445 5.396 1.00 0.00 C ATOM 695 CG GLN A 46 6.326 -9.656 4.925 1.00 0.00 C ATOM 696 CD GLN A 46 7.216 -9.981 6.123 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.044 -9.411 7.201 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.133 -10.922 5.987 1.00 0.00 N ATOM 0 H GLN A 46 4.832 -7.621 3.693 1.00 0.00 H new ATOM 0 HA GLN A 46 3.967 -10.267 3.626 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.831 -8.515 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.616 -10.250 6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.367 -10.468 4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.689 -8.760 4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.261 -11.383 5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.713 -11.188 6.783 1.00 0.00 H new ATOM 707 N SER A 47 1.821 -8.236 5.048 1.00 0.00 N ATOM 708 CA SER A 47 0.481 -8.124 5.598 1.00 0.00 C ATOM 709 C SER A 47 -0.561 -8.651 4.604 1.00 0.00 C ATOM 710 O SER A 47 -1.700 -8.929 4.985 1.00 0.00 O ATOM 711 CB SER A 47 0.217 -6.656 5.956 1.00 0.00 C ATOM 712 OG SER A 47 -0.833 -6.529 6.887 1.00 0.00 O ATOM 0 H SER A 47 2.238 -7.341 4.792 1.00 0.00 H new ATOM 0 HA SER A 47 0.401 -8.733 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.124 -6.213 6.367 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.029 -6.099 5.052 1.00 0.00 H new ATOM 0 HG SER A 47 -0.974 -5.582 7.094 1.00 0.00 H new ATOM 718 N ARG A 48 -0.198 -8.818 3.333 1.00 0.00 N ATOM 719 CA ARG A 48 -1.053 -9.300 2.257 1.00 0.00 C ATOM 720 C ARG A 48 -0.610 -10.648 1.732 1.00 0.00 C ATOM 721 O ARG A 48 -1.461 -11.426 1.310 1.00 0.00 O ATOM 722 CB ARG A 48 -1.050 -8.279 1.109 1.00 0.00 C ATOM 723 CG ARG A 48 -1.402 -6.854 1.551 1.00 0.00 C ATOM 724 CD ARG A 48 -2.862 -6.641 1.950 1.00 0.00 C ATOM 725 NE ARG A 48 -3.200 -7.126 3.302 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.194 -6.643 4.056 1.00 0.00 C ATOM 727 NH1 ARG A 48 -4.805 -5.510 3.746 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.589 -7.293 5.146 1.00 0.00 N ATOM 0 H ARG A 48 0.748 -8.610 3.013 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.058 -9.419 2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.065 -8.272 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.761 -8.600 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.768 -6.585 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.160 -6.168 0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.091 -5.577 1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.502 -7.145 1.226 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.636 -7.883 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.520 -4.987 2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.561 -5.160 4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.134 -8.166 5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.348 -6.919 5.716 1.00 0.00 H new ATOM 742 N GLU A 49 0.679 -10.946 1.795 1.00 0.00 N ATOM 743 CA GLU A 49 1.247 -12.180 1.295 1.00 0.00 C ATOM 744 C GLU A 49 1.673 -13.093 2.436 1.00 0.00 C ATOM 745 O GLU A 49 2.786 -12.946 2.952 1.00 0.00 O ATOM 746 CB GLU A 49 2.437 -11.872 0.374 1.00 0.00 C ATOM 747 CG GLU A 49 2.066 -11.057 -0.866 1.00 0.00 C ATOM 748 CD GLU A 49 0.913 -11.677 -1.665 1.00 0.00 C ATOM 749 OE1 GLU A 49 0.953 -12.895 -1.957 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.062 -10.956 -1.987 1.00 0.00 O ATOM 0 H GLU A 49 1.371 -10.319 2.205 1.00 0.00 H new ATOM 0 HA GLU A 49 0.482 -12.704 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.192 -11.328 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.891 -12.811 0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.789 -10.048 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.941 -10.967 -1.510 1.00 0.00 H new ATOM 757 N PRO A 50 0.834 -14.055 2.859 1.00 0.00 N ATOM 758 CA PRO A 50 1.227 -14.967 3.923 1.00 0.00 C ATOM 759 C PRO A 50 2.421 -15.799 3.441 1.00 0.00 C ATOM 760 O PRO A 50 3.273 -16.186 4.237 1.00 0.00 O ATOM 761 CB PRO A 50 -0.013 -15.806 4.230 1.00 0.00 C ATOM 762 CG PRO A 50 -0.795 -15.775 2.921 1.00 0.00 C ATOM 763 CD PRO A 50 -0.500 -14.380 2.374 1.00 0.00 C ATOM 0 HA PRO A 50 1.553 -14.465 4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.252 -16.824 4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.590 -15.384 5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.464 -16.555 2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.862 -15.926 3.085 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.537 -14.368 1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.234 -13.655 2.726 1.00 0.00 H new ATOM 771 N SER A 51 2.541 -16.003 2.130 1.00 0.00 N ATOM 772 CA SER A 51 3.611 -16.735 1.488 1.00 0.00 C ATOM 773 C SER A 51 4.962 -16.026 1.651 1.00 0.00 C ATOM 774 O SER A 51 5.994 -16.679 1.503 1.00 0.00 O ATOM 775 CB SER A 51 3.248 -16.865 0.004 1.00 0.00 C ATOM 776 OG SER A 51 1.881 -17.214 -0.140 1.00 0.00 O ATOM 0 H SER A 51 1.859 -15.642 1.463 1.00 0.00 H new ATOM 0 HA SER A 51 3.717 -17.716 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.446 -15.924 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.875 -17.623 -0.466 1.00 0.00 H new ATOM 0 HG SER A 51 1.662 -17.292 -1.092 1.00 0.00 H new ATOM 782 N LEU A 52 4.977 -14.716 1.940 1.00 0.00 N ATOM 783 CA LEU A 52 6.171 -13.893 2.135 1.00 0.00 C ATOM 784 C LEU A 52 6.382 -13.502 3.608 1.00 0.00 C ATOM 785 O LEU A 52 7.412 -12.912 3.936 1.00 0.00 O ATOM 786 CB LEU A 52 6.113 -12.661 1.198 1.00 0.00 C ATOM 787 CG LEU A 52 6.693 -12.839 -0.227 1.00 0.00 C ATOM 788 CD1 LEU A 52 8.034 -13.588 -0.280 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.711 -13.540 -1.169 1.00 0.00 C ATOM 0 H LEU A 52 4.115 -14.181 2.048 1.00 0.00 H new ATOM 0 HA LEU A 52 7.045 -14.487 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.071 -12.354 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.645 -11.841 1.681 1.00 0.00 H new ATOM 0 HG LEU A 52 6.870 -11.816 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.366 -13.667 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.779 -13.042 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.910 -14.587 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.163 -13.642 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.472 -14.528 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.798 -12.950 -1.247 1.00 0.00 H new ATOM 801 N LYS A 53 5.461 -13.840 4.524 1.00 0.00 N ATOM 802 CA LYS A 53 5.559 -13.493 5.946 1.00 0.00 C ATOM 803 C LYS A 53 6.695 -14.169 6.722 1.00 0.00 C ATOM 804 O LYS A 53 6.838 -13.883 7.909 1.00 0.00 O ATOM 805 CB LYS A 53 4.199 -13.702 6.644 1.00 0.00 C ATOM 806 CG LYS A 53 3.975 -15.068 7.325 1.00 0.00 C ATOM 807 CD LYS A 53 2.740 -15.091 8.227 1.00 0.00 C ATOM 808 CE LYS A 53 1.431 -15.074 7.437 1.00 0.00 C ATOM 809 NZ LYS A 53 0.261 -15.152 8.331 1.00 0.00 N ATOM 0 H LYS A 53 4.619 -14.368 4.293 1.00 0.00 H new ATOM 0 HA LYS A 53 5.828 -12.437 5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.079 -12.922 7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.411 -13.556 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.873 -15.837 6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.855 -15.322 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.770 -15.982 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.767 -14.230 8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.376 -14.163 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.414 -15.912 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.611 -15.138 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.302 -16.034 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.265 -14.339 8.980 1.00 0.00 H new ATOM 823 N ASN A 54 7.451 -15.089 6.122 1.00 0.00 N ATOM 824 CA ASN A 54 8.551 -15.800 6.782 1.00 0.00 C ATOM 825 C ASN A 54 9.872 -15.565 6.036 1.00 0.00 C ATOM 826 O ASN A 54 10.845 -16.297 6.241 1.00 0.00 O ATOM 827 CB ASN A 54 8.221 -17.300 6.921 1.00 0.00 C ATOM 828 CG ASN A 54 6.823 -17.577 7.467 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.540 -17.372 8.644 1.00 0.00 O ATOM 830 ND2 ASN A 54 5.892 -18.016 6.637 1.00 0.00 N ATOM 0 H ASN A 54 7.316 -15.367 5.150 1.00 0.00 H new ATOM 0 HA ASN A 54 8.674 -15.401 7.789 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.320 -17.776 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.956 -17.764 7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.944 -18.183 6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.121 -18.188 5.658 1.00 0.00 H new ATOM 837 N SER A 55 9.903 -14.583 5.132 1.00 0.00 N ATOM 838 CA SER A 55 11.064 -14.215 4.337 1.00 0.00 C ATOM 839 C SER A 55 11.738 -12.977 4.942 1.00 0.00 C ATOM 840 O SER A 55 11.133 -12.228 5.716 1.00 0.00 O ATOM 841 CB SER A 55 10.593 -13.982 2.895 1.00 0.00 C ATOM 842 OG SER A 55 10.036 -15.177 2.370 1.00 0.00 O ATOM 0 H SER A 55 9.087 -14.005 4.931 1.00 0.00 H new ATOM 0 HA SER A 55 11.812 -15.008 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.852 -13.183 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.431 -13.659 2.277 1.00 0.00 H new ATOM 0 HG SER A 55 9.736 -15.021 1.450 1.00 0.00 H new ATOM 848 N ASN A 56 13.014 -12.779 4.625 1.00 0.00 N ATOM 849 CA ASN A 56 13.790 -11.643 5.120 1.00 0.00 C ATOM 850 C ASN A 56 13.347 -10.380 4.377 1.00 0.00 C ATOM 851 O ASN A 56 13.026 -10.486 3.192 1.00 0.00 O ATOM 852 CB ASN A 56 15.276 -11.895 4.848 1.00 0.00 C ATOM 853 CG ASN A 56 16.182 -11.245 5.871 1.00 0.00 C ATOM 854 OD1 ASN A 56 15.955 -11.371 7.069 1.00 0.00 O ATOM 855 ND2 ASN A 56 17.206 -10.536 5.437 1.00 0.00 N ATOM 0 H ASN A 56 13.542 -13.403 4.015 1.00 0.00 H new ATOM 0 HA ASN A 56 13.629 -11.518 6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.461 -12.969 4.837 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.527 -11.518 3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.829 -10.079 6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.375 -10.445 4.435 1.00 0.00 H new ATOM 862 N PRO A 57 13.390 -9.177 4.973 1.00 0.00 N ATOM 863 CA PRO A 57 12.969 -7.959 4.290 1.00 0.00 C ATOM 864 C PRO A 57 13.883 -7.595 3.118 1.00 0.00 C ATOM 865 O PRO A 57 13.497 -6.844 2.226 1.00 0.00 O ATOM 866 CB PRO A 57 12.974 -6.872 5.364 1.00 0.00 C ATOM 867 CG PRO A 57 13.934 -7.373 6.428 1.00 0.00 C ATOM 868 CD PRO A 57 13.756 -8.883 6.345 1.00 0.00 C ATOM 0 HA PRO A 57 11.984 -8.085 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.302 -5.916 4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.976 -6.718 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.961 -7.073 6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.682 -6.988 7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.676 -9.398 6.620 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.983 -9.221 7.034 1.00 0.00 H new ATOM 876 N ASP A 58 15.104 -8.116 3.129 1.00 0.00 N ATOM 877 CA ASP A 58 16.149 -7.921 2.126 1.00 0.00 C ATOM 878 C ASP A 58 16.177 -9.047 1.078 1.00 0.00 C ATOM 879 O ASP A 58 17.054 -9.082 0.218 1.00 0.00 O ATOM 880 CB ASP A 58 17.465 -7.773 2.883 1.00 0.00 C ATOM 881 CG ASP A 58 18.683 -7.559 1.996 1.00 0.00 C ATOM 882 OD1 ASP A 58 18.645 -6.663 1.123 1.00 0.00 O ATOM 883 OD2 ASP A 58 19.712 -8.213 2.279 1.00 0.00 O ATOM 0 H ASP A 58 15.412 -8.725 3.887 1.00 0.00 H new ATOM 0 HA ASP A 58 15.955 -7.023 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.381 -6.932 3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.624 -8.666 3.488 1.00 0.00 H new ATOM 888 N GLU A 59 15.226 -9.982 1.139 1.00 0.00 N ATOM 889 CA GLU A 59 15.095 -11.113 0.215 1.00 0.00 C ATOM 890 C GLU A 59 13.734 -11.032 -0.513 1.00 0.00 C ATOM 891 O GLU A 59 13.391 -11.932 -1.286 1.00 0.00 O ATOM 892 CB GLU A 59 15.237 -12.438 0.994 1.00 0.00 C ATOM 893 CG GLU A 59 16.563 -12.627 1.765 1.00 0.00 C ATOM 894 CD GLU A 59 17.770 -13.127 0.975 1.00 0.00 C ATOM 895 OE1 GLU A 59 17.698 -13.277 -0.260 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.808 -13.398 1.632 1.00 0.00 O ATOM 0 H GLU A 59 14.501 -9.973 1.857 1.00 0.00 H new ATOM 0 HA GLU A 59 15.885 -11.074 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.413 -12.510 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.126 -13.264 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.829 -11.672 2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.381 -13.326 2.581 1.00 0.00 H new ATOM 903 N ILE A 60 12.944 -9.980 -0.264 1.00 0.00 N ATOM 904 CA ILE A 60 11.630 -9.752 -0.847 1.00 0.00 C ATOM 905 C ILE A 60 11.718 -8.617 -1.865 1.00 0.00 C ATOM 906 O ILE A 60 12.009 -7.469 -1.509 1.00 0.00 O ATOM 907 CB ILE A 60 10.590 -9.444 0.255 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.400 -10.642 1.210 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.218 -9.071 -0.348 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.826 -10.227 2.572 1.00 0.00 C ATOM 0 H ILE A 60 13.221 -9.237 0.377 1.00 0.00 H new ATOM 0 HA ILE A 60 11.299 -10.655 -1.360 1.00 0.00 H new ATOM 0 HB ILE A 60 10.982 -8.595 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.734 -11.370 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.359 -11.138 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.512 -8.861 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.325 -8.187 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.847 -9.901 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.713 -11.108 3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.503 -9.521 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.853 -9.756 2.429 1.00 0.00 H new ATOM 922 N GLU A 61 11.519 -8.954 -3.134 1.00 0.00 N ATOM 923 CA GLU A 61 11.505 -7.993 -4.226 1.00 0.00 C ATOM 924 C GLU A 61 10.058 -7.515 -4.348 1.00 0.00 C ATOM 925 O GLU A 61 9.124 -8.291 -4.127 1.00 0.00 O ATOM 926 CB GLU A 61 12.009 -8.617 -5.535 1.00 0.00 C ATOM 927 CG GLU A 61 13.544 -8.627 -5.599 1.00 0.00 C ATOM 928 CD GLU A 61 14.154 -7.226 -5.440 1.00 0.00 C ATOM 929 OE1 GLU A 61 13.643 -6.268 -6.066 1.00 0.00 O ATOM 930 OE2 GLU A 61 15.141 -7.092 -4.677 1.00 0.00 O ATOM 0 H GLU A 61 11.361 -9.916 -3.435 1.00 0.00 H new ATOM 0 HA GLU A 61 12.178 -7.159 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.633 -9.637 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.612 -8.058 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.932 -9.278 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.861 -9.051 -6.552 1.00 0.00 H new ATOM 937 N ILE A 62 9.854 -6.240 -4.682 1.00 0.00 N ATOM 938 CA ILE A 62 8.525 -5.665 -4.814 1.00 0.00 C ATOM 939 C ILE A 62 8.197 -5.630 -6.309 1.00 0.00 C ATOM 940 O ILE A 62 8.670 -4.769 -7.053 1.00 0.00 O ATOM 941 CB ILE A 62 8.437 -4.304 -4.084 1.00 0.00 C ATOM 942 CG1 ILE A 62 8.969 -4.376 -2.632 1.00 0.00 C ATOM 943 CG2 ILE A 62 6.961 -3.891 -4.041 1.00 0.00 C ATOM 944 CD1 ILE A 62 8.960 -3.036 -1.886 1.00 0.00 C ATOM 0 H ILE A 62 10.610 -5.581 -4.868 1.00 0.00 H new ATOM 0 HA ILE A 62 7.761 -6.268 -4.322 1.00 0.00 H new ATOM 0 HB ILE A 62 9.052 -3.585 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.368 -5.093 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.989 -4.761 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.866 -2.932 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.579 -3.800 -5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.387 -4.646 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.348 -3.178 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.586 -2.319 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.940 -2.657 -1.832 1.00 0.00 H new ATOM 956 N ASP A 63 7.357 -6.571 -6.724 1.00 0.00 N ATOM 957 CA ASP A 63 6.853 -6.825 -8.063 1.00 0.00 C ATOM 958 C ASP A 63 5.423 -6.289 -8.141 1.00 0.00 C ATOM 959 O ASP A 63 4.457 -6.921 -7.719 1.00 0.00 O ATOM 960 CB ASP A 63 6.965 -8.328 -8.377 1.00 0.00 C ATOM 961 CG ASP A 63 6.390 -9.313 -7.341 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.112 -8.960 -6.175 1.00 0.00 O ATOM 963 OD2 ASP A 63 6.270 -10.512 -7.676 1.00 0.00 O ATOM 0 H ASP A 63 6.974 -7.243 -6.059 1.00 0.00 H new ATOM 0 HA ASP A 63 7.441 -6.311 -8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.467 -8.511 -9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.019 -8.565 -8.518 1.00 0.00 H new ATOM 968 N PHE A 64 5.258 -5.069 -8.658 1.00 0.00 N ATOM 969 CA PHE A 64 3.947 -4.410 -8.754 1.00 0.00 C ATOM 970 C PHE A 64 3.053 -5.126 -9.754 1.00 0.00 C ATOM 971 O PHE A 64 1.827 -5.005 -9.771 1.00 0.00 O ATOM 972 CB PHE A 64 4.120 -2.950 -9.190 1.00 0.00 C ATOM 973 CG PHE A 64 5.198 -2.151 -8.479 1.00 0.00 C ATOM 974 CD1 PHE A 64 5.351 -2.243 -7.086 1.00 0.00 C ATOM 975 CD2 PHE A 64 6.026 -1.274 -9.204 1.00 0.00 C ATOM 976 CE1 PHE A 64 6.306 -1.456 -6.419 1.00 0.00 C ATOM 977 CE2 PHE A 64 7.013 -0.526 -8.542 1.00 0.00 C ATOM 978 CZ PHE A 64 7.153 -0.609 -7.147 1.00 0.00 C ATOM 0 H PHE A 64 6.028 -4.508 -9.023 1.00 0.00 H new ATOM 0 HA PHE A 64 3.480 -4.447 -7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.335 -2.937 -10.258 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.168 -2.438 -9.050 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.730 -2.924 -6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.902 -1.176 -10.272 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.387 -1.504 -5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.669 0.118 -9.109 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.907 -0.025 -6.640 1.00 0.00 H new ATOM 988 N GLU A 65 3.722 -5.890 -10.595 1.00 0.00 N ATOM 989 CA GLU A 65 3.226 -6.693 -11.660 1.00 0.00 C ATOM 990 C GLU A 65 2.590 -8.005 -11.177 1.00 0.00 C ATOM 991 O GLU A 65 1.819 -8.604 -11.929 1.00 0.00 O ATOM 992 CB GLU A 65 4.425 -6.846 -12.599 1.00 0.00 C ATOM 993 CG GLU A 65 5.588 -7.662 -12.022 1.00 0.00 C ATOM 994 CD GLU A 65 6.651 -7.940 -13.076 1.00 0.00 C ATOM 995 OE1 GLU A 65 7.291 -6.976 -13.545 1.00 0.00 O ATOM 996 OE2 GLU A 65 6.828 -9.122 -13.449 1.00 0.00 O ATOM 0 H GLU A 65 4.737 -5.960 -10.528 1.00 0.00 H new ATOM 0 HA GLU A 65 2.387 -6.237 -12.185 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.089 -7.319 -13.522 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.791 -5.854 -12.864 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.034 -7.121 -11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.211 -8.605 -11.626 1.00 0.00 H new ATOM 1003 N THR A 66 2.851 -8.458 -9.943 1.00 0.00 N ATOM 1004 CA THR A 66 2.237 -9.688 -9.423 1.00 0.00 C ATOM 1005 C THR A 66 1.391 -9.375 -8.184 1.00 0.00 C ATOM 1006 O THR A 66 0.475 -10.141 -7.866 1.00 0.00 O ATOM 1007 CB THR A 66 3.251 -10.836 -9.194 1.00 0.00 C ATOM 1008 OG1 THR A 66 3.720 -10.911 -7.863 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.442 -10.832 -10.155 1.00 0.00 C ATOM 0 H THR A 66 3.480 -7.993 -9.288 1.00 0.00 H new ATOM 0 HA THR A 66 1.570 -10.072 -10.195 1.00 0.00 H new ATOM 0 HB THR A 66 2.663 -11.728 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.691 -11.043 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.100 -11.669 -9.922 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.083 -10.926 -11.180 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.993 -9.897 -10.048 1.00 0.00 H new ATOM 1017 N LEU A 67 1.669 -8.254 -7.508 1.00 0.00 N ATOM 1018 CA LEU A 67 0.954 -7.848 -6.307 1.00 0.00 C ATOM 1019 C LEU A 67 -0.461 -7.391 -6.641 1.00 0.00 C ATOM 1020 O LEU A 67 -0.757 -6.947 -7.754 1.00 0.00 O ATOM 1021 CB LEU A 67 1.722 -6.740 -5.572 1.00 0.00 C ATOM 1022 CG LEU A 67 3.023 -7.232 -4.909 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.820 -6.016 -4.442 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.782 -8.143 -3.706 1.00 0.00 C ATOM 0 H LEU A 67 2.403 -7.603 -7.787 1.00 0.00 H new ATOM 0 HA LEU A 67 0.881 -8.713 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.961 -5.945 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.076 -6.305 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 67 3.563 -7.816 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.745 -6.347 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.055 -5.384 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.229 -5.448 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.739 -8.453 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.212 -7.603 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.222 -9.023 -4.022 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.339 -7.488 -5.643 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.739 -7.114 -5.768 1.00 0.00 C ATOM 1038 C LYS A 68 -2.922 -5.599 -5.649 1.00 0.00 C ATOM 1039 O LYS A 68 -2.147 -4.933 -4.960 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.537 -7.856 -4.682 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.699 -9.332 -5.078 1.00 0.00 C ATOM 1042 CD LYS A 68 -3.935 -10.215 -3.849 1.00 0.00 C ATOM 1043 CE LYS A 68 -4.086 -11.702 -4.201 1.00 0.00 C ATOM 1044 NZ LYS A 68 -2.889 -12.274 -4.863 1.00 0.00 N ATOM 0 H LYS A 68 -1.091 -7.833 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.107 -7.398 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.023 -7.781 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.516 -7.393 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.536 -9.436 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.807 -9.669 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.103 -10.094 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.833 -9.876 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.292 -12.264 -3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.949 -11.827 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.015 -13.299 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.762 -11.830 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.049 -12.094 -4.277 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.997 -5.048 -6.239 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.297 -3.620 -6.188 1.00 0.00 C ATOM 1060 C PRO A 69 -4.470 -3.118 -4.755 1.00 0.00 C ATOM 1061 O PRO A 69 -4.051 -2.007 -4.432 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.541 -3.424 -7.060 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.163 -4.813 -7.142 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.967 -5.744 -7.068 1.00 0.00 C ATOM 0 HA PRO A 69 -3.471 -3.021 -6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.229 -2.705 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.279 -3.046 -8.048 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.860 -4.989 -6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.720 -4.949 -8.069 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.241 -6.705 -6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.564 -5.948 -8.060 1.00 0.00 H new ATOM 1072 N SER A 70 -5.055 -3.938 -3.885 1.00 0.00 N ATOM 1073 CA SER A 70 -5.279 -3.605 -2.491 1.00 0.00 C ATOM 1074 C SER A 70 -3.949 -3.363 -1.764 1.00 0.00 C ATOM 1075 O SER A 70 -3.825 -2.418 -0.988 1.00 0.00 O ATOM 1076 CB SER A 70 -6.101 -4.731 -1.830 1.00 0.00 C ATOM 1077 OG SER A 70 -6.099 -5.938 -2.598 1.00 0.00 O ATOM 0 H SER A 70 -5.390 -4.867 -4.139 1.00 0.00 H new ATOM 0 HA SER A 70 -5.845 -2.676 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.698 -4.935 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.128 -4.393 -1.693 1.00 0.00 H new ATOM 0 HG SER A 70 -6.794 -5.888 -3.287 1.00 0.00 H new ATOM 1083 N THR A 71 -2.937 -4.189 -2.046 1.00 0.00 N ATOM 1084 CA THR A 71 -1.617 -4.093 -1.442 1.00 0.00 C ATOM 1085 C THR A 71 -1.004 -2.735 -1.768 1.00 0.00 C ATOM 1086 O THR A 71 -0.511 -2.040 -0.875 1.00 0.00 O ATOM 1087 CB THR A 71 -0.757 -5.263 -1.963 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.482 -6.466 -1.772 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.611 -5.347 -1.274 1.00 0.00 C ATOM 0 H THR A 71 -3.020 -4.955 -2.714 1.00 0.00 H new ATOM 0 HA THR A 71 -1.675 -4.167 -0.356 1.00 0.00 H new ATOM 0 HB THR A 71 -0.554 -5.097 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.952 -7.223 -2.099 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.172 -6.188 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.164 -4.424 -1.449 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.471 -5.488 -0.202 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.073 -2.342 -3.043 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.531 -1.077 -3.509 1.00 0.00 C ATOM 1099 C LEU A 72 -1.239 0.077 -2.802 1.00 0.00 C ATOM 1100 O LEU A 72 -0.577 1.018 -2.389 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.651 -0.938 -5.029 1.00 0.00 C ATOM 1102 CG LEU A 72 0.002 -2.075 -5.824 1.00 0.00 C ATOM 1103 CD1 LEU A 72 -0.551 -2.128 -7.245 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.520 -1.935 -5.875 1.00 0.00 C ATOM 0 H LEU A 72 -1.509 -2.899 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 72 0.531 -1.049 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.707 -0.886 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.199 0.007 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.238 -3.003 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.074 -2.942 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.627 -2.296 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.347 -1.184 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.943 -2.761 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.782 -0.991 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.921 -1.953 -4.862 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.566 0.019 -2.613 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.299 1.089 -1.928 1.00 0.00 C ATOM 1118 C ARG A 73 -2.798 1.272 -0.494 1.00 0.00 C ATOM 1119 O ARG A 73 -2.798 2.394 0.012 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.817 0.828 -1.963 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.553 1.658 -3.023 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.617 3.151 -2.670 1.00 0.00 C ATOM 1123 NE ARG A 73 -6.554 3.877 -3.547 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.267 4.958 -3.199 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -7.095 5.517 -2.009 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.161 5.476 -4.031 1.00 0.00 N ATOM 0 H ARG A 73 -3.150 -0.757 -2.925 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.110 2.020 -2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.992 -0.231 -2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.239 1.048 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.053 1.538 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.566 1.273 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.926 3.267 -1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.623 3.589 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.670 3.528 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.418 5.125 -1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.639 6.339 -1.748 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.312 5.052 -4.946 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.698 6.299 -3.755 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.394 0.200 0.191 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.873 0.314 1.546 1.00 0.00 C ATOM 1142 C GLU A 74 -0.480 0.942 1.512 1.00 0.00 C ATOM 1143 O GLU A 74 -0.165 1.782 2.359 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.822 -1.060 2.234 1.00 0.00 C ATOM 1145 CG GLU A 74 -3.090 -1.321 3.053 1.00 0.00 C ATOM 1146 CD GLU A 74 -4.066 -2.318 2.452 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -3.656 -3.481 2.280 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -5.279 -2.004 2.353 1.00 0.00 O ATOM 0 H GLU A 74 -2.419 -0.752 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.542 0.954 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.705 -1.841 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.949 -1.111 2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.796 -1.677 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.609 -0.373 3.197 1.00 0.00 H new ATOM 1155 N LEU A 75 0.356 0.529 0.559 1.00 0.00 N ATOM 1156 CA LEU A 75 1.713 1.033 0.378 1.00 0.00 C ATOM 1157 C LEU A 75 1.651 2.529 0.057 1.00 0.00 C ATOM 1158 O LEU A 75 2.387 3.312 0.660 1.00 0.00 O ATOM 1159 CB LEU A 75 2.388 0.254 -0.752 1.00 0.00 C ATOM 1160 CG LEU A 75 2.789 -1.182 -0.375 1.00 0.00 C ATOM 1161 CD1 LEU A 75 2.851 -2.039 -1.631 1.00 0.00 C ATOM 1162 CD2 LEU A 75 4.180 -1.209 0.247 1.00 0.00 C ATOM 0 H LEU A 75 0.099 -0.183 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 75 2.297 0.898 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.713 0.218 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.278 0.796 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 75 2.050 -1.559 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.135 -3.057 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.873 -2.050 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.589 -1.625 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.443 -2.235 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.905 -0.817 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.188 -0.594 1.147 1.00 0.00 H new ATOM 1174 N GLU A 76 0.748 2.933 -0.837 1.00 0.00 N ATOM 1175 CA GLU A 76 0.517 4.313 -1.248 1.00 0.00 C ATOM 1176 C GLU A 76 0.166 5.181 -0.037 1.00 0.00 C ATOM 1177 O GLU A 76 0.625 6.318 0.072 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.560 4.351 -2.346 1.00 0.00 C ATOM 1179 CG GLU A 76 -0.845 5.795 -2.781 1.00 0.00 C ATOM 1180 CD GLU A 76 -1.482 5.931 -4.165 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -2.163 5.018 -4.666 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -1.238 6.996 -4.790 1.00 0.00 O ATOM 0 H GLU A 76 0.131 2.275 -1.314 1.00 0.00 H new ATOM 0 HA GLU A 76 1.429 4.732 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.231 3.766 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.477 3.890 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.503 6.258 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.090 6.355 -2.770 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.616 4.652 0.905 1.00 0.00 N ATOM 1190 CA ARG A 77 -0.990 5.384 2.099 1.00 0.00 C ATOM 1191 C ARG A 77 0.239 5.643 2.956 1.00 0.00 C ATOM 1192 O ARG A 77 0.379 6.728 3.508 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.065 4.597 2.853 1.00 0.00 C ATOM 1194 CG ARG A 77 -2.847 5.524 3.780 1.00 0.00 C ATOM 1195 CD ARG A 77 -3.983 4.752 4.453 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.700 5.551 5.462 1.00 0.00 N ATOM 1197 CZ ARG A 77 -5.652 5.064 6.269 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -6.000 3.778 6.183 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -6.242 5.857 7.162 1.00 0.00 N ATOM 0 H ARG A 77 -1.002 3.709 0.856 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.407 6.355 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.744 4.124 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.602 3.798 3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.182 5.942 4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.252 6.362 3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.689 4.418 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.577 3.858 4.926 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.456 6.537 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.541 3.170 5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.724 3.404 6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.969 6.837 7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.967 5.484 7.775 1.00 0.00 H new ATOM 1213 N TYR A 78 1.124 4.655 3.080 1.00 0.00 N ATOM 1214 CA TYR A 78 2.330 4.779 3.881 1.00 0.00 C ATOM 1215 C TYR A 78 3.198 5.927 3.367 1.00 0.00 C ATOM 1216 O TYR A 78 3.568 6.786 4.170 1.00 0.00 O ATOM 1217 CB TYR A 78 3.087 3.444 3.953 1.00 0.00 C ATOM 1218 CG TYR A 78 4.421 3.514 4.678 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.464 3.598 6.082 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.624 3.500 3.945 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.702 3.657 6.748 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.863 3.574 4.603 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.905 3.656 6.010 1.00 0.00 C ATOM 1224 OH TYR A 78 8.095 3.790 6.658 1.00 0.00 O ATOM 0 H TYR A 78 1.020 3.748 2.626 1.00 0.00 H new ATOM 0 HA TYR A 78 2.049 5.026 4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.455 2.709 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.257 3.082 2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.545 3.617 6.649 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.593 3.432 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.732 3.703 7.827 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.780 3.568 4.033 1.00 0.00 H new ATOM 0 HH TYR A 78 8.826 3.544 6.054 1.00 0.00 H new ATOM 1234 N VAL A 79 3.500 5.980 2.063 1.00 0.00 N ATOM 1235 CA VAL A 79 4.332 7.032 1.496 1.00 0.00 C ATOM 1236 C VAL A 79 3.653 8.394 1.556 1.00 0.00 C ATOM 1237 O VAL A 79 4.239 9.347 2.072 1.00 0.00 O ATOM 1238 CB VAL A 79 4.779 6.688 0.056 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.590 5.392 0.058 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.676 6.515 -0.994 1.00 0.00 C ATOM 0 H VAL A 79 3.173 5.296 1.381 1.00 0.00 H new ATOM 0 HA VAL A 79 5.228 7.094 2.114 1.00 0.00 H new ATOM 0 HB VAL A 79 5.350 7.569 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.901 5.156 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.471 5.515 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.977 4.579 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.125 6.277 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.011 5.705 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.106 7.440 -1.078 1.00 0.00 H new ATOM 1250 N THR A 80 2.402 8.492 1.118 1.00 0.00 N ATOM 1251 CA THR A 80 1.684 9.756 1.093 1.00 0.00 C ATOM 1252 C THR A 80 1.429 10.328 2.499 1.00 0.00 C ATOM 1253 O THR A 80 1.231 11.531 2.644 1.00 0.00 O ATOM 1254 CB THR A 80 0.491 9.574 0.147 1.00 0.00 C ATOM 1255 OG1 THR A 80 1.053 9.351 -1.138 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.407 10.793 0.068 1.00 0.00 C ATOM 0 H THR A 80 1.861 7.699 0.772 1.00 0.00 H new ATOM 0 HA THR A 80 2.278 10.570 0.679 1.00 0.00 H new ATOM 0 HB THR A 80 -0.130 8.756 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.334 9.225 -1.792 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.230 10.595 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.806 11.016 1.058 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.168 11.646 -0.292 1.00 0.00 H new ATOM 1264 N SER A 81 1.423 9.494 3.542 1.00 0.00 N ATOM 1265 CA SER A 81 1.258 9.929 4.927 1.00 0.00 C ATOM 1266 C SER A 81 2.635 10.143 5.590 1.00 0.00 C ATOM 1267 O SER A 81 2.707 10.585 6.737 1.00 0.00 O ATOM 1268 CB SER A 81 0.375 8.952 5.704 1.00 0.00 C ATOM 1269 OG SER A 81 -0.930 8.970 5.159 1.00 0.00 O ATOM 0 H SER A 81 1.534 8.485 3.445 1.00 0.00 H new ATOM 0 HA SER A 81 0.743 10.890 4.939 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.791 7.946 5.650 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.346 9.229 6.758 1.00 0.00 H new ATOM 0 HG SER A 81 -1.005 8.281 4.467 1.00 0.00 H new ATOM 1275 N CYS A 82 3.735 9.720 4.948 1.00 0.00 N ATOM 1276 CA CYS A 82 5.101 9.873 5.439 1.00 0.00 C ATOM 1277 C CYS A 82 5.629 11.210 4.924 1.00 0.00 C ATOM 1278 O CYS A 82 6.038 12.074 5.699 1.00 0.00 O ATOM 1279 CB CYS A 82 5.968 8.705 4.929 1.00 0.00 C ATOM 1280 SG CYS A 82 7.719 8.936 5.359 1.00 0.00 S ATOM 0 H CYS A 82 3.690 9.248 4.045 1.00 0.00 H new ATOM 0 HA CYS A 82 5.131 9.859 6.528 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.608 7.769 5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.866 8.621 3.847 1.00 0.00 H new ATOM 0 HG CYS A 82 8.333 7.791 5.308 1.00 0.00 H new ATOM 1286 N LEU A 83 5.593 11.385 3.604 1.00 0.00 N ATOM 1287 CA LEU A 83 6.058 12.570 2.901 1.00 0.00 C ATOM 1288 C LEU A 83 5.106 13.751 3.054 1.00 0.00 C ATOM 1289 O LEU A 83 5.502 14.892 2.825 1.00 0.00 O ATOM 1290 CB LEU A 83 6.151 12.250 1.398 1.00 0.00 C ATOM 1291 CG LEU A 83 6.987 11.011 1.035 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.841 10.737 -0.463 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.464 11.189 1.399 1.00 0.00 C ATOM 0 H LEU A 83 5.223 10.674 2.973 1.00 0.00 H new ATOM 0 HA LEU A 83 7.023 12.841 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.142 12.112 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.573 13.114 0.886 1.00 0.00 H new ATOM 0 HG LEU A 83 6.616 10.164 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.430 9.860 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.792 10.556 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.196 11.599 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.017 10.290 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.871 12.044 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.556 11.359 2.472 1.00 0.00 H new