USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 381 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 38 THR OG1 : rot 149:sc= 1.13 USER MOD Set 1.2: A 40 CYS SG : rot 106:sc= 1.92 USER MOD Set 1.3: A 42 HIS : no HD1:sc= -0.454 K(o=1.7,f=-0.35) USER MOD Set 1.4: A 59 CYS SG : rot 152:sc= 0.487 USER MOD Set 1.5: A 62 CYS SG : rot -47:sc= -1.4 USER MOD Set 2.1: A 18 CYS SG : rot 121:sc= 0.384 USER MOD Set 2.2: A 21 CYS SG : rot -55:sc= 0.792 USER MOD Set 2.3: A 45 CYS SG : rot 85:sc= 0.714 USER MOD Set 2.4: A 48 CYS SG : rot 138:sc= -0.262 USER MOD Single : A 17 SER OG : rot 36:sc= 0.503 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.445 K(o=-0.45,f=-2.5) USER MOD Single : A 31 ASN : amide:sc= -0.6 K(o=-0.6,f=-3.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0334 K(o=-0.033,f=-2.2!) USER MOD Single : A 52 SER OG : rot -90:sc= -0.0156 USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0592) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -0.0394 (180deg=-0.32) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 16 -3.935 -10.681 2.844 1.00 0.00 N ATOM 177 CA VAL A 16 -3.566 -9.343 3.290 1.00 0.00 C ATOM 178 C VAL A 16 -4.332 -8.954 4.550 1.00 0.00 C ATOM 179 O VAL A 16 -5.251 -9.655 4.971 1.00 0.00 O ATOM 180 CB VAL A 16 -3.831 -8.293 2.196 1.00 0.00 C ATOM 181 CG1 VAL A 16 -3.085 -8.651 0.919 1.00 0.00 C ATOM 182 CG2 VAL A 16 -5.323 -8.164 1.932 1.00 0.00 C ATOM 0 HA VAL A 16 -2.498 -9.365 3.509 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.462 -7.329 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.285 -7.897 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.015 -8.688 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.421 -9.625 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.492 -7.417 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.719 -9.125 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.829 -7.857 2.847 1.00 0.00 H new ATOM 192 N SER A 17 -3.947 -7.830 5.146 1.00 0.00 N ATOM 193 CA SER A 17 -4.596 -7.347 6.359 1.00 0.00 C ATOM 194 C SER A 17 -4.053 -5.978 6.758 1.00 0.00 C ATOM 195 O SER A 17 -2.869 -5.830 7.059 1.00 0.00 O ATOM 196 CB SER A 17 -4.389 -8.343 7.503 1.00 0.00 C ATOM 197 OG SER A 17 -3.012 -8.509 7.792 1.00 0.00 O ATOM 0 H SER A 17 -3.189 -7.237 4.809 1.00 0.00 H new ATOM 0 HA SER A 17 -5.663 -7.251 6.157 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.911 -7.992 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.826 -9.305 7.235 1.00 0.00 H new ATOM 0 HG SER A 17 -2.549 -7.653 7.680 1.00 0.00 H new ATOM 203 N CYS A 18 -4.929 -4.979 6.757 1.00 0.00 N ATOM 204 CA CYS A 18 -4.541 -3.621 7.117 1.00 0.00 C ATOM 205 C CYS A 18 -4.643 -3.408 8.625 1.00 0.00 C ATOM 206 O CYS A 18 -5.710 -3.537 9.224 1.00 0.00 O ATOM 207 CB CYS A 18 -5.422 -2.605 6.387 1.00 0.00 C ATOM 208 SG CYS A 18 -5.150 -0.879 6.901 1.00 0.00 S ATOM 0 H CYS A 18 -5.913 -5.085 6.511 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.504 -3.475 6.816 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.240 -2.687 5.315 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.468 -2.862 6.553 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.788 -0.172 5.872 1.00 0.00 H new ATOM 213 N PRO A 19 -3.506 -3.072 9.253 1.00 0.00 N ATOM 214 CA PRO A 19 -3.441 -2.833 10.698 1.00 0.00 C ATOM 215 C PRO A 19 -4.160 -1.552 11.106 1.00 0.00 C ATOM 216 O PRO A 19 -4.524 -1.377 12.269 1.00 0.00 O ATOM 217 CB PRO A 19 -1.940 -2.714 10.970 1.00 0.00 C ATOM 218 CG PRO A 19 -1.354 -2.270 9.674 1.00 0.00 C ATOM 219 CD PRO A 19 -2.197 -2.900 8.601 1.00 0.00 C ATOM 0 HA PRO A 19 -3.929 -3.626 11.265 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.737 -1.994 11.763 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.519 -3.667 11.289 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.366 -1.183 9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.314 -2.584 9.588 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.268 -2.263 7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.783 -3.853 8.273 1.00 0.00 H new ATOM 227 N ILE A 20 -4.362 -0.659 10.143 1.00 0.00 N ATOM 228 CA ILE A 20 -5.039 0.605 10.403 1.00 0.00 C ATOM 229 C ILE A 20 -6.517 0.385 10.707 1.00 0.00 C ATOM 230 O ILE A 20 -6.965 0.578 11.838 1.00 0.00 O ATOM 231 CB ILE A 20 -4.911 1.569 9.208 1.00 0.00 C ATOM 232 CG1 ILE A 20 -3.461 1.621 8.720 1.00 0.00 C ATOM 233 CG2 ILE A 20 -5.395 2.958 9.594 1.00 0.00 C ATOM 234 CD1 ILE A 20 -2.503 2.207 9.734 1.00 0.00 C ATOM 0 H ILE A 20 -4.066 -0.788 9.175 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.554 1.049 11.272 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.536 1.201 8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.135 0.612 8.465 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.415 2.212 7.805 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.298 3.628 8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.440 2.907 9.899 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.794 3.336 10.421 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.494 2.213 9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.804 3.227 9.971 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.520 1.604 10.642 1.00 0.00 H new ATOM 246 N CYS A 21 -7.270 -0.023 9.692 1.00 0.00 N ATOM 247 CA CYS A 21 -8.698 -0.272 9.849 1.00 0.00 C ATOM 248 C CYS A 21 -8.946 -1.649 10.457 1.00 0.00 C ATOM 249 O CYS A 21 -9.925 -1.855 11.174 1.00 0.00 O ATOM 250 CB CYS A 21 -9.408 -0.163 8.498 1.00 0.00 C ATOM 251 SG CYS A 21 -8.717 -1.244 7.206 1.00 0.00 S ATOM 0 H CYS A 21 -6.915 -0.189 8.750 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.101 0.482 10.525 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.462 -0.404 8.633 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.359 0.871 8.156 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.444 -1.010 7.079 1.00 0.00 H new ATOM 256 N MET A 22 -8.052 -2.588 10.166 1.00 0.00 N ATOM 257 CA MET A 22 -8.173 -3.945 10.686 1.00 0.00 C ATOM 258 C MET A 22 -9.505 -4.567 10.277 1.00 0.00 C ATOM 259 O MET A 22 -10.226 -5.116 11.110 1.00 0.00 O ATOM 260 CB MET A 22 -8.044 -3.944 12.210 1.00 0.00 C ATOM 261 CG MET A 22 -6.605 -4.000 12.698 1.00 0.00 C ATOM 262 SD MET A 22 -6.485 -4.273 14.476 1.00 0.00 S ATOM 263 CE MET A 22 -5.781 -2.716 15.011 1.00 0.00 C ATOM 0 H MET A 22 -7.236 -2.434 9.573 1.00 0.00 H new ATOM 0 HA MET A 22 -7.367 -4.543 10.261 1.00 0.00 H new ATOM 0 HB2 MET A 22 -8.519 -3.046 12.606 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.589 -4.797 12.613 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.079 -4.799 12.175 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.102 -3.067 12.443 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.646 -2.730 16.093 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.816 -2.568 14.527 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.452 -1.901 14.740 1.00 0.00 H new ATOM 273 N ASP A 23 -9.825 -4.476 8.991 1.00 0.00 N ATOM 274 CA ASP A 23 -11.070 -5.030 8.472 1.00 0.00 C ATOM 275 C ASP A 23 -10.797 -6.231 7.571 1.00 0.00 C ATOM 276 O ASP A 23 -11.028 -7.376 7.958 1.00 0.00 O ATOM 277 CB ASP A 23 -11.845 -3.963 7.698 1.00 0.00 C ATOM 278 CG ASP A 23 -12.608 -3.024 8.613 1.00 0.00 C ATOM 279 OD1 ASP A 23 -13.617 -3.462 9.204 1.00 0.00 O ATOM 280 OD2 ASP A 23 -12.196 -1.851 8.737 1.00 0.00 O ATOM 0 H ASP A 23 -9.240 -4.024 8.289 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.671 -5.362 9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.151 -3.386 7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.543 -4.448 7.016 1.00 0.00 H new ATOM 285 N GLY A 24 -10.303 -5.960 6.366 1.00 0.00 N ATOM 286 CA GLY A 24 -10.008 -7.028 5.429 1.00 0.00 C ATOM 287 C GLY A 24 -10.026 -6.556 3.989 1.00 0.00 C ATOM 288 O GLY A 24 -10.698 -5.579 3.656 1.00 0.00 O ATOM 0 H GLY A 24 -10.102 -5.021 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.029 -7.448 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.736 -7.829 5.555 1.00 0.00 H new ATOM 292 N TYR A 25 -9.286 -7.250 3.131 1.00 0.00 N ATOM 293 CA TYR A 25 -9.217 -6.894 1.719 1.00 0.00 C ATOM 294 C TYR A 25 -10.592 -6.498 1.189 1.00 0.00 C ATOM 295 O TYR A 25 -10.834 -5.334 0.869 1.00 0.00 O ATOM 296 CB TYR A 25 -8.661 -8.063 0.903 1.00 0.00 C ATOM 297 CG TYR A 25 -8.406 -7.722 -0.547 1.00 0.00 C ATOM 298 CD1 TYR A 25 -9.455 -7.412 -1.404 1.00 0.00 C ATOM 299 CD2 TYR A 25 -7.115 -7.709 -1.061 1.00 0.00 C ATOM 300 CE1 TYR A 25 -9.226 -7.100 -2.730 1.00 0.00 C ATOM 301 CE2 TYR A 25 -6.877 -7.397 -2.386 1.00 0.00 C ATOM 302 CZ TYR A 25 -7.935 -7.094 -3.216 1.00 0.00 C ATOM 303 OH TYR A 25 -7.703 -6.783 -4.537 1.00 0.00 O ATOM 0 H TYR A 25 -8.726 -8.062 3.389 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.549 -6.039 1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.730 -8.402 1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.362 -8.896 0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.467 -7.415 -1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.284 -7.947 -0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.053 -6.862 -3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.867 -7.391 -2.769 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.741 -6.823 -4.718 1.00 0.00 H new ATOM 313 N SER A 26 -11.488 -7.475 1.099 1.00 0.00 N ATOM 314 CA SER A 26 -12.839 -7.231 0.606 1.00 0.00 C ATOM 315 C SER A 26 -13.459 -6.020 1.296 1.00 0.00 C ATOM 316 O SER A 26 -13.824 -5.041 0.646 1.00 0.00 O ATOM 317 CB SER A 26 -13.716 -8.464 0.828 1.00 0.00 C ATOM 318 OG SER A 26 -15.053 -8.217 0.426 1.00 0.00 O ATOM 0 H SER A 26 -11.303 -8.443 1.361 1.00 0.00 H new ATOM 0 HA SER A 26 -12.778 -7.026 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.313 -9.307 0.266 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.695 -8.744 1.881 1.00 0.00 H new ATOM 0 HG SER A 26 -15.593 -9.021 0.576 1.00 0.00 H new ATOM 324 N GLU A 27 -13.574 -6.095 2.618 1.00 0.00 N ATOM 325 CA GLU A 27 -14.151 -5.006 3.398 1.00 0.00 C ATOM 326 C GLU A 27 -13.601 -3.658 2.938 1.00 0.00 C ATOM 327 O GLU A 27 -14.303 -2.647 2.970 1.00 0.00 O ATOM 328 CB GLU A 27 -13.862 -5.206 4.887 1.00 0.00 C ATOM 329 CG GLU A 27 -14.854 -4.503 5.799 1.00 0.00 C ATOM 330 CD GLU A 27 -14.860 -2.999 5.604 1.00 0.00 C ATOM 331 OE1 GLU A 27 -13.923 -2.333 6.091 1.00 0.00 O ATOM 332 OE2 GLU A 27 -15.804 -2.489 4.964 1.00 0.00 O ATOM 0 H GLU A 27 -13.275 -6.898 3.171 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.230 -5.012 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.869 -6.273 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.858 -4.841 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.854 -4.894 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.612 -4.730 6.837 1.00 0.00 H new ATOM 339 N ILE A 28 -12.342 -3.653 2.513 1.00 0.00 N ATOM 340 CA ILE A 28 -11.699 -2.431 2.048 1.00 0.00 C ATOM 341 C ILE A 28 -12.178 -2.056 0.649 1.00 0.00 C ATOM 342 O ILE A 28 -12.446 -0.888 0.366 1.00 0.00 O ATOM 343 CB ILE A 28 -10.165 -2.573 2.031 1.00 0.00 C ATOM 344 CG1 ILE A 28 -9.645 -2.882 3.437 1.00 0.00 C ATOM 345 CG2 ILE A 28 -9.522 -1.306 1.489 1.00 0.00 C ATOM 346 CD1 ILE A 28 -8.383 -3.716 3.444 1.00 0.00 C ATOM 0 H ILE A 28 -11.748 -4.481 2.481 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.976 -1.643 2.748 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.898 -3.401 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.454 -1.945 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.421 -3.406 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.438 -1.422 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.873 -1.126 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.793 -0.461 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.072 -3.896 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.574 -4.669 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.593 -3.185 2.914 1.00 0.00 H new ATOM 358 N VAL A 29 -12.286 -3.055 -0.221 1.00 0.00 N ATOM 359 CA VAL A 29 -12.736 -2.831 -1.590 1.00 0.00 C ATOM 360 C VAL A 29 -14.252 -2.952 -1.696 1.00 0.00 C ATOM 361 O VAL A 29 -14.792 -3.167 -2.781 1.00 0.00 O ATOM 362 CB VAL A 29 -12.083 -3.827 -2.566 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.602 -3.521 -2.730 1.00 0.00 C ATOM 364 CG2 VAL A 29 -12.291 -5.256 -2.086 1.00 0.00 C ATOM 0 H VAL A 29 -12.068 -4.027 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.435 -1.819 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.561 -3.722 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.158 -4.235 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.480 -2.511 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.105 -3.597 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.823 -5.947 -2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.840 -5.378 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.359 -5.468 -2.025 1.00 0.00 H new ATOM 374 N GLN A 30 -14.933 -2.811 -0.563 1.00 0.00 N ATOM 375 CA GLN A 30 -16.387 -2.905 -0.529 1.00 0.00 C ATOM 376 C GLN A 30 -17.018 -1.526 -0.368 1.00 0.00 C ATOM 377 O GLN A 30 -17.549 -1.196 0.692 1.00 0.00 O ATOM 378 CB GLN A 30 -16.834 -3.820 0.612 1.00 0.00 C ATOM 379 CG GLN A 30 -16.943 -5.283 0.212 1.00 0.00 C ATOM 380 CD GLN A 30 -18.041 -5.529 -0.805 1.00 0.00 C ATOM 381 OE1 GLN A 30 -18.734 -4.602 -1.225 1.00 0.00 O ATOM 382 NE2 GLN A 30 -18.204 -6.784 -1.207 1.00 0.00 N ATOM 0 H GLN A 30 -14.501 -2.631 0.343 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.720 -3.329 -1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.128 -3.729 1.437 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -17.801 -3.480 0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.990 -5.615 -0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.134 -5.885 1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.607 -7.521 -0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -18.926 -7.011 -1.890 1.00 0.00 H new ATOM 391 N ASN A 31 -16.956 -0.724 -1.426 1.00 0.00 N ATOM 392 CA ASN A 31 -17.520 0.620 -1.401 1.00 0.00 C ATOM 393 C ASN A 31 -16.783 1.501 -0.396 1.00 0.00 C ATOM 394 O ASN A 31 -17.390 2.331 0.280 1.00 0.00 O ATOM 395 CB ASN A 31 -19.009 0.564 -1.051 1.00 0.00 C ATOM 396 CG ASN A 31 -19.779 -0.383 -1.952 1.00 0.00 C ATOM 397 OD1 ASN A 31 -19.193 -1.099 -2.764 1.00 0.00 O ATOM 398 ND2 ASN A 31 -21.099 -0.390 -1.811 1.00 0.00 N ATOM 0 H ASN A 31 -16.521 -0.982 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 31 -17.402 1.055 -2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -19.124 0.249 -0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -19.436 1.564 -1.130 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.670 -1.006 -2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -21.542 0.221 -1.125 1.00 0.00 H new ATOM 405 N GLY A 32 -15.470 1.314 -0.304 1.00 0.00 N ATOM 406 CA GLY A 32 -14.672 2.098 0.619 1.00 0.00 C ATOM 407 C GLY A 32 -13.400 2.624 -0.016 1.00 0.00 C ATOM 408 O GLY A 32 -13.411 3.667 -0.671 1.00 0.00 O ATOM 0 H GLY A 32 -14.945 0.633 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.265 2.936 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.416 1.486 1.484 1.00 0.00 H new ATOM 412 N ARG A 33 -12.301 1.903 0.178 1.00 0.00 N ATOM 413 CA ARG A 33 -11.015 2.305 -0.378 1.00 0.00 C ATOM 414 C ARG A 33 -10.439 1.205 -1.265 1.00 0.00 C ATOM 415 O ARG A 33 -11.081 0.180 -1.499 1.00 0.00 O ATOM 416 CB ARG A 33 -10.031 2.637 0.745 1.00 0.00 C ATOM 417 CG ARG A 33 -10.459 3.819 1.600 1.00 0.00 C ATOM 418 CD ARG A 33 -11.251 3.367 2.817 1.00 0.00 C ATOM 419 NE ARG A 33 -12.003 4.465 3.419 1.00 0.00 N ATOM 420 CZ ARG A 33 -12.769 4.328 4.495 1.00 0.00 C ATOM 421 NH1 ARG A 33 -12.884 3.146 5.085 1.00 0.00 N ATOM 422 NH2 ARG A 33 -13.422 5.375 4.984 1.00 0.00 N ATOM 0 H ARG A 33 -12.275 1.037 0.716 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.173 3.195 -0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.913 1.762 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.054 2.849 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.578 4.374 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.064 4.501 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.939 2.572 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.570 2.945 3.557 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.936 5.388 2.989 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.383 2.339 4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.473 3.044 5.911 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.336 6.286 4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.010 5.269 5.811 1.00 0.00 H new ATOM 436 N LEU A 34 -9.224 1.424 -1.757 1.00 0.00 N ATOM 437 CA LEU A 34 -8.560 0.452 -2.619 1.00 0.00 C ATOM 438 C LEU A 34 -7.399 -0.218 -1.891 1.00 0.00 C ATOM 439 O LEU A 34 -6.966 0.246 -0.836 1.00 0.00 O ATOM 440 CB LEU A 34 -8.055 1.132 -3.892 1.00 0.00 C ATOM 441 CG LEU A 34 -8.023 0.262 -5.150 1.00 0.00 C ATOM 442 CD1 LEU A 34 -8.234 1.113 -6.393 1.00 0.00 C ATOM 443 CD2 LEU A 34 -6.708 -0.498 -5.239 1.00 0.00 C ATOM 0 H LEU A 34 -8.679 2.266 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.286 -0.315 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.684 2.000 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.048 1.504 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.835 -0.462 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.208 0.477 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.201 1.612 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.444 1.861 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.703 -1.112 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.880 0.210 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.598 -1.138 -4.363 1.00 0.00 H new ATOM 455 N ILE A 35 -6.900 -1.308 -2.462 1.00 0.00 N ATOM 456 CA ILE A 35 -5.787 -2.039 -1.870 1.00 0.00 C ATOM 457 C ILE A 35 -4.451 -1.534 -2.403 1.00 0.00 C ATOM 458 O ILE A 35 -4.125 -1.726 -3.575 1.00 0.00 O ATOM 459 CB ILE A 35 -5.897 -3.551 -2.143 1.00 0.00 C ATOM 460 CG1 ILE A 35 -7.216 -4.096 -1.591 1.00 0.00 C ATOM 461 CG2 ILE A 35 -4.715 -4.287 -1.530 1.00 0.00 C ATOM 462 CD1 ILE A 35 -7.222 -4.253 -0.086 1.00 0.00 C ATOM 0 H ILE A 35 -7.249 -1.705 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.834 -1.868 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.881 -3.713 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.026 -3.427 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.421 -5.063 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.807 -5.354 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.788 -3.914 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.702 -4.121 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.188 -4.643 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.434 -4.945 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.049 -3.284 0.382 1.00 0.00 H new ATOM 474 N VAL A 36 -3.679 -0.887 -1.535 1.00 0.00 N ATOM 475 CA VAL A 36 -2.376 -0.356 -1.918 1.00 0.00 C ATOM 476 C VAL A 36 -1.253 -1.067 -1.172 1.00 0.00 C ATOM 477 O VAL A 36 -1.493 -1.770 -0.190 1.00 0.00 O ATOM 478 CB VAL A 36 -2.284 1.156 -1.643 1.00 0.00 C ATOM 479 CG1 VAL A 36 -3.228 1.924 -2.555 1.00 0.00 C ATOM 480 CG2 VAL A 36 -2.585 1.451 -0.181 1.00 0.00 C ATOM 0 H VAL A 36 -3.934 -0.718 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.264 -0.530 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.266 1.484 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.149 2.991 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.961 1.738 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.252 1.595 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.515 2.524 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.591 1.108 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.864 0.932 0.451 1.00 0.00 H new ATOM 490 N SER A 37 -0.025 -0.878 -1.643 1.00 0.00 N ATOM 491 CA SER A 37 1.137 -1.504 -1.023 1.00 0.00 C ATOM 492 C SER A 37 2.264 -0.493 -0.835 1.00 0.00 C ATOM 493 O SER A 37 2.222 0.611 -1.381 1.00 0.00 O ATOM 494 CB SER A 37 1.626 -2.678 -1.874 1.00 0.00 C ATOM 495 OG SER A 37 1.829 -2.282 -3.220 1.00 0.00 O ATOM 0 H SER A 37 0.191 -0.296 -2.452 1.00 0.00 H new ATOM 0 HA SER A 37 0.838 -1.875 -0.043 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.557 -3.067 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.897 -3.488 -1.836 1.00 0.00 H new ATOM 0 HG SER A 37 2.143 -3.049 -3.743 1.00 0.00 H new ATOM 501 N THR A 38 3.272 -0.877 -0.059 1.00 0.00 N ATOM 502 CA THR A 38 4.410 -0.005 0.203 1.00 0.00 C ATOM 503 C THR A 38 5.717 -0.662 -0.227 1.00 0.00 C ATOM 504 O THR A 38 5.746 -1.847 -0.557 1.00 0.00 O ATOM 505 CB THR A 38 4.503 0.366 1.695 1.00 0.00 C ATOM 506 OG1 THR A 38 4.503 -0.822 2.496 1.00 0.00 O ATOM 507 CG2 THR A 38 3.341 1.259 2.104 1.00 0.00 C ATOM 0 H THR A 38 3.324 -1.787 0.399 1.00 0.00 H new ATOM 0 HA THR A 38 4.253 0.902 -0.380 1.00 0.00 H new ATOM 0 HB THR A 38 5.433 0.911 1.854 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.028 -0.668 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.428 1.508 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.360 2.175 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.401 0.735 1.931 1.00 0.00 H new ATOM 515 N GLU A 39 6.795 0.116 -0.221 1.00 0.00 N ATOM 516 CA GLU A 39 8.105 -0.392 -0.612 1.00 0.00 C ATOM 517 C GLU A 39 8.799 -1.070 0.566 1.00 0.00 C ATOM 518 O GLU A 39 9.719 -1.867 0.384 1.00 0.00 O ATOM 519 CB GLU A 39 8.978 0.744 -1.148 1.00 0.00 C ATOM 520 CG GLU A 39 9.043 1.949 -0.225 1.00 0.00 C ATOM 521 CD GLU A 39 10.053 2.983 -0.685 1.00 0.00 C ATOM 522 OE1 GLU A 39 10.356 3.019 -1.896 1.00 0.00 O ATOM 523 OE2 GLU A 39 10.540 3.755 0.167 1.00 0.00 O ATOM 0 H GLU A 39 6.787 1.099 0.050 1.00 0.00 H new ATOM 0 HA GLU A 39 7.960 -1.131 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.988 0.368 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.593 1.060 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.057 2.411 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.300 1.618 0.781 1.00 0.00 H new ATOM 530 N CYS A 40 8.351 -0.746 1.775 1.00 0.00 N ATOM 531 CA CYS A 40 8.928 -1.321 2.984 1.00 0.00 C ATOM 532 C CYS A 40 8.618 -2.812 3.079 1.00 0.00 C ATOM 533 O CYS A 40 9.349 -3.570 3.716 1.00 0.00 O ATOM 534 CB CYS A 40 8.395 -0.598 4.222 1.00 0.00 C ATOM 535 SG CYS A 40 6.596 -0.757 4.459 1.00 0.00 S ATOM 0 H CYS A 40 7.590 -0.088 1.943 1.00 0.00 H new ATOM 0 HA CYS A 40 10.010 -1.195 2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.903 -0.988 5.104 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.649 0.459 4.150 1.00 0.00 H new ATOM 0 HG CYS A 40 6.358 -1.583 5.435 1.00 0.00 H new ATOM 540 N GLY A 41 7.528 -3.226 2.439 1.00 0.00 N ATOM 541 CA GLY A 41 7.140 -4.624 2.464 1.00 0.00 C ATOM 542 C GLY A 41 5.891 -4.865 3.288 1.00 0.00 C ATOM 543 O GLY A 41 5.773 -5.887 3.966 1.00 0.00 O ATOM 0 H GLY A 41 6.907 -2.618 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.971 -4.969 1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.959 -5.218 2.870 1.00 0.00 H new ATOM 547 N HIS A 42 4.957 -3.921 3.233 1.00 0.00 N ATOM 548 CA HIS A 42 3.710 -4.035 3.982 1.00 0.00 C ATOM 549 C HIS A 42 2.512 -3.710 3.095 1.00 0.00 C ATOM 550 O HIS A 42 2.671 -3.303 1.944 1.00 0.00 O ATOM 551 CB HIS A 42 3.731 -3.102 5.193 1.00 0.00 C ATOM 552 CG HIS A 42 4.554 -3.618 6.333 1.00 0.00 C ATOM 553 ND1 HIS A 42 5.517 -2.863 6.968 1.00 0.00 N ATOM 554 CD2 HIS A 42 4.553 -4.822 6.952 1.00 0.00 C ATOM 555 CE1 HIS A 42 6.074 -3.581 7.928 1.00 0.00 C ATOM 556 NE2 HIS A 42 5.506 -4.773 7.939 1.00 0.00 N ATOM 0 H HIS A 42 5.040 -3.069 2.678 1.00 0.00 H new ATOM 0 HA HIS A 42 3.615 -5.064 4.328 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.119 -2.131 4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.709 -2.943 5.536 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.920 -5.664 6.714 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.860 -3.249 8.590 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.738 -5.534 8.577 1.00 0.00 H new ATOM 564 N VAL A 43 1.313 -3.893 3.639 1.00 0.00 N ATOM 565 CA VAL A 43 0.087 -3.619 2.897 1.00 0.00 C ATOM 566 C VAL A 43 -0.801 -2.634 3.648 1.00 0.00 C ATOM 567 O VAL A 43 -0.794 -2.588 4.878 1.00 0.00 O ATOM 568 CB VAL A 43 -0.709 -4.911 2.632 1.00 0.00 C ATOM 569 CG1 VAL A 43 -1.957 -4.611 1.817 1.00 0.00 C ATOM 570 CG2 VAL A 43 0.164 -5.939 1.926 1.00 0.00 C ATOM 0 H VAL A 43 1.164 -4.230 4.590 1.00 0.00 H new ATOM 0 HA VAL A 43 0.385 -3.182 1.944 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.021 -5.328 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.507 -5.535 1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.590 -3.912 2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.671 -4.170 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.414 -6.845 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.507 -5.533 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.025 -6.176 2.551 1.00 0.00 H new ATOM 580 N PHE A 44 -1.565 -1.845 2.899 1.00 0.00 N ATOM 581 CA PHE A 44 -2.459 -0.859 3.494 1.00 0.00 C ATOM 582 C PHE A 44 -3.554 -0.455 2.511 1.00 0.00 C ATOM 583 O PHE A 44 -3.594 -0.934 1.377 1.00 0.00 O ATOM 584 CB PHE A 44 -1.670 0.377 3.932 1.00 0.00 C ATOM 585 CG PHE A 44 -0.582 0.074 4.922 1.00 0.00 C ATOM 586 CD1 PHE A 44 -0.878 -0.098 6.265 1.00 0.00 C ATOM 587 CD2 PHE A 44 0.736 -0.038 4.510 1.00 0.00 C ATOM 588 CE1 PHE A 44 0.122 -0.376 7.178 1.00 0.00 C ATOM 589 CE2 PHE A 44 1.740 -0.316 5.419 1.00 0.00 C ATOM 590 CZ PHE A 44 1.432 -0.487 6.754 1.00 0.00 C ATOM 0 H PHE A 44 -1.583 -1.870 1.879 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.928 -1.311 4.368 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.230 0.847 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.357 1.101 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.901 -0.014 6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.982 0.093 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.121 -0.506 8.222 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.764 -0.399 5.085 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.214 -0.707 7.466 1.00 0.00 H new ATOM 600 N CYS A 45 -4.442 0.429 2.954 1.00 0.00 N ATOM 601 CA CYS A 45 -5.539 0.897 2.116 1.00 0.00 C ATOM 602 C CYS A 45 -5.225 2.270 1.526 1.00 0.00 C ATOM 603 O CYS A 45 -4.299 2.949 1.968 1.00 0.00 O ATOM 604 CB CYS A 45 -6.835 0.963 2.926 1.00 0.00 C ATOM 605 SG CYS A 45 -7.158 -0.521 3.932 1.00 0.00 S ATOM 0 H CYS A 45 -4.423 0.836 3.889 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.666 0.189 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.797 1.833 3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.671 1.115 2.243 1.00 0.00 H new ATOM 0 HG CYS A 45 -6.527 -0.424 5.064 1.00 0.00 H new ATOM 610 N SER A 46 -6.004 2.670 0.526 1.00 0.00 N ATOM 611 CA SER A 46 -5.808 3.959 -0.127 1.00 0.00 C ATOM 612 C SER A 46 -5.853 5.095 0.890 1.00 0.00 C ATOM 613 O SER A 46 -4.895 5.854 1.031 1.00 0.00 O ATOM 614 CB SER A 46 -6.875 4.177 -1.201 1.00 0.00 C ATOM 615 OG SER A 46 -6.820 5.498 -1.713 1.00 0.00 O ATOM 0 H SER A 46 -6.777 2.120 0.150 1.00 0.00 H new ATOM 0 HA SER A 46 -4.825 3.955 -0.598 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.731 3.463 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.863 3.987 -0.781 1.00 0.00 H new ATOM 0 HG SER A 46 -7.511 5.612 -2.399 1.00 0.00 H new ATOM 621 N GLN A 47 -6.975 5.205 1.595 1.00 0.00 N ATOM 622 CA GLN A 47 -7.146 6.250 2.598 1.00 0.00 C ATOM 623 C GLN A 47 -6.248 5.998 3.805 1.00 0.00 C ATOM 624 O GLN A 47 -5.390 6.817 4.135 1.00 0.00 O ATOM 625 CB GLN A 47 -8.608 6.324 3.042 1.00 0.00 C ATOM 626 CG GLN A 47 -8.904 7.495 3.966 1.00 0.00 C ATOM 627 CD GLN A 47 -9.148 8.787 3.210 1.00 0.00 C ATOM 628 OE1 GLN A 47 -8.309 9.228 2.425 1.00 0.00 O ATOM 629 NE2 GLN A 47 -10.302 9.401 3.445 1.00 0.00 N ATOM 0 H GLN A 47 -7.778 4.584 1.490 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.861 7.201 2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.244 6.398 2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.873 5.396 3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.779 7.262 4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.068 7.632 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.969 8.999 4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.522 10.274 2.966 1.00 0.00 H new ATOM 638 N CYS A 48 -6.451 4.860 4.461 1.00 0.00 N ATOM 639 CA CYS A 48 -5.661 4.500 5.632 1.00 0.00 C ATOM 640 C CYS A 48 -4.219 4.975 5.482 1.00 0.00 C ATOM 641 O CYS A 48 -3.766 5.858 6.212 1.00 0.00 O ATOM 642 CB CYS A 48 -5.691 2.985 5.846 1.00 0.00 C ATOM 643 SG CYS A 48 -7.361 2.301 6.092 1.00 0.00 S ATOM 0 H CYS A 48 -7.157 4.171 4.201 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.098 4.992 6.501 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.234 2.498 4.984 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.078 2.739 6.713 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.481 1.196 5.417 1.00 0.00 H new ATOM 648 N LEU A 49 -3.503 4.385 4.532 1.00 0.00 N ATOM 649 CA LEU A 49 -2.112 4.748 4.285 1.00 0.00 C ATOM 650 C LEU A 49 -1.932 6.263 4.307 1.00 0.00 C ATOM 651 O LEU A 49 -1.149 6.793 5.095 1.00 0.00 O ATOM 652 CB LEU A 49 -1.649 4.188 2.939 1.00 0.00 C ATOM 653 CG LEU A 49 -0.146 4.257 2.664 1.00 0.00 C ATOM 654 CD1 LEU A 49 0.641 3.792 3.879 1.00 0.00 C ATOM 655 CD2 LEU A 49 0.212 3.423 1.443 1.00 0.00 C ATOM 0 H LEU A 49 -3.863 3.653 3.920 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.504 4.317 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.962 3.146 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.168 4.727 2.146 1.00 0.00 H new ATOM 0 HG LEU A 49 0.119 5.295 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.708 3.848 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.408 4.432 4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.372 2.762 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.285 3.484 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.068 2.384 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.324 3.802 0.573 1.00 0.00 H new ATOM 667 N ARG A 50 -2.664 6.953 3.439 1.00 0.00 N ATOM 668 CA ARG A 50 -2.586 8.407 3.360 1.00 0.00 C ATOM 669 C ARG A 50 -2.753 9.036 4.740 1.00 0.00 C ATOM 670 O ARG A 50 -2.008 9.943 5.114 1.00 0.00 O ATOM 671 CB ARG A 50 -3.657 8.945 2.410 1.00 0.00 C ATOM 672 CG ARG A 50 -3.220 8.976 0.954 1.00 0.00 C ATOM 673 CD ARG A 50 -4.174 9.801 0.104 1.00 0.00 C ATOM 674 NE ARG A 50 -3.898 11.232 0.202 1.00 0.00 N ATOM 675 CZ ARG A 50 -4.475 12.032 1.092 1.00 0.00 C ATOM 676 NH1 ARG A 50 -5.355 11.543 1.955 1.00 0.00 N ATOM 677 NH2 ARG A 50 -4.172 13.323 1.119 1.00 0.00 N ATOM 0 H ARG A 50 -3.318 6.529 2.781 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.601 8.673 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.552 8.329 2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.932 9.953 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.215 9.392 0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.172 7.959 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.095 9.487 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.199 9.607 0.419 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.226 11.639 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.590 10.551 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.797 12.159 2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.496 13.702 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.615 13.937 1.803 1.00 0.00 H new ATOM 691 N ASP A 51 -3.734 8.550 5.492 1.00 0.00 N ATOM 692 CA ASP A 51 -3.998 9.064 6.830 1.00 0.00 C ATOM 693 C ASP A 51 -2.756 8.955 7.709 1.00 0.00 C ATOM 694 O ASP A 51 -2.561 9.753 8.626 1.00 0.00 O ATOM 695 CB ASP A 51 -5.160 8.303 7.472 1.00 0.00 C ATOM 696 CG ASP A 51 -6.502 8.950 7.189 1.00 0.00 C ATOM 697 OD1 ASP A 51 -6.674 10.137 7.537 1.00 0.00 O ATOM 698 OD2 ASP A 51 -7.379 8.270 6.618 1.00 0.00 O ATOM 0 H ASP A 51 -4.360 7.800 5.197 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.267 10.116 6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.169 7.278 7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.005 8.251 8.550 1.00 0.00 H new ATOM 703 N SER A 52 -1.920 7.962 7.423 1.00 0.00 N ATOM 704 CA SER A 52 -0.699 7.746 8.190 1.00 0.00 C ATOM 705 C SER A 52 0.413 8.676 7.715 1.00 0.00 C ATOM 706 O SER A 52 1.182 9.205 8.519 1.00 0.00 O ATOM 707 CB SER A 52 -0.247 6.289 8.070 1.00 0.00 C ATOM 708 OG SER A 52 0.889 6.039 8.880 1.00 0.00 O ATOM 0 H SER A 52 -2.066 7.294 6.666 1.00 0.00 H new ATOM 0 HA SER A 52 -0.912 7.968 9.236 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.061 5.627 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.013 6.062 7.030 1.00 0.00 H new ATOM 0 HG SER A 52 1.704 6.209 8.362 1.00 0.00 H new ATOM 714 N LEU A 53 0.493 8.871 6.404 1.00 0.00 N ATOM 715 CA LEU A 53 1.511 9.737 5.819 1.00 0.00 C ATOM 716 C LEU A 53 1.285 11.191 6.222 1.00 0.00 C ATOM 717 O LEU A 53 2.230 11.910 6.550 1.00 0.00 O ATOM 718 CB LEU A 53 1.501 9.611 4.294 1.00 0.00 C ATOM 719 CG LEU A 53 2.325 8.463 3.711 1.00 0.00 C ATOM 720 CD1 LEU A 53 3.717 8.440 4.322 1.00 0.00 C ATOM 721 CD2 LEU A 53 1.620 7.133 3.936 1.00 0.00 C ATOM 0 H LEU A 53 -0.135 8.441 5.725 1.00 0.00 H new ATOM 0 HA LEU A 53 2.483 9.421 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.468 9.494 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.866 10.546 3.870 1.00 0.00 H new ATOM 0 HG LEU A 53 2.425 8.622 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.288 7.616 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.223 9.382 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.639 8.306 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.221 6.327 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.489 6.967 5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.645 7.151 3.449 1.00 0.00 H new ATOM 733 N LYS A 54 0.027 11.618 6.197 1.00 0.00 N ATOM 734 CA LYS A 54 -0.325 12.985 6.563 1.00 0.00 C ATOM 735 C LYS A 54 0.268 13.355 7.919 1.00 0.00 C ATOM 736 O LYS A 54 0.858 14.422 8.079 1.00 0.00 O ATOM 737 CB LYS A 54 -1.846 13.150 6.597 1.00 0.00 C ATOM 738 CG LYS A 54 -2.492 13.112 5.223 1.00 0.00 C ATOM 739 CD LYS A 54 -3.978 12.807 5.314 1.00 0.00 C ATOM 740 CE LYS A 54 -4.771 14.026 5.761 1.00 0.00 C ATOM 741 NZ LYS A 54 -4.903 15.032 4.671 1.00 0.00 N ATOM 0 H LYS A 54 -0.766 11.037 5.927 1.00 0.00 H new ATOM 0 HA LYS A 54 0.090 13.655 5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.275 12.360 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.090 14.097 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.346 14.070 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.001 12.356 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.342 12.471 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.140 11.989 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.762 13.714 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.280 14.484 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.573 15.773 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.975 15.460 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.254 14.567 3.810 1.00 0.00 H new ATOM 755 N ASN A 55 0.107 12.464 8.893 1.00 0.00 N ATOM 756 CA ASN A 55 0.627 12.698 10.235 1.00 0.00 C ATOM 757 C ASN A 55 2.110 12.348 10.312 1.00 0.00 C ATOM 758 O ASN A 55 2.956 13.224 10.485 1.00 0.00 O ATOM 759 CB ASN A 55 -0.157 11.873 11.259 1.00 0.00 C ATOM 760 CG ASN A 55 0.375 12.044 12.668 1.00 0.00 C ATOM 761 OD1 ASN A 55 0.363 13.145 13.219 1.00 0.00 O ATOM 762 ND2 ASN A 55 0.847 10.952 13.259 1.00 0.00 N ATOM 0 H ASN A 55 -0.379 11.575 8.778 1.00 0.00 H new ATOM 0 HA ASN A 55 0.509 13.757 10.464 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.206 12.167 11.232 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.114 10.820 10.983 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.219 11.006 14.207 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.837 10.060 12.765 1.00 0.00 H new ATOM 769 N ALA A 56 2.417 11.062 10.182 1.00 0.00 N ATOM 770 CA ALA A 56 3.797 10.596 10.234 1.00 0.00 C ATOM 771 C ALA A 56 4.319 10.269 8.840 1.00 0.00 C ATOM 772 O ALA A 56 3.647 9.599 8.056 1.00 0.00 O ATOM 773 CB ALA A 56 3.910 9.380 11.141 1.00 0.00 C ATOM 0 H ALA A 56 1.728 10.324 10.040 1.00 0.00 H new ATOM 0 HA ALA A 56 4.410 11.399 10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.946 9.043 11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.586 9.645 12.147 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.279 8.579 10.756 1.00 0.00 H new ATOM 779 N ASN A 57 5.521 10.746 8.536 1.00 0.00 N ATOM 780 CA ASN A 57 6.133 10.505 7.234 1.00 0.00 C ATOM 781 C ASN A 57 6.870 9.169 7.218 1.00 0.00 C ATOM 782 O ASN A 57 8.020 9.086 6.785 1.00 0.00 O ATOM 783 CB ASN A 57 7.100 11.638 6.884 1.00 0.00 C ATOM 784 CG ASN A 57 8.338 11.633 7.759 1.00 0.00 C ATOM 785 OD1 ASN A 57 9.342 10.999 7.430 1.00 0.00 O ATOM 786 ND2 ASN A 57 8.273 12.340 8.881 1.00 0.00 N ATOM 0 H ASN A 57 6.091 11.302 9.173 1.00 0.00 H new ATOM 0 HA ASN A 57 5.339 10.471 6.488 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.397 11.549 5.839 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.588 12.594 6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.075 12.373 9.510 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.421 12.850 9.114 1.00 0.00 H new ATOM 793 N THR A 58 6.200 8.124 7.694 1.00 0.00 N ATOM 794 CA THR A 58 6.790 6.792 7.735 1.00 0.00 C ATOM 795 C THR A 58 5.718 5.720 7.887 1.00 0.00 C ATOM 796 O THR A 58 4.546 6.026 8.108 1.00 0.00 O ATOM 797 CB THR A 58 7.799 6.661 8.892 1.00 0.00 C ATOM 798 OG1 THR A 58 7.215 7.141 10.108 1.00 0.00 O ATOM 799 CG2 THR A 58 9.071 7.440 8.592 1.00 0.00 C ATOM 0 H THR A 58 5.248 8.175 8.057 1.00 0.00 H new ATOM 0 HA THR A 58 7.312 6.648 6.789 1.00 0.00 H new ATOM 0 HB THR A 58 8.055 5.607 9.004 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.862 7.053 10.839 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.768 7.332 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.529 7.052 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.829 8.494 8.456 1.00 0.00 H new ATOM 807 N CYS A 59 6.125 4.461 7.767 1.00 0.00 N ATOM 808 CA CYS A 59 5.199 3.342 7.891 1.00 0.00 C ATOM 809 C CYS A 59 4.784 3.138 9.345 1.00 0.00 C ATOM 810 O CYS A 59 5.614 3.082 10.252 1.00 0.00 O ATOM 811 CB CYS A 59 5.838 2.062 7.347 1.00 0.00 C ATOM 812 SG CYS A 59 4.688 0.655 7.216 1.00 0.00 S ATOM 0 H CYS A 59 7.091 4.190 7.584 1.00 0.00 H new ATOM 0 HA CYS A 59 4.308 3.573 7.306 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.257 2.268 6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.668 1.780 7.994 1.00 0.00 H new ATOM 0 HG CYS A 59 5.074 -0.133 6.257 1.00 0.00 H new ATOM 817 N PRO A 60 3.467 3.025 9.574 1.00 0.00 N ATOM 818 CA PRO A 60 2.911 2.825 10.915 1.00 0.00 C ATOM 819 C PRO A 60 3.226 1.441 11.473 1.00 0.00 C ATOM 820 O PRO A 60 2.773 1.080 12.560 1.00 0.00 O ATOM 821 CB PRO A 60 1.403 2.984 10.701 1.00 0.00 C ATOM 822 CG PRO A 60 1.184 2.633 9.270 1.00 0.00 C ATOM 823 CD PRO A 60 2.420 3.082 8.540 1.00 0.00 C ATOM 0 HA PRO A 60 3.329 3.525 11.638 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.838 2.326 11.361 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.078 4.003 10.913 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.028 1.561 9.151 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.297 3.130 8.878 1.00 0.00 H new ATOM 0 HD2 PRO A 60 2.650 2.428 7.699 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.306 4.089 8.139 1.00 0.00 H new ATOM 831 N THR A 61 4.007 0.669 10.723 1.00 0.00 N ATOM 832 CA THR A 61 4.382 -0.675 11.143 1.00 0.00 C ATOM 833 C THR A 61 5.879 -0.767 11.418 1.00 0.00 C ATOM 834 O THR A 61 6.298 -1.021 12.548 1.00 0.00 O ATOM 835 CB THR A 61 4.003 -1.722 10.079 1.00 0.00 C ATOM 836 OG1 THR A 61 2.610 -1.616 9.762 1.00 0.00 O ATOM 837 CG2 THR A 61 4.310 -3.129 10.570 1.00 0.00 C ATOM 0 H THR A 61 4.392 0.952 9.822 1.00 0.00 H new ATOM 0 HA THR A 61 3.832 -0.884 12.061 1.00 0.00 H new ATOM 0 HB THR A 61 4.595 -1.529 9.184 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.377 -2.284 9.084 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.034 -3.851 9.801 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.375 -3.216 10.783 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.741 -3.330 11.478 1.00 0.00 H new ATOM 845 N CYS A 62 6.681 -0.559 10.379 1.00 0.00 N ATOM 846 CA CYS A 62 8.132 -0.618 10.509 1.00 0.00 C ATOM 847 C CYS A 62 8.706 0.760 10.829 1.00 0.00 C ATOM 848 O CYS A 62 9.771 0.874 11.436 1.00 0.00 O ATOM 849 CB CYS A 62 8.758 -1.156 9.221 1.00 0.00 C ATOM 850 SG CYS A 62 8.153 -0.348 7.705 1.00 0.00 S ATOM 0 H CYS A 62 6.350 -0.348 9.437 1.00 0.00 H new ATOM 0 HA CYS A 62 8.371 -1.292 11.331 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.840 -1.035 9.277 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.560 -2.226 9.153 1.00 0.00 H new ATOM 0 HG CYS A 62 6.855 -0.283 7.736 1.00 0.00 H new ATOM 855 N ARG A 63 7.992 1.802 10.418 1.00 0.00 N ATOM 856 CA ARG A 63 8.430 3.172 10.660 1.00 0.00 C ATOM 857 C ARG A 63 9.731 3.465 9.919 1.00 0.00 C ATOM 858 O ARG A 63 10.690 3.972 10.501 1.00 0.00 O ATOM 859 CB ARG A 63 8.619 3.412 12.159 1.00 0.00 C ATOM 860 CG ARG A 63 7.354 3.200 12.974 1.00 0.00 C ATOM 861 CD ARG A 63 6.551 4.485 13.100 1.00 0.00 C ATOM 862 NE ARG A 63 5.710 4.491 14.294 1.00 0.00 N ATOM 863 CZ ARG A 63 5.258 5.599 14.869 1.00 0.00 C ATOM 864 NH1 ARG A 63 5.563 6.786 14.361 1.00 0.00 N ATOM 865 NH2 ARG A 63 4.498 5.523 15.954 1.00 0.00 N ATOM 0 H ARG A 63 7.108 1.724 9.916 1.00 0.00 H new ATOM 0 HA ARG A 63 7.659 3.845 10.286 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.396 2.744 12.530 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.974 4.431 12.313 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.741 2.431 12.503 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.616 2.835 13.967 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.232 5.336 13.132 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.926 4.610 12.216 1.00 0.00 H new ATOM 0 HE ARG A 63 5.456 3.595 14.709 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.146 6.849 13.527 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.214 7.636 14.805 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.260 4.612 16.347 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.151 6.375 16.395 1.00 0.00 H new ATOM 879 N LYS A 64 9.757 3.143 8.630 1.00 0.00 N ATOM 880 CA LYS A 64 10.939 3.372 7.807 1.00 0.00 C ATOM 881 C LYS A 64 10.682 4.467 6.778 1.00 0.00 C ATOM 882 O LYS A 64 9.544 4.895 6.583 1.00 0.00 O ATOM 883 CB LYS A 64 11.351 2.079 7.099 1.00 0.00 C ATOM 884 CG LYS A 64 12.549 2.244 6.180 1.00 0.00 C ATOM 885 CD LYS A 64 13.039 0.905 5.655 1.00 0.00 C ATOM 886 CE LYS A 64 14.514 0.955 5.291 1.00 0.00 C ATOM 887 NZ LYS A 64 15.379 1.097 6.495 1.00 0.00 N ATOM 0 H LYS A 64 8.972 2.722 8.132 1.00 0.00 H new ATOM 0 HA LYS A 64 11.749 3.695 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.580 1.321 7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.507 1.708 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.280 2.888 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.356 2.742 6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.875 0.135 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.456 0.621 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.786 0.047 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.693 1.791 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.334 0.746 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.432 2.099 6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.976 0.545 7.279 1.00 0.00 H new ATOM 901 N LYS A 65 11.745 4.917 6.121 1.00 0.00 N ATOM 902 CA LYS A 65 11.635 5.962 5.109 1.00 0.00 C ATOM 903 C LYS A 65 10.815 5.479 3.917 1.00 0.00 C ATOM 904 O LYS A 65 11.313 4.740 3.067 1.00 0.00 O ATOM 905 CB LYS A 65 13.026 6.397 4.642 1.00 0.00 C ATOM 906 CG LYS A 65 13.007 7.599 3.714 1.00 0.00 C ATOM 907 CD LYS A 65 12.583 8.862 4.445 1.00 0.00 C ATOM 908 CE LYS A 65 13.689 9.380 5.350 1.00 0.00 C ATOM 909 NZ LYS A 65 14.722 10.136 4.587 1.00 0.00 N ATOM 0 H LYS A 65 12.694 4.574 6.271 1.00 0.00 H new ATOM 0 HA LYS A 65 11.126 6.815 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.636 6.631 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.507 5.562 4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.998 7.742 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.323 7.410 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.315 9.631 3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.692 8.658 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.259 10.025 6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.159 8.542 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.459 10.473 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.151 9.514 3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.279 10.950 4.116 1.00 0.00 H new ATOM 923 N ILE A 66 9.557 5.903 3.860 1.00 0.00 N ATOM 924 CA ILE A 66 8.669 5.516 2.770 1.00 0.00 C ATOM 925 C ILE A 66 8.187 6.737 1.994 1.00 0.00 C ATOM 926 O ILE A 66 7.694 7.701 2.578 1.00 0.00 O ATOM 927 CB ILE A 66 7.447 4.736 3.289 1.00 0.00 C ATOM 928 CG1 ILE A 66 6.874 5.413 4.536 1.00 0.00 C ATOM 929 CG2 ILE A 66 7.828 3.294 3.591 1.00 0.00 C ATOM 930 CD1 ILE A 66 5.384 5.214 4.701 1.00 0.00 C ATOM 0 H ILE A 66 9.130 6.514 4.556 1.00 0.00 H new ATOM 0 HA ILE A 66 9.246 4.871 2.107 1.00 0.00 H new ATOM 0 HB ILE A 66 6.680 4.734 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.384 5.024 5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.087 6.481 4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.954 2.756 3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.194 2.816 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.610 3.276 4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.047 5.721 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.864 5.628 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.166 4.149 4.779 1.00 0.00 H new