USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=17 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 137:sc= 1.39 USER MOD Set 1.2: A 40 CYS SG : rot 123:sc= 0.0889 USER MOD Set 1.3: A 42 HIS : no HD1:sc= -0.141 K(o=-1.5,f=-3.2) USER MOD Set 1.4: A 59 CYS SG : rot 65:sc= -1.3 USER MOD Set 1.5: A 62 CYS SG : rot -47:sc= -1.51 USER MOD Set 2.1: A 18 CYS SG : rot 100:sc= 0.681 USER MOD Set 2.2: A 21 CYS SG : rot -55:sc= -5.86! USER MOD Set 2.3: A 45 CYS SG : rot 76:sc= 1.15 USER MOD Set 2.4: A 48 CYS SG : rot 140:sc= -0.628 USER MOD Single : A 17 SER OG : rot 180:sc= 0 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= -0.397 X(o=-0.4,f=-0.4) USER MOD Single : A 31 ASN : amide:sc= -0.725 X(o=-0.73,f=-1) 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=-0.00174 K(o=-0.0017,f=-1.2) USER MOD Single : A 52 SER OG : rot 80:sc= -0.112 USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= -0.0232 (180deg=-2) USER MOD Single : A 55 ASN : amide:sc= -0.035 K(o=-0.035,f=-1.6!) USER MOD Single : A 57 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.011) USER MOD Single : A 58 THR OG1 : rot -169:sc= -0.137 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 16 -5.135 -10.494 2.961 1.00 0.00 N ATOM 177 CA VAL A 16 -4.512 -9.239 3.362 1.00 0.00 C ATOM 178 C VAL A 16 -5.071 -8.748 4.693 1.00 0.00 C ATOM 179 O VAL A 16 -6.103 -9.229 5.160 1.00 0.00 O ATOM 180 CB VAL A 16 -4.716 -8.145 2.297 1.00 0.00 C ATOM 181 CG1 VAL A 16 -4.145 -8.589 0.959 1.00 0.00 C ATOM 182 CG2 VAL A 16 -6.192 -7.797 2.168 1.00 0.00 C ATOM 0 HA VAL A 16 -3.445 -9.436 3.470 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.181 -7.249 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.298 -7.803 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.078 -8.784 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.649 -9.499 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.318 -7.023 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.751 -8.686 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.565 -7.433 3.125 1.00 0.00 H new ATOM 192 N SER A 17 -4.382 -7.785 5.299 1.00 0.00 N ATOM 193 CA SER A 17 -4.808 -7.231 6.579 1.00 0.00 C ATOM 194 C SER A 17 -4.185 -5.857 6.810 1.00 0.00 C ATOM 195 O SER A 17 -2.966 -5.698 6.748 1.00 0.00 O ATOM 196 CB SER A 17 -4.427 -8.175 7.720 1.00 0.00 C ATOM 197 OG SER A 17 -5.359 -8.092 8.784 1.00 0.00 O ATOM 0 H SER A 17 -3.527 -7.373 4.924 1.00 0.00 H new ATOM 0 HA SER A 17 -5.892 -7.120 6.556 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.384 -9.199 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.431 -7.926 8.085 1.00 0.00 H new ATOM 0 HG SER A 17 -5.094 -8.706 9.500 1.00 0.00 H new ATOM 203 N CYS A 18 -5.031 -4.868 7.076 1.00 0.00 N ATOM 204 CA CYS A 18 -4.566 -3.507 7.316 1.00 0.00 C ATOM 205 C CYS A 18 -4.534 -3.199 8.810 1.00 0.00 C ATOM 206 O CYS A 18 -5.550 -3.261 9.504 1.00 0.00 O ATOM 207 CB CYS A 18 -5.469 -2.503 6.596 1.00 0.00 C ATOM 208 SG CYS A 18 -4.995 -0.763 6.850 1.00 0.00 S ATOM 0 H CYS A 18 -6.043 -4.983 7.131 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.553 -3.421 6.923 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.456 -2.720 5.528 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.495 -2.643 6.937 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.328 -0.340 5.818 1.00 0.00 H new ATOM 213 N PRO A 19 -3.341 -2.859 9.318 1.00 0.00 N ATOM 214 CA PRO A 19 -3.147 -2.533 10.735 1.00 0.00 C ATOM 215 C PRO A 19 -3.798 -1.209 11.119 1.00 0.00 C ATOM 216 O PRO A 19 -3.869 -0.861 12.298 1.00 0.00 O ATOM 217 CB PRO A 19 -1.626 -2.441 10.873 1.00 0.00 C ATOM 218 CG PRO A 19 -1.142 -2.094 9.507 1.00 0.00 C ATOM 219 CD PRO A 19 -2.088 -2.765 8.550 1.00 0.00 C ATOM 0 HA PRO A 19 -3.604 -3.275 11.390 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.340 -1.681 11.600 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.202 -3.385 11.215 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.136 -1.014 9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.120 -2.442 9.355 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.218 -2.182 7.638 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.726 -3.748 8.250 1.00 0.00 H new ATOM 227 N ILE A 20 -4.273 -0.476 10.118 1.00 0.00 N ATOM 228 CA ILE A 20 -4.920 0.809 10.353 1.00 0.00 C ATOM 229 C ILE A 20 -6.401 0.630 10.665 1.00 0.00 C ATOM 230 O ILE A 20 -6.894 1.108 11.688 1.00 0.00 O ATOM 231 CB ILE A 20 -4.772 1.744 9.138 1.00 0.00 C ATOM 232 CG1 ILE A 20 -3.304 1.842 8.717 1.00 0.00 C ATOM 233 CG2 ILE A 20 -5.330 3.123 9.459 1.00 0.00 C ATOM 234 CD1 ILE A 20 -2.437 2.576 9.716 1.00 0.00 C ATOM 0 H ILE A 20 -4.222 -0.750 9.137 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.423 1.260 11.211 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.341 1.328 8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.908 0.837 8.573 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.244 2.349 7.754 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.218 3.772 8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.386 3.038 9.714 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.786 3.548 10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.410 2.607 9.353 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.808 3.593 9.842 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.467 2.057 10.674 1.00 0.00 H new ATOM 246 N CYS A 21 -7.108 -0.063 9.779 1.00 0.00 N ATOM 247 CA CYS A 21 -8.533 -0.308 9.959 1.00 0.00 C ATOM 248 C CYS A 21 -8.779 -1.708 10.514 1.00 0.00 C ATOM 249 O CYS A 21 -9.791 -1.959 11.169 1.00 0.00 O ATOM 250 CB CYS A 21 -9.274 -0.137 8.631 1.00 0.00 C ATOM 251 SG CYS A 21 -8.531 -1.052 7.243 1.00 0.00 S ATOM 0 H CYS A 21 -6.716 -0.465 8.928 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.913 0.420 10.676 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.306 -0.465 8.758 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.305 0.923 8.378 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.280 -0.719 7.123 1.00 0.00 H new ATOM 256 N MET A 22 -7.846 -2.616 10.248 1.00 0.00 N ATOM 257 CA MET A 22 -7.960 -3.991 10.722 1.00 0.00 C ATOM 258 C MET A 22 -9.120 -4.707 10.038 1.00 0.00 C ATOM 259 O MET A 22 -10.007 -5.246 10.700 1.00 0.00 O ATOM 260 CB MET A 22 -8.155 -4.015 12.240 1.00 0.00 C ATOM 261 CG MET A 22 -7.077 -3.261 13.003 1.00 0.00 C ATOM 262 SD MET A 22 -5.573 -4.231 13.221 1.00 0.00 S ATOM 263 CE MET A 22 -6.010 -5.214 14.653 1.00 0.00 C ATOM 0 H MET A 22 -7.003 -2.425 9.707 1.00 0.00 H new ATOM 0 HA MET A 22 -7.036 -4.513 10.473 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.127 -3.585 12.480 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.172 -5.051 12.580 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.837 -2.341 12.471 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.464 -2.973 13.980 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.178 -5.868 14.913 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.230 -4.555 15.493 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.889 -5.817 14.426 1.00 0.00 H new ATOM 273 N ASP A 23 -9.106 -4.710 8.709 1.00 0.00 N ATOM 274 CA ASP A 23 -10.157 -5.361 7.935 1.00 0.00 C ATOM 275 C ASP A 23 -9.561 -6.319 6.909 1.00 0.00 C ATOM 276 O ASP A 23 -8.379 -6.234 6.578 1.00 0.00 O ATOM 277 CB ASP A 23 -11.024 -4.316 7.232 1.00 0.00 C ATOM 278 CG ASP A 23 -10.202 -3.333 6.421 1.00 0.00 C ATOM 279 OD1 ASP A 23 -9.004 -3.604 6.197 1.00 0.00 O ATOM 280 OD2 ASP A 23 -10.757 -2.291 6.011 1.00 0.00 O ATOM 0 H ASP A 23 -8.379 -4.269 8.146 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.779 -5.934 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.734 -4.819 6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.607 -3.772 7.975 1.00 0.00 H new ATOM 285 N GLY A 24 -10.388 -7.233 6.409 1.00 0.00 N ATOM 286 CA GLY A 24 -9.924 -8.195 5.427 1.00 0.00 C ATOM 287 C GLY A 24 -9.608 -7.553 4.091 1.00 0.00 C ATOM 288 O GLY A 24 -8.863 -6.575 4.025 1.00 0.00 O ATOM 0 H GLY A 24 -11.371 -7.324 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.033 -8.695 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.685 -8.962 5.287 1.00 0.00 H new ATOM 292 N TYR A 25 -10.174 -8.104 3.023 1.00 0.00 N ATOM 293 CA TYR A 25 -9.945 -7.582 1.681 1.00 0.00 C ATOM 294 C TYR A 25 -11.246 -7.081 1.062 1.00 0.00 C ATOM 295 O TYR A 25 -11.285 -6.013 0.452 1.00 0.00 O ATOM 296 CB TYR A 25 -9.325 -8.660 0.790 1.00 0.00 C ATOM 297 CG TYR A 25 -9.316 -8.300 -0.678 1.00 0.00 C ATOM 298 CD1 TYR A 25 -10.389 -8.624 -1.499 1.00 0.00 C ATOM 299 CD2 TYR A 25 -8.235 -7.636 -1.244 1.00 0.00 C ATOM 300 CE1 TYR A 25 -10.385 -8.298 -2.842 1.00 0.00 C ATOM 301 CE2 TYR A 25 -8.223 -7.305 -2.586 1.00 0.00 C ATOM 302 CZ TYR A 25 -9.300 -7.638 -3.380 1.00 0.00 C ATOM 303 OH TYR A 25 -9.292 -7.311 -4.717 1.00 0.00 O ATOM 0 H TYR A 25 -10.795 -8.912 3.061 1.00 0.00 H new ATOM 0 HA TYR A 25 -9.254 -6.743 1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.302 -8.845 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.876 -9.591 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.241 -9.139 -1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.390 -7.374 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.227 -8.559 -3.467 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.375 -6.788 -3.010 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.456 -6.849 -4.936 1.00 0.00 H new ATOM 313 N SER A 26 -12.310 -7.861 1.225 1.00 0.00 N ATOM 314 CA SER A 26 -13.613 -7.500 0.681 1.00 0.00 C ATOM 315 C SER A 26 -14.112 -6.192 1.287 1.00 0.00 C ATOM 316 O SER A 26 -14.530 -5.283 0.571 1.00 0.00 O ATOM 317 CB SER A 26 -14.626 -8.616 0.943 1.00 0.00 C ATOM 318 OG SER A 26 -15.889 -8.300 0.382 1.00 0.00 O ATOM 0 H SER A 26 -12.295 -8.747 1.730 1.00 0.00 H new ATOM 0 HA SER A 26 -13.504 -7.363 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.260 -9.551 0.519 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.730 -8.772 2.017 1.00 0.00 H new ATOM 0 HG SER A 26 -16.518 -9.029 0.562 1.00 0.00 H new ATOM 324 N GLU A 27 -14.065 -6.105 2.613 1.00 0.00 N ATOM 325 CA GLU A 27 -14.512 -4.909 3.317 1.00 0.00 C ATOM 326 C GLU A 27 -13.870 -3.658 2.725 1.00 0.00 C ATOM 327 O GLU A 27 -14.564 -2.727 2.315 1.00 0.00 O ATOM 328 CB GLU A 27 -14.178 -5.012 4.806 1.00 0.00 C ATOM 329 CG GLU A 27 -14.859 -6.178 5.504 1.00 0.00 C ATOM 330 CD GLU A 27 -14.505 -6.263 6.976 1.00 0.00 C ATOM 331 OE1 GLU A 27 -13.485 -6.904 7.305 1.00 0.00 O ATOM 332 OE2 GLU A 27 -15.249 -5.689 7.799 1.00 0.00 O ATOM 0 H GLU A 27 -13.722 -6.849 3.221 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.593 -4.832 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.099 -5.111 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.468 -4.084 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.939 -6.079 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.575 -7.108 5.011 1.00 0.00 H new ATOM 339 N ILE A 28 -12.542 -3.644 2.685 1.00 0.00 N ATOM 340 CA ILE A 28 -11.807 -2.508 2.144 1.00 0.00 C ATOM 341 C ILE A 28 -12.313 -2.136 0.754 1.00 0.00 C ATOM 342 O ILE A 28 -12.669 -0.986 0.498 1.00 0.00 O ATOM 343 CB ILE A 28 -10.297 -2.800 2.067 1.00 0.00 C ATOM 344 CG1 ILE A 28 -9.738 -3.084 3.462 1.00 0.00 C ATOM 345 CG2 ILE A 28 -9.563 -1.632 1.424 1.00 0.00 C ATOM 346 CD1 ILE A 28 -8.402 -3.794 3.445 1.00 0.00 C ATOM 0 H ILE A 28 -11.953 -4.406 3.021 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.973 -1.672 2.824 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.145 -3.684 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.633 -2.142 4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.455 -3.690 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.497 -1.854 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.945 -1.473 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.720 -0.732 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.067 -3.963 4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.505 -4.752 2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.670 -3.180 2.920 1.00 0.00 H new ATOM 358 N VAL A 29 -12.345 -3.119 -0.140 1.00 0.00 N ATOM 359 CA VAL A 29 -12.811 -2.898 -1.503 1.00 0.00 C ATOM 360 C VAL A 29 -14.334 -2.887 -1.569 1.00 0.00 C ATOM 361 O VAL A 29 -14.919 -2.909 -2.652 1.00 0.00 O ATOM 362 CB VAL A 29 -12.275 -3.976 -2.463 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.763 -3.872 -2.591 1.00 0.00 C ATOM 364 CG2 VAL A 29 -12.683 -5.362 -1.987 1.00 0.00 C ATOM 0 H VAL A 29 -12.053 -4.077 0.056 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.429 -1.925 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.712 -3.811 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.402 -4.642 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.498 -2.889 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.305 -4.011 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -12.296 -6.112 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.275 -5.540 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.770 -5.429 -1.951 1.00 0.00 H new ATOM 374 N GLN A 30 -14.971 -2.853 -0.403 1.00 0.00 N ATOM 375 CA GLN A 30 -16.427 -2.840 -0.328 1.00 0.00 C ATOM 376 C GLN A 30 -16.972 -1.435 -0.562 1.00 0.00 C ATOM 377 O GLN A 30 -17.704 -0.896 0.267 1.00 0.00 O ATOM 378 CB GLN A 30 -16.894 -3.360 1.033 1.00 0.00 C ATOM 379 CG GLN A 30 -18.245 -4.054 0.988 1.00 0.00 C ATOM 380 CD GLN A 30 -19.403 -3.089 1.153 1.00 0.00 C ATOM 381 OE1 GLN A 30 -19.585 -2.496 2.217 1.00 0.00 O ATOM 382 NE2 GLN A 30 -20.194 -2.927 0.099 1.00 0.00 N ATOM 0 H GLN A 30 -14.502 -2.834 0.502 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.811 -3.494 -1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.150 -4.056 1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.946 -2.526 1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.348 -4.580 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.289 -4.806 1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -20.006 -3.439 -0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -20.990 -2.291 0.151 1.00 0.00 H new ATOM 391 N ASN A 31 -16.608 -0.846 -1.697 1.00 0.00 N ATOM 392 CA ASN A 31 -17.060 0.497 -2.040 1.00 0.00 C ATOM 393 C ASN A 31 -16.657 1.498 -0.962 1.00 0.00 C ATOM 394 O ASN A 31 -17.453 2.345 -0.558 1.00 0.00 O ATOM 395 CB ASN A 31 -18.578 0.515 -2.228 1.00 0.00 C ATOM 396 CG ASN A 31 -19.094 1.880 -2.640 1.00 0.00 C ATOM 397 OD1 ASN A 31 -18.480 2.568 -3.456 1.00 0.00 O ATOM 398 ND2 ASN A 31 -20.228 2.280 -2.076 1.00 0.00 N ATOM 0 H ASN A 31 -16.002 -1.278 -2.394 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.582 0.786 -2.976 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.856 -0.219 -2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -19.060 0.213 -1.298 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -20.623 3.190 -2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.704 1.677 -1.404 1.00 0.00 H new ATOM 405 N GLY A 32 -15.415 1.395 -0.500 1.00 0.00 N ATOM 406 CA GLY A 32 -14.927 2.298 0.527 1.00 0.00 C ATOM 407 C GLY A 32 -13.519 2.786 0.249 1.00 0.00 C ATOM 408 O GLY A 32 -13.277 3.990 0.170 1.00 0.00 O ATOM 0 H GLY A 32 -14.737 0.702 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.597 3.155 0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.949 1.792 1.492 1.00 0.00 H new ATOM 412 N ARG A 33 -12.588 1.849 0.103 1.00 0.00 N ATOM 413 CA ARG A 33 -11.196 2.190 -0.164 1.00 0.00 C ATOM 414 C ARG A 33 -10.546 1.150 -1.071 1.00 0.00 C ATOM 415 O ARG A 33 -11.085 0.060 -1.271 1.00 0.00 O ATOM 416 CB ARG A 33 -10.416 2.300 1.146 1.00 0.00 C ATOM 417 CG ARG A 33 -10.897 3.424 2.050 1.00 0.00 C ATOM 418 CD ARG A 33 -10.124 3.455 3.359 1.00 0.00 C ATOM 419 NE ARG A 33 -10.824 4.219 4.389 1.00 0.00 N ATOM 420 CZ ARG A 33 -11.780 3.712 5.159 1.00 0.00 C ATOM 421 NH1 ARG A 33 -12.148 2.446 5.016 1.00 0.00 N ATOM 422 NH2 ARG A 33 -12.369 4.470 6.074 1.00 0.00 N ATOM 0 H ARG A 33 -12.773 0.848 0.165 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.175 3.154 -0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.491 1.355 1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.361 2.454 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.784 4.379 1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.960 3.297 2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.964 2.436 3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.140 3.892 3.189 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.564 5.196 4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.697 1.860 4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.882 2.058 5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.088 5.444 6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.103 4.079 6.665 1.00 0.00 H new ATOM 436 N LEU A 34 -9.384 1.492 -1.618 1.00 0.00 N ATOM 437 CA LEU A 34 -8.659 0.588 -2.504 1.00 0.00 C ATOM 438 C LEU A 34 -7.487 -0.063 -1.777 1.00 0.00 C ATOM 439 O LEU A 34 -7.034 0.430 -0.743 1.00 0.00 O ATOM 440 CB LEU A 34 -8.156 1.344 -3.735 1.00 0.00 C ATOM 441 CG LEU A 34 -8.036 0.526 -5.021 1.00 0.00 C ATOM 442 CD1 LEU A 34 -9.410 0.267 -5.619 1.00 0.00 C ATOM 443 CD2 LEU A 34 -7.141 1.240 -6.025 1.00 0.00 C ATOM 0 H LEU A 34 -8.924 2.389 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.345 -0.197 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.828 2.182 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.178 1.766 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.582 -0.434 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.305 -0.316 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.020 -0.286 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.892 1.217 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.067 0.644 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.567 2.214 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.148 1.374 -5.596 1.00 0.00 H new ATOM 455 N ILE A 35 -6.998 -1.170 -2.325 1.00 0.00 N ATOM 456 CA ILE A 35 -5.876 -1.885 -1.731 1.00 0.00 C ATOM 457 C ILE A 35 -4.547 -1.369 -2.271 1.00 0.00 C ATOM 458 O ILE A 35 -4.232 -1.543 -3.448 1.00 0.00 O ATOM 459 CB ILE A 35 -5.970 -3.400 -1.995 1.00 0.00 C ATOM 460 CG1 ILE A 35 -7.315 -3.942 -1.506 1.00 0.00 C ATOM 461 CG2 ILE A 35 -4.821 -4.128 -1.315 1.00 0.00 C ATOM 462 CD1 ILE A 35 -7.401 -4.077 -0.002 1.00 0.00 C ATOM 0 H ILE A 35 -7.362 -1.591 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.923 -1.708 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.899 -3.572 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.111 -3.281 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.492 -4.917 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.901 -5.197 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.873 -3.758 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.864 -3.952 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.381 -4.466 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.628 -4.762 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.256 -3.100 0.460 1.00 0.00 H new ATOM 474 N VAL A 36 -3.768 -0.733 -1.401 1.00 0.00 N ATOM 475 CA VAL A 36 -2.470 -0.193 -1.789 1.00 0.00 C ATOM 476 C VAL A 36 -1.337 -0.917 -1.071 1.00 0.00 C ATOM 477 O VAL A 36 -1.572 -1.706 -0.156 1.00 0.00 O ATOM 478 CB VAL A 36 -2.376 1.314 -1.485 1.00 0.00 C ATOM 479 CG1 VAL A 36 -3.327 2.099 -2.375 1.00 0.00 C ATOM 480 CG2 VAL A 36 -2.666 1.580 -0.016 1.00 0.00 C ATOM 0 H VAL A 36 -4.013 -0.579 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.371 -0.346 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.360 1.647 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.246 3.162 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.068 1.933 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.350 1.766 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.595 2.650 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.670 1.232 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.940 1.049 0.600 1.00 0.00 H new ATOM 490 N SER A 37 -0.106 -0.642 -1.492 1.00 0.00 N ATOM 491 CA SER A 37 1.065 -1.270 -0.891 1.00 0.00 C ATOM 492 C SER A 37 2.140 -0.232 -0.585 1.00 0.00 C ATOM 493 O SER A 37 1.983 0.951 -0.888 1.00 0.00 O ATOM 494 CB SER A 37 1.628 -2.345 -1.823 1.00 0.00 C ATOM 495 OG SER A 37 2.374 -1.765 -2.878 1.00 0.00 O ATOM 0 H SER A 37 0.106 0.011 -2.246 1.00 0.00 H new ATOM 0 HA SER A 37 0.757 -1.736 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.263 -3.026 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.811 -2.938 -2.234 1.00 0.00 H new ATOM 0 HG SER A 37 2.724 -2.473 -3.458 1.00 0.00 H new ATOM 501 N THR A 38 3.235 -0.684 0.019 1.00 0.00 N ATOM 502 CA THR A 38 4.337 0.203 0.368 1.00 0.00 C ATOM 503 C THR A 38 5.683 -0.440 0.052 1.00 0.00 C ATOM 504 O THR A 38 5.798 -1.664 0.000 1.00 0.00 O ATOM 505 CB THR A 38 4.301 0.584 1.860 1.00 0.00 C ATOM 506 OG1 THR A 38 4.253 -0.598 2.666 1.00 0.00 O ATOM 507 CG2 THR A 38 3.096 1.461 2.165 1.00 0.00 C ATOM 0 H THR A 38 3.382 -1.660 0.277 1.00 0.00 H new ATOM 0 HA THR A 38 4.218 1.105 -0.233 1.00 0.00 H new ATOM 0 HB THR A 38 5.207 1.145 2.092 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.861 -0.499 3.428 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.091 1.717 3.224 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.150 2.373 1.571 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.182 0.921 1.918 1.00 0.00 H new ATOM 515 N GLU A 39 6.697 0.393 -0.156 1.00 0.00 N ATOM 516 CA GLU A 39 8.035 -0.097 -0.467 1.00 0.00 C ATOM 517 C GLU A 39 8.550 -1.013 0.640 1.00 0.00 C ATOM 518 O GLU A 39 8.967 -2.143 0.382 1.00 0.00 O ATOM 519 CB GLU A 39 8.999 1.075 -0.663 1.00 0.00 C ATOM 520 CG GLU A 39 10.453 0.653 -0.787 1.00 0.00 C ATOM 521 CD GLU A 39 11.326 1.738 -1.388 1.00 0.00 C ATOM 522 OE1 GLU A 39 10.952 2.278 -2.450 1.00 0.00 O ATOM 523 OE2 GLU A 39 12.382 2.046 -0.798 1.00 0.00 O ATOM 0 H GLU A 39 6.618 1.409 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 39 7.978 -0.670 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.711 1.625 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.899 1.761 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.836 0.388 0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.516 -0.243 -1.405 1.00 0.00 H new ATOM 530 N CYS A 40 8.518 -0.518 1.872 1.00 0.00 N ATOM 531 CA CYS A 40 8.981 -1.290 3.019 1.00 0.00 C ATOM 532 C CYS A 40 8.626 -2.766 2.861 1.00 0.00 C ATOM 533 O CYS A 40 9.436 -3.644 3.152 1.00 0.00 O ATOM 534 CB CYS A 40 8.369 -0.742 4.310 1.00 0.00 C ATOM 535 SG CYS A 40 6.611 -1.163 4.536 1.00 0.00 S ATOM 0 H CYS A 40 8.176 0.415 2.102 1.00 0.00 H new ATOM 0 HA CYS A 40 10.066 -1.199 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.935 -1.125 5.159 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.476 0.343 4.318 1.00 0.00 H new ATOM 0 HG CYS A 40 6.459 -1.804 5.657 1.00 0.00 H new ATOM 540 N GLY A 41 7.408 -3.029 2.397 1.00 0.00 N ATOM 541 CA GLY A 41 6.967 -4.399 2.208 1.00 0.00 C ATOM 542 C GLY A 41 5.726 -4.725 3.015 1.00 0.00 C ATOM 543 O GLY A 41 5.523 -5.870 3.420 1.00 0.00 O ATOM 0 H GLY A 41 6.719 -2.319 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.764 -4.570 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.770 -5.079 2.492 1.00 0.00 H new ATOM 547 N HIS A 42 4.894 -3.715 3.252 1.00 0.00 N ATOM 548 CA HIS A 42 3.666 -3.900 4.017 1.00 0.00 C ATOM 549 C HIS A 42 2.441 -3.583 3.165 1.00 0.00 C ATOM 550 O HIS A 42 2.565 -3.137 2.024 1.00 0.00 O ATOM 551 CB HIS A 42 3.678 -3.013 5.262 1.00 0.00 C ATOM 552 CG HIS A 42 4.459 -3.591 6.402 1.00 0.00 C ATOM 553 ND1 HIS A 42 5.359 -2.857 7.146 1.00 0.00 N ATOM 554 CD2 HIS A 42 4.470 -4.839 6.925 1.00 0.00 C ATOM 555 CE1 HIS A 42 5.891 -3.630 8.076 1.00 0.00 C ATOM 556 NE2 HIS A 42 5.368 -4.838 7.964 1.00 0.00 N ATOM 0 H HIS A 42 5.048 -2.761 2.925 1.00 0.00 H new ATOM 0 HA HIS A 42 3.613 -4.945 4.324 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.097 -2.041 5.001 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.651 -2.841 5.586 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.882 -5.680 6.588 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.628 -3.326 8.804 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.594 -5.639 8.553 1.00 0.00 H new ATOM 564 N VAL A 43 1.259 -3.818 3.725 1.00 0.00 N ATOM 565 CA VAL A 43 0.012 -3.558 3.016 1.00 0.00 C ATOM 566 C VAL A 43 -0.825 -2.511 3.743 1.00 0.00 C ATOM 567 O VAL A 43 -0.871 -2.481 4.972 1.00 0.00 O ATOM 568 CB VAL A 43 -0.822 -4.844 2.856 1.00 0.00 C ATOM 569 CG1 VAL A 43 -2.138 -4.543 2.155 1.00 0.00 C ATOM 570 CG2 VAL A 43 -0.032 -5.899 2.096 1.00 0.00 C ATOM 0 H VAL A 43 1.139 -4.188 4.668 1.00 0.00 H new ATOM 0 HA VAL A 43 0.282 -3.183 2.029 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.048 -5.236 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.713 -5.463 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.707 -3.823 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.937 -4.127 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.636 -6.801 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.226 -5.519 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.881 -6.135 2.643 1.00 0.00 H new ATOM 580 N PHE A 44 -1.486 -1.652 2.973 1.00 0.00 N ATOM 581 CA PHE A 44 -2.321 -0.602 3.543 1.00 0.00 C ATOM 582 C PHE A 44 -3.424 -0.196 2.570 1.00 0.00 C ATOM 583 O PHE A 44 -3.374 -0.524 1.384 1.00 0.00 O ATOM 584 CB PHE A 44 -1.470 0.618 3.903 1.00 0.00 C ATOM 585 CG PHE A 44 -0.418 0.330 4.936 1.00 0.00 C ATOM 586 CD1 PHE A 44 -0.719 0.395 6.287 1.00 0.00 C ATOM 587 CD2 PHE A 44 0.872 -0.005 4.556 1.00 0.00 C ATOM 588 CE1 PHE A 44 0.247 0.132 7.239 1.00 0.00 C ATOM 589 CE2 PHE A 44 1.842 -0.269 5.504 1.00 0.00 C ATOM 590 CZ PHE A 44 1.529 -0.202 6.848 1.00 0.00 C ATOM 0 H PHE A 44 -1.459 -1.663 1.953 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.784 -0.993 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.989 0.995 3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.122 1.410 4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.720 0.654 6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.122 -0.060 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.000 0.188 8.289 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.844 -0.527 5.195 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.285 -0.410 7.591 1.00 0.00 H new ATOM 600 N CYS A 45 -4.422 0.519 3.080 1.00 0.00 N ATOM 601 CA CYS A 45 -5.539 0.969 2.259 1.00 0.00 C ATOM 602 C CYS A 45 -5.274 2.363 1.698 1.00 0.00 C ATOM 603 O CYS A 45 -4.414 3.091 2.194 1.00 0.00 O ATOM 604 CB CYS A 45 -6.831 0.973 3.077 1.00 0.00 C ATOM 605 SG CYS A 45 -7.126 -0.563 4.009 1.00 0.00 S ATOM 0 H CYS A 45 -4.479 0.799 4.059 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.648 0.276 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.804 1.809 3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.673 1.145 2.406 1.00 0.00 H new ATOM 0 HG CYS A 45 -6.346 -0.596 5.049 1.00 0.00 H new ATOM 610 N SER A 46 -6.020 2.729 0.660 1.00 0.00 N ATOM 611 CA SER A 46 -5.864 4.034 0.029 1.00 0.00 C ATOM 612 C SER A 46 -5.870 5.147 1.073 1.00 0.00 C ATOM 613 O SER A 46 -4.867 5.830 1.272 1.00 0.00 O ATOM 614 CB SER A 46 -6.981 4.269 -0.990 1.00 0.00 C ATOM 615 OG SER A 46 -6.587 5.212 -1.971 1.00 0.00 O ATOM 0 H SER A 46 -6.738 2.140 0.239 1.00 0.00 H new ATOM 0 HA SER A 46 -4.903 4.048 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.242 3.327 -1.471 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.875 4.624 -0.478 1.00 0.00 H new ATOM 0 HG SER A 46 -7.318 5.343 -2.611 1.00 0.00 H new ATOM 621 N GLN A 47 -7.009 5.321 1.736 1.00 0.00 N ATOM 622 CA GLN A 47 -7.147 6.351 2.759 1.00 0.00 C ATOM 623 C GLN A 47 -6.176 6.108 3.909 1.00 0.00 C ATOM 624 O GLN A 47 -5.270 6.907 4.150 1.00 0.00 O ATOM 625 CB GLN A 47 -8.583 6.387 3.286 1.00 0.00 C ATOM 626 CG GLN A 47 -9.026 7.764 3.751 1.00 0.00 C ATOM 627 CD GLN A 47 -9.410 8.673 2.600 1.00 0.00 C ATOM 628 OE1 GLN A 47 -9.228 8.326 1.433 1.00 0.00 O ATOM 629 NE2 GLN A 47 -9.944 9.845 2.924 1.00 0.00 N ATOM 0 H GLN A 47 -7.849 4.763 1.583 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.910 7.313 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.258 6.043 2.502 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.674 5.686 4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.876 7.660 4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.221 8.227 4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.077 10.091 3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.222 10.499 2.192 1.00 0.00 H new ATOM 638 N CYS A 48 -6.372 5.002 4.619 1.00 0.00 N ATOM 639 CA CYS A 48 -5.514 4.654 5.746 1.00 0.00 C ATOM 640 C CYS A 48 -4.079 5.109 5.498 1.00 0.00 C ATOM 641 O CYS A 48 -3.564 5.982 6.197 1.00 0.00 O ATOM 642 CB CYS A 48 -5.547 3.144 5.991 1.00 0.00 C ATOM 643 SG CYS A 48 -7.210 2.481 6.327 1.00 0.00 S ATOM 0 H CYS A 48 -7.118 4.331 4.434 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.891 5.167 6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.135 2.636 5.119 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.897 2.909 6.834 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.355 1.342 5.717 1.00 0.00 H new ATOM 648 N LEU A 49 -3.439 4.512 4.499 1.00 0.00 N ATOM 649 CA LEU A 49 -2.063 4.856 4.158 1.00 0.00 C ATOM 650 C LEU A 49 -1.898 6.366 4.015 1.00 0.00 C ATOM 651 O LEU A 49 -1.159 6.994 4.774 1.00 0.00 O ATOM 652 CB LEU A 49 -1.650 4.162 2.858 1.00 0.00 C ATOM 653 CG LEU A 49 -0.165 4.234 2.502 1.00 0.00 C ATOM 654 CD1 LEU A 49 0.690 3.826 3.691 1.00 0.00 C ATOM 655 CD2 LEU A 49 0.137 3.354 1.297 1.00 0.00 C ATOM 0 H LEU A 49 -3.851 3.787 3.911 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.418 4.513 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.937 3.113 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.221 4.599 2.039 1.00 0.00 H new ATOM 0 HG LEU A 49 0.078 5.265 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.744 3.884 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.494 4.497 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.446 2.804 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.198 3.417 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.122 2.321 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.449 3.693 0.443 1.00 0.00 H new ATOM 667 N ARG A 50 -2.593 6.942 3.040 1.00 0.00 N ATOM 668 CA ARG A 50 -2.524 8.379 2.799 1.00 0.00 C ATOM 669 C ARG A 50 -2.576 9.153 4.113 1.00 0.00 C ATOM 670 O ARG A 50 -1.918 10.183 4.265 1.00 0.00 O ATOM 671 CB ARG A 50 -3.672 8.820 1.889 1.00 0.00 C ATOM 672 CG ARG A 50 -3.346 10.044 1.048 1.00 0.00 C ATOM 673 CD ARG A 50 -4.552 10.506 0.246 1.00 0.00 C ATOM 674 NE ARG A 50 -5.349 11.490 0.975 1.00 0.00 N ATOM 675 CZ ARG A 50 -5.109 12.796 0.947 1.00 0.00 C ATOM 676 NH1 ARG A 50 -4.101 13.273 0.230 1.00 0.00 N ATOM 677 NH2 ARG A 50 -5.879 13.628 1.636 1.00 0.00 N ATOM 0 H ARG A 50 -3.210 6.437 2.404 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.576 8.595 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.938 7.995 1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.548 9.033 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.007 10.852 1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.524 9.813 0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.217 10.938 -0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.175 9.646 -0.001 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.132 11.156 1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.507 12.637 -0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.919 14.276 0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.656 13.265 2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.694 14.631 1.614 1.00 0.00 H new ATOM 691 N ASP A 51 -3.363 8.652 5.059 1.00 0.00 N ATOM 692 CA ASP A 51 -3.501 9.296 6.360 1.00 0.00 C ATOM 693 C ASP A 51 -2.198 9.211 7.149 1.00 0.00 C ATOM 694 O ASP A 51 -1.776 10.182 7.777 1.00 0.00 O ATOM 695 CB ASP A 51 -4.636 8.649 7.155 1.00 0.00 C ATOM 696 CG ASP A 51 -5.270 9.608 8.143 1.00 0.00 C ATOM 697 OD1 ASP A 51 -5.522 10.770 7.763 1.00 0.00 O ATOM 698 OD2 ASP A 51 -5.513 9.197 9.297 1.00 0.00 O ATOM 0 H ASP A 51 -3.915 7.802 4.949 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.737 10.347 6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.398 8.286 6.465 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.252 7.781 7.691 1.00 0.00 H new ATOM 703 N SER A 52 -1.565 8.043 7.113 1.00 0.00 N ATOM 704 CA SER A 52 -0.312 7.830 7.828 1.00 0.00 C ATOM 705 C SER A 52 0.804 8.686 7.237 1.00 0.00 C ATOM 706 O SER A 52 1.779 9.010 7.916 1.00 0.00 O ATOM 707 CB SER A 52 0.083 6.352 7.779 1.00 0.00 C ATOM 708 OG SER A 52 0.968 6.026 8.836 1.00 0.00 O ATOM 0 H SER A 52 -1.899 7.230 6.596 1.00 0.00 H new ATOM 0 HA SER A 52 -0.461 8.125 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.811 5.731 7.844 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.556 6.130 6.823 1.00 0.00 H new ATOM 0 HG SER A 52 0.457 5.897 9.662 1.00 0.00 H new ATOM 714 N LEU A 53 0.653 9.049 5.968 1.00 0.00 N ATOM 715 CA LEU A 53 1.647 9.868 5.284 1.00 0.00 C ATOM 716 C LEU A 53 1.507 11.335 5.676 1.00 0.00 C ATOM 717 O LEU A 53 2.492 12.002 5.994 1.00 0.00 O ATOM 718 CB LEU A 53 1.505 9.717 3.768 1.00 0.00 C ATOM 719 CG LEU A 53 2.289 8.569 3.132 1.00 0.00 C ATOM 720 CD1 LEU A 53 3.677 8.466 3.745 1.00 0.00 C ATOM 721 CD2 LEU A 53 1.535 7.256 3.289 1.00 0.00 C ATOM 0 H LEU A 53 -0.148 8.789 5.392 1.00 0.00 H new ATOM 0 HA LEU A 53 2.636 9.524 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.449 9.583 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.820 10.649 3.299 1.00 0.00 H new ATOM 0 HG LEU A 53 2.399 8.776 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.220 7.643 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.218 9.398 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.589 8.283 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.108 6.450 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.393 7.043 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.564 7.334 2.801 1.00 0.00 H new ATOM 733 N LYS A 54 0.275 11.833 5.653 1.00 0.00 N ATOM 734 CA LYS A 54 0.004 13.221 6.009 1.00 0.00 C ATOM 735 C LYS A 54 0.140 13.434 7.513 1.00 0.00 C ATOM 736 O LYS A 54 0.359 14.553 7.974 1.00 0.00 O ATOM 737 CB LYS A 54 -1.401 13.621 5.552 1.00 0.00 C ATOM 738 CG LYS A 54 -2.501 12.755 6.140 1.00 0.00 C ATOM 739 CD LYS A 54 -3.837 13.480 6.148 1.00 0.00 C ATOM 740 CE LYS A 54 -4.483 13.475 4.771 1.00 0.00 C ATOM 741 NZ LYS A 54 -3.986 14.592 3.922 1.00 0.00 N ATOM 0 H LYS A 54 -0.552 11.296 5.391 1.00 0.00 H new ATOM 0 HA LYS A 54 0.737 13.849 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.582 14.660 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.449 13.567 4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.589 11.835 5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.235 12.469 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.505 13.005 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.692 14.508 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.279 12.525 4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.565 13.553 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.790 15.059 3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.481 15.281 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.338 14.217 3.200 1.00 0.00 H new ATOM 755 N ASN A 55 0.011 12.351 8.273 1.00 0.00 N ATOM 756 CA ASN A 55 0.120 12.419 9.726 1.00 0.00 C ATOM 757 C ASN A 55 1.487 11.926 10.192 1.00 0.00 C ATOM 758 O ASN A 55 2.303 12.703 10.686 1.00 0.00 O ATOM 759 CB ASN A 55 -0.985 11.589 10.381 1.00 0.00 C ATOM 760 CG ASN A 55 -2.340 12.264 10.300 1.00 0.00 C ATOM 761 OD1 ASN A 55 -2.432 13.473 10.090 1.00 0.00 O ATOM 762 ND2 ASN A 55 -3.401 11.482 10.466 1.00 0.00 N ATOM 0 H ASN A 55 -0.169 11.416 7.907 1.00 0.00 H new ATOM 0 HA ASN A 55 0.007 13.461 10.026 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.038 10.614 9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.732 11.413 11.426 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.339 11.879 10.421 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.277 10.484 10.638 1.00 0.00 H new ATOM 769 N ALA A 56 1.728 10.629 10.030 1.00 0.00 N ATOM 770 CA ALA A 56 2.996 10.032 10.432 1.00 0.00 C ATOM 771 C ALA A 56 4.098 10.358 9.429 1.00 0.00 C ATOM 772 O ALA A 56 3.831 10.879 8.347 1.00 0.00 O ATOM 773 CB ALA A 56 2.846 8.526 10.583 1.00 0.00 C ATOM 0 H ALA A 56 1.062 9.972 9.623 1.00 0.00 H new ATOM 0 HA ALA A 56 3.280 10.456 11.395 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.800 8.094 10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.094 8.310 11.342 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.535 8.094 9.632 1.00 0.00 H new ATOM 779 N ASN A 57 5.337 10.047 9.796 1.00 0.00 N ATOM 780 CA ASN A 57 6.480 10.308 8.929 1.00 0.00 C ATOM 781 C ASN A 57 6.857 9.060 8.136 1.00 0.00 C ATOM 782 O ASN A 57 7.169 9.136 6.947 1.00 0.00 O ATOM 783 CB ASN A 57 7.677 10.782 9.756 1.00 0.00 C ATOM 784 CG ASN A 57 7.301 11.866 10.747 1.00 0.00 C ATOM 785 OD1 ASN A 57 7.506 13.053 10.493 1.00 0.00 O ATOM 786 ND2 ASN A 57 6.749 11.462 11.885 1.00 0.00 N ATOM 0 H ASN A 57 5.575 9.614 10.688 1.00 0.00 H new ATOM 0 HA ASN A 57 6.200 11.093 8.226 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.103 9.934 10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.452 11.157 9.087 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.476 12.146 12.591 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.598 10.467 12.054 1.00 0.00 H new ATOM 793 N THR A 58 6.826 7.910 8.803 1.00 0.00 N ATOM 794 CA THR A 58 7.165 6.646 8.162 1.00 0.00 C ATOM 795 C THR A 58 6.073 5.606 8.386 1.00 0.00 C ATOM 796 O THR A 58 5.123 5.840 9.134 1.00 0.00 O ATOM 797 CB THR A 58 8.503 6.091 8.688 1.00 0.00 C ATOM 798 OG1 THR A 58 8.514 6.113 10.119 1.00 0.00 O ATOM 799 CG2 THR A 58 9.673 6.903 8.153 1.00 0.00 C ATOM 0 H THR A 58 6.570 7.829 9.787 1.00 0.00 H new ATOM 0 HA THR A 58 7.258 6.847 7.095 1.00 0.00 H new ATOM 0 HB THR A 58 8.606 5.063 8.341 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.420 5.926 10.442 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.607 6.493 8.538 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.679 6.859 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.573 7.940 8.474 1.00 0.00 H new ATOM 807 N CYS A 59 6.215 4.456 7.735 1.00 0.00 N ATOM 808 CA CYS A 59 5.241 3.379 7.863 1.00 0.00 C ATOM 809 C CYS A 59 4.805 3.210 9.316 1.00 0.00 C ATOM 810 O CYS A 59 5.623 3.171 10.235 1.00 0.00 O ATOM 811 CB CYS A 59 5.829 2.067 7.339 1.00 0.00 C ATOM 812 SG CYS A 59 4.624 0.704 7.231 1.00 0.00 S ATOM 0 H CYS A 59 6.996 4.246 7.113 1.00 0.00 H new ATOM 0 HA CYS A 59 4.366 3.641 7.268 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.255 2.241 6.351 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.649 1.763 7.990 1.00 0.00 H new ATOM 0 HG CYS A 59 3.715 0.997 6.349 1.00 0.00 H new ATOM 817 N PRO A 60 3.485 3.106 9.529 1.00 0.00 N ATOM 818 CA PRO A 60 2.910 2.938 10.867 1.00 0.00 C ATOM 819 C PRO A 60 3.213 1.566 11.460 1.00 0.00 C ATOM 820 O PRO A 60 2.753 1.235 12.553 1.00 0.00 O ATOM 821 CB PRO A 60 1.406 3.097 10.629 1.00 0.00 C ATOM 822 CG PRO A 60 1.205 2.715 9.203 1.00 0.00 C ATOM 823 CD PRO A 60 2.452 3.143 8.480 1.00 0.00 C ATOM 0 HA PRO A 60 3.321 3.653 11.580 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.830 2.455 11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.082 4.121 10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.046 1.641 9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.325 3.206 8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 60 2.691 2.469 7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.347 4.141 8.054 1.00 0.00 H new ATOM 831 N THR A 61 3.991 0.770 10.733 1.00 0.00 N ATOM 832 CA THR A 61 4.355 -0.566 11.187 1.00 0.00 C ATOM 833 C THR A 61 5.853 -0.668 11.449 1.00 0.00 C ATOM 834 O THR A 61 6.286 -0.800 12.594 1.00 0.00 O ATOM 835 CB THR A 61 3.950 -1.638 10.158 1.00 0.00 C ATOM 836 OG1 THR A 61 2.582 -1.459 9.775 1.00 0.00 O ATOM 837 CG2 THR A 61 4.144 -3.035 10.728 1.00 0.00 C ATOM 0 H THR A 61 4.381 1.028 9.827 1.00 0.00 H new ATOM 0 HA THR A 61 3.814 -0.743 12.117 1.00 0.00 H new ATOM 0 HB THR A 61 4.589 -1.528 9.282 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.334 -2.144 9.119 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.852 -3.776 9.984 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.192 -3.179 10.990 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.527 -3.153 11.619 1.00 0.00 H new ATOM 845 N CYS A 62 6.641 -0.607 10.381 1.00 0.00 N ATOM 846 CA CYS A 62 8.092 -0.692 10.494 1.00 0.00 C ATOM 847 C CYS A 62 8.694 0.673 10.812 1.00 0.00 C ATOM 848 O CYS A 62 9.718 0.769 11.490 1.00 0.00 O ATOM 849 CB CYS A 62 8.695 -1.239 9.199 1.00 0.00 C ATOM 850 SG CYS A 62 8.102 -0.404 7.692 1.00 0.00 S ATOM 0 H CYS A 62 6.299 -0.499 9.426 1.00 0.00 H new ATOM 0 HA CYS A 62 8.328 -1.373 11.312 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.780 -1.148 9.249 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.468 -2.302 9.126 1.00 0.00 H new ATOM 0 HG CYS A 62 6.806 -0.305 7.732 1.00 0.00 H new ATOM 855 N ARG A 63 8.052 1.726 10.317 1.00 0.00 N ATOM 856 CA ARG A 63 8.524 3.086 10.547 1.00 0.00 C ATOM 857 C ARG A 63 9.808 3.355 9.768 1.00 0.00 C ATOM 858 O ARG A 63 10.749 3.955 10.288 1.00 0.00 O ATOM 859 CB ARG A 63 8.763 3.321 12.040 1.00 0.00 C ATOM 860 CG ARG A 63 7.623 2.838 12.922 1.00 0.00 C ATOM 861 CD ARG A 63 7.509 3.670 14.190 1.00 0.00 C ATOM 862 NE ARG A 63 8.319 3.125 15.276 1.00 0.00 N ATOM 863 CZ ARG A 63 8.083 3.366 16.561 1.00 0.00 C ATOM 864 NH1 ARG A 63 7.066 4.138 16.918 1.00 0.00 N ATOM 865 NH2 ARG A 63 8.866 2.835 17.492 1.00 0.00 N ATOM 0 H ARG A 63 7.204 1.663 9.754 1.00 0.00 H new ATOM 0 HA ARG A 63 7.755 3.774 10.196 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.681 2.814 12.337 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.918 4.386 12.211 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.686 2.888 12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.783 1.792 13.185 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.823 4.693 13.982 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.466 3.714 14.502 1.00 0.00 H new ATOM 0 HE ARG A 63 9.109 2.527 15.035 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.463 4.548 16.205 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.887 4.321 17.905 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.650 2.241 17.221 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.684 3.021 18.478 1.00 0.00 H new ATOM 879 N LYS A 64 9.841 2.906 8.518 1.00 0.00 N ATOM 880 CA LYS A 64 11.008 3.098 7.665 1.00 0.00 C ATOM 881 C LYS A 64 10.773 4.227 6.667 1.00 0.00 C ATOM 882 O LYS A 64 9.634 4.525 6.307 1.00 0.00 O ATOM 883 CB LYS A 64 11.337 1.803 6.918 1.00 0.00 C ATOM 884 CG LYS A 64 12.462 1.953 5.908 1.00 0.00 C ATOM 885 CD LYS A 64 12.613 0.707 5.053 1.00 0.00 C ATOM 886 CE LYS A 64 13.249 1.027 3.709 1.00 0.00 C ATOM 887 NZ LYS A 64 12.229 1.372 2.680 1.00 0.00 N ATOM 0 H LYS A 64 9.072 2.406 8.073 1.00 0.00 H new ATOM 0 HA LYS A 64 11.851 3.369 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.610 1.035 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.442 1.453 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.265 2.813 5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.397 2.152 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.224 -0.026 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.635 0.252 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.944 1.859 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.832 0.170 3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.703 1.583 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.581 0.569 2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.690 2.205 2.991 1.00 0.00 H new ATOM 901 N LYS A 65 11.858 4.852 6.223 1.00 0.00 N ATOM 902 CA LYS A 65 11.771 5.948 5.264 1.00 0.00 C ATOM 903 C LYS A 65 10.911 5.556 4.067 1.00 0.00 C ATOM 904 O LYS A 65 11.321 4.748 3.234 1.00 0.00 O ATOM 905 CB LYS A 65 13.170 6.350 4.790 1.00 0.00 C ATOM 906 CG LYS A 65 13.859 7.345 5.707 1.00 0.00 C ATOM 907 CD LYS A 65 13.215 8.719 5.624 1.00 0.00 C ATOM 908 CE LYS A 65 13.599 9.438 4.339 1.00 0.00 C ATOM 909 NZ LYS A 65 14.882 10.180 4.482 1.00 0.00 N ATOM 0 H LYS A 65 12.808 4.619 6.512 1.00 0.00 H new ATOM 0 HA LYS A 65 11.304 6.798 5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.788 5.456 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.097 6.780 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.817 6.984 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.913 7.419 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.131 8.618 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.520 9.318 6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.687 8.713 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.807 10.133 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.109 10.656 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.791 10.889 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.643 9.514 4.723 1.00 0.00 H new ATOM 923 N ILE A 66 9.717 6.135 3.988 1.00 0.00 N ATOM 924 CA ILE A 66 8.801 5.848 2.891 1.00 0.00 C ATOM 925 C ILE A 66 8.199 7.130 2.328 1.00 0.00 C ATOM 926 O ILE A 66 7.567 7.901 3.049 1.00 0.00 O ATOM 927 CB ILE A 66 7.662 4.913 3.339 1.00 0.00 C ATOM 928 CG1 ILE A 66 7.053 5.409 4.652 1.00 0.00 C ATOM 929 CG2 ILE A 66 8.175 3.489 3.492 1.00 0.00 C ATOM 930 CD1 ILE A 66 5.666 4.866 4.918 1.00 0.00 C ATOM 0 H ILE A 66 9.362 6.805 4.670 1.00 0.00 H new ATOM 0 HA ILE A 66 9.384 5.352 2.115 1.00 0.00 H new ATOM 0 HB ILE A 66 6.885 4.918 2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.709 5.128 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.011 6.498 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.359 2.840 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.567 3.139 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.968 3.466 4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.297 5.259 5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.996 5.169 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.705 3.778 4.968 1.00 0.00 H new