USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 463 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 46 CYS SG : rot -110:sc= -6.65! USER MOD Set 1.2: A 67 THR OG1 : rot -53:sc= -0.588 USER MOD Set 1.3: A 70 SER OG : rot 91:sc= 1.64 USER MOD Single : A 15 MET CE :methyl -121:sc= -1.18 (180deg=-3.99!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -118:sc= -6.16! (180deg=-10.9!) USER MOD Single : A 36 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.013) USER MOD Single : A 42 GLN : amide:sc= -0.0624 X(o=-0.062,f=-0.46) USER MOD Single : A 44 SER OG : rot 109:sc= -5.37! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 150:sc= 0.493 USER MOD Single : A 62 CYS SG : rot 47:sc= -3.55! USER MOD Single : A 63 MET CE :methyl 158:sc= -0.934 (180deg=-1.29) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 73 SER OG : rot 82:sc= 1.01 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -3.96! C(o=-4!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.188 -9.046 8.552 1.00 0.00 N ATOM 186 CA MET A 15 8.005 -7.852 8.685 1.00 0.00 C ATOM 187 C MET A 15 7.206 -6.598 8.323 1.00 0.00 C ATOM 188 O MET A 15 6.125 -6.693 7.743 1.00 0.00 O ATOM 189 CB MET A 15 9.225 -7.962 7.769 1.00 0.00 C ATOM 190 CG MET A 15 8.801 -8.141 6.310 1.00 0.00 C ATOM 191 SD MET A 15 9.967 -7.327 5.231 1.00 0.00 S ATOM 192 CE MET A 15 9.244 -5.696 5.169 1.00 0.00 C ATOM 0 HA MET A 15 8.326 -7.769 9.723 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.839 -7.066 7.866 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.842 -8.806 8.078 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.747 -9.202 6.066 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.804 -7.728 6.159 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.005 -5.443 4.136 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.333 -5.679 5.766 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.952 -4.969 5.567 1.00 0.00 H new ATOM 202 N THR A 16 7.768 -5.453 8.680 1.00 0.00 N ATOM 203 CA THR A 16 7.122 -4.182 8.399 1.00 0.00 C ATOM 204 C THR A 16 8.059 -3.271 7.605 1.00 0.00 C ATOM 205 O THR A 16 9.252 -3.198 7.894 1.00 0.00 O ATOM 206 CB THR A 16 6.670 -3.578 9.730 1.00 0.00 C ATOM 207 OG1 THR A 16 5.650 -4.463 10.185 1.00 0.00 O ATOM 208 CG2 THR A 16 5.950 -2.240 9.551 1.00 0.00 C ATOM 0 H THR A 16 8.664 -5.379 9.162 1.00 0.00 H new ATOM 0 HA THR A 16 6.242 -4.316 7.770 1.00 0.00 H new ATOM 0 HB THR A 16 7.535 -3.441 10.378 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.302 -4.147 11.045 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.650 -1.855 10.526 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.620 -1.528 9.070 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.066 -2.383 8.930 1.00 0.00 H new ATOM 216 N GLU A 17 7.484 -2.599 6.619 1.00 0.00 N ATOM 217 CA GLU A 17 8.253 -1.695 5.781 1.00 0.00 C ATOM 218 C GLU A 17 7.543 -0.344 5.666 1.00 0.00 C ATOM 219 O GLU A 17 6.315 -0.283 5.651 1.00 0.00 O ATOM 220 CB GLU A 17 8.499 -2.304 4.399 1.00 0.00 C ATOM 221 CG GLU A 17 9.327 -1.361 3.523 1.00 0.00 C ATOM 222 CD GLU A 17 10.812 -1.442 3.883 1.00 0.00 C ATOM 223 OE1 GLU A 17 11.499 -2.288 3.271 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.226 -0.655 4.761 1.00 0.00 O ATOM 0 H GLU A 17 6.494 -2.662 6.381 1.00 0.00 H new ATOM 0 HA GLU A 17 9.224 -1.535 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.018 -3.257 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.545 -2.512 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.189 -1.619 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.974 -0.338 3.649 1.00 0.00 H new ATOM 231 N GLU A 18 8.348 0.706 5.587 1.00 0.00 N ATOM 232 CA GLU A 18 7.812 2.052 5.474 1.00 0.00 C ATOM 233 C GLU A 18 7.949 2.559 4.036 1.00 0.00 C ATOM 234 O GLU A 18 9.049 2.882 3.591 1.00 0.00 O ATOM 235 CB GLU A 18 8.500 3.000 6.457 1.00 0.00 C ATOM 236 CG GLU A 18 7.897 4.404 6.378 1.00 0.00 C ATOM 237 CD GLU A 18 8.098 5.162 7.692 1.00 0.00 C ATOM 238 OE1 GLU A 18 9.227 5.085 8.224 1.00 0.00 O ATOM 239 OE2 GLU A 18 7.119 5.801 8.134 1.00 0.00 O ATOM 0 H GLU A 18 9.366 0.652 5.599 1.00 0.00 H new ATOM 0 HA GLU A 18 6.753 2.023 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.399 2.614 7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.567 3.046 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.360 4.957 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.833 4.334 6.153 1.00 0.00 H new ATOM 246 N TYR A 19 6.816 2.612 3.351 1.00 0.00 N ATOM 247 CA TYR A 19 6.796 3.074 1.973 1.00 0.00 C ATOM 248 C TYR A 19 6.002 4.375 1.843 1.00 0.00 C ATOM 249 O TYR A 19 4.847 4.446 2.260 1.00 0.00 O ATOM 250 CB TYR A 19 6.091 1.977 1.172 1.00 0.00 C ATOM 251 CG TYR A 19 6.250 2.116 -0.344 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.485 1.924 -0.929 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.157 2.432 -1.126 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.634 2.054 -2.355 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.306 2.562 -2.552 1.00 0.00 C ATOM 256 CZ TYR A 19 6.537 2.367 -3.097 1.00 0.00 C ATOM 257 OH TYR A 19 6.678 2.490 -4.444 1.00 0.00 O ATOM 0 H TYR A 19 5.906 2.343 3.724 1.00 0.00 H new ATOM 0 HA TYR A 19 7.808 3.267 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.481 1.007 1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.029 1.986 1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.340 1.676 -0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.190 2.582 -0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.595 1.906 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.459 2.809 -3.175 1.00 0.00 H new ATOM 0 HH TYR A 19 5.812 2.715 -4.844 1.00 0.00 H new ATOM 267 N LYS A 20 6.653 5.372 1.262 1.00 0.00 N ATOM 268 CA LYS A 20 6.022 6.667 1.071 1.00 0.00 C ATOM 269 C LYS A 20 5.444 6.745 -0.343 1.00 0.00 C ATOM 270 O LYS A 20 5.964 6.119 -1.265 1.00 0.00 O ATOM 271 CB LYS A 20 7.003 7.794 1.398 1.00 0.00 C ATOM 272 CG LYS A 20 7.066 8.048 2.905 1.00 0.00 C ATOM 273 CD LYS A 20 7.147 9.546 3.206 1.00 0.00 C ATOM 274 CE LYS A 20 8.294 9.849 4.171 1.00 0.00 C ATOM 275 NZ LYS A 20 9.468 10.369 3.434 1.00 0.00 N ATOM 0 H LYS A 20 7.611 5.309 0.917 1.00 0.00 H new ATOM 0 HA LYS A 20 5.189 6.790 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.995 7.536 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.698 8.706 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.185 7.624 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.934 7.541 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.291 10.100 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.205 9.886 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.970 10.579 4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.569 8.945 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.238 10.570 4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.786 9.660 2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.206 11.244 2.936 1.00 0.00 H new ATOM 289 N VAL A 21 4.376 7.518 -0.470 1.00 0.00 N ATOM 290 CA VAL A 21 3.722 7.686 -1.757 1.00 0.00 C ATOM 291 C VAL A 21 3.209 9.122 -1.880 1.00 0.00 C ATOM 292 O VAL A 21 3.063 9.821 -0.879 1.00 0.00 O ATOM 293 CB VAL A 21 2.617 6.640 -1.922 1.00 0.00 C ATOM 294 CG1 VAL A 21 3.185 5.321 -2.449 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.863 6.427 -0.609 1.00 0.00 C ATOM 0 H VAL A 21 3.947 8.035 0.297 1.00 0.00 H new ATOM 0 HA VAL A 21 4.430 7.523 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 21 1.907 7.016 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.379 4.595 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.655 5.489 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.926 4.938 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.084 5.679 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.557 6.083 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.410 7.367 -0.293 1.00 0.00 H new ATOM 305 N PRO A 22 2.943 9.530 -3.150 1.00 0.00 N ATOM 306 CA PRO A 22 2.450 10.871 -3.418 1.00 0.00 C ATOM 307 C PRO A 22 0.976 11.000 -3.030 1.00 0.00 C ATOM 308 O PRO A 22 0.122 10.311 -3.587 1.00 0.00 O ATOM 309 CB PRO A 22 2.696 11.092 -4.901 1.00 0.00 C ATOM 310 CG PRO A 22 2.887 9.709 -5.503 1.00 0.00 C ATOM 311 CD PRO A 22 3.105 8.730 -4.360 1.00 0.00 C ATOM 0 HA PRO A 22 2.958 11.632 -2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.854 11.607 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.577 11.713 -5.062 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.013 9.424 -6.089 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.741 9.702 -6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.383 7.914 -4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.097 8.280 -4.408 1.00 0.00 H new ATOM 319 N ASP A 23 0.722 11.887 -2.079 1.00 0.00 N ATOM 320 CA ASP A 23 -0.634 12.115 -1.611 1.00 0.00 C ATOM 321 C ASP A 23 -1.534 12.436 -2.806 1.00 0.00 C ATOM 322 O ASP A 23 -2.753 12.290 -2.727 1.00 0.00 O ATOM 323 CB ASP A 23 -0.691 13.299 -0.644 1.00 0.00 C ATOM 324 CG ASP A 23 -2.082 13.905 -0.445 1.00 0.00 C ATOM 325 OD1 ASP A 23 -2.911 13.225 0.198 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.286 15.034 -0.941 1.00 0.00 O ATOM 0 H ASP A 23 1.433 12.456 -1.620 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.970 11.214 -1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.310 12.976 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.020 14.078 -1.007 1.00 0.00 H new ATOM 331 N GLY A 24 -0.899 12.869 -3.885 1.00 0.00 N ATOM 332 CA GLY A 24 -1.627 13.213 -5.095 1.00 0.00 C ATOM 333 C GLY A 24 -2.024 11.956 -5.872 1.00 0.00 C ATOM 334 O GLY A 24 -2.690 12.043 -6.902 1.00 0.00 O ATOM 0 H GLY A 24 0.112 12.990 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.520 13.783 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.011 13.855 -5.725 1.00 0.00 H new ATOM 338 N MET A 25 -1.598 10.816 -5.348 1.00 0.00 N ATOM 339 CA MET A 25 -1.900 9.543 -5.979 1.00 0.00 C ATOM 340 C MET A 25 -2.581 8.590 -4.994 1.00 0.00 C ATOM 341 O MET A 25 -3.570 7.943 -5.333 1.00 0.00 O ATOM 342 CB MET A 25 -0.607 8.907 -6.493 1.00 0.00 C ATOM 343 CG MET A 25 -0.047 9.689 -7.683 1.00 0.00 C ATOM 344 SD MET A 25 -1.194 9.627 -9.049 1.00 0.00 S ATOM 345 CE MET A 25 -1.040 7.908 -9.505 1.00 0.00 C ATOM 0 H MET A 25 -1.046 10.748 -4.493 1.00 0.00 H new ATOM 0 HA MET A 25 -2.581 9.725 -6.810 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.132 8.878 -5.692 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.797 7.875 -6.788 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.133 10.725 -7.396 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.913 9.270 -7.984 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.660 7.835 -10.524 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.350 7.411 -8.823 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.016 7.427 -9.446 1.00 0.00 H new ATOM 355 N VAL A 26 -2.024 8.535 -3.793 1.00 0.00 N ATOM 356 CA VAL A 26 -2.564 7.672 -2.756 1.00 0.00 C ATOM 357 C VAL A 26 -4.090 7.792 -2.744 1.00 0.00 C ATOM 358 O VAL A 26 -4.795 6.784 -2.755 1.00 0.00 O ATOM 359 CB VAL A 26 -1.927 8.013 -1.407 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.637 9.197 -0.749 1.00 0.00 C ATOM 361 CG2 VAL A 26 -1.920 6.795 -0.482 1.00 0.00 C ATOM 0 H VAL A 26 -1.204 9.074 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.321 6.629 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.892 8.303 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.165 9.418 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.567 10.070 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.686 8.948 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.462 7.064 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.944 6.462 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.349 5.990 -0.945 1.00 0.00 H new ATOM 371 N GLY A 27 -4.554 9.032 -2.720 1.00 0.00 N ATOM 372 CA GLY A 27 -5.983 9.297 -2.706 1.00 0.00 C ATOM 373 C GLY A 27 -6.708 8.445 -3.750 1.00 0.00 C ATOM 374 O GLY A 27 -7.861 8.063 -3.553 1.00 0.00 O ATOM 0 H GLY A 27 -3.966 9.865 -2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.386 9.086 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.163 10.354 -2.905 1.00 0.00 H new ATOM 378 N PHE A 28 -6.003 8.172 -4.838 1.00 0.00 N ATOM 379 CA PHE A 28 -6.566 7.373 -5.913 1.00 0.00 C ATOM 380 C PHE A 28 -6.191 5.898 -5.754 1.00 0.00 C ATOM 381 O PHE A 28 -6.876 5.020 -6.276 1.00 0.00 O ATOM 382 CB PHE A 28 -5.970 7.899 -7.221 1.00 0.00 C ATOM 383 CG PHE A 28 -5.906 6.858 -8.339 1.00 0.00 C ATOM 384 CD1 PHE A 28 -7.004 6.112 -8.638 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.752 6.678 -9.036 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.944 5.145 -9.676 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.693 5.711 -10.074 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.790 4.965 -10.372 1.00 0.00 C ATOM 0 H PHE A 28 -5.047 8.490 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.653 7.448 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.562 8.748 -7.563 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.964 8.270 -7.026 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.921 6.255 -8.086 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.881 7.271 -8.800 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.815 4.552 -9.913 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.776 5.568 -10.627 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.745 4.229 -11.162 1.00 0.00 H new ATOM 398 N ILE A 29 -5.105 5.672 -5.030 1.00 0.00 N ATOM 399 CA ILE A 29 -4.631 4.318 -4.795 1.00 0.00 C ATOM 400 C ILE A 29 -5.666 3.557 -3.964 1.00 0.00 C ATOM 401 O ILE A 29 -5.868 2.360 -4.163 1.00 0.00 O ATOM 402 CB ILE A 29 -3.235 4.341 -4.168 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.230 5.029 -5.094 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.785 2.930 -3.781 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.793 4.727 -4.664 1.00 0.00 C ATOM 0 H ILE A 29 -4.540 6.403 -4.598 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.523 3.783 -5.738 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.282 4.928 -3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.385 4.693 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.398 6.106 -5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.790 2.974 -3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.485 2.510 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.759 2.300 -4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.099 5.228 -5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.634 5.086 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.621 3.651 -4.699 1.00 0.00 H new ATOM 417 N ILE A 30 -6.293 4.283 -3.050 1.00 0.00 N ATOM 418 CA ILE A 30 -7.302 3.691 -2.188 1.00 0.00 C ATOM 419 C ILE A 30 -8.449 3.153 -3.047 1.00 0.00 C ATOM 420 O ILE A 30 -8.756 1.963 -3.004 1.00 0.00 O ATOM 421 CB ILE A 30 -7.750 4.692 -1.122 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.547 5.402 -0.497 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.627 4.014 -0.067 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.567 6.898 -0.817 1.00 0.00 C ATOM 0 H ILE A 30 -6.122 5.275 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.887 2.844 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.360 5.456 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.556 5.257 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.624 4.959 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.932 4.748 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.512 3.593 -0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.063 3.217 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.702 7.379 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.534 7.039 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.480 7.343 -0.421 1.00 0.00 H new ATOM 436 N GLY A 31 -9.050 4.056 -3.807 1.00 0.00 N ATOM 437 CA GLY A 31 -10.156 3.688 -4.675 1.00 0.00 C ATOM 438 C GLY A 31 -11.481 4.229 -4.134 1.00 0.00 C ATOM 439 O GLY A 31 -11.563 4.636 -2.977 1.00 0.00 O ATOM 0 H GLY A 31 -8.792 5.042 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.982 4.079 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.210 2.603 -4.761 1.00 0.00 H new ATOM 481 N GLU A 35 -11.346 -0.175 -2.892 1.00 0.00 N ATOM 482 CA GLU A 35 -11.211 -1.447 -3.581 1.00 0.00 C ATOM 483 C GLU A 35 -9.975 -1.433 -4.483 1.00 0.00 C ATOM 484 O GLU A 35 -9.439 -2.487 -4.823 1.00 0.00 O ATOM 485 CB GLU A 35 -12.472 -1.773 -4.383 1.00 0.00 C ATOM 486 CG GLU A 35 -12.692 -0.750 -5.499 1.00 0.00 C ATOM 487 CD GLU A 35 -13.298 -1.412 -6.738 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.464 -1.850 -6.635 1.00 0.00 O ATOM 489 OE2 GLU A 35 -12.581 -1.464 -7.761 1.00 0.00 O ATOM 0 HA GLU A 35 -11.083 -2.231 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.387 -2.771 -4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.337 -1.784 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.352 0.042 -5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.743 -0.282 -5.760 1.00 0.00 H new ATOM 496 N GLN A 36 -9.560 -0.228 -4.845 1.00 0.00 N ATOM 497 CA GLN A 36 -8.398 -0.064 -5.702 1.00 0.00 C ATOM 498 C GLN A 36 -7.159 -0.668 -5.038 1.00 0.00 C ATOM 499 O GLN A 36 -6.328 -1.280 -5.707 1.00 0.00 O ATOM 500 CB GLN A 36 -8.173 1.411 -6.043 1.00 0.00 C ATOM 501 CG GLN A 36 -6.939 1.586 -6.931 1.00 0.00 C ATOM 502 CD GLN A 36 -7.336 1.703 -8.404 1.00 0.00 C ATOM 503 OE1 GLN A 36 -8.503 1.742 -8.758 1.00 0.00 O ATOM 504 NE2 GLN A 36 -6.304 1.757 -9.240 1.00 0.00 N ATOM 0 H GLN A 36 -10.007 0.644 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.581 -0.596 -6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.051 1.808 -6.552 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.049 1.986 -5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.391 2.478 -6.626 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.267 0.738 -6.798 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.351 1.720 -8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.465 1.836 -10.244 1.00 0.00 H new ATOM 513 N ILE A 37 -7.075 -0.476 -3.729 1.00 0.00 N ATOM 514 CA ILE A 37 -5.952 -0.994 -2.967 1.00 0.00 C ATOM 515 C ILE A 37 -6.156 -2.490 -2.719 1.00 0.00 C ATOM 516 O ILE A 37 -5.232 -3.283 -2.890 1.00 0.00 O ATOM 517 CB ILE A 37 -5.751 -0.180 -1.687 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.407 -0.507 -1.035 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.921 -0.381 -0.722 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.262 0.220 -1.743 1.00 0.00 C ATOM 0 H ILE A 37 -7.767 0.031 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.027 -0.888 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.730 0.877 -1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.430 -0.220 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.235 -1.583 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.754 0.208 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.846 -0.059 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.997 -1.436 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.318 -0.030 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.227 -0.087 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.424 1.296 -1.687 1.00 0.00 H new ATOM 532 N SER A 38 -7.373 -2.830 -2.321 1.00 0.00 N ATOM 533 CA SER A 38 -7.711 -4.217 -2.048 1.00 0.00 C ATOM 534 C SER A 38 -7.156 -5.118 -3.153 1.00 0.00 C ATOM 535 O SER A 38 -6.592 -6.175 -2.872 1.00 0.00 O ATOM 536 CB SER A 38 -9.224 -4.401 -1.923 1.00 0.00 C ATOM 537 OG SER A 38 -9.567 -5.699 -1.446 1.00 0.00 O ATOM 0 H SER A 38 -8.137 -2.169 -2.181 1.00 0.00 H new ATOM 0 HA SER A 38 -7.259 -4.498 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.626 -3.648 -1.245 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.690 -4.237 -2.894 1.00 0.00 H new ATOM 0 HG SER A 38 -10.542 -5.776 -1.379 1.00 0.00 H new ATOM 543 N ARG A 39 -7.335 -4.667 -4.386 1.00 0.00 N ATOM 544 CA ARG A 39 -6.859 -5.419 -5.534 1.00 0.00 C ATOM 545 C ARG A 39 -5.338 -5.573 -5.475 1.00 0.00 C ATOM 546 O ARG A 39 -4.799 -6.610 -5.859 1.00 0.00 O ATOM 547 CB ARG A 39 -7.244 -4.728 -6.843 1.00 0.00 C ATOM 548 CG ARG A 39 -8.004 -5.684 -7.765 1.00 0.00 C ATOM 549 CD ARG A 39 -9.259 -5.017 -8.332 1.00 0.00 C ATOM 550 NE ARG A 39 -10.465 -5.559 -7.665 1.00 0.00 N ATOM 551 CZ ARG A 39 -10.820 -6.850 -7.689 1.00 0.00 C ATOM 552 NH1 ARG A 39 -10.065 -7.741 -8.346 1.00 0.00 N ATOM 553 NH2 ARG A 39 -11.931 -7.252 -7.056 1.00 0.00 N ATOM 0 H ARG A 39 -7.803 -3.790 -4.615 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.328 -6.402 -5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.861 -3.855 -6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.346 -4.368 -7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.355 -6.000 -8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.283 -6.582 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.206 -3.938 -8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.319 -5.190 -9.407 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.063 -4.908 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.219 -7.436 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.336 -8.724 -8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.506 -6.574 -6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.201 -8.235 -7.075 1.00 0.00 H new ATOM 567 N ILE A 40 -4.688 -4.525 -4.989 1.00 0.00 N ATOM 568 CA ILE A 40 -3.239 -4.531 -4.875 1.00 0.00 C ATOM 569 C ILE A 40 -2.827 -5.447 -3.721 1.00 0.00 C ATOM 570 O ILE A 40 -1.808 -6.132 -3.801 1.00 0.00 O ATOM 571 CB ILE A 40 -2.706 -3.103 -4.746 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.305 -2.195 -5.823 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.177 -3.084 -4.767 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.981 -0.726 -5.544 1.00 0.00 C ATOM 0 H ILE A 40 -5.138 -3.667 -4.670 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.787 -4.935 -5.781 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.019 -2.708 -3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.915 -2.478 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.386 -2.332 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.825 -2.057 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.794 -3.676 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.821 -3.506 -5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.418 -0.103 -6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.394 -0.440 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.900 -0.588 -5.532 1.00 0.00 H new ATOM 586 N GLN A 41 -3.639 -5.430 -2.674 1.00 0.00 N ATOM 587 CA GLN A 41 -3.372 -6.251 -1.506 1.00 0.00 C ATOM 588 C GLN A 41 -3.599 -7.729 -1.831 1.00 0.00 C ATOM 589 O GLN A 41 -2.887 -8.596 -1.326 1.00 0.00 O ATOM 590 CB GLN A 41 -4.232 -5.812 -0.319 1.00 0.00 C ATOM 591 CG GLN A 41 -3.619 -4.600 0.385 1.00 0.00 C ATOM 592 CD GLN A 41 -4.386 -4.263 1.665 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.445 -5.037 2.606 1.00 0.00 O ATOM 594 NE2 GLN A 41 -4.969 -3.068 1.648 1.00 0.00 N ATOM 0 H GLN A 41 -4.483 -4.860 -2.611 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.327 -6.118 -1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.236 -5.567 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.330 -6.636 0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.576 -4.804 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.630 -3.741 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.880 -2.469 0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.505 -2.751 2.456 1.00 0.00 H new ATOM 603 N GLN A 42 -4.593 -7.970 -2.673 1.00 0.00 N ATOM 604 CA GLN A 42 -4.923 -9.328 -3.072 1.00 0.00 C ATOM 605 C GLN A 42 -4.015 -9.780 -4.218 1.00 0.00 C ATOM 606 O GLN A 42 -3.735 -10.969 -4.361 1.00 0.00 O ATOM 607 CB GLN A 42 -6.397 -9.441 -3.464 1.00 0.00 C ATOM 608 CG GLN A 42 -7.298 -9.387 -2.229 1.00 0.00 C ATOM 609 CD GLN A 42 -8.250 -10.584 -2.191 1.00 0.00 C ATOM 610 OE1 GLN A 42 -7.887 -11.708 -2.498 1.00 0.00 O ATOM 611 NE2 GLN A 42 -9.484 -10.282 -1.797 1.00 0.00 N ATOM 0 H GLN A 42 -5.181 -7.248 -3.090 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.756 -9.987 -2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.659 -8.632 -4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.564 -10.375 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.685 -9.377 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.873 -8.461 -2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.721 -9.320 -1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.193 -11.012 -1.737 1.00 0.00 H new ATOM 620 N GLU A 43 -3.580 -8.806 -5.005 1.00 0.00 N ATOM 621 CA GLU A 43 -2.709 -9.089 -6.133 1.00 0.00 C ATOM 622 C GLU A 43 -1.306 -9.453 -5.643 1.00 0.00 C ATOM 623 O GLU A 43 -0.709 -10.417 -6.120 1.00 0.00 O ATOM 624 CB GLU A 43 -2.662 -7.904 -7.100 1.00 0.00 C ATOM 625 CG GLU A 43 -3.783 -7.997 -8.136 1.00 0.00 C ATOM 626 CD GLU A 43 -3.351 -8.839 -9.338 1.00 0.00 C ATOM 627 OE1 GLU A 43 -3.088 -10.042 -9.123 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.292 -8.261 -10.445 1.00 0.00 O ATOM 0 H GLU A 43 -3.815 -7.821 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.115 -9.943 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.753 -6.972 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.696 -7.880 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.669 -8.437 -7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.059 -6.996 -8.469 1.00 0.00 H new ATOM 635 N SER A 44 -0.821 -8.663 -4.697 1.00 0.00 N ATOM 636 CA SER A 44 0.501 -8.890 -4.137 1.00 0.00 C ATOM 637 C SER A 44 0.384 -9.636 -2.806 1.00 0.00 C ATOM 638 O SER A 44 1.388 -9.889 -2.142 1.00 0.00 O ATOM 639 CB SER A 44 1.250 -7.571 -3.942 1.00 0.00 C ATOM 640 OG SER A 44 1.488 -7.291 -2.565 1.00 0.00 O ATOM 0 H SER A 44 -1.319 -7.865 -4.304 1.00 0.00 H new ATOM 0 HA SER A 44 1.070 -9.499 -4.839 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.201 -7.612 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.673 -6.758 -4.383 1.00 0.00 H new ATOM 0 HG SER A 44 2.441 -7.404 -2.368 1.00 0.00 H new ATOM 646 N GLY A 45 -0.850 -9.968 -2.457 1.00 0.00 N ATOM 647 CA GLY A 45 -1.111 -10.680 -1.217 1.00 0.00 C ATOM 648 C GLY A 45 -0.321 -10.070 -0.058 1.00 0.00 C ATOM 649 O GLY A 45 0.090 -10.779 0.859 1.00 0.00 O ATOM 0 H GLY A 45 -1.680 -9.757 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.177 -10.647 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.842 -11.730 -1.333 1.00 0.00 H new ATOM 653 N CYS A 46 -0.134 -8.761 -0.136 1.00 0.00 N ATOM 654 CA CYS A 46 0.599 -8.047 0.896 1.00 0.00 C ATOM 655 C CYS A 46 -0.371 -7.103 1.608 1.00 0.00 C ATOM 656 O CYS A 46 -1.393 -6.715 1.044 1.00 0.00 O ATOM 657 CB CYS A 46 1.804 -7.299 0.320 1.00 0.00 C ATOM 658 SG CYS A 46 3.096 -7.113 1.602 1.00 0.00 S ATOM 0 H CYS A 46 -0.477 -8.176 -0.898 1.00 0.00 H new ATOM 0 HA CYS A 46 1.006 -8.758 1.615 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.205 -7.842 -0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.495 -6.318 -0.042 1.00 0.00 H new ATOM 0 HG CYS A 46 3.181 -5.865 1.954 1.00 0.00 H new ATOM 664 N LYS A 47 -0.017 -6.759 2.838 1.00 0.00 N ATOM 665 CA LYS A 47 -0.844 -5.868 3.634 1.00 0.00 C ATOM 666 C LYS A 47 -0.396 -4.423 3.403 1.00 0.00 C ATOM 667 O LYS A 47 0.800 -4.143 3.334 1.00 0.00 O ATOM 668 CB LYS A 47 -0.826 -6.290 5.104 1.00 0.00 C ATOM 669 CG LYS A 47 -1.988 -5.656 5.871 1.00 0.00 C ATOM 670 CD LYS A 47 -2.596 -6.648 6.864 1.00 0.00 C ATOM 671 CE LYS A 47 -2.200 -6.298 8.300 1.00 0.00 C ATOM 672 NZ LYS A 47 -2.267 -7.498 9.164 1.00 0.00 N ATOM 0 H LYS A 47 0.832 -7.082 3.303 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.886 -5.934 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.888 -7.376 5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.119 -5.994 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.638 -4.772 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.753 -5.323 5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.682 -6.642 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.261 -7.658 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.190 -5.888 8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.864 -5.526 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.995 -7.242 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.237 -7.873 9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.616 -8.223 8.802 1.00 0.00 H new ATOM 686 N ILE A 48 -1.380 -3.543 3.290 1.00 0.00 N ATOM 687 CA ILE A 48 -1.103 -2.134 3.069 1.00 0.00 C ATOM 688 C ILE A 48 -1.954 -1.295 4.024 1.00 0.00 C ATOM 689 O ILE A 48 -3.178 -1.258 3.900 1.00 0.00 O ATOM 690 CB ILE A 48 -1.297 -1.775 1.595 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.329 -2.561 0.707 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.177 -0.265 1.378 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.967 -2.885 -0.645 1.00 0.00 C ATOM 0 H ILE A 48 -2.371 -3.779 3.347 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.060 -1.911 3.293 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.307 -2.063 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.582 -1.982 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.039 -3.485 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.319 -0.037 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.938 0.249 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.188 0.070 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.259 -3.444 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.864 -3.484 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.233 -1.958 -1.153 1.00 0.00 H new ATOM 705 N GLN A 49 -1.274 -0.642 4.955 1.00 0.00 N ATOM 706 CA GLN A 49 -1.953 0.194 5.930 1.00 0.00 C ATOM 707 C GLN A 49 -1.587 1.664 5.714 1.00 0.00 C ATOM 708 O GLN A 49 -0.523 2.112 6.139 1.00 0.00 O ATOM 709 CB GLN A 49 -1.623 -0.249 7.357 1.00 0.00 C ATOM 710 CG GLN A 49 -2.448 -1.475 7.754 1.00 0.00 C ATOM 711 CD GLN A 49 -2.899 -1.382 9.214 1.00 0.00 C ATOM 712 OE1 GLN A 49 -2.124 -1.098 10.113 1.00 0.00 O ATOM 713 NE2 GLN A 49 -4.191 -1.637 9.398 1.00 0.00 N ATOM 0 H GLN A 49 -0.259 -0.675 5.055 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.028 0.082 5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.561 -0.481 7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.822 0.568 8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.320 -1.557 7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.856 -2.379 7.609 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.784 -1.868 8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.589 -1.601 10.336 1.00 0.00 H new ATOM 722 N ILE A 50 -2.491 2.374 5.055 1.00 0.00 N ATOM 723 CA ILE A 50 -2.277 3.785 4.778 1.00 0.00 C ATOM 724 C ILE A 50 -2.968 4.622 5.856 1.00 0.00 C ATOM 725 O ILE A 50 -4.106 4.344 6.229 1.00 0.00 O ATOM 726 CB ILE A 50 -2.724 4.125 3.355 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.438 2.965 2.398 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.087 5.432 2.878 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.833 3.327 0.965 1.00 0.00 C ATOM 0 H ILE A 50 -3.373 1.999 4.705 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.215 4.025 4.820 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.803 4.277 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.378 2.712 2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.988 2.080 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.421 5.651 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.384 6.245 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.002 5.333 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.620 2.486 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.898 3.556 0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.263 4.197 0.639 1.00 0.00 H new ATOM 741 N ALA A 51 -2.249 5.631 6.327 1.00 0.00 N ATOM 742 CA ALA A 51 -2.779 6.511 7.355 1.00 0.00 C ATOM 743 C ALA A 51 -3.961 7.299 6.786 1.00 0.00 C ATOM 744 O ALA A 51 -4.063 7.484 5.575 1.00 0.00 O ATOM 745 CB ALA A 51 -1.664 7.424 7.870 1.00 0.00 C ATOM 0 H ALA A 51 -1.305 5.858 6.016 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.146 5.933 8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.061 8.084 8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.862 6.817 8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.274 8.022 7.046 1.00 0.00 H new ATOM 821 N PRO A 58 4.231 15.664 2.381 1.00 0.00 N ATOM 822 CA PRO A 58 3.814 15.599 0.991 1.00 0.00 C ATOM 823 C PRO A 58 3.511 14.157 0.576 1.00 0.00 C ATOM 824 O PRO A 58 2.668 13.919 -0.287 1.00 0.00 O ATOM 825 CB PRO A 58 4.961 16.214 0.206 1.00 0.00 C ATOM 826 CG PRO A 58 6.166 16.176 1.131 1.00 0.00 C ATOM 827 CD PRO A 58 5.667 15.880 2.536 1.00 0.00 C ATOM 0 HA PRO A 58 2.886 16.140 0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.153 15.653 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.728 17.237 -0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.871 15.411 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.696 17.128 1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.157 15.000 2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.872 16.710 3.212 1.00 0.00 H new ATOM 835 N GLU A 59 4.216 13.232 1.212 1.00 0.00 N ATOM 836 CA GLU A 59 4.034 11.821 0.921 1.00 0.00 C ATOM 837 C GLU A 59 3.352 11.119 2.097 1.00 0.00 C ATOM 838 O GLU A 59 3.707 11.351 3.252 1.00 0.00 O ATOM 839 CB GLU A 59 5.368 11.153 0.583 1.00 0.00 C ATOM 840 CG GLU A 59 5.850 11.565 -0.809 1.00 0.00 C ATOM 841 CD GLU A 59 7.274 12.123 -0.754 1.00 0.00 C ATOM 842 OE1 GLU A 59 7.450 13.162 -0.082 1.00 0.00 O ATOM 843 OE2 GLU A 59 8.154 11.498 -1.385 1.00 0.00 O ATOM 0 H GLU A 59 4.914 13.433 1.928 1.00 0.00 H new ATOM 0 HA GLU A 59 3.389 11.732 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.116 11.428 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.258 10.069 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.818 10.705 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.177 12.316 -1.223 1.00 0.00 H new ATOM 850 N ARG A 60 2.386 10.276 1.764 1.00 0.00 N ATOM 851 CA ARG A 60 1.652 9.540 2.779 1.00 0.00 C ATOM 852 C ARG A 60 2.309 8.181 3.028 1.00 0.00 C ATOM 853 O ARG A 60 2.382 7.348 2.127 1.00 0.00 O ATOM 854 CB ARG A 60 0.196 9.325 2.358 1.00 0.00 C ATOM 855 CG ARG A 60 -0.491 8.302 3.265 1.00 0.00 C ATOM 856 CD ARG A 60 -1.780 8.873 3.858 1.00 0.00 C ATOM 857 NE ARG A 60 -2.899 8.692 2.906 1.00 0.00 N ATOM 858 CZ ARG A 60 -4.142 9.146 3.112 1.00 0.00 C ATOM 859 NH1 ARG A 60 -4.434 9.810 4.239 1.00 0.00 N ATOM 860 NH2 ARG A 60 -5.094 8.936 2.193 1.00 0.00 N ATOM 0 H ARG A 60 2.094 10.086 0.805 1.00 0.00 H new ATOM 0 HA ARG A 60 1.671 10.130 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.342 10.272 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.159 8.982 1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.717 7.400 2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.185 8.011 4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.009 8.374 4.800 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.649 9.932 4.081 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.712 8.190 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.710 9.969 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.381 10.156 4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.872 8.430 1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.040 9.282 2.351 1.00 0.00 H new ATOM 874 N SER A 61 2.771 8.000 4.257 1.00 0.00 N ATOM 875 CA SER A 61 3.421 6.757 4.636 1.00 0.00 C ATOM 876 C SER A 61 2.412 5.607 4.598 1.00 0.00 C ATOM 877 O SER A 61 1.260 5.773 4.997 1.00 0.00 O ATOM 878 CB SER A 61 4.048 6.866 6.028 1.00 0.00 C ATOM 879 OG SER A 61 4.755 5.682 6.389 1.00 0.00 O ATOM 0 H SER A 61 2.708 8.693 5.003 1.00 0.00 H new ATOM 0 HA SER A 61 4.219 6.556 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.729 7.717 6.053 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.267 7.060 6.763 1.00 0.00 H new ATOM 0 HG SER A 61 5.500 5.914 6.982 1.00 0.00 H new ATOM 885 N CYS A 62 2.882 4.466 4.114 1.00 0.00 N ATOM 886 CA CYS A 62 2.035 3.289 4.018 1.00 0.00 C ATOM 887 C CYS A 62 2.756 2.123 4.696 1.00 0.00 C ATOM 888 O CYS A 62 3.716 1.580 4.151 1.00 0.00 O ATOM 889 CB CYS A 62 1.673 2.970 2.566 1.00 0.00 C ATOM 890 SG CYS A 62 0.922 4.437 1.771 1.00 0.00 S ATOM 0 H CYS A 62 3.838 4.332 3.784 1.00 0.00 H new ATOM 0 HA CYS A 62 1.089 3.475 4.527 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.565 2.666 2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.977 2.132 2.532 1.00 0.00 H new ATOM 0 HG CYS A 62 1.643 5.487 2.029 1.00 0.00 H new ATOM 896 N MET A 63 2.266 1.771 5.876 1.00 0.00 N ATOM 897 CA MET A 63 2.851 0.679 6.634 1.00 0.00 C ATOM 898 C MET A 63 2.392 -0.675 6.089 1.00 0.00 C ATOM 899 O MET A 63 1.207 -0.999 6.140 1.00 0.00 O ATOM 900 CB MET A 63 2.445 0.802 8.104 1.00 0.00 C ATOM 901 CG MET A 63 2.942 2.120 8.702 1.00 0.00 C ATOM 902 SD MET A 63 4.711 2.249 8.509 1.00 0.00 S ATOM 903 CE MET A 63 5.243 1.047 9.717 1.00 0.00 C ATOM 0 H MET A 63 1.470 2.223 6.325 1.00 0.00 H new ATOM 0 HA MET A 63 3.935 0.738 6.541 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.360 0.745 8.191 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.854 -0.035 8.669 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.452 2.960 8.210 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.678 2.172 9.758 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.251 0.710 9.476 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.240 1.501 10.708 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.563 0.195 9.706 1.00 0.00 H new ATOM 913 N LEU A 64 3.355 -1.429 5.579 1.00 0.00 N ATOM 914 CA LEU A 64 3.065 -2.740 5.025 1.00 0.00 C ATOM 915 C LEU A 64 3.350 -3.810 6.081 1.00 0.00 C ATOM 916 O LEU A 64 4.215 -3.629 6.936 1.00 0.00 O ATOM 917 CB LEU A 64 3.829 -2.950 3.716 1.00 0.00 C ATOM 918 CG LEU A 64 3.699 -1.834 2.678 1.00 0.00 C ATOM 919 CD1 LEU A 64 5.005 -1.047 2.553 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.234 -2.389 1.330 1.00 0.00 C ATOM 0 H LEU A 64 4.337 -1.157 5.538 1.00 0.00 H new ATOM 0 HA LEU A 64 2.009 -2.819 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.885 -3.079 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.487 -3.881 3.264 1.00 0.00 H new ATOM 0 HG LEU A 64 2.934 -1.137 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.886 -0.260 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.255 -0.601 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.806 -1.719 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.150 -1.574 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.958 -3.119 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.263 -2.869 1.450 1.00 0.00 H new ATOM 932 N THR A 65 2.605 -4.902 5.988 1.00 0.00 N ATOM 933 CA THR A 65 2.766 -6.001 6.925 1.00 0.00 C ATOM 934 C THR A 65 2.729 -7.340 6.187 1.00 0.00 C ATOM 935 O THR A 65 1.745 -7.659 5.520 1.00 0.00 O ATOM 936 CB THR A 65 1.686 -5.868 7.999 1.00 0.00 C ATOM 937 OG1 THR A 65 1.810 -4.523 8.453 1.00 0.00 O ATOM 938 CG2 THR A 65 1.989 -6.709 9.241 1.00 0.00 C ATOM 0 H THR A 65 1.888 -5.049 5.278 1.00 0.00 H new ATOM 0 HA THR A 65 3.738 -5.964 7.416 1.00 0.00 H new ATOM 0 HB THR A 65 0.723 -6.166 7.584 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.144 -4.351 9.151 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.191 -6.578 9.972 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.056 -7.760 8.961 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.936 -6.388 9.676 1.00 0.00 H new ATOM 946 N GLY A 66 3.812 -8.089 6.330 1.00 0.00 N ATOM 947 CA GLY A 66 3.915 -9.388 5.686 1.00 0.00 C ATOM 948 C GLY A 66 5.371 -9.717 5.347 1.00 0.00 C ATOM 949 O GLY A 66 6.285 -9.317 6.066 1.00 0.00 O ATOM 0 H GLY A 66 4.627 -7.821 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.508 -10.157 6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.315 -9.396 4.776 1.00 0.00 H new ATOM 953 N THR A 67 5.540 -10.444 4.252 1.00 0.00 N ATOM 954 CA THR A 67 6.868 -10.832 3.809 1.00 0.00 C ATOM 955 C THR A 67 7.463 -9.755 2.900 1.00 0.00 C ATOM 956 O THR A 67 6.795 -8.776 2.572 1.00 0.00 O ATOM 957 CB THR A 67 6.761 -12.203 3.139 1.00 0.00 C ATOM 958 OG1 THR A 67 6.539 -11.901 1.764 1.00 0.00 O ATOM 959 CG2 THR A 67 5.503 -12.965 3.560 1.00 0.00 C ATOM 0 H THR A 67 4.779 -10.774 3.659 1.00 0.00 H new ATOM 0 HA THR A 67 7.556 -10.919 4.650 1.00 0.00 H new ATOM 0 HB THR A 67 7.643 -12.795 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.782 -11.284 1.683 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.477 -13.931 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.515 -13.119 4.639 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.620 -12.388 3.286 1.00 0.00 H new ATOM 967 N PRO A 68 8.745 -9.979 2.507 1.00 0.00 N ATOM 968 CA PRO A 68 9.438 -9.039 1.641 1.00 0.00 C ATOM 969 C PRO A 68 8.940 -9.153 0.199 1.00 0.00 C ATOM 970 O PRO A 68 8.783 -8.146 -0.489 1.00 0.00 O ATOM 971 CB PRO A 68 10.912 -9.381 1.790 1.00 0.00 C ATOM 972 CG PRO A 68 10.958 -10.787 2.365 1.00 0.00 C ATOM 973 CD PRO A 68 9.568 -11.128 2.875 1.00 0.00 C ATOM 0 HA PRO A 68 9.254 -8.000 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.423 -9.336 0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.412 -8.673 2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.271 -11.501 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.686 -10.845 3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.193 -12.045 2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.569 -11.285 3.954 1.00 0.00 H new ATOM 981 N GLU A 69 8.705 -10.390 -0.216 1.00 0.00 N ATOM 982 CA GLU A 69 8.228 -10.648 -1.564 1.00 0.00 C ATOM 983 C GLU A 69 6.859 -10.000 -1.776 1.00 0.00 C ATOM 984 O GLU A 69 6.559 -9.516 -2.867 1.00 0.00 O ATOM 985 CB GLU A 69 8.174 -12.151 -1.847 1.00 0.00 C ATOM 986 CG GLU A 69 7.331 -12.877 -0.797 1.00 0.00 C ATOM 987 CD GLU A 69 6.781 -14.193 -1.349 1.00 0.00 C ATOM 988 OE1 GLU A 69 6.057 -14.124 -2.365 1.00 0.00 O ATOM 989 OE2 GLU A 69 7.098 -15.239 -0.742 1.00 0.00 O ATOM 0 H GLU A 69 8.836 -11.223 0.357 1.00 0.00 H new ATOM 0 HA GLU A 69 8.931 -10.204 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.754 -12.323 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.184 -12.560 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.937 -13.075 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.506 -12.238 -0.482 1.00 0.00 H new ATOM 996 N SER A 70 6.063 -10.012 -0.717 1.00 0.00 N ATOM 997 CA SER A 70 4.733 -9.431 -0.773 1.00 0.00 C ATOM 998 C SER A 70 4.826 -7.905 -0.733 1.00 0.00 C ATOM 999 O SER A 70 4.167 -7.218 -1.513 1.00 0.00 O ATOM 1000 CB SER A 70 3.860 -9.940 0.376 1.00 0.00 C ATOM 1001 OG SER A 70 4.514 -9.820 1.637 1.00 0.00 O ATOM 0 H SER A 70 6.314 -10.415 0.186 1.00 0.00 H new ATOM 0 HA SER A 70 4.267 -9.736 -1.710 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.926 -9.379 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.601 -10.984 0.200 1.00 0.00 H new ATOM 0 HG SER A 70 4.295 -8.953 2.038 1.00 0.00 H new ATOM 1007 N VAL A 71 5.650 -7.418 0.184 1.00 0.00 N ATOM 1008 CA VAL A 71 5.837 -5.985 0.335 1.00 0.00 C ATOM 1009 C VAL A 71 6.353 -5.400 -0.981 1.00 0.00 C ATOM 1010 O VAL A 71 5.864 -4.369 -1.440 1.00 0.00 O ATOM 1011 CB VAL A 71 6.764 -5.701 1.519 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.114 -4.214 1.597 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.144 -6.188 2.830 1.00 0.00 C ATOM 0 H VAL A 71 6.195 -7.990 0.829 1.00 0.00 H new ATOM 0 HA VAL A 71 4.888 -5.497 0.557 1.00 0.00 H new ATOM 0 HB VAL A 71 7.689 -6.255 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.774 -4.040 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.617 -3.910 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.201 -3.631 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.823 -5.974 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.197 -5.675 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.970 -7.262 2.773 1.00 0.00 H new ATOM 1023 N GLN A 72 7.333 -6.084 -1.552 1.00 0.00 N ATOM 1024 CA GLN A 72 7.920 -5.646 -2.806 1.00 0.00 C ATOM 1025 C GLN A 72 6.858 -5.615 -3.907 1.00 0.00 C ATOM 1026 O GLN A 72 6.621 -4.574 -4.518 1.00 0.00 O ATOM 1027 CB GLN A 72 9.097 -6.540 -3.204 1.00 0.00 C ATOM 1028 CG GLN A 72 10.402 -5.743 -3.243 1.00 0.00 C ATOM 1029 CD GLN A 72 11.599 -6.663 -3.494 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.468 -7.779 -3.969 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.769 -6.134 -3.148 1.00 0.00 N ATOM 0 H GLN A 72 7.736 -6.939 -1.169 1.00 0.00 H new ATOM 0 HA GLN A 72 8.305 -4.635 -2.670 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.190 -7.362 -2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.908 -6.983 -4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.348 -4.988 -4.028 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.537 -5.213 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.807 -5.193 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.628 -6.669 -3.275 1.00 0.00 H new ATOM 1040 N SER A 73 6.247 -6.770 -4.128 1.00 0.00 N ATOM 1041 CA SER A 73 5.216 -6.889 -5.145 1.00 0.00 C ATOM 1042 C SER A 73 4.205 -5.749 -5.001 1.00 0.00 C ATOM 1043 O SER A 73 3.997 -4.978 -5.935 1.00 0.00 O ATOM 1044 CB SER A 73 4.508 -8.242 -5.055 1.00 0.00 C ATOM 1045 OG SER A 73 5.378 -9.323 -5.379 1.00 0.00 O ATOM 0 H SER A 73 6.446 -7.632 -3.620 1.00 0.00 H new ATOM 0 HA SER A 73 5.691 -6.823 -6.124 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.118 -8.381 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.653 -8.249 -5.731 1.00 0.00 H new ATOM 0 HG SER A 73 5.913 -9.559 -4.593 1.00 0.00 H new ATOM 1051 N ALA A 74 3.604 -5.680 -3.822 1.00 0.00 N ATOM 1052 CA ALA A 74 2.620 -4.648 -3.543 1.00 0.00 C ATOM 1053 C ALA A 74 3.179 -3.289 -3.967 1.00 0.00 C ATOM 1054 O ALA A 74 2.542 -2.561 -4.727 1.00 0.00 O ATOM 1055 CB ALA A 74 2.245 -4.688 -2.061 1.00 0.00 C ATOM 0 H ALA A 74 3.780 -6.322 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 74 1.708 -4.822 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.507 -3.914 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.826 -5.664 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.135 -4.514 -1.456 1.00 0.00 H new ATOM 1061 N LYS A 75 4.365 -2.987 -3.458 1.00 0.00 N ATOM 1062 CA LYS A 75 5.017 -1.728 -3.774 1.00 0.00 C ATOM 1063 C LYS A 75 4.912 -1.468 -5.278 1.00 0.00 C ATOM 1064 O LYS A 75 4.378 -0.442 -5.699 1.00 0.00 O ATOM 1065 CB LYS A 75 6.453 -1.721 -3.248 1.00 0.00 C ATOM 1066 CG LYS A 75 6.501 -1.259 -1.790 1.00 0.00 C ATOM 1067 CD LYS A 75 7.705 -1.861 -1.063 1.00 0.00 C ATOM 1068 CE LYS A 75 8.932 -0.956 -1.194 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.970 -1.606 -2.025 1.00 0.00 N ATOM 0 H LYS A 75 4.891 -3.593 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 75 4.514 -0.902 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.879 -2.721 -3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.066 -1.062 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.555 -0.171 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.582 -1.551 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.464 -2.004 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.929 -2.845 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.643 -0.005 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.335 -0.735 -0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.795 -0.978 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.258 -2.502 -1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.587 -1.795 -2.973 1.00 0.00 H new ATOM 1083 N ARG A 76 5.429 -2.414 -6.048 1.00 0.00 N ATOM 1084 CA ARG A 76 5.400 -2.301 -7.496 1.00 0.00 C ATOM 1085 C ARG A 76 4.013 -1.857 -7.966 1.00 0.00 C ATOM 1086 O ARG A 76 3.893 -0.960 -8.799 1.00 0.00 O ATOM 1087 CB ARG A 76 5.754 -3.632 -8.160 1.00 0.00 C ATOM 1088 CG ARG A 76 7.236 -3.964 -7.969 1.00 0.00 C ATOM 1089 CD ARG A 76 8.069 -3.447 -9.143 1.00 0.00 C ATOM 1090 NE ARG A 76 9.369 -4.153 -9.191 1.00 0.00 N ATOM 1091 CZ ARG A 76 10.361 -3.845 -10.038 1.00 0.00 C ATOM 1092 NH1 ARG A 76 10.207 -2.842 -10.913 1.00 0.00 N ATOM 1093 NH2 ARG A 76 11.506 -4.539 -10.009 1.00 0.00 N ATOM 0 H ARG A 76 5.871 -3.263 -5.696 1.00 0.00 H new ATOM 0 HA ARG A 76 6.141 -1.556 -7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.142 -4.428 -7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.523 -3.584 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.595 -3.520 -7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.362 -5.043 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.529 -3.599 -10.078 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.232 -2.374 -9.039 1.00 0.00 H new ATOM 0 HE ARG A 76 9.519 -4.922 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.335 -2.313 -10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.962 -2.607 -11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.623 -5.302 -9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.261 -4.305 -10.654 1.00 0.00 H new ATOM 1107 N LEU A 77 3.000 -2.506 -7.411 1.00 0.00 N ATOM 1108 CA LEU A 77 1.626 -2.190 -7.763 1.00 0.00 C ATOM 1109 C LEU A 77 1.325 -0.741 -7.374 1.00 0.00 C ATOM 1110 O LEU A 77 0.838 0.037 -8.192 1.00 0.00 O ATOM 1111 CB LEU A 77 0.666 -3.206 -7.141 1.00 0.00 C ATOM 1112 CG LEU A 77 0.681 -4.607 -7.757 1.00 0.00 C ATOM 1113 CD1 LEU A 77 -0.245 -5.553 -6.990 1.00 0.00 C ATOM 1114 CD2 LEU A 77 0.339 -4.554 -9.248 1.00 0.00 C ATOM 0 H LEU A 77 3.103 -3.249 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 77 1.481 -2.268 -8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.900 -3.295 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.347 -2.810 -7.212 1.00 0.00 H new ATOM 0 HG LEU A 77 1.692 -5.007 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.216 -6.542 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.085 -5.624 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.265 -5.169 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.357 -5.562 -9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.655 -4.126 -9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.071 -3.936 -9.768 1.00 0.00 H new ATOM 1126 N LEU A 78 1.627 -0.423 -6.124 1.00 0.00 N ATOM 1127 CA LEU A 78 1.395 0.918 -5.616 1.00 0.00 C ATOM 1128 C LEU A 78 2.134 1.928 -6.496 1.00 0.00 C ATOM 1129 O LEU A 78 1.566 2.943 -6.894 1.00 0.00 O ATOM 1130 CB LEU A 78 1.770 1.003 -4.135 1.00 0.00 C ATOM 1131 CG LEU A 78 1.009 0.066 -3.195 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.470 0.247 -1.748 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.503 0.251 -3.343 1.00 0.00 C ATOM 0 H LEU A 78 2.031 -1.071 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 78 0.335 1.166 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.836 0.795 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.613 2.028 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 78 1.237 -0.961 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.913 -0.431 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.535 0.025 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.291 1.276 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.021 -0.427 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.769 1.280 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.798 0.031 -4.369 1.00 0.00 H new ATOM 1145 N ASP A 79 3.391 1.612 -6.775 1.00 0.00 N ATOM 1146 CA ASP A 79 4.214 2.479 -7.601 1.00 0.00 C ATOM 1147 C ASP A 79 3.583 2.603 -8.990 1.00 0.00 C ATOM 1148 O ASP A 79 3.356 3.709 -9.476 1.00 0.00 O ATOM 1149 CB ASP A 79 5.622 1.904 -7.771 1.00 0.00 C ATOM 1150 CG ASP A 79 6.743 2.944 -7.826 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.441 4.120 -7.530 1.00 0.00 O ATOM 1152 OD2 ASP A 79 7.876 2.539 -8.163 1.00 0.00 O ATOM 0 H ASP A 79 3.859 0.768 -6.444 1.00 0.00 H new ATOM 0 HA ASP A 79 4.278 3.450 -7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.821 1.221 -6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.649 1.314 -8.687 1.00 0.00 H new ATOM 1157 N GLN A 80 3.318 1.451 -9.588 1.00 0.00 N ATOM 1158 CA GLN A 80 2.718 1.416 -10.911 1.00 0.00 C ATOM 1159 C GLN A 80 1.672 2.524 -11.049 1.00 0.00 C ATOM 1160 O GLN A 80 1.635 3.226 -12.058 1.00 0.00 O ATOM 1161 CB GLN A 80 2.105 0.044 -11.199 1.00 0.00 C ATOM 1162 CG GLN A 80 3.007 -0.777 -12.123 1.00 0.00 C ATOM 1163 CD GLN A 80 4.166 -1.402 -11.344 1.00 0.00 C ATOM 1164 OE1 GLN A 80 4.185 -2.586 -11.052 1.00 0.00 O ATOM 1165 NE2 GLN A 80 5.129 -0.542 -11.024 1.00 0.00 N ATOM 0 H GLN A 80 3.508 0.535 -9.181 1.00 0.00 H new ATOM 0 HA GLN A 80 3.502 1.589 -11.649 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.952 -0.493 -10.263 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.125 0.169 -11.659 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.423 -1.561 -12.604 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.399 -0.139 -12.915 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.051 0.437 -11.300 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.946 -0.862 -10.503 1.00 0.00 H new ATOM 1174 N ILE A 81 0.847 2.646 -10.019 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.197 3.656 -10.013 1.00 0.00 C ATOM 1176 C ILE A 81 0.434 5.037 -10.200 1.00 0.00 C ATOM 1177 O ILE A 81 0.037 5.791 -11.087 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.051 3.537 -8.749 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.979 2.323 -8.827 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.821 4.832 -8.483 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.662 2.068 -7.482 1.00 0.00 C ATOM 0 H ILE A 81 0.881 2.062 -9.183 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.881 3.501 -10.848 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.385 3.379 -7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.733 2.486 -9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.408 1.443 -9.122 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.420 4.720 -7.579 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.117 5.654 -8.352 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.476 5.046 -9.328 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.316 1.200 -7.565 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.906 1.881 -6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.252 2.941 -7.202 1.00 0.00 H new ATOM 1193 N VAL A 82 1.408 5.328 -9.350 1.00 0.00 N ATOM 1194 CA VAL A 82 2.099 6.605 -9.410 1.00 0.00 C ATOM 1195 C VAL A 82 2.868 6.702 -10.729 1.00 0.00 C ATOM 1196 O VAL A 82 2.760 7.697 -11.443 1.00 0.00 O ATOM 1197 CB VAL A 82 2.995 6.774 -8.182 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.673 8.145 -8.182 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.203 6.555 -6.891 1.00 0.00 C ATOM 0 H VAL A 82 1.735 4.701 -8.615 1.00 0.00 H new ATOM 0 HA VAL A 82 1.384 7.427 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 82 3.775 6.014 -8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.304 8.239 -7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.285 8.248 -9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.913 8.927 -8.170 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.864 6.681 -6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.392 7.281 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.789 5.547 -6.885 1.00 0.00 H new