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 67 THR OG1 : rot -93:sc= -1.38 USER MOD Set 1.2: A 70 SER OG : rot 68:sc= 1.34 USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 49 GLN : amide:sc= 0 X(o=-0.3,f=-0.3) USER MOD Set 2.3: A 65 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 15 MET CE :methyl -123:sc= -0.902 (180deg=-4.36!) USER MOD Single : A 19 TYR OH : rot 50:sc= -0.249 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 155:sc= -1.26 (180deg=-1.86!) USER MOD Single : A 36 GLN : amide:sc= -0.405 K(o=-0.4,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.61 K(o=0.61,f=-4.5!) USER MOD Single : A 42 GLN : amide:sc=-0.00619 X(o=-0.0062,f=-0.079) USER MOD Single : A 44 SER OG : rot -66:sc= -3.39! USER MOD Single : A 46 CYS SG : rot -37:sc= -1.55 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 56:sc= -3.37! USER MOD Single : A 63 MET CE :methyl -125:sc= -0.463 (180deg=-0.925) USER MOD Single : A 72 GLN : amide:sc= -0.145 K(o=-0.14,f=-0.83) USER MOD Single : A 73 SER OG : rot 94:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.034 -9.154 8.462 1.00 0.00 N ATOM 186 CA MET A 15 7.866 -7.965 8.521 1.00 0.00 C ATOM 187 C MET A 15 7.062 -6.715 8.158 1.00 0.00 C ATOM 188 O MET A 15 5.980 -6.814 7.580 1.00 0.00 O ATOM 189 CB MET A 15 9.041 -8.115 7.553 1.00 0.00 C ATOM 190 CG MET A 15 8.547 -8.300 6.116 1.00 0.00 C ATOM 191 SD MET A 15 9.757 -7.663 4.969 1.00 0.00 S ATOM 192 CE MET A 15 9.149 -5.996 4.771 1.00 0.00 C ATOM 0 HA MET A 15 8.236 -7.853 9.540 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.680 -7.234 7.611 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.651 -8.970 7.845 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.367 -9.357 5.918 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.597 -7.783 5.980 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.953 -5.803 3.716 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.227 -5.875 5.339 1.00 0.00 H new ATOM 0 HE3 MET A 15 9.895 -5.291 5.137 1.00 0.00 H new ATOM 202 N THR A 16 7.621 -5.567 8.512 1.00 0.00 N ATOM 203 CA THR A 16 6.969 -4.299 8.231 1.00 0.00 C ATOM 204 C THR A 16 7.890 -3.398 7.405 1.00 0.00 C ATOM 205 O THR A 16 9.094 -3.345 7.648 1.00 0.00 O ATOM 206 CB THR A 16 6.547 -3.678 9.564 1.00 0.00 C ATOM 207 OG1 THR A 16 5.583 -4.590 10.082 1.00 0.00 O ATOM 208 CG2 THR A 16 5.767 -2.375 9.382 1.00 0.00 C ATOM 0 H THR A 16 8.518 -5.488 8.991 1.00 0.00 H new ATOM 0 HA THR A 16 6.074 -4.440 7.625 1.00 0.00 H new ATOM 0 HB THR A 16 7.431 -3.489 10.173 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.257 -4.265 10.947 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.492 -1.976 10.358 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.388 -1.650 8.856 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.865 -2.569 8.802 1.00 0.00 H new ATOM 216 N GLU A 17 7.287 -2.711 6.445 1.00 0.00 N ATOM 217 CA GLU A 17 8.038 -1.815 5.582 1.00 0.00 C ATOM 218 C GLU A 17 7.358 -0.446 5.519 1.00 0.00 C ATOM 219 O GLU A 17 6.133 -0.354 5.580 1.00 0.00 O ATOM 220 CB GLU A 17 8.202 -2.411 4.183 1.00 0.00 C ATOM 221 CG GLU A 17 8.989 -1.466 3.273 1.00 0.00 C ATOM 222 CD GLU A 17 10.484 -1.515 3.595 1.00 0.00 C ATOM 223 OE1 GLU A 17 11.120 -2.511 3.188 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.958 -0.555 4.240 1.00 0.00 O ATOM 0 H GLU A 17 6.288 -2.757 6.246 1.00 0.00 H new ATOM 0 HA GLU A 17 9.034 -1.685 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.717 -3.369 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.221 -2.606 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.828 -1.741 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.620 -0.447 3.394 1.00 0.00 H new ATOM 231 N GLU A 18 8.182 0.584 5.398 1.00 0.00 N ATOM 232 CA GLU A 18 7.676 1.944 5.325 1.00 0.00 C ATOM 233 C GLU A 18 7.778 2.473 3.893 1.00 0.00 C ATOM 234 O GLU A 18 8.856 2.863 3.447 1.00 0.00 O ATOM 235 CB GLU A 18 8.418 2.858 6.302 1.00 0.00 C ATOM 236 CG GLU A 18 7.853 4.279 6.261 1.00 0.00 C ATOM 237 CD GLU A 18 8.093 5.003 7.588 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.859 4.362 8.635 1.00 0.00 O ATOM 239 OE2 GLU A 18 8.504 6.182 7.524 1.00 0.00 O ATOM 0 H GLU A 18 9.198 0.504 5.349 1.00 0.00 H new ATOM 0 HA GLU A 18 6.625 1.936 5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.335 2.459 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.479 2.877 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.320 4.836 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.784 4.243 6.050 1.00 0.00 H new ATOM 246 N TYR A 19 6.641 2.470 3.213 1.00 0.00 N ATOM 247 CA TYR A 19 6.589 2.945 1.841 1.00 0.00 C ATOM 248 C TYR A 19 5.848 4.280 1.750 1.00 0.00 C ATOM 249 O TYR A 19 4.699 4.386 2.178 1.00 0.00 O ATOM 250 CB TYR A 19 5.809 1.888 1.058 1.00 0.00 C ATOM 251 CG TYR A 19 6.025 1.948 -0.456 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.296 1.816 -0.977 1.00 0.00 C ATOM 253 CD2 TYR A 19 4.949 2.136 -1.299 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.499 1.873 -2.402 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.152 2.193 -2.724 1.00 0.00 C ATOM 256 CZ TYR A 19 6.417 2.059 -3.205 1.00 0.00 C ATOM 257 OH TYR A 19 6.609 2.113 -4.550 1.00 0.00 O ATOM 0 H TYR A 19 5.749 2.146 3.587 1.00 0.00 H new ATOM 0 HA TYR A 19 7.595 3.097 1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.096 0.900 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.746 2.006 1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.138 1.670 -0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.955 2.240 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.488 1.770 -2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.319 2.339 -3.395 1.00 0.00 H new ATOM 0 HH TYR A 19 7.149 1.346 -4.834 1.00 0.00 H new ATOM 267 N LYS A 20 6.535 5.266 1.191 1.00 0.00 N ATOM 268 CA LYS A 20 5.955 6.589 1.039 1.00 0.00 C ATOM 269 C LYS A 20 5.416 6.745 -0.384 1.00 0.00 C ATOM 270 O LYS A 20 6.078 6.362 -1.348 1.00 0.00 O ATOM 271 CB LYS A 20 6.968 7.666 1.435 1.00 0.00 C ATOM 272 CG LYS A 20 6.942 7.915 2.944 1.00 0.00 C ATOM 273 CD LYS A 20 6.935 9.414 3.252 1.00 0.00 C ATOM 274 CE LYS A 20 7.869 9.738 4.420 1.00 0.00 C ATOM 275 NZ LYS A 20 7.418 10.962 5.120 1.00 0.00 N ATOM 0 H LYS A 20 7.488 5.175 0.838 1.00 0.00 H new ATOM 0 HA LYS A 20 5.109 6.715 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.969 7.359 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.745 8.592 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.059 7.447 3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.811 7.449 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.245 9.972 2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.921 9.735 3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.893 8.901 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.886 9.876 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.063 11.168 5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.418 11.762 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.456 10.817 5.487 1.00 0.00 H new ATOM 289 N VAL A 21 4.220 7.309 -0.471 1.00 0.00 N ATOM 290 CA VAL A 21 3.585 7.520 -1.761 1.00 0.00 C ATOM 291 C VAL A 21 3.139 8.979 -1.872 1.00 0.00 C ATOM 292 O VAL A 21 3.016 9.673 -0.864 1.00 0.00 O ATOM 293 CB VAL A 21 2.435 6.528 -1.947 1.00 0.00 C ATOM 294 CG1 VAL A 21 2.955 5.168 -2.418 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.619 6.387 -0.660 1.00 0.00 C ATOM 0 H VAL A 21 3.674 7.626 0.330 1.00 0.00 H new ATOM 0 HA VAL A 21 4.292 7.333 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 21 1.775 6.921 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.118 4.481 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.472 5.286 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.646 4.766 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.808 5.676 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.264 6.028 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.203 7.356 -0.385 1.00 0.00 H new ATOM 305 N PRO A 22 2.903 9.413 -3.139 1.00 0.00 N ATOM 306 CA PRO A 22 2.474 10.778 -3.395 1.00 0.00 C ATOM 307 C PRO A 22 1.003 10.969 -3.019 1.00 0.00 C ATOM 308 O PRO A 22 0.122 10.336 -3.599 1.00 0.00 O ATOM 309 CB PRO A 22 2.743 11.004 -4.874 1.00 0.00 C ATOM 310 CG PRO A 22 2.876 9.620 -5.490 1.00 0.00 C ATOM 311 CD PRO A 22 3.039 8.620 -4.357 1.00 0.00 C ATOM 0 HA PRO A 22 3.011 11.509 -2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.929 11.562 -5.338 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.653 11.586 -5.021 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.995 9.381 -6.086 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.735 9.581 -6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.281 7.838 -4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.010 8.126 -4.401 1.00 0.00 H new ATOM 319 N ASP A 23 0.783 11.845 -2.050 1.00 0.00 N ATOM 320 CA ASP A 23 -0.566 12.128 -1.589 1.00 0.00 C ATOM 321 C ASP A 23 -1.451 12.465 -2.791 1.00 0.00 C ATOM 322 O ASP A 23 -2.651 12.196 -2.778 1.00 0.00 O ATOM 323 CB ASP A 23 -0.583 13.327 -0.639 1.00 0.00 C ATOM 324 CG ASP A 23 -1.922 14.063 -0.551 1.00 0.00 C ATOM 325 OD1 ASP A 23 -2.933 13.373 -0.298 1.00 0.00 O ATOM 326 OD2 ASP A 23 -1.903 15.299 -0.737 1.00 0.00 O ATOM 0 H ASP A 23 1.516 12.368 -1.571 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.935 11.247 -1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.307 12.985 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.183 14.034 -0.957 1.00 0.00 H new ATOM 331 N GLY A 24 -0.824 13.050 -3.802 1.00 0.00 N ATOM 332 CA GLY A 24 -1.539 13.426 -5.009 1.00 0.00 C ATOM 333 C GLY A 24 -2.018 12.189 -5.771 1.00 0.00 C ATOM 334 O GLY A 24 -2.792 12.301 -6.720 1.00 0.00 O ATOM 0 H GLY A 24 0.171 13.272 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.393 14.051 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.890 14.023 -5.649 1.00 0.00 H new ATOM 338 N MET A 25 -1.537 11.037 -5.327 1.00 0.00 N ATOM 339 CA MET A 25 -1.906 9.780 -5.955 1.00 0.00 C ATOM 340 C MET A 25 -2.556 8.832 -4.945 1.00 0.00 C ATOM 341 O MET A 25 -3.494 8.111 -5.279 1.00 0.00 O ATOM 342 CB MET A 25 -0.660 9.119 -6.547 1.00 0.00 C ATOM 343 CG MET A 25 -0.044 9.992 -7.643 1.00 0.00 C ATOM 344 SD MET A 25 -1.237 10.277 -8.939 1.00 0.00 S ATOM 345 CE MET A 25 -1.247 8.667 -9.710 1.00 0.00 C ATOM 0 H MET A 25 -0.895 10.948 -4.540 1.00 0.00 H new ATOM 0 HA MET A 25 -2.627 9.989 -6.745 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.073 8.947 -5.759 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.922 8.144 -6.958 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.282 10.943 -7.222 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.841 9.505 -8.053 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.200 8.512 -10.217 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.436 8.606 -10.435 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.112 7.898 -8.949 1.00 0.00 H new ATOM 355 N VAL A 26 -2.030 8.864 -3.729 1.00 0.00 N ATOM 356 CA VAL A 26 -2.547 8.017 -2.668 1.00 0.00 C ATOM 357 C VAL A 26 -4.076 8.053 -2.691 1.00 0.00 C ATOM 358 O VAL A 26 -4.726 7.008 -2.676 1.00 0.00 O ATOM 359 CB VAL A 26 -1.959 8.446 -1.322 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.751 9.611 -0.725 1.00 0.00 C ATOM 361 CG2 VAL A 26 -1.899 7.268 -0.349 1.00 0.00 C ATOM 0 H VAL A 26 -1.251 9.463 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.244 6.982 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.939 8.788 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.313 9.897 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.719 10.460 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.787 9.307 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.477 7.601 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.905 6.881 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.272 6.481 -0.769 1.00 0.00 H new ATOM 371 N GLY A 27 -4.607 9.266 -2.728 1.00 0.00 N ATOM 372 CA GLY A 27 -6.048 9.452 -2.753 1.00 0.00 C ATOM 373 C GLY A 27 -6.693 8.587 -3.837 1.00 0.00 C ATOM 374 O GLY A 27 -7.841 8.165 -3.699 1.00 0.00 O ATOM 0 H GLY A 27 -4.065 10.130 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.468 9.196 -1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.280 10.502 -2.934 1.00 0.00 H new ATOM 378 N PHE A 28 -5.928 8.348 -4.892 1.00 0.00 N ATOM 379 CA PHE A 28 -6.411 7.540 -5.999 1.00 0.00 C ATOM 380 C PHE A 28 -5.993 6.077 -5.834 1.00 0.00 C ATOM 381 O PHE A 28 -6.604 5.184 -6.418 1.00 0.00 O ATOM 382 CB PHE A 28 -5.774 8.100 -7.273 1.00 0.00 C ATOM 383 CG PHE A 28 -5.692 7.093 -8.422 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.779 6.343 -8.748 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.532 6.948 -9.117 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.702 5.409 -9.814 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.456 6.013 -10.183 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.542 5.263 -10.510 1.00 0.00 C ATOM 0 H PHE A 28 -4.977 8.700 -5.004 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.500 7.576 -6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.347 8.966 -7.603 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.769 8.452 -7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.700 6.458 -8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.669 7.544 -8.858 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.565 4.814 -10.073 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.535 5.897 -10.735 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.484 4.552 -11.321 1.00 0.00 H new ATOM 398 N ILE A 29 -4.954 5.879 -5.036 1.00 0.00 N ATOM 399 CA ILE A 29 -4.447 4.540 -4.787 1.00 0.00 C ATOM 400 C ILE A 29 -5.512 3.724 -4.053 1.00 0.00 C ATOM 401 O ILE A 29 -5.741 2.560 -4.378 1.00 0.00 O ATOM 402 CB ILE A 29 -3.106 4.603 -4.053 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.046 5.306 -4.905 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.655 3.209 -3.613 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.638 5.002 -4.389 1.00 0.00 C ATOM 0 H ILE A 29 -4.450 6.623 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.246 4.028 -5.728 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.240 5.198 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.135 4.983 -5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.218 6.382 -4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.699 3.283 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.400 2.780 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.544 2.569 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.096 5.513 -5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.545 5.348 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.461 3.927 -4.427 1.00 0.00 H new ATOM 417 N ILE A 30 -6.135 4.367 -3.076 1.00 0.00 N ATOM 418 CA ILE A 30 -7.171 3.715 -2.293 1.00 0.00 C ATOM 419 C ILE A 30 -8.233 3.143 -3.235 1.00 0.00 C ATOM 420 O ILE A 30 -8.387 1.927 -3.336 1.00 0.00 O ATOM 421 CB ILE A 30 -7.734 4.676 -1.244 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.614 5.482 -0.582 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.586 3.928 -0.216 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.690 6.957 -0.982 1.00 0.00 C ATOM 0 H ILE A 30 -5.942 5.332 -2.809 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.755 2.877 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.388 5.387 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.687 5.391 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.646 5.072 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.974 4.634 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.417 3.436 -0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.974 3.180 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.883 7.507 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.592 7.046 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.649 7.370 -0.669 1.00 0.00 H new ATOM 436 N GLY A 31 -8.936 4.047 -3.900 1.00 0.00 N ATOM 437 CA GLY A 31 -9.979 3.648 -4.830 1.00 0.00 C ATOM 438 C GLY A 31 -11.355 3.688 -4.162 1.00 0.00 C ATOM 439 O GLY A 31 -11.453 3.805 -2.942 1.00 0.00 O ATOM 0 H GLY A 31 -8.804 5.055 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.972 4.310 -5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.778 2.641 -5.197 1.00 0.00 H new ATOM 481 N GLU A 35 -11.069 -0.270 -3.195 1.00 0.00 N ATOM 482 CA GLU A 35 -11.044 -1.460 -4.028 1.00 0.00 C ATOM 483 C GLU A 35 -9.783 -1.474 -4.895 1.00 0.00 C ATOM 484 O GLU A 35 -9.322 -2.536 -5.309 1.00 0.00 O ATOM 485 CB GLU A 35 -12.304 -1.552 -4.891 1.00 0.00 C ATOM 486 CG GLU A 35 -12.316 -0.460 -5.962 1.00 0.00 C ATOM 487 CD GLU A 35 -13.648 -0.446 -6.715 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.677 -0.702 -6.054 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.606 -0.179 -7.936 1.00 0.00 O ATOM 0 HA GLU A 35 -11.024 -2.335 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.353 -2.532 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.188 -1.458 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.146 0.512 -5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.499 -0.625 -6.664 1.00 0.00 H new ATOM 496 N GLN A 36 -9.262 -0.282 -5.144 1.00 0.00 N ATOM 497 CA GLN A 36 -8.064 -0.143 -5.954 1.00 0.00 C ATOM 498 C GLN A 36 -6.850 -0.700 -5.207 1.00 0.00 C ATOM 499 O GLN A 36 -5.969 -1.309 -5.813 1.00 0.00 O ATOM 500 CB GLN A 36 -7.838 1.316 -6.355 1.00 0.00 C ATOM 501 CG GLN A 36 -6.514 1.481 -7.103 1.00 0.00 C ATOM 502 CD GLN A 36 -6.754 1.823 -8.575 1.00 0.00 C ATOM 503 OE1 GLN A 36 -7.840 2.202 -8.982 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.683 1.667 -9.349 1.00 0.00 N ATOM 0 H GLN A 36 -9.648 0.597 -4.799 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.200 -0.720 -6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.660 1.655 -6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.838 1.945 -5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.923 2.268 -6.635 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.934 0.561 -7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.804 1.346 -8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.741 1.868 -10.347 1.00 0.00 H new ATOM 513 N ILE A 37 -6.843 -0.472 -3.902 1.00 0.00 N ATOM 514 CA ILE A 37 -5.752 -0.943 -3.066 1.00 0.00 C ATOM 515 C ILE A 37 -5.965 -2.424 -2.744 1.00 0.00 C ATOM 516 O ILE A 37 -5.008 -3.193 -2.682 1.00 0.00 O ATOM 517 CB ILE A 37 -5.607 -0.059 -1.826 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.311 -0.374 -1.076 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.835 -0.176 -0.921 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.114 0.312 -1.738 1.00 0.00 C ATOM 0 H ILE A 37 -7.576 0.033 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.804 -0.865 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.546 0.979 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.397 -0.045 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.151 -1.452 -1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.705 0.463 -0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.723 0.137 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.953 -1.211 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.206 0.072 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.017 -0.038 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.266 1.391 -1.735 1.00 0.00 H new ATOM 532 N SER A 38 -7.227 -2.778 -2.547 1.00 0.00 N ATOM 533 CA SER A 38 -7.578 -4.153 -2.233 1.00 0.00 C ATOM 534 C SER A 38 -6.921 -5.103 -3.236 1.00 0.00 C ATOM 535 O SER A 38 -6.239 -6.049 -2.846 1.00 0.00 O ATOM 536 CB SER A 38 -9.095 -4.347 -2.233 1.00 0.00 C ATOM 537 OG SER A 38 -9.521 -5.219 -1.189 1.00 0.00 O ATOM 0 H SER A 38 -8.019 -2.137 -2.599 1.00 0.00 H new ATOM 0 HA SER A 38 -7.210 -4.380 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.584 -3.380 -2.120 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.409 -4.752 -3.195 1.00 0.00 H new ATOM 0 HG SER A 38 -10.496 -5.316 -1.221 1.00 0.00 H new ATOM 543 N ARG A 39 -7.150 -4.818 -4.510 1.00 0.00 N ATOM 544 CA ARG A 39 -6.589 -5.635 -5.572 1.00 0.00 C ATOM 545 C ARG A 39 -5.073 -5.760 -5.402 1.00 0.00 C ATOM 546 O ARG A 39 -4.492 -6.796 -5.722 1.00 0.00 O ATOM 547 CB ARG A 39 -6.893 -5.036 -6.947 1.00 0.00 C ATOM 548 CG ARG A 39 -7.703 -6.012 -7.803 1.00 0.00 C ATOM 549 CD ARG A 39 -8.731 -5.268 -8.658 1.00 0.00 C ATOM 550 NE ARG A 39 -10.099 -5.564 -8.177 1.00 0.00 N ATOM 551 CZ ARG A 39 -11.209 -5.366 -8.901 1.00 0.00 C ATOM 552 NH1 ARG A 39 -11.119 -4.871 -10.143 1.00 0.00 N ATOM 553 NH2 ARG A 39 -12.408 -5.664 -8.383 1.00 0.00 N ATOM 0 H ARG A 39 -7.717 -4.033 -4.830 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.048 -6.622 -5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.447 -4.105 -6.828 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.960 -4.789 -7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.032 -6.580 -8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.211 -6.730 -7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.545 -4.195 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.631 -5.565 -9.702 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.203 -5.942 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.206 -4.645 -10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.964 -4.720 -10.694 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.476 -6.041 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.253 -5.513 -8.934 1.00 0.00 H new ATOM 567 N ILE A 40 -4.476 -4.690 -4.898 1.00 0.00 N ATOM 568 CA ILE A 40 -3.040 -4.667 -4.681 1.00 0.00 C ATOM 569 C ILE A 40 -2.699 -5.523 -3.460 1.00 0.00 C ATOM 570 O ILE A 40 -1.691 -6.229 -3.453 1.00 0.00 O ATOM 571 CB ILE A 40 -2.536 -3.226 -4.582 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.069 -2.378 -5.738 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.009 -3.183 -4.497 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.784 -0.892 -5.506 1.00 0.00 C ATOM 0 H ILE A 40 -4.961 -3.833 -4.634 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.519 -5.105 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.922 -2.793 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.607 -2.699 -6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.143 -2.534 -5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.677 -2.147 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.678 -3.730 -3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.582 -3.642 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.173 -0.312 -6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.267 -0.568 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.708 -0.736 -5.426 1.00 0.00 H new ATOM 586 N GLN A 41 -3.558 -5.433 -2.455 1.00 0.00 N ATOM 587 CA GLN A 41 -3.360 -6.190 -1.231 1.00 0.00 C ATOM 588 C GLN A 41 -3.595 -7.680 -1.485 1.00 0.00 C ATOM 589 O GLN A 41 -2.959 -8.528 -0.860 1.00 0.00 O ATOM 590 CB GLN A 41 -4.270 -5.674 -0.114 1.00 0.00 C ATOM 591 CG GLN A 41 -3.695 -4.407 0.521 1.00 0.00 C ATOM 592 CD GLN A 41 -4.552 -3.947 1.702 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.238 -4.180 2.858 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.649 -3.283 1.348 1.00 0.00 N ATOM 0 H GLN A 41 -4.393 -4.847 -2.464 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.328 -6.055 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.262 -5.466 -0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.390 -6.445 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.676 -4.596 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.642 -3.614 -0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.852 -3.123 0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.287 -2.934 2.063 1.00 0.00 H new ATOM 603 N GLN A 42 -4.510 -7.954 -2.404 1.00 0.00 N ATOM 604 CA GLN A 42 -4.836 -9.328 -2.748 1.00 0.00 C ATOM 605 C GLN A 42 -3.893 -9.840 -3.838 1.00 0.00 C ATOM 606 O GLN A 42 -3.580 -11.029 -3.884 1.00 0.00 O ATOM 607 CB GLN A 42 -6.297 -9.451 -3.186 1.00 0.00 C ATOM 608 CG GLN A 42 -7.242 -9.287 -1.994 1.00 0.00 C ATOM 609 CD GLN A 42 -8.250 -10.437 -1.930 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.836 -10.838 -2.922 1.00 0.00 O ATOM 611 NE2 GLN A 42 -8.417 -10.943 -0.712 1.00 0.00 N ATOM 0 H GLN A 42 -5.035 -7.249 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.703 -9.946 -1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.520 -8.694 -3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.460 -10.422 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.665 -9.253 -1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.772 -8.338 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.894 -10.560 0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.068 -11.714 -0.565 1.00 0.00 H new ATOM 620 N GLU A 43 -3.465 -8.918 -4.688 1.00 0.00 N ATOM 621 CA GLU A 43 -2.564 -9.262 -5.774 1.00 0.00 C ATOM 622 C GLU A 43 -1.239 -9.788 -5.218 1.00 0.00 C ATOM 623 O GLU A 43 -0.800 -10.879 -5.579 1.00 0.00 O ATOM 624 CB GLU A 43 -2.334 -8.063 -6.696 1.00 0.00 C ATOM 625 CG GLU A 43 -3.394 -8.007 -7.798 1.00 0.00 C ATOM 626 CD GLU A 43 -3.063 -8.985 -8.927 1.00 0.00 C ATOM 627 OE1 GLU A 43 -3.154 -10.205 -8.667 1.00 0.00 O ATOM 628 OE2 GLU A 43 -2.726 -8.492 -10.025 1.00 0.00 O ATOM 0 H GLU A 43 -3.726 -7.933 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.026 -10.051 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.361 -7.142 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.342 -8.129 -7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.372 -8.246 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.457 -6.994 -8.196 1.00 0.00 H new ATOM 635 N SER A 44 -0.640 -8.988 -4.349 1.00 0.00 N ATOM 636 CA SER A 44 0.626 -9.359 -3.739 1.00 0.00 C ATOM 637 C SER A 44 0.376 -10.138 -2.447 1.00 0.00 C ATOM 638 O SER A 44 1.276 -10.800 -1.932 1.00 0.00 O ATOM 639 CB SER A 44 1.485 -8.124 -3.457 1.00 0.00 C ATOM 640 OG SER A 44 0.824 -7.200 -2.596 1.00 0.00 O ATOM 0 H SER A 44 -1.008 -8.084 -4.052 1.00 0.00 H new ATOM 0 HA SER A 44 1.170 -9.994 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.427 -8.433 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.731 -7.631 -4.397 1.00 0.00 H new ATOM 0 HG SER A 44 0.044 -6.825 -3.055 1.00 0.00 H new ATOM 646 N GLY A 45 -0.852 -10.034 -1.959 1.00 0.00 N ATOM 647 CA GLY A 45 -1.231 -10.721 -0.736 1.00 0.00 C ATOM 648 C GLY A 45 -0.562 -10.082 0.482 1.00 0.00 C ATOM 649 O GLY A 45 -0.449 -10.711 1.534 1.00 0.00 O ATOM 0 H GLY A 45 -1.597 -9.485 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.314 -10.690 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.947 -11.771 -0.802 1.00 0.00 H new ATOM 653 N CYS A 46 -0.134 -8.841 0.300 1.00 0.00 N ATOM 654 CA CYS A 46 0.522 -8.111 1.371 1.00 0.00 C ATOM 655 C CYS A 46 -0.479 -7.110 1.952 1.00 0.00 C ATOM 656 O CYS A 46 -1.445 -6.736 1.289 1.00 0.00 O ATOM 657 CB CYS A 46 1.801 -7.425 0.888 1.00 0.00 C ATOM 658 SG CYS A 46 3.144 -7.676 2.104 1.00 0.00 S ATOM 0 H CYS A 46 -0.229 -8.323 -0.573 1.00 0.00 H new ATOM 0 HA CYS A 46 0.834 -8.806 2.151 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.096 -7.829 -0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.621 -6.359 0.748 1.00 0.00 H new ATOM 0 HG CYS A 46 2.652 -7.640 3.307 1.00 0.00 H new ATOM 664 N LYS A 47 -0.212 -6.703 3.185 1.00 0.00 N ATOM 665 CA LYS A 47 -1.077 -5.752 3.863 1.00 0.00 C ATOM 666 C LYS A 47 -0.570 -4.332 3.602 1.00 0.00 C ATOM 667 O LYS A 47 0.637 -4.106 3.515 1.00 0.00 O ATOM 668 CB LYS A 47 -1.196 -6.100 5.348 1.00 0.00 C ATOM 669 CG LYS A 47 -2.535 -5.626 5.917 1.00 0.00 C ATOM 670 CD LYS A 47 -3.132 -6.674 6.857 1.00 0.00 C ATOM 671 CE LYS A 47 -3.174 -6.159 8.297 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.552 -5.766 8.667 1.00 0.00 N ATOM 0 H LYS A 47 0.591 -7.014 3.732 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.090 -5.807 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.101 -7.178 5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.378 -5.637 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.394 -4.688 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.230 -5.425 5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.140 -6.930 6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.540 -7.588 6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.815 -6.932 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.505 -5.305 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.563 -5.419 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.881 -5.013 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.182 -6.589 8.585 1.00 0.00 H new ATOM 686 N ILE A 48 -1.516 -3.412 3.485 1.00 0.00 N ATOM 687 CA ILE A 48 -1.180 -2.021 3.237 1.00 0.00 C ATOM 688 C ILE A 48 -2.019 -1.127 4.151 1.00 0.00 C ATOM 689 O ILE A 48 -3.219 -0.963 3.934 1.00 0.00 O ATOM 690 CB ILE A 48 -1.327 -1.691 1.750 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.356 -2.519 0.906 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.167 -0.190 1.502 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.937 -2.801 -0.481 1.00 0.00 C ATOM 0 H ILE A 48 -2.515 -3.603 3.557 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.134 -1.833 3.480 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.336 -1.962 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.590 -1.987 0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.140 -3.460 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.276 0.017 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.931 0.354 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.180 0.130 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.227 -3.391 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.870 -3.355 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.129 -1.858 -0.994 1.00 0.00 H new ATOM 705 N GLN A 49 -1.356 -0.572 5.155 1.00 0.00 N ATOM 706 CA GLN A 49 -2.026 0.302 6.103 1.00 0.00 C ATOM 707 C GLN A 49 -1.674 1.763 5.819 1.00 0.00 C ATOM 708 O GLN A 49 -0.554 2.198 6.083 1.00 0.00 O ATOM 709 CB GLN A 49 -1.673 -0.078 7.543 1.00 0.00 C ATOM 710 CG GLN A 49 -2.484 -1.291 8.004 1.00 0.00 C ATOM 711 CD GLN A 49 -1.611 -2.262 8.802 1.00 0.00 C ATOM 712 OE1 GLN A 49 -0.814 -3.010 8.261 1.00 0.00 O ATOM 713 NE2 GLN A 49 -1.805 -2.208 10.117 1.00 0.00 N ATOM 0 H GLN A 49 -0.361 -0.711 5.333 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.102 0.179 5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.608 -0.300 7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.867 0.767 8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.322 -0.961 8.618 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.905 -1.802 7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.489 -1.558 10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.270 -2.816 10.737 1.00 0.00 H new ATOM 722 N ILE A 50 -2.651 2.482 5.286 1.00 0.00 N ATOM 723 CA ILE A 50 -2.458 3.885 4.964 1.00 0.00 C ATOM 724 C ILE A 50 -3.183 4.746 6.000 1.00 0.00 C ATOM 725 O ILE A 50 -4.318 4.452 6.373 1.00 0.00 O ATOM 726 CB ILE A 50 -2.886 4.168 3.522 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.403 3.063 2.580 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.414 5.552 3.072 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.804 3.361 1.134 1.00 0.00 C ATOM 0 H ILE A 50 -3.579 2.119 5.069 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.401 4.145 5.016 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.975 4.171 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.319 2.970 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.825 2.107 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.731 5.728 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.847 6.313 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.327 5.602 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.449 2.560 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.890 3.430 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.360 4.306 0.821 1.00 0.00 H new ATOM 741 N ALA A 51 -2.497 5.793 6.437 1.00 0.00 N ATOM 742 CA ALA A 51 -3.062 6.698 7.423 1.00 0.00 C ATOM 743 C ALA A 51 -4.244 7.447 6.804 1.00 0.00 C ATOM 744 O ALA A 51 -4.309 7.614 5.587 1.00 0.00 O ATOM 745 CB ALA A 51 -1.972 7.646 7.929 1.00 0.00 C ATOM 0 H ALA A 51 -1.556 6.034 6.126 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.437 6.143 8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.395 8.325 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.169 7.067 8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.574 8.222 7.093 1.00 0.00 H new ATOM 821 N PRO A 58 4.514 15.617 1.928 1.00 0.00 N ATOM 822 CA PRO A 58 4.377 15.495 0.487 1.00 0.00 C ATOM 823 C PRO A 58 4.013 14.063 0.090 1.00 0.00 C ATOM 824 O PRO A 58 3.334 13.847 -0.912 1.00 0.00 O ATOM 825 CB PRO A 58 5.716 15.946 -0.075 1.00 0.00 C ATOM 826 CG PRO A 58 6.702 15.859 1.078 1.00 0.00 C ATOM 827 CD PRO A 58 5.905 15.708 2.364 1.00 0.00 C ATOM 0 HA PRO A 58 3.567 16.106 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.026 15.309 -0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.655 16.964 -0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.373 15.011 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.323 16.754 1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.207 14.817 2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.058 16.560 3.027 1.00 0.00 H new ATOM 835 N GLU A 59 4.482 13.122 0.896 1.00 0.00 N ATOM 836 CA GLU A 59 4.214 11.717 0.642 1.00 0.00 C ATOM 837 C GLU A 59 3.493 11.089 1.836 1.00 0.00 C ATOM 838 O GLU A 59 3.814 11.386 2.986 1.00 0.00 O ATOM 839 CB GLU A 59 5.506 10.962 0.322 1.00 0.00 C ATOM 840 CG GLU A 59 6.077 11.399 -1.028 1.00 0.00 C ATOM 841 CD GLU A 59 7.422 12.107 -0.852 1.00 0.00 C ATOM 842 OE1 GLU A 59 7.469 13.037 -0.018 1.00 0.00 O ATOM 843 OE2 GLU A 59 8.373 11.701 -1.554 1.00 0.00 O ATOM 0 H GLU A 59 5.046 13.305 1.726 1.00 0.00 H new ATOM 0 HA GLU A 59 3.563 11.643 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.241 11.142 1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.311 9.890 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.202 10.529 -1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.373 12.066 -1.526 1.00 0.00 H new ATOM 850 N ARG A 60 2.532 10.233 1.522 1.00 0.00 N ATOM 851 CA ARG A 60 1.763 9.560 2.556 1.00 0.00 C ATOM 852 C ARG A 60 2.466 8.272 2.987 1.00 0.00 C ATOM 853 O ARG A 60 2.845 7.457 2.148 1.00 0.00 O ATOM 854 CB ARG A 60 0.354 9.224 2.062 1.00 0.00 C ATOM 855 CG ARG A 60 -0.376 8.323 3.060 1.00 0.00 C ATOM 856 CD ARG A 60 -1.219 9.152 4.032 1.00 0.00 C ATOM 857 NE ARG A 60 -0.343 10.027 4.842 1.00 0.00 N ATOM 858 CZ ARG A 60 0.305 9.628 5.945 1.00 0.00 C ATOM 859 NH1 ARG A 60 0.181 8.365 6.375 1.00 0.00 N ATOM 860 NH2 ARG A 60 1.079 10.491 6.617 1.00 0.00 N ATOM 0 H ARG A 60 2.268 9.990 0.567 1.00 0.00 H new ATOM 0 HA ARG A 60 1.686 10.237 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.213 10.143 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.413 8.727 1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.016 7.623 2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.349 7.729 3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.939 9.756 3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.791 8.492 4.684 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.225 10.995 4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.407 7.707 5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.674 8.061 7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.175 11.452 6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.572 10.187 7.457 1.00 0.00 H new ATOM 874 N SER A 61 2.618 8.128 4.295 1.00 0.00 N ATOM 875 CA SER A 61 3.269 6.953 4.848 1.00 0.00 C ATOM 876 C SER A 61 2.297 5.771 4.856 1.00 0.00 C ATOM 877 O SER A 61 1.183 5.882 5.365 1.00 0.00 O ATOM 878 CB SER A 61 3.786 7.223 6.263 1.00 0.00 C ATOM 879 OG SER A 61 4.440 6.086 6.819 1.00 0.00 O ATOM 0 H SER A 61 2.301 8.806 4.988 1.00 0.00 H new ATOM 0 HA SER A 61 4.124 6.709 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.478 8.065 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.953 7.512 6.904 1.00 0.00 H new ATOM 0 HG SER A 61 4.757 6.300 7.721 1.00 0.00 H new ATOM 885 N CYS A 62 2.753 4.667 4.284 1.00 0.00 N ATOM 886 CA CYS A 62 1.938 3.466 4.218 1.00 0.00 C ATOM 887 C CYS A 62 2.729 2.314 4.841 1.00 0.00 C ATOM 888 O CYS A 62 3.772 1.920 4.323 1.00 0.00 O ATOM 889 CB CYS A 62 1.508 3.152 2.784 1.00 0.00 C ATOM 890 SG CYS A 62 0.683 4.609 2.045 1.00 0.00 S ATOM 0 H CYS A 62 3.677 4.579 3.862 1.00 0.00 H new ATOM 0 HA CYS A 62 1.016 3.618 4.779 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.377 2.874 2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.831 2.298 2.777 1.00 0.00 H new ATOM 0 HG CYS A 62 1.475 5.637 2.113 1.00 0.00 H new ATOM 896 N MET A 63 2.201 1.805 5.946 1.00 0.00 N ATOM 897 CA MET A 63 2.844 0.706 6.645 1.00 0.00 C ATOM 898 C MET A 63 2.371 -0.643 6.100 1.00 0.00 C ATOM 899 O MET A 63 1.194 -0.982 6.210 1.00 0.00 O ATOM 900 CB MET A 63 2.524 0.794 8.139 1.00 0.00 C ATOM 901 CG MET A 63 2.941 2.152 8.709 1.00 0.00 C ATOM 902 SD MET A 63 4.690 2.407 8.462 1.00 0.00 S ATOM 903 CE MET A 63 5.344 1.199 9.601 1.00 0.00 C ATOM 0 H MET A 63 1.335 2.134 6.373 1.00 0.00 H new ATOM 0 HA MET A 63 3.920 0.782 6.490 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.456 0.642 8.296 1.00 0.00 H new ATOM 0 HB3 MET A 63 3.041 -0.003 8.673 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.377 2.948 8.223 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.705 2.197 9.772 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.028 1.687 10.296 1.00 0.00 H new ATOM 0 HE2 MET A 63 4.525 0.743 10.158 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.879 0.428 9.046 1.00 0.00 H new ATOM 913 N LEU A 64 3.312 -1.375 5.523 1.00 0.00 N ATOM 914 CA LEU A 64 3.006 -2.679 4.961 1.00 0.00 C ATOM 915 C LEU A 64 3.322 -3.763 5.994 1.00 0.00 C ATOM 916 O LEU A 64 4.191 -3.579 6.845 1.00 0.00 O ATOM 917 CB LEU A 64 3.731 -2.871 3.627 1.00 0.00 C ATOM 918 CG LEU A 64 3.595 -1.728 2.619 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.889 -0.915 2.534 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.158 -2.254 1.250 1.00 0.00 C ATOM 0 H LEU A 64 4.287 -1.090 5.433 1.00 0.00 H new ATOM 0 HA LEU A 64 1.943 -2.755 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.791 -3.025 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.360 -3.785 3.163 1.00 0.00 H new ATOM 0 HG LEU A 64 2.814 -1.054 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.765 -0.109 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.118 -0.493 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.706 -1.564 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.069 -1.422 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.899 -2.961 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.194 -2.754 1.343 1.00 0.00 H new ATOM 932 N THR A 65 2.599 -4.868 5.885 1.00 0.00 N ATOM 933 CA THR A 65 2.792 -5.980 6.800 1.00 0.00 C ATOM 934 C THR A 65 2.617 -7.311 6.065 1.00 0.00 C ATOM 935 O THR A 65 1.580 -7.552 5.449 1.00 0.00 O ATOM 936 CB THR A 65 1.825 -5.802 7.972 1.00 0.00 C ATOM 937 OG1 THR A 65 2.187 -4.543 8.532 1.00 0.00 O ATOM 938 CG2 THR A 65 2.083 -6.801 9.102 1.00 0.00 C ATOM 0 H THR A 65 1.879 -5.017 5.178 1.00 0.00 H new ATOM 0 HA THR A 65 3.807 -5.994 7.197 1.00 0.00 H new ATOM 0 HB THR A 65 0.800 -5.913 7.617 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.608 -4.347 9.298 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.369 -6.631 9.908 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.967 -7.817 8.723 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.096 -6.668 9.481 1.00 0.00 H new ATOM 946 N GLY A 66 3.646 -8.140 6.155 1.00 0.00 N ATOM 947 CA GLY A 66 3.619 -9.440 5.506 1.00 0.00 C ATOM 948 C GLY A 66 5.017 -9.847 5.037 1.00 0.00 C ATOM 949 O GLY A 66 6.012 -9.246 5.441 1.00 0.00 O ATOM 0 H GLY A 66 4.504 -7.937 6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.231 -10.188 6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.940 -9.411 4.654 1.00 0.00 H new ATOM 953 N THR A 67 5.049 -10.866 4.190 1.00 0.00 N ATOM 954 CA THR A 67 6.308 -11.361 3.661 1.00 0.00 C ATOM 955 C THR A 67 7.074 -10.235 2.964 1.00 0.00 C ATOM 956 O THR A 67 6.491 -9.212 2.606 1.00 0.00 O ATOM 957 CB THR A 67 6.003 -12.547 2.744 1.00 0.00 C ATOM 958 OG1 THR A 67 5.313 -11.964 1.642 1.00 0.00 O ATOM 959 CG2 THR A 67 4.984 -13.512 3.354 1.00 0.00 C ATOM 0 H THR A 67 4.222 -11.362 3.857 1.00 0.00 H new ATOM 0 HA THR A 67 6.962 -11.710 4.460 1.00 0.00 H new ATOM 0 HB THR A 67 6.926 -13.084 2.526 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.347 -12.003 1.803 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.803 -14.335 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.373 -13.905 4.293 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.049 -12.984 3.541 1.00 0.00 H new ATOM 967 N PRO A 68 8.402 -10.466 2.787 1.00 0.00 N ATOM 968 CA PRO A 68 9.253 -9.482 2.139 1.00 0.00 C ATOM 969 C PRO A 68 9.019 -9.467 0.627 1.00 0.00 C ATOM 970 O PRO A 68 9.105 -8.417 -0.008 1.00 0.00 O ATOM 971 CB PRO A 68 10.671 -9.879 2.516 1.00 0.00 C ATOM 972 CG PRO A 68 10.591 -11.327 2.972 1.00 0.00 C ATOM 973 CD PRO A 68 9.127 -11.665 3.198 1.00 0.00 C ATOM 0 HA PRO A 68 9.040 -8.463 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.345 -9.774 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.057 -9.240 3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.024 -11.988 2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.162 -11.470 3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.825 -12.531 2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.933 -11.906 4.243 1.00 0.00 H new ATOM 981 N GLU A 69 8.729 -10.644 0.093 1.00 0.00 N ATOM 982 CA GLU A 69 8.482 -10.779 -1.333 1.00 0.00 C ATOM 983 C GLU A 69 7.115 -10.194 -1.693 1.00 0.00 C ATOM 984 O GLU A 69 6.883 -9.808 -2.837 1.00 0.00 O ATOM 985 CB GLU A 69 8.585 -12.242 -1.771 1.00 0.00 C ATOM 986 CG GLU A 69 9.949 -12.531 -2.400 1.00 0.00 C ATOM 987 CD GLU A 69 10.518 -13.857 -1.888 1.00 0.00 C ATOM 988 OE1 GLU A 69 9.806 -14.874 -2.034 1.00 0.00 O ATOM 989 OE2 GLU A 69 11.652 -13.823 -1.364 1.00 0.00 O ATOM 0 H GLU A 69 8.659 -11.513 0.622 1.00 0.00 H new ATOM 0 HA GLU A 69 9.248 -10.218 -1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.431 -12.894 -0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.795 -12.467 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.853 -12.567 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.640 -11.721 -2.168 1.00 0.00 H new ATOM 996 N SER A 70 6.246 -10.146 -0.694 1.00 0.00 N ATOM 997 CA SER A 70 4.908 -9.614 -0.891 1.00 0.00 C ATOM 998 C SER A 70 4.940 -8.085 -0.839 1.00 0.00 C ATOM 999 O SER A 70 4.237 -7.420 -1.597 1.00 0.00 O ATOM 1000 CB SER A 70 3.938 -10.161 0.158 1.00 0.00 C ATOM 1001 OG SER A 70 3.658 -11.544 -0.043 1.00 0.00 O ATOM 0 H SER A 70 6.442 -10.467 0.254 1.00 0.00 H new ATOM 0 HA SER A 70 4.555 -9.930 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.361 -10.018 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.008 -9.594 0.122 1.00 0.00 H new ATOM 0 HG SER A 70 4.464 -12.071 0.139 1.00 0.00 H new ATOM 1007 N VAL A 71 5.764 -7.573 0.064 1.00 0.00 N ATOM 1008 CA VAL A 71 5.896 -6.135 0.225 1.00 0.00 C ATOM 1009 C VAL A 71 6.408 -5.525 -1.081 1.00 0.00 C ATOM 1010 O VAL A 71 5.865 -4.532 -1.562 1.00 0.00 O ATOM 1011 CB VAL A 71 6.795 -5.824 1.423 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.207 -4.350 1.431 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.112 -6.209 2.736 1.00 0.00 C ATOM 0 H VAL A 71 6.346 -8.128 0.691 1.00 0.00 H new ATOM 0 HA VAL A 71 4.927 -5.683 0.436 1.00 0.00 H new ATOM 0 HB VAL A 71 7.700 -6.425 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.846 -4.155 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.752 -4.120 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.317 -3.724 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.773 -5.977 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.184 -5.648 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.892 -7.277 2.732 1.00 0.00 H new ATOM 1023 N GLN A 72 7.449 -6.145 -1.619 1.00 0.00 N ATOM 1024 CA GLN A 72 8.040 -5.675 -2.860 1.00 0.00 C ATOM 1025 C GLN A 72 6.997 -5.676 -3.979 1.00 0.00 C ATOM 1026 O GLN A 72 6.687 -4.628 -4.544 1.00 0.00 O ATOM 1027 CB GLN A 72 9.255 -6.522 -3.243 1.00 0.00 C ATOM 1028 CG GLN A 72 10.376 -5.649 -3.811 1.00 0.00 C ATOM 1029 CD GLN A 72 10.991 -6.288 -5.058 1.00 0.00 C ATOM 1030 OE1 GLN A 72 10.318 -6.907 -5.866 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.303 -6.104 -5.169 1.00 0.00 N ATOM 0 H GLN A 72 7.898 -6.968 -1.218 1.00 0.00 H new ATOM 0 HA GLN A 72 8.383 -4.651 -2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.617 -7.061 -2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.963 -7.270 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.983 -4.663 -4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.147 -5.504 -3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.806 -5.575 -4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.807 -6.491 -5.967 1.00 0.00 H new ATOM 1040 N SER A 73 6.484 -6.863 -4.266 1.00 0.00 N ATOM 1041 CA SER A 73 5.482 -7.014 -5.307 1.00 0.00 C ATOM 1042 C SER A 73 4.425 -5.915 -5.180 1.00 0.00 C ATOM 1043 O SER A 73 4.166 -5.185 -6.135 1.00 0.00 O ATOM 1044 CB SER A 73 4.823 -8.393 -5.242 1.00 0.00 C ATOM 1045 OG SER A 73 5.782 -9.437 -5.102 1.00 0.00 O ATOM 0 H SER A 73 6.744 -7.730 -3.795 1.00 0.00 H new ATOM 0 HA SER A 73 5.978 -6.923 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.129 -8.424 -4.402 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.237 -8.558 -6.146 1.00 0.00 H new ATOM 0 HG SER A 73 5.901 -9.646 -4.152 1.00 0.00 H new ATOM 1051 N ALA A 74 3.845 -5.831 -3.992 1.00 0.00 N ATOM 1052 CA ALA A 74 2.823 -4.833 -3.727 1.00 0.00 C ATOM 1053 C ALA A 74 3.358 -3.449 -4.101 1.00 0.00 C ATOM 1054 O ALA A 74 2.733 -2.726 -4.875 1.00 0.00 O ATOM 1055 CB ALA A 74 2.395 -4.916 -2.260 1.00 0.00 C ATOM 0 H ALA A 74 4.063 -6.438 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 74 1.938 -5.020 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.628 -4.167 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.995 -5.909 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.257 -4.732 -1.619 1.00 0.00 H new ATOM 1061 N LYS A 75 4.510 -3.122 -3.533 1.00 0.00 N ATOM 1062 CA LYS A 75 5.137 -1.838 -3.797 1.00 0.00 C ATOM 1063 C LYS A 75 5.068 -1.541 -5.296 1.00 0.00 C ATOM 1064 O LYS A 75 4.578 -0.488 -5.702 1.00 0.00 O ATOM 1065 CB LYS A 75 6.557 -1.808 -3.229 1.00 0.00 C ATOM 1066 CG LYS A 75 6.550 -1.386 -1.758 1.00 0.00 C ATOM 1067 CD LYS A 75 7.762 -1.955 -1.018 1.00 0.00 C ATOM 1068 CE LYS A 75 8.963 -1.014 -1.128 1.00 0.00 C ATOM 1069 NZ LYS A 75 10.120 -1.717 -1.726 1.00 0.00 N ATOM 0 H LYS A 75 5.025 -3.724 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 75 4.598 -1.039 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.012 -2.794 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.169 -1.116 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.555 -0.298 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.633 -1.732 -1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.512 -2.110 0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.020 -2.930 -1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.700 -0.150 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.229 -0.638 -0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.926 -1.064 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.380 -2.528 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.868 -2.054 -2.677 1.00 0.00 H new ATOM 1083 N ARG A 76 5.565 -2.487 -6.079 1.00 0.00 N ATOM 1084 CA ARG A 76 5.567 -2.340 -7.524 1.00 0.00 C ATOM 1085 C ARG A 76 4.174 -1.945 -8.018 1.00 0.00 C ATOM 1086 O ARG A 76 4.038 -1.065 -8.867 1.00 0.00 O ATOM 1087 CB ARG A 76 5.995 -3.639 -8.210 1.00 0.00 C ATOM 1088 CG ARG A 76 7.505 -3.853 -8.084 1.00 0.00 C ATOM 1089 CD ARG A 76 8.230 -3.406 -9.355 1.00 0.00 C ATOM 1090 NE ARG A 76 9.508 -4.139 -9.493 1.00 0.00 N ATOM 1091 CZ ARG A 76 9.599 -5.436 -9.818 1.00 0.00 C ATOM 1092 NH1 ARG A 76 8.488 -6.150 -10.042 1.00 0.00 N ATOM 1093 NH2 ARG A 76 10.802 -6.018 -9.921 1.00 0.00 N ATOM 0 H ARG A 76 5.970 -3.359 -5.739 1.00 0.00 H new ATOM 0 HA ARG A 76 6.282 -1.557 -7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.466 -4.481 -7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.715 -3.608 -9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.885 -3.294 -7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.712 -4.906 -7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.601 -3.589 -10.226 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.419 -2.333 -9.318 1.00 0.00 H new ATOM 0 HE ARG A 76 10.374 -3.625 -9.331 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.573 -5.707 -9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.557 -7.137 -10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.648 -5.474 -9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.871 -7.005 -10.168 1.00 0.00 H new ATOM 1107 N LEU A 77 3.173 -2.615 -7.466 1.00 0.00 N ATOM 1108 CA LEU A 77 1.795 -2.346 -7.841 1.00 0.00 C ATOM 1109 C LEU A 77 1.438 -0.909 -7.456 1.00 0.00 C ATOM 1110 O LEU A 77 0.732 -0.222 -8.193 1.00 0.00 O ATOM 1111 CB LEU A 77 0.860 -3.394 -7.234 1.00 0.00 C ATOM 1112 CG LEU A 77 0.946 -4.798 -7.838 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.302 -5.833 -6.912 1.00 0.00 C ATOM 1114 CD2 LEU A 77 0.339 -4.829 -9.242 1.00 0.00 C ATOM 0 H LEU A 77 3.289 -3.344 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 77 1.671 -2.428 -8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.070 -3.465 -6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.166 -3.039 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 77 1.998 -5.064 -7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.376 -6.822 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.818 -5.833 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.748 -5.582 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.413 -5.838 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.709 -4.534 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.880 -4.137 -9.888 1.00 0.00 H new ATOM 1126 N LEU A 78 1.944 -0.496 -6.303 1.00 0.00 N ATOM 1127 CA LEU A 78 1.688 0.848 -5.812 1.00 0.00 C ATOM 1128 C LEU A 78 2.430 1.857 -6.690 1.00 0.00 C ATOM 1129 O LEU A 78 1.806 2.653 -7.391 1.00 0.00 O ATOM 1130 CB LEU A 78 2.037 0.951 -4.326 1.00 0.00 C ATOM 1131 CG LEU A 78 1.193 0.097 -3.378 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.735 0.166 -1.949 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.283 0.491 -3.451 1.00 0.00 C ATOM 0 H LEU A 78 2.530 -1.068 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 78 0.626 1.084 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.083 0.673 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.945 1.994 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 78 1.264 -0.942 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.117 -0.450 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.761 -0.202 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.714 1.199 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.860 -0.132 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.394 1.538 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.648 0.348 -4.468 1.00 0.00 H new ATOM 1145 N ASP A 79 3.752 1.792 -6.623 1.00 0.00 N ATOM 1146 CA ASP A 79 4.586 2.691 -7.403 1.00 0.00 C ATOM 1147 C ASP A 79 3.998 2.835 -8.808 1.00 0.00 C ATOM 1148 O ASP A 79 4.080 3.903 -9.413 1.00 0.00 O ATOM 1149 CB ASP A 79 6.008 2.143 -7.539 1.00 0.00 C ATOM 1150 CG ASP A 79 7.120 3.173 -7.329 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.785 4.377 -7.326 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.279 2.732 -7.175 1.00 0.00 O ATOM 0 H ASP A 79 4.266 1.131 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 79 4.617 3.652 -6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.141 1.335 -6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.120 1.707 -8.532 1.00 0.00 H new ATOM 1157 N GLN A 80 3.418 1.744 -9.287 1.00 0.00 N ATOM 1158 CA GLN A 80 2.817 1.735 -10.609 1.00 0.00 C ATOM 1159 C GLN A 80 1.738 2.815 -10.709 1.00 0.00 C ATOM 1160 O GLN A 80 1.826 3.709 -11.550 1.00 0.00 O ATOM 1161 CB GLN A 80 2.244 0.356 -10.942 1.00 0.00 C ATOM 1162 CG GLN A 80 2.999 -0.286 -12.107 1.00 0.00 C ATOM 1163 CD GLN A 80 2.168 -0.242 -13.391 1.00 0.00 C ATOM 1164 OE1 GLN A 80 1.841 0.811 -13.914 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.844 -1.441 -13.867 1.00 0.00 N ATOM 0 H GLN A 80 3.352 0.860 -8.782 1.00 0.00 H new ATOM 0 HA GLN A 80 3.594 1.956 -11.341 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.306 -0.288 -10.065 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.188 0.449 -11.196 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.944 0.234 -12.263 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.241 -1.320 -11.862 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.150 -2.283 -13.380 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.289 -1.518 -14.719 1.00 0.00 H new ATOM 1174 N ILE A 81 0.746 2.698 -9.840 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.348 3.654 -9.820 1.00 0.00 C ATOM 1176 C ILE A 81 0.207 5.063 -10.037 1.00 0.00 C ATOM 1177 O ILE A 81 -0.238 5.779 -10.933 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.165 3.507 -8.535 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.943 2.190 -8.528 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -2.081 4.715 -8.325 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.534 1.909 -7.145 1.00 0.00 C ATOM 0 H ILE A 81 0.676 1.956 -9.144 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.042 3.455 -10.637 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.474 3.478 -7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.743 2.232 -9.267 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.283 1.372 -8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.650 4.584 -7.405 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.478 5.620 -8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.768 4.802 -9.167 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.082 0.967 -7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.730 1.843 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.212 2.716 -6.868 1.00 0.00 H new ATOM 1193 N VAL A 82 1.172 5.420 -9.201 1.00 0.00 N ATOM 1194 CA VAL A 82 1.793 6.730 -9.290 1.00 0.00 C ATOM 1195 C VAL A 82 2.261 6.971 -10.727 1.00 0.00 C ATOM 1196 O VAL A 82 1.888 7.966 -11.347 1.00 0.00 O ATOM 1197 CB VAL A 82 2.923 6.845 -8.266 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.523 8.253 -8.266 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.438 6.455 -6.868 1.00 0.00 C ATOM 0 H VAL A 82 1.539 4.824 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 82 1.073 7.511 -9.047 1.00 0.00 H new ATOM 0 HB VAL A 82 3.709 6.147 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.324 8.307 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.924 8.478 -9.254 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.749 8.978 -8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.261 6.546 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.625 7.116 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.082 5.425 -6.881 1.00 0.00 H new