USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 529 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 31 THR OG1 : rot -130:sc= 1.3 USER MOD Set 1.2: A 46 THR OG1 : rot -170:sc= 0.956 USER MOD Set 2.1: A 23 LYS NZ :NH3+ -111:sc= 0.872 (180deg=0.46) USER MOD Set 2.2: A 26 GLN : amide:sc= 0.838 K(o=1.7,f=-6.1!) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.171 (180deg=-0.765) USER MOD Single : A 5 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.26) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ILE N :NH3+ -158:sc= -0.282 (180deg=-0.957) USER MOD Single : A 10 CYS SG : rot 51:sc= -1.39! USER MOD Single : A 18 GLN : amide:sc= -0.0128 K(o=-0.013,f=-0.9) USER MOD Single : A 22 GLN : amide:sc= -0.0721 X(o=-0.072,f=-0.57) USER MOD Single : A 29 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.81) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 127:sc= 0.466 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 40:sc= 0.0275 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 46.385 9.365 30.434 1.00 0.00 N ATOM 182 CA ILE A -3 46.517 9.877 29.082 1.00 0.00 C ATOM 183 C ILE A -3 47.926 10.393 28.869 1.00 0.00 C ATOM 184 O ILE A -3 48.720 9.791 28.142 1.00 0.00 O ATOM 185 CB ILE A -3 45.504 11.016 28.812 1.00 0.00 C ATOM 186 CG1 ILE A -3 44.098 10.570 29.212 1.00 0.00 C ATOM 187 CG2 ILE A -3 45.541 11.429 27.342 1.00 0.00 C ATOM 188 CD1 ILE A -3 43.049 11.651 29.088 1.00 0.00 C ATOM 0 H1 ILE A -3 45.590 8.696 30.476 1.00 0.00 H new ATOM 0 H2 ILE A -3 47.262 8.878 30.708 1.00 0.00 H new ATOM 0 H3 ILE A -3 46.208 10.154 31.088 1.00 0.00 H new ATOM 0 HA ILE A -3 46.309 9.062 28.388 1.00 0.00 H new ATOM 0 HB ILE A -3 45.780 11.882 29.414 1.00 0.00 H new ATOM 0 HG12 ILE A -3 43.807 9.723 28.591 1.00 0.00 H new ATOM 0 HG13 ILE A -3 44.120 10.217 30.243 1.00 0.00 H new ATOM 0 HG21 ILE A -3 44.822 12.231 27.171 1.00 0.00 H new ATOM 0 HG22 ILE A -3 46.542 11.778 27.087 1.00 0.00 H new ATOM 0 HG23 ILE A -3 45.285 10.573 26.717 1.00 0.00 H new ATOM 0 HD11 ILE A -3 42.080 11.254 29.390 1.00 0.00 H new ATOM 0 HD12 ILE A -3 43.314 12.490 29.731 1.00 0.00 H new ATOM 0 HD13 ILE A -3 42.996 11.989 28.053 1.00 0.00 H new ATOM 200 N GLU A -2 48.242 11.480 29.542 1.00 0.00 N ATOM 201 CA GLU A -2 49.543 12.090 29.454 1.00 0.00 C ATOM 202 C GLU A -2 50.572 11.181 30.100 1.00 0.00 C ATOM 203 O GLU A -2 50.554 10.951 31.311 1.00 0.00 O ATOM 204 CB GLU A -2 49.519 13.459 30.119 1.00 0.00 C ATOM 205 CG GLU A -2 50.837 14.205 30.069 1.00 0.00 C ATOM 206 CD GLU A -2 50.697 15.640 30.514 1.00 0.00 C ATOM 207 OE1 GLU A -2 50.518 15.882 31.724 1.00 0.00 O ATOM 208 OE2 GLU A -2 50.751 16.540 29.652 1.00 0.00 O ATOM 0 H GLU A -2 47.597 11.964 30.167 1.00 0.00 H new ATOM 0 HA GLU A -2 49.816 12.230 28.408 1.00 0.00 H new ATOM 0 HB2 GLU A -2 48.753 14.068 29.640 1.00 0.00 H new ATOM 0 HB3 GLU A -2 49.224 13.338 31.161 1.00 0.00 H new ATOM 0 HG2 GLU A -2 51.563 13.699 30.704 1.00 0.00 H new ATOM 0 HG3 GLU A -2 51.229 14.178 29.052 1.00 0.00 H new ATOM 215 N GLY A -1 51.441 10.649 29.283 1.00 0.00 N ATOM 216 CA GLY A -1 52.423 9.704 29.742 1.00 0.00 C ATOM 217 C GLY A -1 52.361 8.460 28.905 1.00 0.00 C ATOM 218 O GLY A -1 53.362 7.782 28.696 1.00 0.00 O ATOM 0 H GLY A -1 51.488 10.857 28.286 1.00 0.00 H new ATOM 0 HA2 GLY A -1 53.419 10.143 29.684 1.00 0.00 H new ATOM 0 HA3 GLY A -1 52.244 9.458 30.789 1.00 0.00 H new ATOM 222 N ARG A 0 51.167 8.157 28.421 1.00 0.00 N ATOM 223 CA ARG A 0 50.962 7.034 27.525 1.00 0.00 C ATOM 224 C ARG A 0 50.901 7.587 26.124 1.00 0.00 C ATOM 225 O ARG A 0 51.801 7.393 25.312 1.00 0.00 O ATOM 226 CB ARG A 0 49.631 6.313 27.824 1.00 0.00 C ATOM 227 CG ARG A 0 49.222 6.275 29.290 1.00 0.00 C ATOM 228 CD ARG A 0 50.019 5.244 30.092 1.00 0.00 C ATOM 229 NE ARG A 0 51.461 5.495 30.073 1.00 0.00 N ATOM 230 CZ ARG A 0 52.386 4.558 29.841 1.00 0.00 C ATOM 231 NH1 ARG A 0 52.019 3.300 29.607 1.00 0.00 N ATOM 232 NH2 ARG A 0 53.673 4.881 29.840 1.00 0.00 N ATOM 0 H ARG A 0 50.318 8.680 28.637 1.00 0.00 H new ATOM 0 HA ARG A 0 51.773 6.317 27.651 1.00 0.00 H new ATOM 0 HB2 ARG A 0 48.838 6.800 27.256 1.00 0.00 H new ATOM 0 HB3 ARG A 0 49.702 5.289 27.458 1.00 0.00 H new ATOM 0 HG2 ARG A 0 49.364 7.262 29.730 1.00 0.00 H new ATOM 0 HG3 ARG A 0 48.159 6.044 29.362 1.00 0.00 H new ATOM 0 HD2 ARG A 0 49.669 5.246 31.124 1.00 0.00 H new ATOM 0 HD3 ARG A 0 49.824 4.250 29.691 1.00 0.00 H new ATOM 0 HE ARG A 0 51.781 6.447 30.248 1.00 0.00 H new ATOM 0 HH11 ARG A 0 51.030 3.049 29.604 1.00 0.00 H new ATOM 0 HH12 ARG A 0 52.726 2.587 29.430 1.00 0.00 H new ATOM 0 HH21 ARG A 0 53.957 5.845 30.016 1.00 0.00 H new ATOM 0 HH22 ARG A 0 54.378 4.166 29.663 1.00 0.00 H new ATOM 246 N MET A 1 49.836 8.318 25.875 1.00 0.00 N ATOM 247 CA MET A 1 49.603 8.962 24.617 1.00 0.00 C ATOM 248 C MET A 1 49.858 10.456 24.757 1.00 0.00 C ATOM 249 O MET A 1 49.190 11.142 25.527 1.00 0.00 O ATOM 250 CB MET A 1 48.158 8.698 24.134 1.00 0.00 C ATOM 251 CG MET A 1 47.070 8.991 25.176 1.00 0.00 C ATOM 252 SD MET A 1 46.930 7.721 26.456 1.00 0.00 S ATOM 253 CE MET A 1 46.410 6.308 25.485 1.00 0.00 C ATOM 0 H MET A 1 49.098 8.479 26.560 1.00 0.00 H new ATOM 0 HA MET A 1 50.287 8.553 23.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.968 9.306 23.250 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.077 7.655 23.827 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.281 9.950 25.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.110 9.090 24.669 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.884 5.600 26.126 1.00 0.00 H new ATOM 0 HE2 MET A 1 45.745 6.639 24.688 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.284 5.824 25.050 1.00 0.00 H new ATOM 263 N ASP A 2 50.845 10.948 24.040 1.00 0.00 N ATOM 264 CA ASP A 2 51.199 12.356 24.092 1.00 0.00 C ATOM 265 C ASP A 2 51.665 12.825 22.723 1.00 0.00 C ATOM 266 O ASP A 2 51.982 12.000 21.863 1.00 0.00 O ATOM 267 CB ASP A 2 52.294 12.587 25.144 1.00 0.00 C ATOM 268 CG ASP A 2 52.654 14.048 25.314 1.00 0.00 C ATOM 269 OD1 ASP A 2 51.735 14.880 25.464 1.00 0.00 O ATOM 270 OD2 ASP A 2 53.860 14.371 25.317 1.00 0.00 O ATOM 0 H ASP A 2 51.422 10.392 23.409 1.00 0.00 H new ATOM 0 HA ASP A 2 50.320 12.934 24.377 1.00 0.00 H new ATOM 0 HB2 ASP A 2 51.960 12.187 26.101 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.186 12.030 24.860 1.00 0.00 H new ATOM 275 N VAL A 3 51.694 14.131 22.511 1.00 0.00 N ATOM 276 CA VAL A 3 52.133 14.686 21.239 1.00 0.00 C ATOM 277 C VAL A 3 53.570 14.259 20.932 1.00 0.00 C ATOM 278 O VAL A 3 54.468 14.409 21.759 1.00 0.00 O ATOM 279 CB VAL A 3 52.011 16.231 21.201 1.00 0.00 C ATOM 280 CG1 VAL A 3 50.551 16.647 21.281 1.00 0.00 C ATOM 281 CG2 VAL A 3 52.800 16.870 22.331 1.00 0.00 C ATOM 0 H VAL A 3 51.419 14.828 23.203 1.00 0.00 H new ATOM 0 HA VAL A 3 51.471 14.288 20.470 1.00 0.00 H new ATOM 0 HB VAL A 3 52.428 16.579 20.256 1.00 0.00 H new ATOM 0 HG11 VAL A 3 50.480 17.734 21.253 1.00 0.00 H new ATOM 0 HG12 VAL A 3 50.006 16.226 20.436 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.118 16.279 22.211 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.696 17.954 22.280 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.418 16.514 23.288 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.852 16.601 22.237 1.00 0.00 H new ATOM 291 N GLY A 4 53.770 13.706 19.756 1.00 0.00 N ATOM 292 CA GLY A 4 55.080 13.213 19.388 1.00 0.00 C ATOM 293 C GLY A 4 55.125 11.704 19.409 1.00 0.00 C ATOM 294 O GLY A 4 55.994 11.086 18.790 1.00 0.00 O ATOM 0 H GLY A 4 53.050 13.587 19.043 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.340 13.573 18.392 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.827 13.611 20.075 1.00 0.00 H new ATOM 298 N GLN A 5 54.185 11.109 20.127 1.00 0.00 N ATOM 299 CA GLN A 5 54.083 9.666 20.210 1.00 0.00 C ATOM 300 C GLN A 5 53.302 9.136 19.029 1.00 0.00 C ATOM 301 O GLN A 5 52.452 9.837 18.471 1.00 0.00 O ATOM 302 CB GLN A 5 53.395 9.245 21.513 1.00 0.00 C ATOM 303 CG GLN A 5 54.204 9.528 22.766 1.00 0.00 C ATOM 304 CD GLN A 5 55.494 8.745 22.800 1.00 0.00 C ATOM 305 OE1 GLN A 5 56.530 9.214 22.330 1.00 0.00 O ATOM 306 NE2 GLN A 5 55.442 7.549 23.349 1.00 0.00 N ATOM 0 H GLN A 5 53.478 11.611 20.664 1.00 0.00 H new ATOM 0 HA GLN A 5 55.090 9.249 20.197 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.438 9.761 21.588 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.179 8.178 21.468 1.00 0.00 H new ATOM 0 HG2 GLN A 5 54.426 10.594 22.820 1.00 0.00 H new ATOM 0 HG3 GLN A 5 53.608 9.282 23.645 1.00 0.00 H new ATOM 0 HE21 GLN A 5 54.561 7.199 23.727 1.00 0.00 H new ATOM 0 HE22 GLN A 5 56.282 6.973 23.397 1.00 0.00 H new ATOM 315 N LYS A 6 53.590 7.918 18.639 1.00 0.00 N ATOM 316 CA LYS A 6 52.888 7.305 17.541 1.00 0.00 C ATOM 317 C LYS A 6 51.751 6.461 18.058 1.00 0.00 C ATOM 318 O LYS A 6 51.818 5.920 19.160 1.00 0.00 O ATOM 319 CB LYS A 6 53.826 6.455 16.693 1.00 0.00 C ATOM 320 CG LYS A 6 54.866 7.254 15.939 1.00 0.00 C ATOM 321 CD LYS A 6 55.683 6.358 15.032 1.00 0.00 C ATOM 322 CE LYS A 6 56.544 7.169 14.089 1.00 0.00 C ATOM 323 NZ LYS A 6 57.389 6.302 13.231 1.00 0.00 N ATOM 0 H LYS A 6 54.307 7.332 19.067 1.00 0.00 H new ATOM 0 HA LYS A 6 52.488 8.099 16.911 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.332 5.736 17.338 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.235 5.882 15.979 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.377 8.028 15.348 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.524 7.760 16.645 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.315 5.706 15.635 1.00 0.00 H new ATOM 0 HD3 LYS A 6 55.017 5.714 14.457 1.00 0.00 H new ATOM 0 HE2 LYS A 6 55.908 7.792 13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 6 57.180 7.841 14.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.964 6.894 12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 58.014 5.725 13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 56.781 5.678 12.663 1.00 0.00 H new ATOM 337 N VAL A 7 50.709 6.359 17.276 1.00 0.00 N ATOM 338 CA VAL A 7 49.552 5.580 17.647 1.00 0.00 C ATOM 339 C VAL A 7 48.982 4.855 16.452 1.00 0.00 C ATOM 340 O VAL A 7 49.190 5.262 15.307 1.00 0.00 O ATOM 341 CB VAL A 7 48.441 6.442 18.292 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.780 6.781 19.734 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.213 7.708 17.489 1.00 0.00 C ATOM 0 H VAL A 7 50.636 6.812 16.365 1.00 0.00 H new ATOM 0 HA VAL A 7 49.897 4.858 18.387 1.00 0.00 H new ATOM 0 HB VAL A 7 47.520 5.859 18.289 1.00 0.00 H new ATOM 0 HG11 VAL A 7 47.982 7.387 20.162 1.00 0.00 H new ATOM 0 HG12 VAL A 7 48.885 5.861 20.309 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.716 7.338 19.766 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.428 8.300 17.959 1.00 0.00 H new ATOM 0 HG22 VAL A 7 49.135 8.289 17.455 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.912 7.446 16.475 1.00 0.00 H new ATOM 353 N ARG A 8 48.281 3.783 16.719 1.00 0.00 N ATOM 354 CA ARG A 8 47.659 3.004 15.677 1.00 0.00 C ATOM 355 C ARG A 8 46.203 2.761 16.016 1.00 0.00 C ATOM 356 O ARG A 8 45.885 2.293 17.115 1.00 0.00 O ATOM 357 CB ARG A 8 48.383 1.672 15.509 1.00 0.00 C ATOM 358 CG ARG A 8 47.895 0.849 14.329 1.00 0.00 C ATOM 359 CD ARG A 8 48.657 -0.455 14.221 1.00 0.00 C ATOM 360 NE ARG A 8 48.325 -1.185 13.005 1.00 0.00 N ATOM 361 CZ ARG A 8 48.510 -2.491 12.838 1.00 0.00 C ATOM 362 NH1 ARG A 8 48.992 -3.239 13.828 1.00 0.00 N ATOM 363 NH2 ARG A 8 48.213 -3.051 11.675 1.00 0.00 N ATOM 0 H ARG A 8 48.125 3.426 17.662 1.00 0.00 H new ATOM 0 HA ARG A 8 47.721 3.557 14.740 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.450 1.862 15.390 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.263 1.087 16.421 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.830 0.643 14.441 1.00 0.00 H new ATOM 0 HG3 ARG A 8 48.014 1.421 13.409 1.00 0.00 H new ATOM 0 HD2 ARG A 8 49.728 -0.251 14.240 1.00 0.00 H new ATOM 0 HD3 ARG A 8 48.435 -1.077 15.088 1.00 0.00 H new ATOM 0 HE ARG A 8 47.923 -0.659 12.229 1.00 0.00 H new ATOM 0 HH11 ARG A 8 49.223 -2.811 14.725 1.00 0.00 H new ATOM 0 HH12 ARG A 8 49.130 -4.240 13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 8 47.845 -2.481 10.914 1.00 0.00 H new ATOM 0 HH22 ARG A 8 48.353 -4.052 11.541 1.00 0.00 H new ATOM 377 N VAL A 9 45.323 3.090 15.090 1.00 0.00 N ATOM 378 CA VAL A 9 43.894 2.883 15.286 1.00 0.00 C ATOM 379 C VAL A 9 43.603 1.395 15.295 1.00 0.00 C ATOM 380 O VAL A 9 43.915 0.696 14.338 1.00 0.00 O ATOM 381 CB VAL A 9 43.075 3.562 14.171 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.596 3.550 14.510 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.564 4.981 13.936 1.00 0.00 C ATOM 0 H VAL A 9 45.570 3.503 14.191 1.00 0.00 H new ATOM 0 HA VAL A 9 43.606 3.329 16.238 1.00 0.00 H new ATOM 0 HB VAL A 9 43.216 2.997 13.249 1.00 0.00 H new ATOM 0 HG11 VAL A 9 41.035 4.034 13.710 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.256 2.520 14.619 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.432 4.087 15.444 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.973 5.443 13.145 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.457 5.559 14.854 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.613 4.960 13.640 1.00 0.00 H new ATOM 393 N CYS A 10 43.022 0.910 16.370 1.00 0.00 N ATOM 394 CA CYS A 10 42.793 -0.517 16.509 1.00 0.00 C ATOM 395 C CYS A 10 41.315 -0.869 16.521 1.00 0.00 C ATOM 396 O CYS A 10 40.885 -1.781 15.820 1.00 0.00 O ATOM 397 CB CYS A 10 43.471 -1.030 17.770 1.00 0.00 C ATOM 398 SG CYS A 10 45.226 -0.624 17.854 1.00 0.00 S ATOM 0 H CYS A 10 42.701 1.475 17.156 1.00 0.00 H new ATOM 0 HA CYS A 10 43.228 -1.004 15.636 1.00 0.00 H new ATOM 0 HB2 CYS A 10 42.967 -0.612 18.641 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.353 -2.112 17.823 1.00 0.00 H new ATOM 0 HG CYS A 10 45.389 0.646 17.628 1.00 0.00 H new ATOM 404 N ARG A 11 40.537 -0.149 17.301 1.00 0.00 N ATOM 405 CA ARG A 11 39.123 -0.442 17.416 1.00 0.00 C ATOM 406 C ARG A 11 38.317 0.834 17.502 1.00 0.00 C ATOM 407 O ARG A 11 38.570 1.671 18.354 1.00 0.00 O ATOM 408 CB ARG A 11 38.874 -1.325 18.649 1.00 0.00 C ATOM 409 CG ARG A 11 39.465 -0.766 19.940 1.00 0.00 C ATOM 410 CD ARG A 11 39.403 -1.783 21.065 1.00 0.00 C ATOM 411 NE ARG A 11 39.993 -1.274 22.309 1.00 0.00 N ATOM 412 CZ ARG A 11 40.898 -1.930 23.044 1.00 0.00 C ATOM 413 NH1 ARG A 11 41.379 -3.101 22.634 1.00 0.00 N ATOM 414 NH2 ARG A 11 41.325 -1.409 24.189 1.00 0.00 N ATOM 0 H ARG A 11 40.857 0.640 17.863 1.00 0.00 H new ATOM 0 HA ARG A 11 38.802 -0.981 16.525 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.800 -1.455 18.779 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.295 -2.314 18.467 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.501 -0.472 19.770 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.922 0.133 20.231 1.00 0.00 H new ATOM 0 HD2 ARG A 11 38.364 -2.060 21.245 1.00 0.00 H new ATOM 0 HD3 ARG A 11 39.926 -2.690 20.762 1.00 0.00 H new ATOM 0 HE ARG A 11 39.692 -0.356 22.636 1.00 0.00 H new ATOM 0 HH11 ARG A 11 41.058 -3.504 21.754 1.00 0.00 H new ATOM 0 HH12 ARG A 11 42.069 -3.595 23.200 1.00 0.00 H new ATOM 0 HH21 ARG A 11 40.963 -0.510 24.507 1.00 0.00 H new ATOM 0 HH22 ARG A 11 42.015 -1.908 24.750 1.00 0.00 H new ATOM 428 N ILE A 12 37.337 0.968 16.629 1.00 0.00 N ATOM 429 CA ILE A 12 36.495 2.152 16.610 1.00 0.00 C ATOM 430 C ILE A 12 35.323 1.966 17.548 1.00 0.00 C ATOM 431 O ILE A 12 34.641 0.933 17.513 1.00 0.00 O ATOM 432 CB ILE A 12 35.971 2.464 15.187 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.139 2.611 14.204 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.110 3.732 15.192 1.00 0.00 C ATOM 435 CD1 ILE A 12 38.081 3.750 14.532 1.00 0.00 C ATOM 0 H ILE A 12 37.103 0.271 15.922 1.00 0.00 H new ATOM 0 HA ILE A 12 37.105 2.994 16.937 1.00 0.00 H new ATOM 0 HB ILE A 12 35.349 1.630 14.862 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.704 1.679 14.186 1.00 0.00 H new ATOM 0 HG13 ILE A 12 36.740 2.761 13.201 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.752 3.933 14.182 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.258 3.591 15.857 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.706 4.575 15.540 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.879 3.787 13.791 1.00 0.00 H new ATOM 0 HD12 ILE A 12 37.532 4.691 14.521 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.511 3.593 15.521 1.00 0.00 H new ATOM 447 N ARG A 13 35.088 2.947 18.381 1.00 0.00 N ATOM 448 CA ARG A 13 34.014 2.874 19.343 1.00 0.00 C ATOM 449 C ARG A 13 32.707 3.370 18.754 1.00 0.00 C ATOM 450 O ARG A 13 32.249 4.470 19.068 1.00 0.00 O ATOM 451 CB ARG A 13 34.371 3.631 20.624 1.00 0.00 C ATOM 452 CG ARG A 13 35.515 2.994 21.399 1.00 0.00 C ATOM 453 CD ARG A 13 35.183 1.557 21.762 1.00 0.00 C ATOM 454 NE ARG A 13 36.238 0.911 22.538 1.00 0.00 N ATOM 455 CZ ARG A 13 36.207 -0.369 22.921 1.00 0.00 C ATOM 456 NH1 ARG A 13 35.179 -1.142 22.599 1.00 0.00 N ATOM 457 NH2 ARG A 13 37.203 -0.868 23.619 1.00 0.00 N ATOM 0 H ARG A 13 35.628 3.811 18.414 1.00 0.00 H new ATOM 0 HA ARG A 13 33.875 1.825 19.605 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.640 4.656 20.369 1.00 0.00 H new ATOM 0 HB3 ARG A 13 33.491 3.682 21.265 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.426 3.022 20.801 1.00 0.00 H new ATOM 0 HG3 ARG A 13 35.711 3.567 22.305 1.00 0.00 H new ATOM 0 HD2 ARG A 13 34.254 1.536 22.332 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.009 0.987 20.849 1.00 0.00 H new ATOM 0 HE ARG A 13 37.048 1.471 22.804 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.405 -0.761 22.055 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.162 -2.118 22.895 1.00 0.00 H new ATOM 0 HH21 ARG A 13 37.997 -0.278 23.867 1.00 0.00 H new ATOM 0 HH22 ARG A 13 37.181 -1.845 23.912 1.00 0.00 H new ATOM 471 N ASP A 14 32.126 2.535 17.877 1.00 0.00 N ATOM 472 CA ASP A 14 30.840 2.814 17.210 1.00 0.00 C ATOM 473 C ASP A 14 30.964 3.924 16.172 1.00 0.00 C ATOM 474 O ASP A 14 31.839 4.784 16.273 1.00 0.00 O ATOM 475 CB ASP A 14 29.737 3.165 18.226 1.00 0.00 C ATOM 476 CG ASP A 14 29.372 2.011 19.136 1.00 0.00 C ATOM 477 OD1 ASP A 14 30.044 1.821 20.168 1.00 0.00 O ATOM 478 OD2 ASP A 14 28.394 1.302 18.841 1.00 0.00 O ATOM 0 H ASP A 14 32.537 1.641 17.608 1.00 0.00 H new ATOM 0 HA ASP A 14 30.557 1.897 16.694 1.00 0.00 H new ATOM 0 HB2 ASP A 14 30.067 4.008 18.834 1.00 0.00 H new ATOM 0 HB3 ASP A 14 28.847 3.490 17.688 1.00 0.00 H new ATOM 483 N ARG A 15 30.081 3.884 15.169 1.00 0.00 N ATOM 484 CA ARG A 15 30.038 4.894 14.109 1.00 0.00 C ATOM 485 C ARG A 15 31.293 4.837 13.232 1.00 0.00 C ATOM 486 O ARG A 15 32.220 5.636 13.394 1.00 0.00 O ATOM 487 CB ARG A 15 29.864 6.296 14.716 1.00 0.00 C ATOM 488 CG ARG A 15 29.702 7.415 13.706 1.00 0.00 C ATOM 489 CD ARG A 15 29.743 8.768 14.394 1.00 0.00 C ATOM 490 NE ARG A 15 31.047 9.026 15.018 1.00 0.00 N ATOM 491 CZ ARG A 15 31.226 9.628 16.200 1.00 0.00 C ATOM 492 NH1 ARG A 15 30.178 9.978 16.943 1.00 0.00 N ATOM 493 NH2 ARG A 15 32.456 9.861 16.648 1.00 0.00 N ATOM 0 H ARG A 15 29.378 3.152 15.070 1.00 0.00 H new ATOM 0 HA ARG A 15 29.180 4.678 13.472 1.00 0.00 H new ATOM 0 HB2 ARG A 15 28.991 6.287 15.369 1.00 0.00 H new ATOM 0 HB3 ARG A 15 30.729 6.514 15.342 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.495 7.356 12.960 1.00 0.00 H new ATOM 0 HG3 ARG A 15 28.757 7.299 13.176 1.00 0.00 H new ATOM 0 HD2 ARG A 15 29.527 9.551 13.667 1.00 0.00 H new ATOM 0 HD3 ARG A 15 28.962 8.813 15.153 1.00 0.00 H new ATOM 0 HE ARG A 15 31.880 8.723 14.512 1.00 0.00 H new ATOM 0 HH11 ARG A 15 29.232 9.788 16.612 1.00 0.00 H new ATOM 0 HH12 ARG A 15 30.321 10.436 17.843 1.00 0.00 H new ATOM 0 HH21 ARG A 15 33.263 9.581 16.091 1.00 0.00 H new ATOM 0 HH22 ARG A 15 32.592 10.320 17.549 1.00 0.00 H new ATOM 507 N VAL A 16 31.334 3.886 12.311 1.00 0.00 N ATOM 508 CA VAL A 16 32.487 3.765 11.436 1.00 0.00 C ATOM 509 C VAL A 16 32.202 4.337 10.044 1.00 0.00 C ATOM 510 O VAL A 16 31.383 3.813 9.288 1.00 0.00 O ATOM 511 CB VAL A 16 32.972 2.287 11.307 1.00 0.00 C ATOM 512 CG1 VAL A 16 33.597 1.814 12.606 1.00 0.00 C ATOM 513 CG2 VAL A 16 31.827 1.361 10.915 1.00 0.00 C ATOM 0 H VAL A 16 30.597 3.199 12.152 1.00 0.00 H new ATOM 0 HA VAL A 16 33.283 4.348 11.899 1.00 0.00 H new ATOM 0 HB VAL A 16 33.724 2.255 10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.929 0.782 12.495 1.00 0.00 H new ATOM 0 HG12 VAL A 16 34.451 2.445 12.850 1.00 0.00 H new ATOM 0 HG13 VAL A 16 32.861 1.875 13.407 1.00 0.00 H new ATOM 0 HG21 VAL A 16 32.197 0.339 10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 16 31.047 1.405 11.675 1.00 0.00 H new ATOM 0 HG23 VAL A 16 31.416 1.676 9.956 1.00 0.00 H new ATOM 523 N ALA A 17 32.867 5.430 9.724 1.00 0.00 N ATOM 524 CA ALA A 17 32.768 6.032 8.405 1.00 0.00 C ATOM 525 C ALA A 17 33.802 5.419 7.478 1.00 0.00 C ATOM 526 O ALA A 17 34.709 4.728 7.940 1.00 0.00 O ATOM 527 CB ALA A 17 32.947 7.538 8.487 1.00 0.00 C ATOM 0 H ALA A 17 33.488 5.924 10.365 1.00 0.00 H new ATOM 0 HA ALA A 17 31.775 5.833 8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 17 32.869 7.969 7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.173 7.962 9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 17 33.928 7.766 8.905 1.00 0.00 H new ATOM 533 N GLN A 18 33.686 5.684 6.184 1.00 0.00 N ATOM 534 CA GLN A 18 34.654 5.174 5.214 1.00 0.00 C ATOM 535 C GLN A 18 36.026 5.792 5.476 1.00 0.00 C ATOM 536 O GLN A 18 37.052 5.127 5.390 1.00 0.00 O ATOM 537 CB GLN A 18 34.212 5.488 3.788 1.00 0.00 C ATOM 538 CG GLN A 18 35.096 4.848 2.728 1.00 0.00 C ATOM 539 CD GLN A 18 34.796 5.344 1.332 1.00 0.00 C ATOM 540 OE1 GLN A 18 34.401 6.494 1.137 1.00 0.00 O ATOM 541 NE2 GLN A 18 34.979 4.483 0.351 1.00 0.00 N ATOM 0 H GLN A 18 32.937 6.246 5.780 1.00 0.00 H new ATOM 0 HA GLN A 18 34.714 4.092 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 18 33.186 5.147 3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 18 34.210 6.569 3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 18 36.141 5.051 2.963 1.00 0.00 H new ATOM 0 HG3 GLN A 18 34.966 3.766 2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 18 35.308 3.539 0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 18 34.792 4.760 -0.613 1.00 0.00 H new ATOM 550 N ASP A 19 36.020 7.070 5.813 1.00 0.00 N ATOM 551 CA ASP A 19 37.250 7.802 6.119 1.00 0.00 C ATOM 552 C ASP A 19 37.882 7.240 7.376 1.00 0.00 C ATOM 553 O ASP A 19 39.095 7.079 7.464 1.00 0.00 O ATOM 554 CB ASP A 19 36.936 9.284 6.322 1.00 0.00 C ATOM 555 CG ASP A 19 38.170 10.131 6.591 1.00 0.00 C ATOM 556 OD1 ASP A 19 38.956 10.368 5.645 1.00 0.00 O ATOM 557 OD2 ASP A 19 38.345 10.585 7.742 1.00 0.00 O ATOM 0 H ASP A 19 35.172 7.632 5.884 1.00 0.00 H new ATOM 0 HA ASP A 19 37.945 7.693 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 19 36.429 9.665 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 19 36.243 9.390 7.156 1.00 0.00 H new ATOM 562 N ILE A 20 37.031 6.922 8.334 1.00 0.00 N ATOM 563 CA ILE A 20 37.457 6.372 9.608 1.00 0.00 C ATOM 564 C ILE A 20 38.035 4.981 9.434 1.00 0.00 C ATOM 565 O ILE A 20 39.140 4.697 9.890 1.00 0.00 O ATOM 566 CB ILE A 20 36.270 6.286 10.590 1.00 0.00 C ATOM 567 CG1 ILE A 20 35.754 7.668 10.955 1.00 0.00 C ATOM 568 CG2 ILE A 20 36.653 5.518 11.839 1.00 0.00 C ATOM 569 CD1 ILE A 20 36.747 8.524 11.719 1.00 0.00 C ATOM 0 H ILE A 20 36.021 7.038 8.250 1.00 0.00 H new ATOM 0 HA ILE A 20 38.222 7.038 10.007 1.00 0.00 H new ATOM 0 HB ILE A 20 35.467 5.747 10.087 1.00 0.00 H new ATOM 0 HG12 ILE A 20 35.470 8.190 10.041 1.00 0.00 H new ATOM 0 HG13 ILE A 20 34.850 7.559 11.554 1.00 0.00 H new ATOM 0 HG21 ILE A 20 35.799 5.472 12.514 1.00 0.00 H new ATOM 0 HG22 ILE A 20 36.955 4.507 11.566 1.00 0.00 H new ATOM 0 HG23 ILE A 20 37.482 6.022 12.336 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.298 9.493 11.939 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.014 8.027 12.652 1.00 0.00 H new ATOM 0 HD13 ILE A 20 37.643 8.668 11.116 1.00 0.00 H new ATOM 581 N ILE A 21 37.287 4.119 8.759 1.00 0.00 N ATOM 582 CA ILE A 21 37.701 2.744 8.585 1.00 0.00 C ATOM 583 C ILE A 21 39.000 2.661 7.775 1.00 0.00 C ATOM 584 O ILE A 21 39.783 1.727 7.928 1.00 0.00 O ATOM 585 CB ILE A 21 36.595 1.883 7.913 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.964 0.401 7.972 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.372 2.313 6.472 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.916 -0.514 7.374 1.00 0.00 C ATOM 0 H ILE A 21 36.393 4.352 8.326 1.00 0.00 H new ATOM 0 HA ILE A 21 37.879 2.338 9.581 1.00 0.00 H new ATOM 0 HB ILE A 21 35.666 2.036 8.462 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.907 0.250 7.447 1.00 0.00 H new ATOM 0 HG13 ILE A 21 37.129 0.118 9.012 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.594 1.695 6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.064 3.358 6.448 1.00 0.00 H new ATOM 0 HG23 ILE A 21 37.298 2.194 5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 21 36.249 -1.549 7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.977 -0.393 7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.767 -0.260 6.325 1.00 0.00 H new ATOM 600 N GLN A 22 39.228 3.660 6.934 1.00 0.00 N ATOM 601 CA GLN A 22 40.430 3.735 6.121 1.00 0.00 C ATOM 602 C GLN A 22 41.665 3.896 7.009 1.00 0.00 C ATOM 603 O GLN A 22 42.775 3.521 6.632 1.00 0.00 O ATOM 604 CB GLN A 22 40.326 4.921 5.157 1.00 0.00 C ATOM 605 CG GLN A 22 41.493 5.043 4.189 1.00 0.00 C ATOM 606 CD GLN A 22 41.660 3.822 3.302 1.00 0.00 C ATOM 607 OE1 GLN A 22 40.689 3.135 2.978 1.00 0.00 O ATOM 608 NE2 GLN A 22 42.887 3.546 2.908 1.00 0.00 N ATOM 0 H GLN A 22 38.585 4.440 6.797 1.00 0.00 H new ATOM 0 HA GLN A 22 40.528 2.811 5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 22 39.402 4.830 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 22 40.252 5.841 5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 22 41.347 5.923 3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 22 42.411 5.203 4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 22 43.662 4.141 3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 22 43.061 2.737 2.312 1.00 0.00 H new ATOM 617 N LYS A 23 41.458 4.439 8.192 1.00 0.00 N ATOM 618 CA LYS A 23 42.541 4.694 9.124 1.00 0.00 C ATOM 619 C LYS A 23 42.683 3.542 10.123 1.00 0.00 C ATOM 620 O LYS A 23 43.623 3.508 10.916 1.00 0.00 O ATOM 621 CB LYS A 23 42.276 6.003 9.866 1.00 0.00 C ATOM 622 CG LYS A 23 41.840 7.164 8.964 1.00 0.00 C ATOM 623 CD LYS A 23 43.012 7.953 8.381 1.00 0.00 C ATOM 624 CE LYS A 23 43.766 7.172 7.318 1.00 0.00 C ATOM 625 NZ LYS A 23 44.819 7.996 6.679 1.00 0.00 N ATOM 0 H LYS A 23 40.538 4.716 8.535 1.00 0.00 H new ATOM 0 HA LYS A 23 43.473 4.774 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.504 5.832 10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 23 43.181 6.294 10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.234 6.772 8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 23 41.205 7.840 9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.641 8.883 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.698 8.225 9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.218 6.288 7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 23 43.067 6.822 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 44.553 8.196 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 44.922 8.891 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 45.722 7.480 6.696 1.00 0.00 H new ATOM 639 N LEU A 24 41.749 2.601 10.073 1.00 0.00 N ATOM 640 CA LEU A 24 41.760 1.459 10.977 1.00 0.00 C ATOM 641 C LEU A 24 42.957 0.561 10.664 1.00 0.00 C ATOM 642 O LEU A 24 43.120 0.102 9.533 1.00 0.00 O ATOM 643 CB LEU A 24 40.432 0.674 10.854 1.00 0.00 C ATOM 644 CG LEU A 24 40.072 -0.301 12.003 1.00 0.00 C ATOM 645 CD1 LEU A 24 40.978 -1.526 12.010 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.127 0.409 13.347 1.00 0.00 C ATOM 0 H LEU A 24 40.971 2.607 9.413 1.00 0.00 H new ATOM 0 HA LEU A 24 41.854 1.812 12.004 1.00 0.00 H new ATOM 0 HB2 LEU A 24 39.621 1.396 10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.462 0.104 9.925 1.00 0.00 H new ATOM 0 HG LEU A 24 39.053 -0.646 11.830 1.00 0.00 H new ATOM 0 HD11 LEU A 24 40.693 -2.185 12.830 1.00 0.00 H new ATOM 0 HD12 LEU A 24 40.876 -2.059 11.065 1.00 0.00 H new ATOM 0 HD13 LEU A 24 42.014 -1.212 12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.871 -0.293 14.140 1.00 0.00 H new ATOM 0 HD22 LEU A 24 41.133 0.794 13.514 1.00 0.00 H new ATOM 0 HD23 LEU A 24 39.417 1.236 13.351 1.00 0.00 H new ATOM 658 N GLY A 25 43.792 0.338 11.664 1.00 0.00 N ATOM 659 CA GLY A 25 44.968 -0.488 11.489 1.00 0.00 C ATOM 660 C GLY A 25 46.131 0.288 10.921 1.00 0.00 C ATOM 661 O GLY A 25 47.202 -0.269 10.690 1.00 0.00 O ATOM 0 H GLY A 25 43.675 0.718 12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.254 -0.917 12.449 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.730 -1.320 10.826 1.00 0.00 H new ATOM 665 N GLN A 26 45.929 1.569 10.698 1.00 0.00 N ATOM 666 CA GLN A 26 46.965 2.412 10.146 1.00 0.00 C ATOM 667 C GLN A 26 47.695 3.144 11.264 1.00 0.00 C ATOM 668 O GLN A 26 47.099 3.470 12.298 1.00 0.00 O ATOM 669 CB GLN A 26 46.358 3.411 9.165 1.00 0.00 C ATOM 670 CG GLN A 26 47.328 3.914 8.118 1.00 0.00 C ATOM 671 CD GLN A 26 46.692 4.916 7.185 1.00 0.00 C ATOM 672 OE1 GLN A 26 46.769 6.122 7.402 1.00 0.00 O ATOM 673 NE2 GLN A 26 46.027 4.423 6.161 1.00 0.00 N ATOM 0 H GLN A 26 45.051 2.051 10.892 1.00 0.00 H new ATOM 0 HA GLN A 26 47.682 1.789 9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.510 2.944 8.665 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.969 4.262 9.724 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.186 4.372 8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.705 3.071 7.540 1.00 0.00 H new ATOM 0 HE21 GLN A 26 45.988 3.414 6.016 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.551 5.050 5.512 1.00 0.00 H new ATOM 682 N VAL A 27 48.982 3.383 11.069 1.00 0.00 N ATOM 683 CA VAL A 27 49.782 4.080 12.059 1.00 0.00 C ATOM 684 C VAL A 27 49.883 5.559 11.762 1.00 0.00 C ATOM 685 O VAL A 27 49.915 5.979 10.599 1.00 0.00 O ATOM 686 CB VAL A 27 51.207 3.505 12.182 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.225 2.341 13.143 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.747 3.089 10.823 1.00 0.00 C ATOM 0 H VAL A 27 49.494 3.103 10.232 1.00 0.00 H new ATOM 0 HA VAL A 27 49.261 3.932 13.005 1.00 0.00 H new ATOM 0 HB VAL A 27 51.856 4.288 12.575 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.238 1.947 13.218 1.00 0.00 H new ATOM 0 HG12 VAL A 27 50.892 2.675 14.126 1.00 0.00 H new ATOM 0 HG13 VAL A 27 50.558 1.559 12.780 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.754 2.687 10.939 1.00 0.00 H new ATOM 0 HG22 VAL A 27 51.099 2.326 10.392 1.00 0.00 H new ATOM 0 HG23 VAL A 27 51.776 3.955 10.162 1.00 0.00 H new ATOM 698 N GLY A 28 49.931 6.334 12.815 1.00 0.00 N ATOM 699 CA GLY A 28 50.066 7.752 12.699 1.00 0.00 C ATOM 700 C GLY A 28 50.753 8.326 13.910 1.00 0.00 C ATOM 701 O GLY A 28 51.190 7.582 14.788 1.00 0.00 O ATOM 0 H GLY A 28 49.877 5.994 13.775 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.637 7.995 11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.082 8.207 12.584 1.00 0.00 H new ATOM 705 N GLN A 29 50.841 9.625 13.971 1.00 0.00 N ATOM 706 CA GLN A 29 51.503 10.291 15.079 1.00 0.00 C ATOM 707 C GLN A 29 50.581 11.316 15.734 1.00 0.00 C ATOM 708 O GLN A 29 49.837 12.021 15.049 1.00 0.00 O ATOM 709 CB GLN A 29 52.787 10.962 14.588 1.00 0.00 C ATOM 710 CG GLN A 29 53.579 11.662 15.675 1.00 0.00 C ATOM 711 CD GLN A 29 54.865 12.260 15.153 1.00 0.00 C ATOM 712 OE1 GLN A 29 55.467 11.745 14.214 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.285 13.353 15.745 1.00 0.00 N ATOM 0 H GLN A 29 50.462 10.256 13.265 1.00 0.00 H new ATOM 0 HA GLN A 29 51.756 9.543 15.830 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.421 10.209 14.120 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.532 11.688 13.816 1.00 0.00 H new ATOM 0 HG2 GLN A 29 52.968 12.449 16.117 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.807 10.952 16.470 1.00 0.00 H new ATOM 0 HE21 GLN A 29 54.755 13.748 16.522 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.142 13.808 15.428 1.00 0.00 H new ATOM 722 N ILE A 30 50.628 11.385 17.059 1.00 0.00 N ATOM 723 CA ILE A 30 49.813 12.327 17.811 1.00 0.00 C ATOM 724 C ILE A 30 50.377 13.731 17.672 1.00 0.00 C ATOM 725 O ILE A 30 51.526 13.987 18.046 1.00 0.00 O ATOM 726 CB ILE A 30 49.768 11.971 19.313 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.324 10.523 19.509 1.00 0.00 C ATOM 728 CG2 ILE A 30 48.833 12.923 20.056 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.334 10.078 20.953 1.00 0.00 C ATOM 0 H ILE A 30 51.227 10.795 17.637 1.00 0.00 H new ATOM 0 HA ILE A 30 48.803 12.275 17.403 1.00 0.00 H new ATOM 0 HB ILE A 30 50.772 12.079 19.724 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.318 10.403 19.107 1.00 0.00 H new ATOM 0 HG13 ILE A 30 49.978 9.870 18.932 1.00 0.00 H new ATOM 0 HG21 ILE A 30 48.811 12.660 21.114 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.191 13.946 19.944 1.00 0.00 H new ATOM 0 HG23 ILE A 30 47.828 12.843 19.642 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.007 9.040 21.016 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.344 10.166 21.354 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.658 10.707 21.532 1.00 0.00 H new ATOM 741 N THR A 31 49.579 14.631 17.142 1.00 0.00 N ATOM 742 CA THR A 31 50.006 16.000 16.957 1.00 0.00 C ATOM 743 C THR A 31 49.193 16.971 17.810 1.00 0.00 C ATOM 744 O THR A 31 49.407 18.182 17.763 1.00 0.00 O ATOM 745 CB THR A 31 49.911 16.402 15.489 1.00 0.00 C ATOM 746 OG1 THR A 31 48.633 16.014 14.964 1.00 0.00 O ATOM 747 CG2 THR A 31 51.021 15.748 14.676 1.00 0.00 C ATOM 0 H THR A 31 48.627 14.438 16.830 1.00 0.00 H new ATOM 0 HA THR A 31 51.046 16.055 17.279 1.00 0.00 H new ATOM 0 HB THR A 31 50.023 17.484 15.418 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.759 15.527 14.123 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.933 16.049 13.632 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.990 16.062 15.064 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.935 14.664 14.749 1.00 0.00 H new ATOM 755 N GLY A 32 48.263 16.445 18.590 1.00 0.00 N ATOM 756 CA GLY A 32 47.465 17.297 19.442 1.00 0.00 C ATOM 757 C GLY A 32 46.318 16.561 20.086 1.00 0.00 C ATOM 758 O GLY A 32 46.019 15.422 19.717 1.00 0.00 O ATOM 0 H GLY A 32 48.048 15.450 18.648 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.099 17.725 20.218 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.075 18.129 18.855 1.00 0.00 H new ATOM 762 N PHE A 33 45.686 17.200 21.050 1.00 0.00 N ATOM 763 CA PHE A 33 44.550 16.621 21.739 1.00 0.00 C ATOM 764 C PHE A 33 43.366 17.570 21.708 1.00 0.00 C ATOM 765 O PHE A 33 43.529 18.792 21.782 1.00 0.00 O ATOM 766 CB PHE A 33 44.903 16.285 23.190 1.00 0.00 C ATOM 767 CG PHE A 33 45.896 15.169 23.337 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.508 13.854 23.153 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.216 15.434 23.663 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.414 12.824 23.291 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.125 14.408 23.804 1.00 0.00 C ATOM 772 CZ PHE A 33 47.722 13.101 23.616 1.00 0.00 C ATOM 0 H PHE A 33 45.944 18.131 21.377 1.00 0.00 H new ATOM 0 HA PHE A 33 44.282 15.700 21.222 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.302 17.178 23.672 1.00 0.00 H new ATOM 0 HB3 PHE A 33 43.990 16.017 23.722 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.482 13.631 22.898 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.536 16.455 23.808 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.098 11.802 23.144 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.151 14.626 24.061 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.434 12.296 23.724 1.00 0.00 H new ATOM 782 N LYS A 34 42.186 17.010 21.587 1.00 0.00 N ATOM 783 CA LYS A 34 40.956 17.783 21.570 1.00 0.00 C ATOM 784 C LYS A 34 40.033 17.322 22.667 1.00 0.00 C ATOM 785 O LYS A 34 40.089 16.173 23.086 1.00 0.00 O ATOM 786 CB LYS A 34 40.238 17.640 20.231 1.00 0.00 C ATOM 787 CG LYS A 34 40.789 18.517 19.132 1.00 0.00 C ATOM 788 CD LYS A 34 39.991 18.364 17.841 1.00 0.00 C ATOM 789 CE LYS A 34 38.506 18.636 18.064 1.00 0.00 C ATOM 790 NZ LYS A 34 37.764 18.765 16.788 1.00 0.00 N ATOM 0 H LYS A 34 42.046 16.004 21.497 1.00 0.00 H new ATOM 0 HA LYS A 34 41.222 18.829 21.724 1.00 0.00 H new ATOM 0 HB2 LYS A 34 40.294 16.599 19.912 1.00 0.00 H new ATOM 0 HB3 LYS A 34 39.183 17.874 20.371 1.00 0.00 H new ATOM 0 HG2 LYS A 34 40.769 19.559 19.452 1.00 0.00 H new ATOM 0 HG3 LYS A 34 41.832 18.260 18.949 1.00 0.00 H new ATOM 0 HD2 LYS A 34 40.379 19.051 17.089 1.00 0.00 H new ATOM 0 HD3 LYS A 34 40.122 17.356 17.449 1.00 0.00 H new ATOM 0 HE2 LYS A 34 38.074 17.827 18.653 1.00 0.00 H new ATOM 0 HE3 LYS A 34 38.389 19.551 18.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.760 18.949 16.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 38.158 19.553 16.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 37.853 17.883 16.244 1.00 0.00 H new ATOM 804 N MET A 35 39.190 18.207 23.138 1.00 0.00 N ATOM 805 CA MET A 35 38.209 17.824 24.124 1.00 0.00 C ATOM 806 C MET A 35 36.980 17.280 23.413 1.00 0.00 C ATOM 807 O MET A 35 36.396 17.943 22.552 1.00 0.00 O ATOM 808 CB MET A 35 37.842 18.991 25.060 1.00 0.00 C ATOM 809 CG MET A 35 37.282 20.223 24.364 1.00 0.00 C ATOM 810 SD MET A 35 36.686 21.459 25.535 1.00 0.00 S ATOM 811 CE MET A 35 36.070 22.713 24.418 1.00 0.00 C ATOM 0 H MET A 35 39.162 19.188 22.859 1.00 0.00 H new ATOM 0 HA MET A 35 38.637 17.048 24.758 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.109 18.638 25.786 1.00 0.00 H new ATOM 0 HB3 MET A 35 38.731 19.281 25.620 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.055 20.665 23.735 1.00 0.00 H new ATOM 0 HG3 MET A 35 36.466 19.926 23.706 1.00 0.00 H new ATOM 0 HE1 MET A 35 35.667 23.547 24.993 1.00 0.00 H new ATOM 0 HE2 MET A 35 36.884 23.068 23.786 1.00 0.00 H new ATOM 0 HE3 MET A 35 35.283 22.289 23.793 1.00 0.00 H new ATOM 821 N THR A 36 36.622 16.065 23.732 1.00 0.00 N ATOM 822 CA THR A 36 35.498 15.421 23.109 1.00 0.00 C ATOM 823 C THR A 36 34.441 15.090 24.153 1.00 0.00 C ATOM 824 O THR A 36 34.627 14.194 24.976 1.00 0.00 O ATOM 825 CB THR A 36 35.945 14.140 22.381 1.00 0.00 C ATOM 826 OG1 THR A 36 37.019 14.457 21.485 1.00 0.00 O ATOM 827 CG2 THR A 36 34.793 13.529 21.595 1.00 0.00 C ATOM 0 H THR A 36 37.100 15.495 24.430 1.00 0.00 H new ATOM 0 HA THR A 36 35.069 16.104 22.375 1.00 0.00 H new ATOM 0 HB THR A 36 36.277 13.415 23.124 1.00 0.00 H new ATOM 0 HG1 THR A 36 37.308 13.644 21.020 1.00 0.00 H new ATOM 0 HG21 THR A 36 35.136 12.626 21.090 1.00 0.00 H new ATOM 0 HG22 THR A 36 33.980 13.278 22.277 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.437 14.245 20.855 1.00 0.00 H new ATOM 835 N ASP A 37 33.335 15.814 24.109 1.00 0.00 N ATOM 836 CA ASP A 37 32.251 15.648 25.078 1.00 0.00 C ATOM 837 C ASP A 37 31.649 14.245 25.007 1.00 0.00 C ATOM 838 O ASP A 37 31.123 13.733 25.998 1.00 0.00 O ATOM 839 CB ASP A 37 31.166 16.699 24.838 1.00 0.00 C ATOM 840 CG ASP A 37 30.112 16.705 25.924 1.00 0.00 C ATOM 841 OD1 ASP A 37 30.352 17.326 26.981 1.00 0.00 O ATOM 842 OD2 ASP A 37 29.042 16.096 25.726 1.00 0.00 O ATOM 0 H ASP A 37 33.158 16.532 23.406 1.00 0.00 H new ATOM 0 HA ASP A 37 32.669 15.783 26.076 1.00 0.00 H new ATOM 0 HB2 ASP A 37 31.627 17.685 24.779 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.690 16.511 23.876 1.00 0.00 H new ATOM 847 N GLY A 38 31.741 13.629 23.837 1.00 0.00 N ATOM 848 CA GLY A 38 31.206 12.291 23.643 1.00 0.00 C ATOM 849 C GLY A 38 31.928 11.228 24.459 1.00 0.00 C ATOM 850 O GLY A 38 31.397 10.139 24.680 1.00 0.00 O ATOM 0 H GLY A 38 32.180 14.034 23.010 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.149 12.288 23.910 1.00 0.00 H new ATOM 0 HA3 GLY A 38 31.269 12.032 22.586 1.00 0.00 H new ATOM 854 N SER A 39 33.139 11.527 24.903 1.00 0.00 N ATOM 855 CA SER A 39 33.908 10.580 25.700 1.00 0.00 C ATOM 856 C SER A 39 34.831 11.307 26.669 1.00 0.00 C ATOM 857 O SER A 39 34.541 11.398 27.861 1.00 0.00 O ATOM 858 CB SER A 39 34.711 9.635 24.796 1.00 0.00 C ATOM 859 OG SER A 39 33.851 8.918 23.923 1.00 0.00 O ATOM 0 H SER A 39 33.610 12.414 24.727 1.00 0.00 H new ATOM 0 HA SER A 39 33.206 9.983 26.283 1.00 0.00 H new ATOM 0 HB2 SER A 39 35.432 10.208 24.213 1.00 0.00 H new ATOM 0 HB3 SER A 39 35.280 8.935 25.408 1.00 0.00 H new ATOM 0 HG SER A 39 34.153 9.035 22.998 1.00 0.00 H new ATOM 865 N GLY A 40 35.926 11.837 26.154 1.00 0.00 N ATOM 866 CA GLY A 40 36.858 12.549 26.989 1.00 0.00 C ATOM 867 C GLY A 40 37.851 13.334 26.174 1.00 0.00 C ATOM 868 O GLY A 40 37.597 14.485 25.809 1.00 0.00 O ATOM 0 H GLY A 40 36.185 11.785 25.169 1.00 0.00 H new ATOM 0 HA2 GLY A 40 36.313 13.225 27.648 1.00 0.00 H new ATOM 0 HA3 GLY A 40 37.389 11.842 27.626 1.00 0.00 H new ATOM 872 N VAL A 41 38.974 12.722 25.870 1.00 0.00 N ATOM 873 CA VAL A 41 40.005 13.384 25.104 1.00 0.00 C ATOM 874 C VAL A 41 40.174 12.732 23.738 1.00 0.00 C ATOM 875 O VAL A 41 40.354 11.518 23.631 1.00 0.00 O ATOM 876 CB VAL A 41 41.358 13.383 25.857 1.00 0.00 C ATOM 877 CG1 VAL A 41 42.437 14.071 25.035 1.00 0.00 C ATOM 878 CG2 VAL A 41 41.210 14.059 27.212 1.00 0.00 C ATOM 0 H VAL A 41 39.196 11.765 26.143 1.00 0.00 H new ATOM 0 HA VAL A 41 39.689 14.418 24.965 1.00 0.00 H new ATOM 0 HB VAL A 41 41.660 12.348 26.014 1.00 0.00 H new ATOM 0 HG11 VAL A 41 43.378 14.057 25.585 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.563 13.546 24.088 1.00 0.00 H new ATOM 0 HG13 VAL A 41 42.145 15.103 24.842 1.00 0.00 H new ATOM 0 HG21 VAL A 41 42.169 14.051 27.730 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.883 15.089 27.071 1.00 0.00 H new ATOM 0 HG23 VAL A 41 40.472 13.522 27.808 1.00 0.00 H new ATOM 888 N GLY A 42 40.094 13.544 22.703 1.00 0.00 N ATOM 889 CA GLY A 42 40.280 13.065 21.362 1.00 0.00 C ATOM 890 C GLY A 42 41.725 13.176 20.947 1.00 0.00 C ATOM 891 O GLY A 42 42.341 14.238 21.092 1.00 0.00 O ATOM 0 H GLY A 42 39.900 14.543 22.773 1.00 0.00 H new ATOM 0 HA2 GLY A 42 39.957 12.026 21.294 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.656 13.638 20.677 1.00 0.00 H new ATOM 895 N VAL A 43 42.264 12.101 20.439 1.00 0.00 N ATOM 896 CA VAL A 43 43.652 12.051 20.043 1.00 0.00 C ATOM 897 C VAL A 43 43.792 12.356 18.558 1.00 0.00 C ATOM 898 O VAL A 43 43.347 11.577 17.716 1.00 0.00 O ATOM 899 CB VAL A 43 44.253 10.652 20.334 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.746 10.634 20.069 1.00 0.00 C ATOM 901 CG2 VAL A 43 43.954 10.221 21.765 1.00 0.00 C ATOM 0 H VAL A 43 41.754 11.231 20.286 1.00 0.00 H new ATOM 0 HA VAL A 43 44.193 12.801 20.620 1.00 0.00 H new ATOM 0 HB VAL A 43 43.783 9.939 19.657 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.141 9.641 20.281 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.933 10.883 19.025 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.238 11.365 20.710 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.385 9.237 21.946 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.387 10.940 22.460 1.00 0.00 H new ATOM 0 HG23 VAL A 43 42.875 10.177 21.914 1.00 0.00 H new ATOM 911 N ILE A 44 44.392 13.495 18.239 1.00 0.00 N ATOM 912 CA ILE A 44 44.594 13.879 16.850 1.00 0.00 C ATOM 913 C ILE A 44 45.781 13.141 16.265 1.00 0.00 C ATOM 914 O ILE A 44 46.938 13.393 16.634 1.00 0.00 O ATOM 915 CB ILE A 44 44.800 15.402 16.686 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.556 16.160 17.152 1.00 0.00 C ATOM 917 CG2 ILE A 44 45.120 15.747 15.229 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.672 17.657 17.008 1.00 0.00 C ATOM 0 H ILE A 44 44.746 14.166 18.921 1.00 0.00 H new ATOM 0 HA ILE A 44 43.687 13.606 16.311 1.00 0.00 H new ATOM 0 HB ILE A 44 45.644 15.705 17.305 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.695 15.814 16.581 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.363 15.918 18.197 1.00 0.00 H new ATOM 0 HG21 ILE A 44 45.262 16.823 15.133 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.031 15.232 14.925 1.00 0.00 H new ATOM 0 HG23 ILE A 44 44.295 15.431 14.591 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.754 18.128 17.358 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.513 18.016 17.602 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.834 17.910 15.960 1.00 0.00 H new ATOM 930 N VAL A 45 45.493 12.227 15.370 1.00 0.00 N ATOM 931 CA VAL A 45 46.511 11.429 14.746 1.00 0.00 C ATOM 932 C VAL A 45 46.769 11.904 13.326 1.00 0.00 C ATOM 933 O VAL A 45 45.889 11.833 12.464 1.00 0.00 O ATOM 934 CB VAL A 45 46.102 9.943 14.704 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.260 9.078 14.235 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.591 9.483 16.061 1.00 0.00 C ATOM 0 H VAL A 45 44.545 12.018 15.056 1.00 0.00 H new ATOM 0 HA VAL A 45 47.418 11.537 15.341 1.00 0.00 H new ATOM 0 HB VAL A 45 45.289 9.835 13.986 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.949 8.034 14.213 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.563 9.387 13.235 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.100 9.192 14.920 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.309 8.432 16.006 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.375 9.610 16.807 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.722 10.078 16.343 1.00 0.00 H new ATOM 946 N THR A 46 47.956 12.408 13.088 1.00 0.00 N ATOM 947 CA THR A 46 48.345 12.813 11.766 1.00 0.00 C ATOM 948 C THR A 46 49.043 11.651 11.071 1.00 0.00 C ATOM 949 O THR A 46 50.100 11.189 11.515 1.00 0.00 O ATOM 950 CB THR A 46 49.264 14.055 11.800 1.00 0.00 C ATOM 951 OG1 THR A 46 48.572 15.143 12.434 1.00 0.00 O ATOM 952 CG2 THR A 46 49.667 14.472 10.389 1.00 0.00 C ATOM 0 H THR A 46 48.672 12.547 13.801 1.00 0.00 H new ATOM 0 HA THR A 46 47.449 13.089 11.209 1.00 0.00 H new ATOM 0 HB THR A 46 50.164 13.803 12.361 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.085 15.970 12.317 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.314 15.348 10.439 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.202 13.654 9.906 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.774 14.712 9.812 1.00 0.00 H new ATOM 960 N PHE A 47 48.432 11.161 10.012 1.00 0.00 N ATOM 961 CA PHE A 47 48.958 10.017 9.288 1.00 0.00 C ATOM 962 C PHE A 47 49.908 10.458 8.188 1.00 0.00 C ATOM 963 O PHE A 47 50.068 11.657 7.934 1.00 0.00 O ATOM 964 CB PHE A 47 47.812 9.192 8.696 1.00 0.00 C ATOM 965 CG PHE A 47 46.878 8.630 9.733 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.795 9.366 10.180 1.00 0.00 C ATOM 967 CD2 PHE A 47 47.086 7.368 10.259 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.939 8.855 11.130 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.233 6.848 11.210 1.00 0.00 C ATOM 970 CZ PHE A 47 45.158 7.592 11.648 1.00 0.00 C ATOM 0 H PHE A 47 47.565 11.539 9.630 1.00 0.00 H new ATOM 0 HA PHE A 47 49.515 9.398 9.991 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.243 9.817 8.007 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.229 8.372 8.112 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.619 10.353 9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.928 6.782 9.921 1.00 0.00 H new ATOM 0 HE1 PHE A 47 44.097 9.440 11.470 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.407 5.860 11.611 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.489 7.189 12.394 1.00 0.00 H new ATOM 980 N ASP A 48 50.517 9.489 7.518 1.00 0.00 N ATOM 981 CA ASP A 48 51.471 9.770 6.449 1.00 0.00 C ATOM 982 C ASP A 48 50.745 10.210 5.175 1.00 0.00 C ATOM 983 O ASP A 48 51.362 10.521 4.159 1.00 0.00 O ATOM 984 CB ASP A 48 52.346 8.550 6.192 1.00 0.00 C ATOM 985 CG ASP A 48 53.577 8.867 5.365 1.00 0.00 C ATOM 986 OD1 ASP A 48 54.282 9.851 5.688 1.00 0.00 O ATOM 987 OD2 ASP A 48 53.876 8.113 4.416 1.00 0.00 O ATOM 0 H ASP A 48 50.367 8.496 7.696 1.00 0.00 H new ATOM 0 HA ASP A 48 52.115 10.592 6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.656 8.125 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 48 51.757 7.789 5.680 1.00 0.00 H new ATOM 992 N ASP A 49 49.416 10.236 5.251 1.00 0.00 N ATOM 993 CA ASP A 49 48.575 10.720 4.154 1.00 0.00 C ATOM 994 C ASP A 49 48.445 12.230 4.245 1.00 0.00 C ATOM 995 O ASP A 49 47.738 12.853 3.455 1.00 0.00 O ATOM 996 CB ASP A 49 47.174 10.096 4.220 1.00 0.00 C ATOM 997 CG ASP A 49 47.159 8.612 3.934 1.00 0.00 C ATOM 998 OD1 ASP A 49 47.337 8.224 2.759 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.941 7.824 4.877 1.00 0.00 O ATOM 0 H ASP A 49 48.892 9.924 6.069 1.00 0.00 H new ATOM 0 HA ASP A 49 49.044 10.435 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.754 10.271 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 49 46.526 10.602 3.505 1.00 0.00 H new ATOM 1004 N ARG A 50 49.125 12.803 5.254 1.00 0.00 N ATOM 1005 CA ARG A 50 49.124 14.249 5.545 1.00 0.00 C ATOM 1006 C ARG A 50 47.813 14.675 6.204 1.00 0.00 C ATOM 1007 O ARG A 50 47.692 15.789 6.705 1.00 0.00 O ATOM 1008 CB ARG A 50 49.404 15.101 4.292 1.00 0.00 C ATOM 1009 CG ARG A 50 50.600 14.635 3.467 1.00 0.00 C ATOM 1010 CD ARG A 50 51.864 14.525 4.304 1.00 0.00 C ATOM 1011 NE ARG A 50 52.962 13.931 3.543 1.00 0.00 N ATOM 1012 CZ ARG A 50 53.759 12.950 3.992 1.00 0.00 C ATOM 1013 NH1 ARG A 50 53.631 12.493 5.235 1.00 0.00 N ATOM 1014 NH2 ARG A 50 54.691 12.440 3.199 1.00 0.00 N ATOM 0 H ARG A 50 49.701 12.265 5.902 1.00 0.00 H new ATOM 0 HA ARG A 50 49.940 14.429 6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.517 15.096 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.570 16.133 4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 50 50.376 13.666 3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 50 50.768 15.333 2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 50 52.157 15.515 4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 50 51.664 13.920 5.188 1.00 0.00 H new ATOM 0 HE ARG A 50 53.134 14.288 2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.923 12.889 5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 50 54.241 11.747 5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 50 54.801 12.794 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 50 55.298 11.694 3.539 1.00 0.00 H new ATOM 1028 N SER A 51 46.844 13.779 6.207 1.00 0.00 N ATOM 1029 CA SER A 51 45.561 14.037 6.819 1.00 0.00 C ATOM 1030 C SER A 51 45.609 13.696 8.308 1.00 0.00 C ATOM 1031 O SER A 51 46.247 12.714 8.715 1.00 0.00 O ATOM 1032 CB SER A 51 44.480 13.210 6.125 1.00 0.00 C ATOM 1033 OG SER A 51 44.510 13.412 4.719 1.00 0.00 O ATOM 0 H SER A 51 46.927 12.854 5.785 1.00 0.00 H new ATOM 0 HA SER A 51 45.323 15.095 6.711 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.626 12.153 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.500 13.485 6.515 1.00 0.00 H new ATOM 0 HG SER A 51 43.811 12.871 4.296 1.00 0.00 H new ATOM 1039 N SER A 52 44.956 14.510 9.110 1.00 0.00 N ATOM 1040 CA SER A 52 44.905 14.296 10.538 1.00 0.00 C ATOM 1041 C SER A 52 43.493 13.927 10.970 1.00 0.00 C ATOM 1042 O SER A 52 42.528 14.619 10.632 1.00 0.00 O ATOM 1043 CB SER A 52 45.381 15.551 11.273 1.00 0.00 C ATOM 1044 OG SER A 52 44.724 16.713 10.777 1.00 0.00 O ATOM 0 H SER A 52 44.448 15.335 8.791 1.00 0.00 H new ATOM 0 HA SER A 52 45.567 13.469 10.793 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.187 15.447 12.341 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.459 15.660 11.154 1.00 0.00 H new ATOM 0 HG SER A 52 43.781 16.508 10.607 1.00 0.00 H new ATOM 1050 N THR A 53 43.372 12.846 11.700 1.00 0.00 N ATOM 1051 CA THR A 53 42.083 12.386 12.165 1.00 0.00 C ATOM 1052 C THR A 53 42.139 12.135 13.667 1.00 0.00 C ATOM 1053 O THR A 53 43.120 11.598 14.171 1.00 0.00 O ATOM 1054 CB THR A 53 41.676 11.084 11.443 1.00 0.00 C ATOM 1055 OG1 THR A 53 42.016 11.176 10.051 1.00 0.00 O ATOM 1056 CG2 THR A 53 40.179 10.838 11.577 1.00 0.00 C ATOM 0 H THR A 53 44.157 12.262 11.988 1.00 0.00 H new ATOM 0 HA THR A 53 41.342 13.155 11.946 1.00 0.00 H new ATOM 0 HB THR A 53 42.213 10.254 11.903 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.758 10.347 9.596 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.914 9.915 11.061 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.917 10.752 12.632 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.632 11.671 11.135 1.00 0.00 H new ATOM 1064 N TRP A 54 41.105 12.541 14.379 1.00 0.00 N ATOM 1065 CA TRP A 54 41.066 12.341 15.815 1.00 0.00 C ATOM 1066 C TRP A 54 40.315 11.065 16.158 1.00 0.00 C ATOM 1067 O TRP A 54 39.323 10.725 15.511 1.00 0.00 O ATOM 1068 CB TRP A 54 40.447 13.556 16.536 1.00 0.00 C ATOM 1069 CG TRP A 54 39.017 13.829 16.172 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.569 14.562 15.116 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.848 13.378 16.871 1.00 0.00 C ATOM 1072 NE1 TRP A 54 37.197 14.593 15.110 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.730 13.872 16.178 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.643 12.599 18.016 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.425 13.615 16.588 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 36.347 12.345 18.423 1.00 0.00 C ATOM 1077 CH2 TRP A 54 35.253 12.852 17.710 1.00 0.00 C ATOM 0 H TRP A 54 40.286 13.008 13.990 1.00 0.00 H new ATOM 0 HA TRP A 54 42.093 12.239 16.166 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.511 13.396 17.612 1.00 0.00 H new ATOM 0 HB3 TRP A 54 41.042 14.440 16.309 1.00 0.00 H new ATOM 0 HD1 TRP A 54 39.202 15.049 14.388 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.618 15.075 14.422 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.481 12.204 18.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.579 14.004 16.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 36.175 11.746 19.305 1.00 0.00 H new ATOM 0 HH2 TRP A 54 34.252 12.636 18.054 1.00 0.00 H new ATOM 1088 N PHE A 55 40.812 10.360 17.153 1.00 0.00 N ATOM 1089 CA PHE A 55 40.206 9.122 17.612 1.00 0.00 C ATOM 1090 C PHE A 55 40.152 9.118 19.127 1.00 0.00 C ATOM 1091 O PHE A 55 40.770 9.967 19.773 1.00 0.00 O ATOM 1092 CB PHE A 55 41.011 7.916 17.118 1.00 0.00 C ATOM 1093 CG PHE A 55 41.075 7.800 15.622 1.00 0.00 C ATOM 1094 CD1 PHE A 55 40.062 7.171 14.920 1.00 0.00 C ATOM 1095 CD2 PHE A 55 42.145 8.327 14.921 1.00 0.00 C ATOM 1096 CE1 PHE A 55 40.118 7.069 13.545 1.00 0.00 C ATOM 1097 CE2 PHE A 55 42.204 8.229 13.549 1.00 0.00 C ATOM 1098 CZ PHE A 55 41.189 7.599 12.860 1.00 0.00 C ATOM 0 H PHE A 55 41.650 10.628 17.669 1.00 0.00 H new ATOM 0 HA PHE A 55 39.195 9.053 17.210 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.025 7.983 17.511 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.570 7.006 17.525 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.220 6.756 15.453 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.943 8.821 15.456 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.323 6.574 13.007 1.00 0.00 H new ATOM 0 HE2 PHE A 55 43.044 8.645 13.013 1.00 0.00 H new ATOM 0 HZ PHE A 55 41.234 7.521 11.784 1.00 0.00 H new ATOM 1108 N PHE A 56 39.418 8.187 19.699 1.00 0.00 N ATOM 1109 CA PHE A 56 39.322 8.108 21.148 1.00 0.00 C ATOM 1110 C PHE A 56 40.592 7.505 21.753 1.00 0.00 C ATOM 1111 O PHE A 56 41.409 6.907 21.051 1.00 0.00 O ATOM 1112 CB PHE A 56 38.088 7.313 21.589 1.00 0.00 C ATOM 1113 CG PHE A 56 36.793 7.841 21.030 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.319 9.087 21.407 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.057 7.094 20.128 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.132 9.575 20.892 1.00 0.00 C ATOM 1117 CE2 PHE A 56 34.870 7.578 19.609 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.408 8.820 19.993 1.00 0.00 C ATOM 0 H PHE A 56 38.884 7.480 19.193 1.00 0.00 H new ATOM 0 HA PHE A 56 39.214 9.127 21.520 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.208 6.274 21.283 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.033 7.320 22.678 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.882 9.683 22.110 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.414 6.121 19.825 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.772 10.547 21.194 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.306 6.985 18.904 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.481 9.200 19.590 1.00 0.00 H new ATOM 1128 N GLU A 57 40.738 7.658 23.060 1.00 0.00 N ATOM 1129 CA GLU A 57 41.919 7.182 23.789 1.00 0.00 C ATOM 1130 C GLU A 57 42.093 5.673 23.651 1.00 0.00 C ATOM 1131 O GLU A 57 43.186 5.183 23.381 1.00 0.00 O ATOM 1132 CB GLU A 57 41.776 7.527 25.262 1.00 0.00 C ATOM 1133 CG GLU A 57 41.288 8.936 25.513 1.00 0.00 C ATOM 1134 CD GLU A 57 40.857 9.156 26.948 1.00 0.00 C ATOM 1135 OE1 GLU A 57 41.442 8.527 27.856 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.923 9.951 27.176 1.00 0.00 O ATOM 0 H GLU A 57 40.044 8.115 23.652 1.00 0.00 H new ATOM 0 HA GLU A 57 42.795 7.671 23.363 1.00 0.00 H new ATOM 0 HB2 GLU A 57 41.083 6.824 25.725 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.740 7.393 25.752 1.00 0.00 H new ATOM 0 HG2 GLU A 57 42.081 9.641 25.264 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.451 9.150 24.849 1.00 0.00 H new ATOM 1143 N ASP A 58 41.007 4.951 23.840 1.00 0.00 N ATOM 1144 CA ASP A 58 41.028 3.489 23.786 1.00 0.00 C ATOM 1145 C ASP A 58 40.971 2.991 22.341 1.00 0.00 C ATOM 1146 O ASP A 58 41.240 1.823 22.048 1.00 0.00 O ATOM 1147 CB ASP A 58 39.840 2.940 24.579 1.00 0.00 C ATOM 1148 CG ASP A 58 39.759 1.432 24.569 1.00 0.00 C ATOM 1149 OD1 ASP A 58 40.361 0.791 25.454 1.00 0.00 O ATOM 1150 OD2 ASP A 58 39.086 0.877 23.687 1.00 0.00 O ATOM 0 H ASP A 58 40.088 5.349 24.034 1.00 0.00 H new ATOM 0 HA ASP A 58 41.961 3.134 24.225 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.910 3.286 25.610 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.917 3.349 24.167 1.00 0.00 H new ATOM 1155 N GLU A 59 40.669 3.900 21.452 1.00 0.00 N ATOM 1156 CA GLU A 59 40.481 3.597 20.047 1.00 0.00 C ATOM 1157 C GLU A 59 41.828 3.383 19.349 1.00 0.00 C ATOM 1158 O GLU A 59 41.918 2.701 18.315 1.00 0.00 O ATOM 1159 CB GLU A 59 39.711 4.759 19.436 1.00 0.00 C ATOM 1160 CG GLU A 59 39.216 4.565 18.035 1.00 0.00 C ATOM 1161 CD GLU A 59 38.008 5.429 17.781 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.173 6.653 17.641 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.884 4.886 17.780 1.00 0.00 O ATOM 0 H GLU A 59 40.544 4.886 21.680 1.00 0.00 H new ATOM 0 HA GLU A 59 39.921 2.670 19.922 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.854 4.975 20.074 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.352 5.641 19.453 1.00 0.00 H new ATOM 0 HG2 GLU A 59 40.005 4.814 17.326 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.962 3.517 17.874 1.00 0.00 H new ATOM 1170 N VAL A 60 42.875 3.932 19.937 1.00 0.00 N ATOM 1171 CA VAL A 60 44.215 3.807 19.397 1.00 0.00 C ATOM 1172 C VAL A 60 45.170 3.271 20.459 1.00 0.00 C ATOM 1173 O VAL A 60 44.862 3.307 21.651 1.00 0.00 O ATOM 1174 CB VAL A 60 44.751 5.172 18.882 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.889 5.704 17.748 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.830 6.189 20.015 1.00 0.00 C ATOM 0 H VAL A 60 42.820 4.475 20.799 1.00 0.00 H new ATOM 0 HA VAL A 60 44.162 3.111 18.560 1.00 0.00 H new ATOM 0 HB VAL A 60 45.758 5.010 18.497 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.286 6.660 17.407 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.895 4.993 16.922 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.867 5.841 18.101 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.208 7.136 19.629 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.837 6.340 20.438 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.502 5.819 20.790 1.00 0.00 H new ATOM 1186 N GLU A 61 46.306 2.752 20.030 1.00 0.00 N ATOM 1187 CA GLU A 61 47.329 2.293 20.959 1.00 0.00 C ATOM 1188 C GLU A 61 48.635 3.013 20.679 1.00 0.00 C ATOM 1189 O GLU A 61 48.897 3.402 19.540 1.00 0.00 O ATOM 1190 CB GLU A 61 47.530 0.778 20.887 1.00 0.00 C ATOM 1191 CG GLU A 61 48.016 0.266 19.543 1.00 0.00 C ATOM 1192 CD GLU A 61 48.421 -1.187 19.604 1.00 0.00 C ATOM 1193 OE1 GLU A 61 47.576 -2.032 19.963 1.00 0.00 O ATOM 1194 OE2 GLU A 61 49.586 -1.497 19.302 1.00 0.00 O ATOM 0 H GLU A 61 46.546 2.637 19.045 1.00 0.00 H new ATOM 0 HA GLU A 61 46.993 2.526 21.969 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.247 0.483 21.654 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.587 0.288 21.128 1.00 0.00 H new ATOM 0 HG2 GLU A 61 47.228 0.392 18.801 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.864 0.865 19.212 1.00 0.00 H new ATOM 1201 N VAL A 62 49.444 3.189 21.705 1.00 0.00 N ATOM 1202 CA VAL A 62 50.693 3.925 21.575 1.00 0.00 C ATOM 1203 C VAL A 62 51.843 3.020 21.134 1.00 0.00 C ATOM 1204 O VAL A 62 52.094 1.966 21.730 1.00 0.00 O ATOM 1205 CB VAL A 62 51.068 4.634 22.891 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.276 5.538 22.689 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.885 5.425 23.423 1.00 0.00 C ATOM 0 H VAL A 62 49.261 2.832 22.643 1.00 0.00 H new ATOM 0 HA VAL A 62 50.531 4.677 20.803 1.00 0.00 H new ATOM 0 HB VAL A 62 51.333 3.876 23.628 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.524 6.029 23.630 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.125 4.941 22.356 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.045 6.292 21.936 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.166 5.920 24.353 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.588 6.174 22.689 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.050 4.750 23.610 1.00 0.00 H new ATOM 1217 N VAL A 63 52.536 3.453 20.093 1.00 0.00 N ATOM 1218 CA VAL A 63 53.667 2.735 19.527 1.00 0.00 C ATOM 1219 C VAL A 63 54.816 3.711 19.276 1.00 0.00 C ATOM 1220 O VAL A 63 54.619 4.928 19.318 1.00 0.00 O ATOM 1221 CB VAL A 63 53.298 2.021 18.191 1.00 0.00 C ATOM 1222 CG1 VAL A 63 52.255 0.938 18.421 1.00 0.00 C ATOM 1223 CG2 VAL A 63 52.803 3.021 17.155 1.00 0.00 C ATOM 0 H VAL A 63 52.325 4.326 19.610 1.00 0.00 H new ATOM 0 HA VAL A 63 53.965 1.970 20.244 1.00 0.00 H new ATOM 0 HB VAL A 63 54.203 1.550 17.808 1.00 0.00 H new ATOM 0 HG11 VAL A 63 52.016 0.456 17.473 1.00 0.00 H new ATOM 0 HG12 VAL A 63 52.648 0.196 19.116 1.00 0.00 H new ATOM 0 HG13 VAL A 63 51.353 1.385 18.839 1.00 0.00 H new ATOM 0 HG21 VAL A 63 52.553 2.496 16.233 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.917 3.530 17.535 1.00 0.00 H new ATOM 0 HG23 VAL A 63 53.584 3.754 16.954 1.00 0.00 H new ATOM 1233 N GLY A 64 56.007 3.196 19.055 1.00 0.00 N ATOM 1234 CA GLY A 64 57.129 4.067 18.788 1.00 0.00 C ATOM 1235 C GLY A 64 58.066 3.484 17.763 1.00 0.00 C ATOM 1236 O GLY A 64 58.179 2.246 17.693 1.00 0.00 O ATOM 1237 OXT GLY A 64 58.690 4.259 17.011 1.00 0.00 O ATOM 0 H GLY A 64 56.220 2.199 19.055 1.00 0.00 H new ATOM 0 HA2 GLY A 64 56.763 5.032 18.437 1.00 0.00 H new ATOM 0 HA3 GLY A 64 57.674 4.250 19.714 1.00 0.00 H new