USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 ASN : amide:sc= -0.598 K(o=-0.6,f=-4.9!) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot 174:sc= 1.64 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= -0.632 USER MOD Single : A 14 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.4!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0651 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 21 GLN : amide:sc= 0.0138 X(o=0.014,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0985 X(o=-0.098,f=-0.098) USER MOD Single : A 30 SER OG : rot -58:sc= 0.0943 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.556 K(o=-0.56,f=-5.4!) USER MOD Single : A 33 ASN : amide:sc= -0.0652 K(o=-0.065,f=-2.1!) USER MOD Single : A 39 SER OG : rot 86:sc= 1.32 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.654 K(o=-0.65,f=-5.2!) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -138:sc= -0.199 (180deg=-1.01) USER MOD Single : A 52 ASN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc=-0.00297 (180deg=-0.239) USER MOD Single : A 63 ASN : amide:sc= -3.55 K(o=-3.6,f=-8.2!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 16.592 9.242 -13.711 1.00 0.00 N ATOM 211 CA CYS A 13 15.463 9.282 -14.634 1.00 0.00 C ATOM 212 C CYS A 13 15.797 8.537 -15.924 1.00 0.00 C ATOM 213 O CYS A 13 16.290 9.127 -16.886 1.00 0.00 O ATOM 214 CB CYS A 13 15.104 10.736 -14.955 1.00 0.00 C ATOM 215 SG CYS A 13 13.460 11.113 -14.298 1.00 0.00 S ATOM 0 HA CYS A 13 14.611 8.795 -14.160 1.00 0.00 H new ATOM 0 HB2 CYS A 13 15.844 11.408 -14.520 1.00 0.00 H new ATOM 0 HB3 CYS A 13 15.122 10.896 -16.033 1.00 0.00 H new ATOM 220 N ASN A 14 15.528 7.235 -15.938 1.00 0.00 N ATOM 221 CA ASN A 14 15.808 6.424 -17.117 1.00 0.00 C ATOM 222 C ASN A 14 14.513 6.025 -17.825 1.00 0.00 C ATOM 223 O ASN A 14 14.500 5.822 -19.039 1.00 0.00 O ATOM 224 CB ASN A 14 16.586 5.168 -16.718 1.00 0.00 C ATOM 225 CG ASN A 14 15.870 4.448 -15.580 1.00 0.00 C ATOM 226 OD1 ASN A 14 14.728 4.015 -15.739 1.00 0.00 O ATOM 227 ND2 ASN A 14 16.475 4.293 -14.434 1.00 0.00 N ATOM 0 H ASN A 14 15.121 6.724 -15.155 1.00 0.00 H new ATOM 0 HA ASN A 14 16.409 7.019 -17.804 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.683 4.503 -17.576 1.00 0.00 H new ATOM 0 HB3 ASN A 14 17.596 5.439 -16.409 1.00 0.00 H new ATOM 0 HD21 ASN A 14 16.002 3.813 -13.668 1.00 0.00 H new ATOM 0 HD22 ASN A 14 17.421 4.652 -14.304 1.00 0.00 H new ATOM 234 N THR A 15 13.428 5.911 -17.061 1.00 0.00 N ATOM 235 CA THR A 15 12.139 5.532 -17.633 1.00 0.00 C ATOM 236 C THR A 15 11.827 6.377 -18.865 1.00 0.00 C ATOM 237 O THR A 15 12.186 7.553 -18.932 1.00 0.00 O ATOM 238 CB THR A 15 11.027 5.708 -16.593 1.00 0.00 C ATOM 239 OG1 THR A 15 9.764 5.571 -17.229 1.00 0.00 O ATOM 240 CG2 THR A 15 11.127 7.094 -15.947 1.00 0.00 C ATOM 0 H THR A 15 13.416 6.074 -16.054 1.00 0.00 H new ATOM 0 HA THR A 15 12.192 4.485 -17.930 1.00 0.00 H new ATOM 0 HB THR A 15 11.135 4.947 -15.820 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.050 5.681 -16.566 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.333 7.210 -15.209 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.095 7.198 -15.457 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.024 7.861 -16.714 1.00 0.00 H new ATOM 248 N ALA A 16 11.168 5.763 -19.842 1.00 0.00 N ATOM 249 CA ALA A 16 10.820 6.456 -21.078 1.00 0.00 C ATOM 250 C ALA A 16 9.855 7.610 -20.820 1.00 0.00 C ATOM 251 O ALA A 16 9.780 8.551 -21.609 1.00 0.00 O ATOM 252 CB ALA A 16 10.178 5.471 -22.057 1.00 0.00 C ATOM 0 H ALA A 16 10.865 4.790 -19.803 1.00 0.00 H new ATOM 0 HA ALA A 16 11.737 6.865 -21.502 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.919 5.991 -22.979 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.881 4.668 -22.278 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.276 5.051 -21.612 1.00 0.00 H new ATOM 258 N THR A 17 9.115 7.536 -19.718 1.00 0.00 N ATOM 259 CA THR A 17 8.158 8.587 -19.384 1.00 0.00 C ATOM 260 C THR A 17 8.880 9.868 -18.973 1.00 0.00 C ATOM 261 O THR A 17 8.507 10.964 -19.392 1.00 0.00 O ATOM 262 CB THR A 17 7.248 8.122 -18.245 1.00 0.00 C ATOM 263 OG1 THR A 17 6.534 6.964 -18.656 1.00 0.00 O ATOM 264 CG2 THR A 17 6.260 9.235 -17.893 1.00 0.00 C ATOM 0 H THR A 17 9.158 6.769 -19.047 1.00 0.00 H new ATOM 0 HA THR A 17 7.556 8.795 -20.269 1.00 0.00 H new ATOM 0 HB THR A 17 7.852 7.886 -17.369 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.952 6.663 -17.928 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.612 8.903 -17.082 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.809 10.123 -17.579 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.654 9.473 -18.767 1.00 0.00 H new ATOM 272 N CYS A 18 9.912 9.722 -18.151 1.00 0.00 N ATOM 273 CA CYS A 18 10.676 10.875 -17.690 1.00 0.00 C ATOM 274 C CYS A 18 11.340 11.580 -18.868 1.00 0.00 C ATOM 275 O CYS A 18 11.317 12.806 -18.964 1.00 0.00 O ATOM 276 CB CYS A 18 11.743 10.428 -16.689 1.00 0.00 C ATOM 277 SG CYS A 18 12.462 11.877 -15.880 1.00 0.00 S ATOM 0 H CYS A 18 10.237 8.824 -17.792 1.00 0.00 H new ATOM 0 HA CYS A 18 9.993 11.571 -17.203 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.302 9.765 -15.945 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.521 9.861 -17.200 1.00 0.00 H new ATOM 282 N ALA A 19 11.930 10.796 -19.763 1.00 0.00 N ATOM 283 CA ALA A 19 12.598 11.355 -20.932 1.00 0.00 C ATOM 284 C ALA A 19 11.596 12.065 -21.838 1.00 0.00 C ATOM 285 O ALA A 19 11.905 13.101 -22.425 1.00 0.00 O ATOM 286 CB ALA A 19 13.299 10.244 -21.715 1.00 0.00 C ATOM 0 H ALA A 19 11.960 9.778 -19.703 1.00 0.00 H new ATOM 0 HA ALA A 19 13.336 12.080 -20.590 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.795 10.671 -22.587 1.00 0.00 H new ATOM 0 HB2 ALA A 19 14.038 9.760 -21.077 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.563 9.508 -22.040 1.00 0.00 H new ATOM 292 N THR A 20 10.400 11.496 -21.955 1.00 0.00 N ATOM 293 CA THR A 20 9.362 12.077 -22.802 1.00 0.00 C ATOM 294 C THR A 20 9.210 13.573 -22.541 1.00 0.00 C ATOM 295 O THR A 20 9.080 14.363 -23.476 1.00 0.00 O ATOM 296 CB THR A 20 8.025 11.379 -22.545 1.00 0.00 C ATOM 297 OG1 THR A 20 8.146 9.998 -22.859 1.00 0.00 O ATOM 298 CG2 THR A 20 6.941 12.009 -23.420 1.00 0.00 C ATOM 0 H THR A 20 10.126 10.638 -21.477 1.00 0.00 H new ATOM 0 HA THR A 20 9.659 11.934 -23.841 1.00 0.00 H new ATOM 0 HB THR A 20 7.752 11.492 -21.496 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.488 9.514 -22.079 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.989 11.511 -23.236 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.849 13.068 -23.179 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.211 11.898 -24.470 1.00 0.00 H new ATOM 306 N GLN A 21 9.217 13.960 -21.270 1.00 0.00 N ATOM 307 CA GLN A 21 9.070 15.368 -20.916 1.00 0.00 C ATOM 308 C GLN A 21 10.335 16.150 -21.263 1.00 0.00 C ATOM 309 O GLN A 21 10.281 17.355 -21.508 1.00 0.00 O ATOM 310 CB GLN A 21 8.764 15.506 -19.420 1.00 0.00 C ATOM 311 CG GLN A 21 10.059 15.746 -18.640 1.00 0.00 C ATOM 312 CD GLN A 21 9.812 15.546 -17.149 1.00 0.00 C ATOM 313 OE1 GLN A 21 8.983 16.237 -16.558 1.00 0.00 O ATOM 314 NE2 GLN A 21 10.487 14.635 -16.502 1.00 0.00 N ATOM 0 H GLN A 21 9.321 13.328 -20.476 1.00 0.00 H new ATOM 0 HA GLN A 21 8.241 15.780 -21.491 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.073 16.333 -19.257 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.273 14.604 -19.056 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.833 15.060 -18.984 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.423 16.757 -18.825 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.174 14.063 -16.994 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.328 14.495 -15.504 1.00 0.00 H new ATOM 323 N ARG A 22 11.472 15.460 -21.280 1.00 0.00 N ATOM 324 CA ARG A 22 12.741 16.108 -21.596 1.00 0.00 C ATOM 325 C ARG A 22 12.831 16.424 -23.088 1.00 0.00 C ATOM 326 O ARG A 22 13.160 17.545 -23.476 1.00 0.00 O ATOM 327 CB ARG A 22 13.906 15.200 -21.182 1.00 0.00 C ATOM 328 CG ARG A 22 15.240 15.807 -21.634 1.00 0.00 C ATOM 329 CD ARG A 22 15.413 17.197 -21.017 1.00 0.00 C ATOM 330 NE ARG A 22 15.229 17.134 -19.570 1.00 0.00 N ATOM 331 CZ ARG A 22 16.193 16.698 -18.757 1.00 0.00 C ATOM 332 NH1 ARG A 22 17.347 16.306 -19.236 1.00 0.00 N ATOM 333 NH2 ARG A 22 15.984 16.662 -17.470 1.00 0.00 N ATOM 0 H ARG A 22 11.541 14.462 -21.081 1.00 0.00 H new ATOM 0 HA ARG A 22 12.799 17.045 -21.042 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.907 15.068 -20.100 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.780 14.211 -21.623 1.00 0.00 H new ATOM 0 HG2 ARG A 22 16.065 15.161 -21.333 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.269 15.876 -22.721 1.00 0.00 H new ATOM 0 HD2 ARG A 22 16.405 17.584 -21.248 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.692 17.888 -21.453 1.00 0.00 H new ATOM 0 HE ARG A 22 14.339 17.431 -19.170 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.517 16.332 -20.241 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.076 15.975 -18.604 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.088 16.966 -17.090 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.717 16.330 -16.843 1.00 0.00 H new ATOM 347 N LEU A 23 12.542 15.427 -23.918 1.00 0.00 N ATOM 348 CA LEU A 23 12.600 15.616 -25.363 1.00 0.00 C ATOM 349 C LEU A 23 11.425 16.464 -25.841 1.00 0.00 C ATOM 350 O LEU A 23 11.551 17.229 -26.797 1.00 0.00 O ATOM 351 CB LEU A 23 12.599 14.262 -26.082 1.00 0.00 C ATOM 352 CG LEU A 23 11.296 13.513 -25.795 1.00 0.00 C ATOM 353 CD1 LEU A 23 10.345 13.667 -26.984 1.00 0.00 C ATOM 354 CD2 LEU A 23 11.602 12.028 -25.578 1.00 0.00 C ATOM 0 H LEU A 23 12.268 14.491 -23.620 1.00 0.00 H new ATOM 0 HA LEU A 23 13.526 16.138 -25.601 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.712 14.412 -27.156 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.450 13.666 -25.752 1.00 0.00 H new ATOM 0 HG LEU A 23 10.829 13.925 -24.901 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.417 13.133 -26.779 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.129 14.724 -27.142 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.811 13.254 -27.879 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.675 11.492 -25.373 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.068 11.618 -26.474 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.280 11.916 -24.732 1.00 0.00 H new ATOM 366 N ALA A 24 10.284 16.326 -25.173 1.00 0.00 N ATOM 367 CA ALA A 24 9.099 17.089 -25.548 1.00 0.00 C ATOM 368 C ALA A 24 9.389 18.585 -25.485 1.00 0.00 C ATOM 369 O ALA A 24 9.048 19.332 -26.401 1.00 0.00 O ATOM 370 CB ALA A 24 7.940 16.751 -24.609 1.00 0.00 C ATOM 0 H ALA A 24 10.155 15.700 -24.378 1.00 0.00 H new ATOM 0 HA ALA A 24 8.825 16.824 -26.569 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.059 17.325 -24.897 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.716 15.686 -24.676 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.217 17.000 -23.585 1.00 0.00 H new ATOM 376 N ASN A 25 10.019 19.016 -24.398 1.00 0.00 N ATOM 377 CA ASN A 25 10.348 20.426 -24.229 1.00 0.00 C ATOM 378 C ASN A 25 11.273 20.898 -25.346 1.00 0.00 C ATOM 379 O ASN A 25 11.111 21.996 -25.878 1.00 0.00 O ATOM 380 CB ASN A 25 11.027 20.646 -22.876 1.00 0.00 C ATOM 381 CG ASN A 25 11.304 22.131 -22.666 1.00 0.00 C ATOM 382 OD1 ASN A 25 10.377 22.942 -22.663 1.00 0.00 O ATOM 383 ND2 ASN A 25 12.531 22.538 -22.492 1.00 0.00 N ATOM 0 H ASN A 25 10.310 18.415 -23.627 1.00 0.00 H new ATOM 0 HA ASN A 25 9.424 21.002 -24.270 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.391 20.270 -22.075 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.960 20.084 -22.832 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.724 23.530 -22.353 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.297 21.864 -22.495 1.00 0.00 H new ATOM 390 N PHE A 26 12.246 20.061 -25.694 1.00 0.00 N ATOM 391 CA PHE A 26 13.196 20.403 -26.747 1.00 0.00 C ATOM 392 C PHE A 26 12.483 20.563 -28.087 1.00 0.00 C ATOM 393 O PHE A 26 12.820 21.444 -28.878 1.00 0.00 O ATOM 394 CB PHE A 26 14.267 19.316 -26.861 1.00 0.00 C ATOM 395 CG PHE A 26 15.279 19.715 -27.907 1.00 0.00 C ATOM 396 CD1 PHE A 26 16.274 20.651 -27.598 1.00 0.00 C ATOM 397 CD2 PHE A 26 15.222 19.151 -29.187 1.00 0.00 C ATOM 398 CE1 PHE A 26 17.212 21.022 -28.568 1.00 0.00 C ATOM 399 CE2 PHE A 26 16.161 19.522 -30.158 1.00 0.00 C ATOM 400 CZ PHE A 26 17.156 20.458 -29.848 1.00 0.00 C ATOM 0 H PHE A 26 12.397 19.148 -25.266 1.00 0.00 H new ATOM 0 HA PHE A 26 13.668 21.350 -26.487 1.00 0.00 H new ATOM 0 HB2 PHE A 26 14.759 19.173 -25.899 1.00 0.00 H new ATOM 0 HB3 PHE A 26 13.808 18.364 -27.128 1.00 0.00 H new ATOM 0 HD1 PHE A 26 16.317 21.087 -26.611 1.00 0.00 H new ATOM 0 HD2 PHE A 26 14.454 18.430 -29.426 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.979 21.744 -28.329 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.118 19.087 -31.145 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.880 20.745 -30.596 1.00 0.00 H new ATOM 410 N LEU A 27 11.498 19.705 -28.338 1.00 0.00 N ATOM 411 CA LEU A 27 10.748 19.761 -29.587 1.00 0.00 C ATOM 412 C LEU A 27 10.173 21.161 -29.790 1.00 0.00 C ATOM 413 O LEU A 27 10.507 21.850 -30.754 1.00 0.00 O ATOM 414 CB LEU A 27 9.616 18.714 -29.540 1.00 0.00 C ATOM 415 CG LEU A 27 8.706 18.766 -30.789 1.00 0.00 C ATOM 416 CD1 LEU A 27 7.575 19.788 -30.589 1.00 0.00 C ATOM 417 CD2 LEU A 27 9.515 19.121 -32.046 1.00 0.00 C ATOM 0 H LEU A 27 11.203 18.968 -27.698 1.00 0.00 H new ATOM 0 HA LEU A 27 11.410 19.539 -30.424 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.051 17.718 -29.453 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.012 18.877 -28.648 1.00 0.00 H new ATOM 0 HG LEU A 27 8.270 17.776 -30.926 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.944 19.811 -31.478 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.975 19.502 -29.725 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.003 20.776 -30.422 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.851 19.151 -32.910 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.983 20.097 -31.914 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.286 18.368 -32.207 1.00 0.00 H new ATOM 429 N VAL A 28 9.306 21.576 -28.870 1.00 0.00 N ATOM 430 CA VAL A 28 8.686 22.893 -28.955 1.00 0.00 C ATOM 431 C VAL A 28 9.730 24.003 -28.841 1.00 0.00 C ATOM 432 O VAL A 28 9.475 25.147 -29.218 1.00 0.00 O ATOM 433 CB VAL A 28 7.650 23.053 -27.840 1.00 0.00 C ATOM 434 CG1 VAL A 28 6.592 21.955 -27.962 1.00 0.00 C ATOM 435 CG2 VAL A 28 8.342 22.945 -26.479 1.00 0.00 C ATOM 0 H VAL A 28 9.019 21.023 -28.063 1.00 0.00 H new ATOM 0 HA VAL A 28 8.199 22.975 -29.927 1.00 0.00 H new ATOM 0 HB VAL A 28 7.172 24.029 -27.928 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.855 22.070 -27.167 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.097 22.033 -28.930 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.069 20.979 -27.876 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.604 23.059 -25.685 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.822 21.970 -26.391 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.094 23.729 -26.390 1.00 0.00 H new ATOM 445 N HIS A 29 10.904 23.662 -28.313 1.00 0.00 N ATOM 446 CA HIS A 29 11.971 24.643 -28.151 1.00 0.00 C ATOM 447 C HIS A 29 12.809 24.755 -29.421 1.00 0.00 C ATOM 448 O HIS A 29 13.513 25.746 -29.620 1.00 0.00 O ATOM 449 CB HIS A 29 12.869 24.249 -26.977 1.00 0.00 C ATOM 450 CG HIS A 29 13.950 25.280 -26.804 1.00 0.00 C ATOM 451 ND1 HIS A 29 13.685 26.555 -26.327 1.00 0.00 N ATOM 452 CD2 HIS A 29 15.302 25.241 -27.038 1.00 0.00 C ATOM 453 CE1 HIS A 29 14.852 27.224 -26.290 1.00 0.00 C ATOM 454 NE2 HIS A 29 15.870 26.470 -26.713 1.00 0.00 N ATOM 0 H HIS A 29 11.138 22.722 -27.993 1.00 0.00 H new ATOM 0 HA HIS A 29 11.513 25.612 -27.952 1.00 0.00 H new ATOM 0 HB2 HIS A 29 12.278 24.169 -26.064 1.00 0.00 H new ATOM 0 HB3 HIS A 29 13.312 23.269 -27.157 1.00 0.00 H new ATOM 0 HD2 HIS A 29 15.843 24.387 -27.417 1.00 0.00 H new ATOM 0 HE1 HIS A 29 14.953 28.247 -25.958 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.852 26.737 -26.783 1.00 0.00 H new ATOM 463 N SER A 30 12.737 23.739 -30.277 1.00 0.00 N ATOM 464 CA SER A 30 13.501 23.740 -31.521 1.00 0.00 C ATOM 465 C SER A 30 12.751 24.472 -32.634 1.00 0.00 C ATOM 466 O SER A 30 13.046 24.286 -33.812 1.00 0.00 O ATOM 467 CB SER A 30 13.772 22.301 -31.958 1.00 0.00 C ATOM 468 OG SER A 30 14.905 22.276 -32.817 1.00 0.00 O ATOM 0 H SER A 30 12.161 22.909 -30.133 1.00 0.00 H new ATOM 0 HA SER A 30 14.441 24.261 -31.339 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.948 21.671 -31.086 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.901 21.895 -32.473 1.00 0.00 H new ATOM 0 HG SER A 30 14.740 22.852 -33.592 1.00 0.00 H new ATOM 474 N SER A 31 11.781 25.301 -32.261 1.00 0.00 N ATOM 475 CA SER A 31 11.008 26.047 -33.248 1.00 0.00 C ATOM 476 C SER A 31 11.915 26.984 -34.041 1.00 0.00 C ATOM 477 O SER A 31 11.738 27.175 -35.244 1.00 0.00 O ATOM 478 CB SER A 31 9.926 26.866 -32.543 1.00 0.00 C ATOM 479 OG SER A 31 9.176 27.585 -33.513 1.00 0.00 O ATOM 0 H SER A 31 11.513 25.472 -31.292 1.00 0.00 H new ATOM 0 HA SER A 31 10.545 25.338 -33.935 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.270 26.209 -31.973 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.381 27.557 -31.833 1.00 0.00 H new ATOM 0 HG SER A 31 8.480 28.110 -33.065 1.00 0.00 H new ATOM 485 N ASN A 32 12.879 27.574 -33.341 1.00 0.00 N ATOM 486 CA ASN A 32 13.816 28.507 -33.963 1.00 0.00 C ATOM 487 C ASN A 32 14.817 27.773 -34.851 1.00 0.00 C ATOM 488 O ASN A 32 15.004 28.126 -36.015 1.00 0.00 O ATOM 489 CB ASN A 32 14.567 29.287 -32.883 1.00 0.00 C ATOM 490 CG ASN A 32 15.104 28.331 -31.823 1.00 0.00 C ATOM 491 OD1 ASN A 32 14.329 27.681 -31.121 1.00 0.00 O ATOM 492 ND2 ASN A 32 16.393 28.205 -31.665 1.00 0.00 N ATOM 0 H ASN A 32 13.033 27.424 -32.344 1.00 0.00 H new ATOM 0 HA ASN A 32 13.244 29.196 -34.585 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.390 29.844 -33.332 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.902 30.017 -32.422 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.760 27.567 -30.959 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.033 28.744 -32.248 1.00 0.00 H new ATOM 499 N ASN A 33 15.462 26.756 -34.292 1.00 0.00 N ATOM 500 CA ASN A 33 16.448 25.982 -35.040 1.00 0.00 C ATOM 501 C ASN A 33 15.810 25.309 -36.251 1.00 0.00 C ATOM 502 O ASN A 33 16.384 25.309 -37.339 1.00 0.00 O ATOM 503 CB ASN A 33 17.074 24.920 -34.133 1.00 0.00 C ATOM 504 CG ASN A 33 17.995 25.581 -33.114 1.00 0.00 C ATOM 505 OD1 ASN A 33 18.419 26.721 -33.306 1.00 0.00 O ATOM 506 ND2 ASN A 33 18.333 24.930 -32.034 1.00 0.00 N ATOM 0 H ASN A 33 15.322 26.449 -33.330 1.00 0.00 H new ATOM 0 HA ASN A 33 17.221 26.665 -35.391 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.291 24.362 -33.619 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.636 24.204 -34.732 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.949 25.366 -31.348 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.981 23.986 -31.876 1.00 0.00 H new ATOM 513 N PHE A 34 14.637 24.719 -36.053 1.00 0.00 N ATOM 514 CA PHE A 34 13.939 24.023 -37.132 1.00 0.00 C ATOM 515 C PHE A 34 13.923 24.848 -38.418 1.00 0.00 C ATOM 516 O PHE A 34 14.374 24.385 -39.465 1.00 0.00 O ATOM 517 CB PHE A 34 12.499 23.727 -36.707 1.00 0.00 C ATOM 518 CG PHE A 34 11.805 22.939 -37.792 1.00 0.00 C ATOM 519 CD1 PHE A 34 12.261 21.659 -38.129 1.00 0.00 C ATOM 520 CD2 PHE A 34 10.704 23.487 -38.462 1.00 0.00 C ATOM 521 CE1 PHE A 34 11.618 20.928 -39.134 1.00 0.00 C ATOM 522 CE2 PHE A 34 10.060 22.756 -39.468 1.00 0.00 C ATOM 523 CZ PHE A 34 10.518 21.476 -39.804 1.00 0.00 C ATOM 0 H PHE A 34 14.148 24.707 -35.158 1.00 0.00 H new ATOM 0 HA PHE A 34 14.474 23.094 -37.329 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.493 23.164 -35.774 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.965 24.659 -36.521 1.00 0.00 H new ATOM 0 HD1 PHE A 34 13.110 21.235 -37.613 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.351 24.474 -38.203 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.971 19.941 -39.393 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.211 23.179 -39.984 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.022 20.912 -40.580 1.00 0.00 H new ATOM 533 N GLY A 35 13.387 26.061 -38.339 1.00 0.00 N ATOM 534 CA GLY A 35 13.306 26.922 -39.515 1.00 0.00 C ATOM 535 C GLY A 35 14.692 27.305 -40.025 1.00 0.00 C ATOM 536 O GLY A 35 14.913 27.420 -41.229 1.00 0.00 O ATOM 0 H GLY A 35 13.006 26.467 -37.484 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.755 26.410 -40.304 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.746 27.824 -39.269 1.00 0.00 H new ATOM 540 N ALA A 36 15.618 27.507 -39.095 1.00 0.00 N ATOM 541 CA ALA A 36 16.982 27.883 -39.455 1.00 0.00 C ATOM 542 C ALA A 36 17.643 26.793 -40.295 1.00 0.00 C ATOM 543 O ALA A 36 18.347 27.086 -41.261 1.00 0.00 O ATOM 544 CB ALA A 36 17.807 28.134 -38.192 1.00 0.00 C ATOM 0 H ALA A 36 15.452 27.418 -38.093 1.00 0.00 H new ATOM 0 HA ALA A 36 16.939 28.798 -40.047 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.823 28.414 -38.471 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.354 28.940 -37.616 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.833 27.227 -37.588 1.00 0.00 H new ATOM 550 N ILE A 37 17.414 25.538 -39.926 1.00 0.00 N ATOM 551 CA ILE A 37 17.997 24.420 -40.661 1.00 0.00 C ATOM 552 C ILE A 37 17.281 24.218 -41.993 1.00 0.00 C ATOM 553 O ILE A 37 17.917 23.987 -43.021 1.00 0.00 O ATOM 554 CB ILE A 37 17.910 23.139 -39.828 1.00 0.00 C ATOM 555 CG1 ILE A 37 18.872 23.236 -38.641 1.00 0.00 C ATOM 556 CG2 ILE A 37 18.293 21.939 -40.695 1.00 0.00 C ATOM 557 CD1 ILE A 37 18.576 22.109 -37.650 1.00 0.00 C ATOM 0 H ILE A 37 16.835 25.270 -39.130 1.00 0.00 H new ATOM 0 HA ILE A 37 19.044 24.650 -40.859 1.00 0.00 H new ATOM 0 HB ILE A 37 16.891 23.013 -39.462 1.00 0.00 H new ATOM 0 HG12 ILE A 37 19.903 23.168 -38.988 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.765 24.203 -38.150 1.00 0.00 H new ATOM 0 HG21 ILE A 37 18.231 21.027 -40.102 1.00 0.00 H new ATOM 0 HG22 ILE A 37 17.610 21.869 -41.541 1.00 0.00 H new ATOM 0 HG23 ILE A 37 19.312 22.065 -41.061 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.261 22.178 -36.805 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.550 22.198 -37.293 1.00 0.00 H new ATOM 0 HD13 ILE A 37 18.706 21.146 -38.144 1.00 0.00 H new ATOM 569 N LEU A 38 15.955 24.307 -41.969 1.00 0.00 N ATOM 570 CA LEU A 38 15.169 24.132 -43.185 1.00 0.00 C ATOM 571 C LEU A 38 15.576 25.171 -44.225 1.00 0.00 C ATOM 572 O LEU A 38 15.851 24.843 -45.378 1.00 0.00 O ATOM 573 CB LEU A 38 13.678 24.277 -42.862 1.00 0.00 C ATOM 574 CG LEU A 38 12.846 24.114 -44.138 1.00 0.00 C ATOM 575 CD1 LEU A 38 13.036 22.704 -44.702 1.00 0.00 C ATOM 576 CD2 LEU A 38 11.368 24.331 -43.807 1.00 0.00 C ATOM 0 H LEU A 38 15.407 24.497 -41.130 1.00 0.00 H new ATOM 0 HA LEU A 38 15.355 23.136 -43.588 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.382 23.528 -42.127 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.488 25.253 -42.416 1.00 0.00 H new ATOM 0 HG LEU A 38 13.171 24.846 -44.878 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.443 22.592 -45.609 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.089 22.544 -44.935 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.712 21.970 -43.964 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.772 24.216 -44.712 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.049 23.597 -43.067 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.229 25.335 -43.406 1.00 0.00 H new ATOM 588 N SER A 39 15.602 26.428 -43.797 1.00 0.00 N ATOM 589 CA SER A 39 15.968 27.529 -44.681 1.00 0.00 C ATOM 590 C SER A 39 17.275 27.227 -45.410 1.00 0.00 C ATOM 591 O SER A 39 17.516 27.733 -46.506 1.00 0.00 O ATOM 592 CB SER A 39 16.122 28.816 -43.872 1.00 0.00 C ATOM 593 OG SER A 39 14.875 29.145 -43.274 1.00 0.00 O ATOM 0 H SER A 39 15.374 26.710 -42.844 1.00 0.00 H new ATOM 0 HA SER A 39 15.176 27.653 -45.419 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.885 28.688 -43.104 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.454 29.628 -44.518 1.00 0.00 H new ATOM 0 HG SER A 39 14.789 28.676 -42.418 1.00 0.00 H new ATOM 599 N SER A 40 18.115 26.403 -44.793 1.00 0.00 N ATOM 600 CA SER A 40 19.397 26.043 -45.391 1.00 0.00 C ATOM 601 C SER A 40 19.268 24.767 -46.218 1.00 0.00 C ATOM 602 O SER A 40 20.225 24.004 -46.352 1.00 0.00 O ATOM 603 CB SER A 40 20.444 25.840 -44.296 1.00 0.00 C ATOM 604 OG SER A 40 20.730 27.090 -43.683 1.00 0.00 O ATOM 0 H SER A 40 17.934 25.974 -43.885 1.00 0.00 H new ATOM 0 HA SER A 40 19.709 26.855 -46.048 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.077 25.133 -43.552 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.353 25.413 -44.720 1.00 0.00 H new ATOM 0 HG SER A 40 21.400 26.963 -42.979 1.00 0.00 H new ATOM 610 N THR A 41 18.080 24.542 -46.768 1.00 0.00 N ATOM 611 CA THR A 41 17.834 23.355 -47.579 1.00 0.00 C ATOM 612 C THR A 41 18.779 23.308 -48.779 1.00 0.00 C ATOM 613 O THR A 41 18.973 22.252 -49.382 1.00 0.00 O ATOM 614 CB THR A 41 16.385 23.350 -48.069 1.00 0.00 C ATOM 615 OG1 THR A 41 16.147 22.173 -48.827 1.00 0.00 O ATOM 616 CG2 THR A 41 16.134 24.581 -48.941 1.00 0.00 C ATOM 0 H THR A 41 17.276 25.162 -46.668 1.00 0.00 H new ATOM 0 HA THR A 41 18.015 22.476 -46.960 1.00 0.00 H new ATOM 0 HB THR A 41 15.712 23.373 -47.212 1.00 0.00 H new ATOM 0 HG1 THR A 41 15.198 22.124 -49.066 1.00 0.00 H new ATOM 0 HG21 THR A 41 15.101 24.576 -49.289 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.316 25.483 -48.357 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.806 24.562 -49.799 1.00 0.00 H new ATOM 624 N ASN A 42 19.362 24.453 -49.123 1.00 0.00 N ATOM 625 CA ASN A 42 20.281 24.519 -50.255 1.00 0.00 C ATOM 626 C ASN A 42 21.686 24.061 -49.858 1.00 0.00 C ATOM 627 O ASN A 42 22.631 24.201 -50.635 1.00 0.00 O ATOM 628 CB ASN A 42 20.345 25.952 -50.788 1.00 0.00 C ATOM 629 CG ASN A 42 21.050 26.852 -49.779 1.00 0.00 C ATOM 630 OD1 ASN A 42 21.226 26.470 -48.622 1.00 0.00 O ATOM 631 ND2 ASN A 42 21.468 28.031 -50.150 1.00 0.00 N ATOM 0 H ASN A 42 19.217 25.339 -48.640 1.00 0.00 H new ATOM 0 HA ASN A 42 19.908 23.850 -51.031 1.00 0.00 H new ATOM 0 HB2 ASN A 42 20.877 25.972 -51.739 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.338 26.324 -50.978 1.00 0.00 H new ATOM 0 HD21 ASN A 42 21.942 28.638 -49.481 1.00 0.00 H new ATOM 0 HD22 ASN A 42 21.321 28.346 -51.109 1.00 0.00 H new ATOM 638 N VAL A 43 21.823 23.514 -48.651 1.00 0.00 N ATOM 639 CA VAL A 43 23.123 23.045 -48.182 1.00 0.00 C ATOM 640 C VAL A 43 23.352 21.587 -48.583 1.00 0.00 C ATOM 641 O VAL A 43 24.209 20.907 -48.019 1.00 0.00 O ATOM 642 CB VAL A 43 23.203 23.186 -46.658 1.00 0.00 C ATOM 643 CG1 VAL A 43 22.438 22.038 -45.991 1.00 0.00 C ATOM 644 CG2 VAL A 43 24.669 23.154 -46.214 1.00 0.00 C ATOM 0 H VAL A 43 21.059 23.386 -47.988 1.00 0.00 H new ATOM 0 HA VAL A 43 23.900 23.654 -48.645 1.00 0.00 H new ATOM 0 HB VAL A 43 22.757 24.135 -46.361 1.00 0.00 H new ATOM 0 HG11 VAL A 43 22.497 22.142 -44.908 1.00 0.00 H new ATOM 0 HG12 VAL A 43 21.394 22.068 -46.302 1.00 0.00 H new ATOM 0 HG13 VAL A 43 22.878 21.086 -46.289 1.00 0.00 H new ATOM 0 HG21 VAL A 43 24.723 23.254 -45.130 1.00 0.00 H new ATOM 0 HG22 VAL A 43 25.119 22.208 -46.514 1.00 0.00 H new ATOM 0 HG23 VAL A 43 25.209 23.977 -46.682 1.00 0.00 H new ATOM 654 N GLY A 44 22.586 21.111 -49.563 1.00 0.00 N ATOM 655 CA GLY A 44 22.724 19.733 -50.024 1.00 0.00 C ATOM 656 C GLY A 44 21.390 18.993 -49.955 1.00 0.00 C ATOM 657 O GLY A 44 21.200 17.978 -50.624 1.00 0.00 O ATOM 0 H GLY A 44 21.871 21.653 -50.048 1.00 0.00 H new ATOM 0 HA2 GLY A 44 23.095 19.725 -51.049 1.00 0.00 H new ATOM 0 HA3 GLY A 44 23.463 19.214 -49.413 1.00 0.00 H new ATOM 661 N SER A 45 20.470 19.506 -49.142 1.00 0.00 N ATOM 662 CA SER A 45 19.160 18.881 -48.998 1.00 0.00 C ATOM 663 C SER A 45 18.128 19.593 -49.867 1.00 0.00 C ATOM 664 O SER A 45 16.959 19.701 -49.497 1.00 0.00 O ATOM 665 CB SER A 45 18.718 18.928 -47.535 1.00 0.00 C ATOM 666 OG SER A 45 18.696 20.279 -47.094 1.00 0.00 O ATOM 0 H SER A 45 20.606 20.345 -48.578 1.00 0.00 H new ATOM 0 HA SER A 45 19.236 17.843 -49.321 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.729 18.482 -47.427 1.00 0.00 H new ATOM 0 HB3 SER A 45 19.400 18.343 -46.918 1.00 0.00 H new ATOM 0 HG SER A 45 18.411 20.313 -46.157 1.00 0.00 H new ATOM 672 N ASN A 46 18.568 20.079 -51.024 1.00 0.00 N ATOM 673 CA ASN A 46 17.673 20.782 -51.937 1.00 0.00 C ATOM 674 C ASN A 46 16.882 19.801 -52.806 1.00 0.00 C ATOM 675 O ASN A 46 16.216 20.209 -53.758 1.00 0.00 O ATOM 676 CB ASN A 46 18.481 21.719 -52.836 1.00 0.00 C ATOM 677 CG ASN A 46 19.313 20.907 -53.823 1.00 0.00 C ATOM 678 OD1 ASN A 46 19.506 19.706 -53.633 1.00 0.00 O ATOM 679 ND2 ASN A 46 19.819 21.494 -54.873 1.00 0.00 N ATOM 0 H ASN A 46 19.531 20.000 -51.350 1.00 0.00 H new ATOM 0 HA ASN A 46 16.967 21.358 -51.339 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.810 22.386 -53.377 1.00 0.00 H new ATOM 0 HB3 ASN A 46 19.133 22.347 -52.228 1.00 0.00 H new ATOM 0 HD21 ASN A 46 20.376 20.958 -55.538 1.00 0.00 H new ATOM 0 HD22 ASN A 46 19.658 22.489 -55.028 1.00 0.00 H new ATOM 686 N THR A 47 16.952 18.512 -52.478 1.00 0.00 N ATOM 687 CA THR A 47 16.231 17.503 -53.245 1.00 0.00 C ATOM 688 C THR A 47 14.862 17.238 -52.626 1.00 0.00 C ATOM 689 O THR A 47 14.318 16.139 -52.744 1.00 0.00 O ATOM 690 CB THR A 47 17.036 16.202 -53.286 1.00 0.00 C ATOM 691 OG1 THR A 47 18.422 16.507 -53.341 1.00 0.00 O ATOM 692 CG2 THR A 47 16.639 15.394 -54.522 1.00 0.00 C ATOM 0 H THR A 47 17.494 18.146 -51.695 1.00 0.00 H new ATOM 0 HA THR A 47 16.093 17.875 -54.260 1.00 0.00 H new ATOM 0 HB THR A 47 16.828 15.616 -52.390 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.939 15.675 -53.366 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.213 14.468 -54.551 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.575 15.161 -54.478 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.846 15.977 -55.420 1.00 0.00 H new ATOM 700 N TYR A 48 14.311 18.251 -51.965 1.00 0.00 N ATOM 701 CA TYR A 48 13.005 18.117 -51.329 1.00 0.00 C ATOM 702 C TYR A 48 11.916 18.777 -52.175 1.00 0.00 C ATOM 703 O TYR A 48 10.837 19.093 -51.675 1.00 0.00 O ATOM 704 CB TYR A 48 13.034 18.757 -49.937 1.00 0.00 C ATOM 705 CG TYR A 48 12.945 20.260 -50.062 1.00 0.00 C ATOM 706 CD1 TYR A 48 11.756 20.922 -49.729 1.00 0.00 C ATOM 707 CD2 TYR A 48 14.051 20.994 -50.509 1.00 0.00 C ATOM 708 CE1 TYR A 48 11.673 22.314 -49.844 1.00 0.00 C ATOM 709 CE2 TYR A 48 13.968 22.386 -50.624 1.00 0.00 C ATOM 710 CZ TYR A 48 12.779 23.047 -50.292 1.00 0.00 C ATOM 711 OH TYR A 48 12.698 24.420 -50.405 1.00 0.00 O ATOM 0 H TYR A 48 14.745 19.168 -51.856 1.00 0.00 H new ATOM 0 HA TYR A 48 12.777 17.055 -51.238 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.204 18.383 -49.338 1.00 0.00 H new ATOM 0 HB3 TYR A 48 13.952 18.480 -49.418 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.903 20.357 -49.383 1.00 0.00 H new ATOM 0 HD2 TYR A 48 14.969 20.485 -50.765 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.756 22.823 -49.587 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.821 22.951 -50.969 1.00 0.00 H new ATOM 0 HH TYR A 48 12.068 24.766 -49.739 1.00 0.00 H new ATOM 721 N GLY A 49 12.202 18.979 -53.459 1.00 0.00 N ATOM 722 CA GLY A 49 11.233 19.601 -54.354 1.00 0.00 C ATOM 723 C GLY A 49 9.872 18.924 -54.239 1.00 0.00 C ATOM 724 O GLY A 49 9.759 17.706 -54.374 1.00 0.00 O ATOM 0 H GLY A 49 13.087 18.724 -53.898 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.138 20.660 -54.114 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.589 19.538 -55.382 1.00 0.00 H new ATOM 728 N LYS A 50 8.840 19.723 -53.990 1.00 0.00 N ATOM 729 CA LYS A 50 7.488 19.193 -53.857 1.00 0.00 C ATOM 730 C LYS A 50 6.956 18.732 -55.211 1.00 0.00 C ATOM 731 O LYS A 50 6.090 17.860 -55.284 1.00 0.00 O ATOM 732 CB LYS A 50 6.561 20.266 -53.283 1.00 0.00 C ATOM 733 CG LYS A 50 6.954 20.556 -51.833 1.00 0.00 C ATOM 734 CD LYS A 50 5.910 21.474 -51.192 1.00 0.00 C ATOM 735 CE LYS A 50 6.007 22.871 -51.808 1.00 0.00 C ATOM 736 NZ LYS A 50 7.373 23.422 -51.578 1.00 0.00 N ATOM 0 H LYS A 50 8.913 20.734 -53.877 1.00 0.00 H new ATOM 0 HA LYS A 50 7.519 18.338 -53.181 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.628 21.177 -53.878 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.525 19.930 -53.330 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.027 19.624 -51.272 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.937 21.026 -51.799 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.910 21.067 -51.345 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.071 21.528 -50.115 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.797 22.824 -52.877 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.259 23.528 -51.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.302 24.424 -51.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.838 22.891 -50.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.933 23.336 -52.450 1.00 0.00 H new ATOM 750 N ARG A 51 7.480 19.323 -56.280 1.00 0.00 N ATOM 751 CA ARG A 51 7.051 18.967 -57.628 1.00 0.00 C ATOM 752 C ARG A 51 7.489 17.548 -57.985 1.00 0.00 C ATOM 753 O ARG A 51 6.944 16.937 -58.904 1.00 0.00 O ATOM 754 CB ARG A 51 7.639 19.954 -58.641 1.00 0.00 C ATOM 755 CG ARG A 51 9.145 19.717 -58.781 1.00 0.00 C ATOM 756 CD ARG A 51 9.756 20.819 -59.648 1.00 0.00 C ATOM 757 NE ARG A 51 11.178 20.567 -59.858 1.00 0.00 N ATOM 758 CZ ARG A 51 12.090 20.871 -58.932 1.00 0.00 C ATOM 759 NH1 ARG A 51 11.736 21.406 -57.791 1.00 0.00 N ATOM 760 NH2 ARG A 51 13.352 20.633 -59.168 1.00 0.00 N ATOM 0 H ARG A 51 8.198 20.046 -56.240 1.00 0.00 H new ATOM 0 HA ARG A 51 5.962 19.013 -57.661 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.151 19.831 -59.608 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.451 20.978 -58.317 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.616 19.710 -57.798 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.330 18.741 -59.230 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.242 20.863 -60.608 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.618 21.788 -59.168 1.00 0.00 H new ATOM 0 HE ARG A 51 11.483 20.147 -60.736 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.752 21.596 -57.600 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.444 21.633 -57.093 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.635 20.217 -60.055 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.054 20.863 -58.465 1.00 0.00 H new ATOM 774 N ASN A 52 8.474 17.027 -57.260 1.00 0.00 N ATOM 775 CA ASN A 52 8.967 15.679 -57.521 1.00 0.00 C ATOM 776 C ASN A 52 7.969 14.635 -57.028 1.00 0.00 C ATOM 777 O ASN A 52 7.869 13.545 -57.591 1.00 0.00 O ATOM 778 CB ASN A 52 10.315 15.470 -56.829 1.00 0.00 C ATOM 779 CG ASN A 52 11.187 14.532 -57.656 1.00 0.00 C ATOM 780 OD1 ASN A 52 12.392 14.752 -57.781 1.00 0.00 O ATOM 781 ND2 ASN A 52 10.648 13.491 -58.230 1.00 0.00 N ATOM 0 H ASN A 52 8.943 17.512 -56.495 1.00 0.00 H new ATOM 0 HA ASN A 52 9.092 15.563 -58.598 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.819 16.428 -56.699 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.161 15.053 -55.834 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.225 12.858 -58.783 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.650 13.311 -58.125 1.00 0.00 H new ATOM 788 N ALA A 53 7.237 14.973 -55.973 1.00 0.00 N ATOM 789 CA ALA A 53 6.254 14.053 -55.410 1.00 0.00 C ATOM 790 C ALA A 53 5.199 13.676 -56.446 1.00 0.00 C ATOM 791 O ALA A 53 4.778 12.522 -56.523 1.00 0.00 O ATOM 792 CB ALA A 53 5.571 14.701 -54.204 1.00 0.00 C ATOM 0 H ALA A 53 7.304 15.870 -55.493 1.00 0.00 H new ATOM 0 HA ALA A 53 6.775 13.147 -55.100 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.838 14.011 -53.787 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.318 14.938 -53.447 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.070 15.616 -54.518 1.00 0.00 H new ATOM 798 N VAL A 54 4.768 14.653 -57.237 1.00 0.00 N ATOM 799 CA VAL A 54 3.755 14.400 -58.255 1.00 0.00 C ATOM 800 C VAL A 54 4.334 13.584 -59.409 1.00 0.00 C ATOM 801 O VAL A 54 3.616 12.820 -60.055 1.00 0.00 O ATOM 802 CB VAL A 54 3.188 15.725 -58.777 1.00 0.00 C ATOM 803 CG1 VAL A 54 3.959 16.174 -60.021 1.00 0.00 C ATOM 804 CG2 VAL A 54 1.712 15.538 -59.135 1.00 0.00 C ATOM 0 H VAL A 54 5.100 15.617 -57.194 1.00 0.00 H new ATOM 0 HA VAL A 54 2.950 13.824 -57.800 1.00 0.00 H new ATOM 0 HB VAL A 54 3.288 16.486 -58.003 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.548 17.116 -60.383 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.010 16.310 -59.768 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.868 15.416 -60.799 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.306 16.479 -59.507 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.619 14.773 -59.906 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.159 15.229 -58.248 1.00 0.00 H new ATOM 814 N GLU A 55 5.629 13.744 -59.666 1.00 0.00 N ATOM 815 CA GLU A 55 6.272 13.007 -60.750 1.00 0.00 C ATOM 816 C GLU A 55 6.181 11.503 -60.508 1.00 0.00 C ATOM 817 O GLU A 55 5.754 10.751 -61.383 1.00 0.00 O ATOM 818 CB GLU A 55 7.741 13.420 -60.863 1.00 0.00 C ATOM 819 CG GLU A 55 7.832 14.842 -61.419 1.00 0.00 C ATOM 820 CD GLU A 55 7.315 14.875 -62.853 1.00 0.00 C ATOM 821 OE1 GLU A 55 7.437 13.867 -63.530 1.00 0.00 O ATOM 822 OE2 GLU A 55 6.803 15.908 -63.254 1.00 0.00 O ATOM 0 H GLU A 55 6.247 14.368 -59.147 1.00 0.00 H new ATOM 0 HA GLU A 55 5.755 13.244 -61.680 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.220 13.370 -59.885 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.275 12.729 -61.515 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.249 15.522 -60.798 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.865 15.188 -61.388 1.00 0.00 H new ATOM 829 N VAL A 56 6.585 11.070 -59.317 1.00 0.00 N ATOM 830 CA VAL A 56 6.539 9.650 -58.984 1.00 0.00 C ATOM 831 C VAL A 56 5.093 9.187 -58.814 1.00 0.00 C ATOM 832 O VAL A 56 4.722 8.107 -59.272 1.00 0.00 O ATOM 833 CB VAL A 56 7.339 9.370 -57.706 1.00 0.00 C ATOM 834 CG1 VAL A 56 6.753 10.157 -56.532 1.00 0.00 C ATOM 835 CG2 VAL A 56 7.281 7.874 -57.391 1.00 0.00 C ATOM 0 H VAL A 56 6.943 11.672 -58.576 1.00 0.00 H new ATOM 0 HA VAL A 56 6.989 9.092 -59.805 1.00 0.00 H new ATOM 0 HB VAL A 56 8.373 9.678 -57.859 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.330 9.949 -55.631 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.795 11.224 -56.752 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.716 9.859 -56.376 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.849 7.671 -56.483 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.244 7.573 -57.245 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.709 7.311 -58.220 1.00 0.00 H new ATOM 845 N LEU A 57 4.281 10.009 -58.155 1.00 0.00 N ATOM 846 CA LEU A 57 2.880 9.669 -57.935 1.00 0.00 C ATOM 847 C LEU A 57 2.212 9.244 -59.239 1.00 0.00 C ATOM 848 O LEU A 57 1.571 8.195 -59.301 1.00 0.00 O ATOM 849 CB LEU A 57 2.136 10.873 -57.352 1.00 0.00 C ATOM 850 CG LEU A 57 1.796 10.602 -55.885 1.00 0.00 C ATOM 851 CD1 LEU A 57 3.030 10.859 -55.017 1.00 0.00 C ATOM 852 CD2 LEU A 57 0.661 11.530 -55.447 1.00 0.00 C ATOM 0 H LEU A 57 4.567 10.908 -57.767 1.00 0.00 H new ATOM 0 HA LEU A 57 2.839 8.836 -57.233 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.752 11.769 -57.434 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.224 11.060 -57.919 1.00 0.00 H new ATOM 0 HG LEU A 57 1.483 9.564 -55.770 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.787 10.666 -53.972 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.839 10.198 -55.329 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.345 11.896 -55.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.417 11.339 -54.402 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.974 12.568 -55.562 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.218 11.346 -56.064 1.00 0.00 H new ATOM 864 N LYS A 58 2.361 10.059 -60.278 1.00 0.00 N ATOM 865 CA LYS A 58 1.758 9.742 -61.568 1.00 0.00 C ATOM 866 C LYS A 58 2.455 8.544 -62.202 1.00 0.00 C ATOM 867 O LYS A 58 1.852 7.798 -62.974 1.00 0.00 O ATOM 868 CB LYS A 58 1.850 10.949 -62.504 1.00 0.00 C ATOM 869 CG LYS A 58 0.892 12.043 -62.027 1.00 0.00 C ATOM 870 CD LYS A 58 -0.539 11.686 -62.436 1.00 0.00 C ATOM 871 CE LYS A 58 -1.476 12.839 -62.071 1.00 0.00 C ATOM 872 NZ LYS A 58 -1.558 12.962 -60.588 1.00 0.00 N ATOM 0 H LYS A 58 2.887 10.933 -60.254 1.00 0.00 H new ATOM 0 HA LYS A 58 0.709 9.494 -61.406 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.871 11.329 -62.524 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.600 10.652 -63.523 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.956 12.149 -60.944 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.176 13.003 -62.459 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.585 11.491 -63.508 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.855 10.773 -61.932 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.110 13.770 -62.504 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.468 12.662 -62.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.350 13.587 -60.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.711 12.022 -60.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.670 13.363 -60.223 1.00 0.00 H new ATOM 886 N ARG A 59 3.730 8.366 -61.869 1.00 0.00 N ATOM 887 CA ARG A 59 4.505 7.255 -62.409 1.00 0.00 C ATOM 888 C ARG A 59 3.886 5.921 -62.002 1.00 0.00 C ATOM 889 O ARG A 59 4.058 4.912 -62.686 1.00 0.00 O ATOM 890 CB ARG A 59 5.946 7.329 -61.901 1.00 0.00 C ATOM 891 CG ARG A 59 6.842 6.449 -62.773 1.00 0.00 C ATOM 892 CD ARG A 59 7.143 5.141 -62.040 1.00 0.00 C ATOM 893 NE ARG A 59 8.047 4.314 -62.833 1.00 0.00 N ATOM 894 CZ ARG A 59 8.646 3.237 -62.320 1.00 0.00 C ATOM 895 NH1 ARG A 59 8.441 2.884 -61.076 1.00 0.00 N ATOM 896 NH2 ARG A 59 9.446 2.527 -63.069 1.00 0.00 N ATOM 0 H ARG A 59 4.245 8.973 -61.232 1.00 0.00 H new ATOM 0 HA ARG A 59 4.500 7.327 -63.497 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.298 8.360 -61.924 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.994 6.999 -60.863 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.351 6.241 -63.723 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.771 6.972 -63.002 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.591 5.355 -61.070 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.216 4.600 -61.851 1.00 0.00 H new ATOM 0 HE ARG A 59 8.226 4.566 -63.805 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.817 3.434 -60.486 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.905 2.059 -60.697 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.610 2.797 -64.039 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.907 1.703 -62.684 1.00 0.00 H new ATOM 910 N GLU A 60 3.167 5.923 -60.884 1.00 0.00 N ATOM 911 CA GLU A 60 2.528 4.708 -60.394 1.00 0.00 C ATOM 912 C GLU A 60 1.013 4.887 -60.333 1.00 0.00 C ATOM 913 O GLU A 60 0.444 5.064 -59.256 1.00 0.00 O ATOM 914 CB GLU A 60 3.058 4.369 -59.000 1.00 0.00 C ATOM 915 CG GLU A 60 4.561 4.091 -59.078 1.00 0.00 C ATOM 916 CD GLU A 60 4.812 2.788 -59.829 1.00 0.00 C ATOM 917 OE1 GLU A 60 3.875 2.021 -59.975 1.00 0.00 O ATOM 918 OE2 GLU A 60 5.938 2.577 -60.249 1.00 0.00 O ATOM 0 H GLU A 60 3.013 6.747 -60.304 1.00 0.00 H new ATOM 0 HA GLU A 60 2.760 3.894 -61.081 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.865 5.195 -58.315 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.537 3.498 -58.603 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.066 4.915 -59.583 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.980 4.028 -58.074 1.00 0.00 H new ATOM 925 N PRO A 61 0.356 4.844 -61.463 1.00 0.00 N ATOM 926 CA PRO A 61 -1.126 5.005 -61.537 1.00 0.00 C ATOM 927 C PRO A 61 -1.874 3.850 -60.870 1.00 0.00 C ATOM 928 O PRO A 61 -3.094 3.898 -60.720 1.00 0.00 O ATOM 929 CB PRO A 61 -1.420 5.051 -63.040 1.00 0.00 C ATOM 930 CG PRO A 61 -0.253 4.394 -63.698 1.00 0.00 C ATOM 931 CD PRO A 61 0.952 4.636 -62.792 1.00 0.00 C ATOM 0 HA PRO A 61 -1.460 5.897 -61.007 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.347 4.528 -63.274 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.537 6.078 -63.385 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.432 3.327 -63.828 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.082 4.812 -64.690 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.633 3.785 -62.796 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.526 5.505 -63.113 1.00 0.00 H new ATOM 939 N LEU A 62 -1.140 2.816 -60.465 1.00 0.00 N ATOM 940 CA LEU A 62 -1.758 1.669 -59.813 1.00 0.00 C ATOM 941 C LEU A 62 -2.323 2.074 -58.455 1.00 0.00 C ATOM 942 O LEU A 62 -3.382 1.597 -58.046 1.00 0.00 O ATOM 943 CB LEU A 62 -0.729 0.551 -59.633 1.00 0.00 C ATOM 944 CG LEU A 62 -1.451 -0.774 -59.387 1.00 0.00 C ATOM 945 CD1 LEU A 62 -0.693 -1.905 -60.083 1.00 0.00 C ATOM 946 CD2 LEU A 62 -1.510 -1.051 -57.883 1.00 0.00 C ATOM 0 H LEU A 62 -0.128 2.750 -60.576 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.572 1.308 -60.441 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.100 0.475 -60.520 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.071 0.780 -58.795 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.463 -0.715 -59.786 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.208 -2.850 -59.908 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.650 -1.709 -61.154 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.320 -1.964 -59.684 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.025 -1.996 -57.707 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.497 -1.110 -57.484 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.050 -0.245 -57.386 1.00 0.00 H new ATOM 958 N ASN A 63 -1.614 2.961 -57.765 1.00 0.00 N ATOM 959 CA ASN A 63 -2.058 3.431 -56.457 1.00 0.00 C ATOM 960 C ASN A 63 -3.045 4.586 -56.609 1.00 0.00 C ATOM 961 O ASN A 63 -3.865 4.833 -55.725 1.00 0.00 O ATOM 962 CB ASN A 63 -0.854 3.895 -55.634 1.00 0.00 C ATOM 963 CG ASN A 63 0.037 4.803 -56.474 1.00 0.00 C ATOM 964 OD1 ASN A 63 1.102 4.382 -56.927 1.00 0.00 O ATOM 965 ND2 ASN A 63 -0.336 6.031 -56.710 1.00 0.00 N ATOM 0 H ASN A 63 -0.735 3.367 -58.087 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.555 2.607 -55.945 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.194 4.427 -54.746 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.285 3.032 -55.290 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.255 6.645 -57.271 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.219 6.377 -56.334 1.00 0.00 H new ATOM 972 N TYR A 64 -2.961 5.288 -57.735 1.00 0.00 N ATOM 973 CA TYR A 64 -3.853 6.414 -57.991 1.00 0.00 C ATOM 974 C TYR A 64 -5.172 5.932 -58.589 1.00 0.00 C ATOM 975 O TYR A 64 -6.200 6.597 -58.463 1.00 0.00 O ATOM 976 CB TYR A 64 -3.185 7.400 -58.951 1.00 0.00 C ATOM 977 CG TYR A 64 -4.137 8.532 -59.254 1.00 0.00 C ATOM 978 CD1 TYR A 64 -4.323 9.560 -58.321 1.00 0.00 C ATOM 979 CD2 TYR A 64 -4.835 8.554 -60.467 1.00 0.00 C ATOM 980 CE1 TYR A 64 -5.205 10.610 -58.602 1.00 0.00 C ATOM 981 CE2 TYR A 64 -5.718 9.604 -60.748 1.00 0.00 C ATOM 982 CZ TYR A 64 -5.903 10.632 -59.816 1.00 0.00 C ATOM 983 OH TYR A 64 -6.773 11.666 -60.093 1.00 0.00 O ATOM 0 H TYR A 64 -2.290 5.099 -58.480 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.059 6.911 -57.043 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.268 7.790 -58.509 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.903 6.892 -59.873 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.786 9.543 -57.384 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.693 7.761 -61.186 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.347 11.403 -57.883 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.256 9.621 -61.684 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.174 11.529 -60.977 1.00 0.00 H new ATOM 993 N LEU A 65 -5.136 4.773 -59.238 1.00 0.00 N ATOM 994 CA LEU A 65 -6.336 4.214 -59.850 1.00 0.00 C ATOM 995 C LEU A 65 -7.116 3.383 -58.830 1.00 0.00 C ATOM 996 O LEU A 65 -6.560 2.952 -57.820 1.00 0.00 O ATOM 997 CB LEU A 65 -5.949 3.337 -61.043 1.00 0.00 C ATOM 998 CG LEU A 65 -5.489 4.222 -62.203 1.00 0.00 C ATOM 999 CD1 LEU A 65 -4.779 3.362 -63.250 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -6.704 4.901 -62.842 1.00 0.00 C ATOM 0 H LEU A 65 -4.296 4.206 -59.353 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.968 5.033 -60.193 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.152 2.650 -60.759 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.800 2.729 -61.351 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.803 4.982 -61.829 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.451 3.992 -64.077 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.914 2.878 -62.797 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.466 2.602 -63.623 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.376 5.531 -63.668 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.391 4.141 -63.216 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.212 5.514 -62.097 1.00 0.00 H new