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 41 THR OG1 : rot -64:sc= 0.616 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= -0.457 USER MOD Set 1.3: A 48 TYR OH : rot 130:sc= -1.23 USER MOD Set 2.1: A 32 ASN : amide:sc= -0.367 K(o=-0.51,f=-4.4!) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.148 K(o=-0.51,f=-1.8) USER MOD Set 3.1: A 14 ASN : amide:sc= -1.11 K(o=-1,f=-4.6!) USER MOD Set 3.2: A 15 THR OG1 : rot 180:sc= 0.0992 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 21 GLN : amide:sc= -0.0505 K(o=-0.05,f=-1.3!) USER MOD Single : A 25 ASN : amide:sc= -0.0454 K(o=-0.045,f=-2.1!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=-0.11) USER MOD Single : A 30 SER OG : rot -48:sc= 1.16 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 80:sc= 0.153 USER MOD Single : A 40 SER OG : rot 89:sc= 0.0114 USER MOD Single : A 42 ASN : amide:sc= 0.544 K(o=0.54,f=-4!) USER MOD Single : A 46 ASN : amide:sc= 0.514 K(o=0.51,f=-4.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0076 USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= -0.225 (180deg=-0.996) USER MOD Single : A 52 ASN : amide:sc=-0.00182 X(o=-0.0018,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.0691 (180deg=-0.463) USER MOD Single : A 63 ASN : amide:sc= -1.01 K(o=-1,f=-6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 14.984 14.477 -17.402 1.00 0.00 N ATOM 211 CA CYS A 13 13.789 14.480 -18.237 1.00 0.00 C ATOM 212 C CYS A 13 14.033 13.709 -19.530 1.00 0.00 C ATOM 213 O CYS A 13 14.508 14.267 -20.519 1.00 0.00 O ATOM 214 CB CYS A 13 13.384 15.919 -18.566 1.00 0.00 C ATOM 215 SG CYS A 13 11.763 16.272 -17.844 1.00 0.00 S ATOM 0 HA CYS A 13 12.984 13.993 -17.686 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.127 16.615 -18.176 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.351 16.061 -19.646 1.00 0.00 H new ATOM 220 N ASN A 14 13.700 12.421 -19.513 1.00 0.00 N ATOM 221 CA ASN A 14 13.883 11.579 -20.691 1.00 0.00 C ATOM 222 C ASN A 14 12.534 11.117 -21.241 1.00 0.00 C ATOM 223 O ASN A 14 12.371 10.965 -22.452 1.00 0.00 O ATOM 224 CB ASN A 14 14.738 10.360 -20.336 1.00 0.00 C ATOM 225 CG ASN A 14 14.251 9.739 -19.032 1.00 0.00 C ATOM 226 OD1 ASN A 14 13.119 9.262 -18.954 1.00 0.00 O ATOM 227 ND2 ASN A 14 15.044 9.715 -17.995 1.00 0.00 N ATOM 0 H ASN A 14 13.305 11.941 -18.704 1.00 0.00 H new ATOM 0 HA ASN A 14 14.390 12.167 -21.456 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.687 9.625 -21.139 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.783 10.655 -20.239 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.726 9.301 -17.119 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.982 10.111 -18.061 1.00 0.00 H new ATOM 234 N THR A 15 11.575 10.888 -20.343 1.00 0.00 N ATOM 235 CA THR A 15 10.245 10.436 -20.743 1.00 0.00 C ATOM 236 C THR A 15 9.710 11.266 -21.907 1.00 0.00 C ATOM 237 O THR A 15 9.991 12.460 -22.013 1.00 0.00 O ATOM 238 CB THR A 15 9.283 10.542 -19.557 1.00 0.00 C ATOM 239 OG1 THR A 15 10.016 10.431 -18.345 1.00 0.00 O ATOM 240 CG2 THR A 15 8.247 9.419 -19.632 1.00 0.00 C ATOM 0 H THR A 15 11.695 11.008 -19.337 1.00 0.00 H new ATOM 0 HA THR A 15 10.322 9.398 -21.065 1.00 0.00 H new ATOM 0 HB THR A 15 8.773 11.505 -19.589 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.402 10.500 -17.584 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.564 9.497 -18.786 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.685 9.504 -20.562 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.753 8.454 -19.601 1.00 0.00 H new ATOM 248 N ALA A 16 8.941 10.621 -22.779 1.00 0.00 N ATOM 249 CA ALA A 16 8.370 11.301 -23.937 1.00 0.00 C ATOM 250 C ALA A 16 7.378 12.379 -23.506 1.00 0.00 C ATOM 251 O ALA A 16 7.082 13.301 -24.267 1.00 0.00 O ATOM 252 CB ALA A 16 7.659 10.287 -24.834 1.00 0.00 C ATOM 0 H ALA A 16 8.700 9.633 -22.707 1.00 0.00 H new ATOM 0 HA ALA A 16 9.182 11.776 -24.487 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.234 10.800 -25.697 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.374 9.537 -25.173 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.861 9.801 -24.272 1.00 0.00 H new ATOM 258 N THR A 17 6.865 12.259 -22.284 1.00 0.00 N ATOM 259 CA THR A 17 5.907 13.232 -21.771 1.00 0.00 C ATOM 260 C THR A 17 6.584 14.575 -21.519 1.00 0.00 C ATOM 261 O THR A 17 6.017 15.630 -21.803 1.00 0.00 O ATOM 262 CB THR A 17 5.287 12.718 -20.469 1.00 0.00 C ATOM 263 OG1 THR A 17 4.603 11.499 -20.722 1.00 0.00 O ATOM 264 CG2 THR A 17 4.302 13.755 -19.926 1.00 0.00 C ATOM 0 H THR A 17 7.094 11.505 -21.637 1.00 0.00 H new ATOM 0 HA THR A 17 5.125 13.369 -22.518 1.00 0.00 H new ATOM 0 HB THR A 17 6.073 12.548 -19.734 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.207 11.167 -19.889 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.861 13.388 -18.999 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.828 14.690 -19.732 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.514 13.927 -20.659 1.00 0.00 H new ATOM 272 N CYS A 18 7.799 14.529 -20.983 1.00 0.00 N ATOM 273 CA CYS A 18 8.543 15.750 -20.696 1.00 0.00 C ATOM 274 C CYS A 18 8.784 16.544 -21.976 1.00 0.00 C ATOM 275 O CYS A 18 8.583 17.758 -22.012 1.00 0.00 O ATOM 276 CB CYS A 18 9.883 15.402 -20.047 1.00 0.00 C ATOM 277 SG CYS A 18 10.655 16.909 -19.407 1.00 0.00 S ATOM 0 H CYS A 18 8.286 13.667 -20.740 1.00 0.00 H new ATOM 0 HA CYS A 18 7.955 16.360 -20.010 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.732 14.687 -19.239 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.539 14.926 -20.776 1.00 0.00 H new ATOM 282 N ALA A 19 9.217 15.851 -23.023 1.00 0.00 N ATOM 283 CA ALA A 19 9.482 16.502 -24.301 1.00 0.00 C ATOM 284 C ALA A 19 8.188 17.014 -24.927 1.00 0.00 C ATOM 285 O ALA A 19 8.194 17.989 -25.675 1.00 0.00 O ATOM 286 CB ALA A 19 10.158 15.517 -25.258 1.00 0.00 C ATOM 0 H ALA A 19 9.391 14.846 -23.013 1.00 0.00 H new ATOM 0 HA ALA A 19 10.143 17.350 -24.122 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.353 16.010 -26.210 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.099 15.178 -24.826 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.504 14.660 -25.420 1.00 0.00 H new ATOM 292 N THR A 20 7.084 16.341 -24.634 1.00 0.00 N ATOM 293 CA THR A 20 5.793 16.733 -25.190 1.00 0.00 C ATOM 294 C THR A 20 5.398 18.144 -24.754 1.00 0.00 C ATOM 295 O THR A 20 4.881 18.923 -25.555 1.00 0.00 O ATOM 296 CB THR A 20 4.715 15.742 -24.744 1.00 0.00 C ATOM 297 OG1 THR A 20 5.047 14.442 -25.209 1.00 0.00 O ATOM 298 CG2 THR A 20 3.362 16.163 -25.322 1.00 0.00 C ATOM 0 H THR A 20 7.054 15.527 -24.020 1.00 0.00 H new ATOM 0 HA THR A 20 5.881 16.725 -26.276 1.00 0.00 H new ATOM 0 HB THR A 20 4.656 15.734 -23.656 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.598 13.986 -24.539 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.595 15.457 -25.004 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.108 17.161 -24.964 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.418 16.172 -26.411 1.00 0.00 H new ATOM 306 N GLN A 21 5.622 18.464 -23.482 1.00 0.00 N ATOM 307 CA GLN A 21 5.255 19.781 -22.966 1.00 0.00 C ATOM 308 C GLN A 21 6.220 20.869 -23.446 1.00 0.00 C ATOM 309 O GLN A 21 5.815 22.014 -23.649 1.00 0.00 O ATOM 310 CB GLN A 21 5.211 19.751 -21.432 1.00 0.00 C ATOM 311 CG GLN A 21 6.574 20.141 -20.855 1.00 0.00 C ATOM 312 CD GLN A 21 6.623 19.806 -19.369 1.00 0.00 C ATOM 313 OE1 GLN A 21 6.066 18.795 -18.940 1.00 0.00 O ATOM 314 NE2 GLN A 21 7.261 20.599 -18.551 1.00 0.00 N ATOM 0 H GLN A 21 6.050 17.840 -22.798 1.00 0.00 H new ATOM 0 HA GLN A 21 4.265 20.025 -23.352 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.445 20.437 -21.070 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.935 18.754 -21.089 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.367 19.611 -21.383 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.750 21.207 -21.003 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.722 21.436 -18.908 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.299 20.381 -17.555 1.00 0.00 H new ATOM 323 N ARG A 22 7.491 20.518 -23.628 1.00 0.00 N ATOM 324 CA ARG A 22 8.475 21.498 -24.082 1.00 0.00 C ATOM 325 C ARG A 22 8.446 21.633 -25.603 1.00 0.00 C ATOM 326 O ARG A 22 8.837 22.664 -26.150 1.00 0.00 O ATOM 327 CB ARG A 22 9.881 21.108 -23.600 1.00 0.00 C ATOM 328 CG ARG A 22 10.518 20.090 -24.553 1.00 0.00 C ATOM 329 CD ARG A 22 11.374 20.815 -25.594 1.00 0.00 C ATOM 330 NE ARG A 22 12.789 20.536 -25.367 1.00 0.00 N ATOM 331 CZ ARG A 22 13.350 19.389 -25.756 1.00 0.00 C ATOM 332 NH1 ARG A 22 12.644 18.469 -26.363 1.00 0.00 N ATOM 333 NH2 ARG A 22 14.618 19.182 -25.526 1.00 0.00 N ATOM 0 H ARG A 22 7.859 19.580 -23.472 1.00 0.00 H new ATOM 0 HA ARG A 22 8.217 22.466 -23.652 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.509 21.997 -23.537 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.823 20.687 -22.596 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.132 19.387 -23.990 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.741 19.508 -25.050 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.089 20.495 -26.596 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.194 21.889 -25.539 1.00 0.00 H new ATOM 0 HE ARG A 22 13.364 21.236 -24.899 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.652 18.624 -26.544 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.086 17.597 -26.655 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.173 19.894 -25.052 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.054 18.308 -25.820 1.00 0.00 H new ATOM 347 N LEU A 23 7.980 20.588 -26.280 1.00 0.00 N ATOM 348 CA LEU A 23 7.903 20.604 -27.737 1.00 0.00 C ATOM 349 C LEU A 23 6.697 21.416 -28.196 1.00 0.00 C ATOM 350 O LEU A 23 6.776 22.170 -29.166 1.00 0.00 O ATOM 351 CB LEU A 23 7.799 19.172 -28.274 1.00 0.00 C ATOM 352 CG LEU A 23 7.896 19.176 -29.804 1.00 0.00 C ATOM 353 CD1 LEU A 23 9.362 19.299 -30.229 1.00 0.00 C ATOM 354 CD2 LEU A 23 7.317 17.869 -30.353 1.00 0.00 C ATOM 0 H LEU A 23 7.652 19.725 -25.847 1.00 0.00 H new ATOM 0 HA LEU A 23 8.809 21.068 -28.127 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.595 18.558 -27.853 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.854 18.726 -27.963 1.00 0.00 H new ATOM 0 HG LEU A 23 7.333 20.022 -30.199 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.426 19.301 -31.317 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.777 20.228 -29.839 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.927 18.455 -29.834 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.385 17.870 -31.441 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.881 17.026 -29.955 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.272 17.780 -30.055 1.00 0.00 H new ATOM 366 N ALA A 24 5.578 21.254 -27.495 1.00 0.00 N ATOM 367 CA ALA A 24 4.360 21.974 -27.846 1.00 0.00 C ATOM 368 C ALA A 24 4.584 23.482 -27.780 1.00 0.00 C ATOM 369 O ALA A 24 4.181 24.216 -28.682 1.00 0.00 O ATOM 370 CB ALA A 24 3.230 21.583 -26.892 1.00 0.00 C ATOM 0 H ALA A 24 5.490 20.636 -26.688 1.00 0.00 H new ATOM 0 HA ALA A 24 4.086 21.706 -28.866 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.323 22.125 -27.161 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.047 20.511 -26.965 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.514 21.834 -25.870 1.00 0.00 H new ATOM 376 N ASN A 25 5.224 23.941 -26.709 1.00 0.00 N ATOM 377 CA ASN A 25 5.486 25.367 -26.547 1.00 0.00 C ATOM 378 C ASN A 25 6.415 25.871 -27.647 1.00 0.00 C ATOM 379 O ASN A 25 6.214 26.955 -28.195 1.00 0.00 O ATOM 380 CB ASN A 25 6.124 25.629 -25.182 1.00 0.00 C ATOM 381 CG ASN A 25 5.080 25.484 -24.080 1.00 0.00 C ATOM 382 OD1 ASN A 25 3.889 25.358 -24.364 1.00 0.00 O ATOM 383 ND2 ASN A 25 5.458 25.497 -22.831 1.00 0.00 N ATOM 0 H ASN A 25 5.567 23.354 -25.949 1.00 0.00 H new ATOM 0 HA ASN A 25 4.538 25.900 -26.615 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.942 24.928 -25.014 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.553 26.631 -25.158 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.766 25.403 -22.088 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.446 25.602 -22.598 1.00 0.00 H new ATOM 390 N PHE A 26 7.434 25.078 -27.961 1.00 0.00 N ATOM 391 CA PHE A 26 8.394 25.453 -28.993 1.00 0.00 C ATOM 392 C PHE A 26 7.758 25.373 -30.377 1.00 0.00 C ATOM 393 O PHE A 26 8.154 26.091 -31.294 1.00 0.00 O ATOM 394 CB PHE A 26 9.613 24.530 -28.934 1.00 0.00 C ATOM 395 CG PHE A 26 10.640 24.990 -29.940 1.00 0.00 C ATOM 396 CD1 PHE A 26 11.486 26.063 -29.635 1.00 0.00 C ATOM 397 CD2 PHE A 26 10.746 24.344 -31.178 1.00 0.00 C ATOM 398 CE1 PHE A 26 12.438 26.490 -30.568 1.00 0.00 C ATOM 399 CE2 PHE A 26 11.699 24.772 -32.111 1.00 0.00 C ATOM 400 CZ PHE A 26 12.545 25.845 -31.806 1.00 0.00 C ATOM 0 H PHE A 26 7.616 24.177 -27.519 1.00 0.00 H new ATOM 0 HA PHE A 26 8.708 26.481 -28.811 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.041 24.538 -27.932 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.316 23.503 -29.145 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.404 26.561 -28.680 1.00 0.00 H new ATOM 0 HD2 PHE A 26 10.093 23.516 -31.413 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.091 27.318 -30.333 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.781 24.274 -33.066 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.280 26.175 -32.525 1.00 0.00 H new ATOM 410 N LEU A 27 6.774 24.492 -30.522 1.00 0.00 N ATOM 411 CA LEU A 27 6.096 24.324 -31.802 1.00 0.00 C ATOM 412 C LEU A 27 5.437 25.637 -32.223 1.00 0.00 C ATOM 413 O LEU A 27 5.778 26.214 -33.256 1.00 0.00 O ATOM 414 CB LEU A 27 5.040 23.208 -31.666 1.00 0.00 C ATOM 415 CG LEU A 27 4.204 23.022 -32.953 1.00 0.00 C ATOM 416 CD1 LEU A 27 2.995 23.972 -32.953 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.060 23.267 -34.204 1.00 0.00 C ATOM 0 H LEU A 27 6.430 23.888 -29.776 1.00 0.00 H new ATOM 0 HA LEU A 27 6.819 24.045 -32.569 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.538 22.270 -31.421 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.374 23.442 -30.835 1.00 0.00 H new ATOM 0 HG LEU A 27 3.846 21.993 -32.973 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.418 23.827 -33.866 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.365 23.760 -32.089 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.343 25.004 -32.904 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.449 23.130 -35.096 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.450 24.285 -34.184 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.890 22.561 -34.221 1.00 0.00 H new ATOM 429 N VAL A 28 4.490 26.103 -31.413 1.00 0.00 N ATOM 430 CA VAL A 28 3.780 27.344 -31.709 1.00 0.00 C ATOM 431 C VAL A 28 4.706 28.555 -31.601 1.00 0.00 C ATOM 432 O VAL A 28 4.399 29.629 -32.119 1.00 0.00 O ATOM 433 CB VAL A 28 2.612 27.514 -30.735 1.00 0.00 C ATOM 434 CG1 VAL A 28 1.690 26.296 -30.820 1.00 0.00 C ATOM 435 CG2 VAL A 28 3.150 27.648 -29.308 1.00 0.00 C ATOM 0 H VAL A 28 4.198 25.643 -30.551 1.00 0.00 H new ATOM 0 HA VAL A 28 3.410 27.284 -32.733 1.00 0.00 H new ATOM 0 HB VAL A 28 2.052 28.411 -30.998 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.859 26.419 -30.125 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.304 26.202 -31.835 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.249 25.397 -30.560 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.317 27.769 -28.615 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.713 26.752 -29.046 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.803 28.518 -29.246 1.00 0.00 H new ATOM 445 N HIS A 29 5.833 28.380 -30.915 1.00 0.00 N ATOM 446 CA HIS A 29 6.784 29.470 -30.733 1.00 0.00 C ATOM 447 C HIS A 29 7.790 29.519 -31.879 1.00 0.00 C ATOM 448 O HIS A 29 8.415 30.551 -32.122 1.00 0.00 O ATOM 449 CB HIS A 29 7.526 29.294 -29.407 1.00 0.00 C ATOM 450 CG HIS A 29 8.351 30.520 -29.124 1.00 0.00 C ATOM 451 ND1 HIS A 29 7.778 31.767 -28.928 1.00 0.00 N ATOM 452 CD2 HIS A 29 9.705 30.706 -29.001 1.00 0.00 C ATOM 453 CE1 HIS A 29 8.776 32.640 -28.699 1.00 0.00 C ATOM 454 NE2 HIS A 29 9.971 32.045 -28.732 1.00 0.00 N ATOM 0 H HIS A 29 6.108 27.500 -30.479 1.00 0.00 H new ATOM 0 HA HIS A 29 6.228 30.408 -30.723 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.813 29.128 -28.599 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.168 28.414 -29.452 1.00 0.00 H new ATOM 0 HD2 HIS A 29 10.451 29.931 -29.098 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.629 33.693 -28.511 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.883 32.479 -28.590 1.00 0.00 H new ATOM 463 N SER A 30 7.949 28.399 -32.576 1.00 0.00 N ATOM 464 CA SER A 30 8.888 28.321 -33.689 1.00 0.00 C ATOM 465 C SER A 30 8.152 28.215 -35.023 1.00 0.00 C ATOM 466 O SER A 30 8.733 27.798 -36.023 1.00 0.00 O ATOM 467 CB SER A 30 9.788 27.098 -33.516 1.00 0.00 C ATOM 468 OG SER A 30 10.737 27.060 -34.573 1.00 0.00 O ATOM 0 H SER A 30 7.441 27.534 -32.390 1.00 0.00 H new ATOM 0 HA SER A 30 9.487 29.232 -33.692 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.299 27.142 -32.554 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.188 26.188 -33.517 1.00 0.00 H new ATOM 0 HG SER A 30 10.278 27.187 -35.429 1.00 0.00 H new ATOM 474 N SER A 31 6.876 28.589 -35.038 1.00 0.00 N ATOM 475 CA SER A 31 6.094 28.523 -36.268 1.00 0.00 C ATOM 476 C SER A 31 6.677 29.463 -37.321 1.00 0.00 C ATOM 477 O SER A 31 6.946 29.060 -38.453 1.00 0.00 O ATOM 478 CB SER A 31 4.643 28.911 -35.983 1.00 0.00 C ATOM 479 OG SER A 31 3.902 28.879 -37.196 1.00 0.00 O ATOM 0 H SER A 31 6.367 28.936 -34.225 1.00 0.00 H new ATOM 0 HA SER A 31 6.129 27.502 -36.648 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.206 28.224 -35.258 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.600 29.908 -35.543 1.00 0.00 H new ATOM 0 HG SER A 31 2.971 29.126 -37.017 1.00 0.00 H new ATOM 485 N ASN A 32 6.860 30.720 -36.931 1.00 0.00 N ATOM 486 CA ASN A 32 7.404 31.728 -37.837 1.00 0.00 C ATOM 487 C ASN A 32 8.731 31.265 -38.430 1.00 0.00 C ATOM 488 O ASN A 32 8.882 31.181 -39.649 1.00 0.00 O ATOM 489 CB ASN A 32 7.608 33.048 -37.090 1.00 0.00 C ATOM 490 CG ASN A 32 8.136 32.779 -35.685 1.00 0.00 C ATOM 491 OD1 ASN A 32 7.412 32.255 -34.838 1.00 0.00 O ATOM 492 ND2 ASN A 32 9.362 33.110 -35.384 1.00 0.00 N ATOM 0 H ASN A 32 6.641 31.066 -35.997 1.00 0.00 H new ATOM 0 HA ASN A 32 6.692 31.876 -38.649 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.309 33.679 -37.636 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.666 33.593 -37.035 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.722 32.935 -34.446 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.960 33.544 -36.087 1.00 0.00 H new ATOM 499 N ASN A 33 9.689 30.968 -37.561 1.00 0.00 N ATOM 500 CA ASN A 33 11.002 30.516 -38.011 1.00 0.00 C ATOM 501 C ASN A 33 10.877 29.245 -38.845 1.00 0.00 C ATOM 502 O ASN A 33 11.543 29.098 -39.870 1.00 0.00 O ATOM 503 CB ASN A 33 11.909 30.255 -36.807 1.00 0.00 C ATOM 504 CG ASN A 33 12.288 31.575 -36.142 1.00 0.00 C ATOM 505 OD1 ASN A 33 11.872 31.845 -35.016 1.00 0.00 O ATOM 506 ND2 ASN A 33 13.057 32.417 -36.777 1.00 0.00 N ATOM 0 H ASN A 33 9.584 31.031 -36.548 1.00 0.00 H new ATOM 0 HA ASN A 33 11.440 31.299 -38.630 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.399 29.611 -36.091 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.808 29.728 -37.126 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.315 33.302 -36.340 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.400 32.190 -37.710 1.00 0.00 H new ATOM 513 N PHE A 34 10.027 28.327 -38.401 1.00 0.00 N ATOM 514 CA PHE A 34 9.830 27.069 -39.113 1.00 0.00 C ATOM 515 C PHE A 34 9.503 27.313 -40.583 1.00 0.00 C ATOM 516 O PHE A 34 9.999 26.609 -41.462 1.00 0.00 O ATOM 517 CB PHE A 34 8.688 26.283 -38.466 1.00 0.00 C ATOM 518 CG PHE A 34 8.419 25.034 -39.270 1.00 0.00 C ATOM 519 CD1 PHE A 34 9.340 23.979 -39.253 1.00 0.00 C ATOM 520 CD2 PHE A 34 7.249 24.929 -40.033 1.00 0.00 C ATOM 521 CE1 PHE A 34 9.091 22.820 -39.998 1.00 0.00 C ATOM 522 CE2 PHE A 34 7.000 23.770 -40.778 1.00 0.00 C ATOM 523 CZ PHE A 34 7.921 22.716 -40.760 1.00 0.00 C ATOM 0 H PHE A 34 9.465 28.428 -37.556 1.00 0.00 H new ATOM 0 HA PHE A 34 10.757 26.498 -39.054 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.948 26.020 -37.441 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.790 26.898 -38.419 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.242 24.059 -38.665 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.539 25.742 -40.047 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.801 22.006 -39.985 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.098 23.689 -41.366 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.729 21.822 -41.334 1.00 0.00 H new ATOM 533 N GLY A 35 8.658 28.305 -40.842 1.00 0.00 N ATOM 534 CA GLY A 35 8.267 28.618 -42.212 1.00 0.00 C ATOM 535 C GLY A 35 9.474 29.034 -43.047 1.00 0.00 C ATOM 536 O GLY A 35 9.597 28.656 -44.211 1.00 0.00 O ATOM 0 H GLY A 35 8.235 28.900 -40.130 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.790 27.749 -42.665 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.529 29.421 -42.208 1.00 0.00 H new ATOM 540 N ALA A 36 10.356 29.822 -42.443 1.00 0.00 N ATOM 541 CA ALA A 36 11.547 30.294 -43.141 1.00 0.00 C ATOM 542 C ALA A 36 12.389 29.116 -43.624 1.00 0.00 C ATOM 543 O ALA A 36 12.893 29.122 -44.746 1.00 0.00 O ATOM 544 CB ALA A 36 12.384 31.178 -42.215 1.00 0.00 C ATOM 0 H ALA A 36 10.271 30.146 -41.479 1.00 0.00 H new ATOM 0 HA ALA A 36 11.229 30.877 -44.005 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.270 31.525 -42.746 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.792 32.037 -41.898 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.687 30.604 -41.340 1.00 0.00 H new ATOM 550 N ILE A 37 12.533 28.106 -42.773 1.00 0.00 N ATOM 551 CA ILE A 37 13.312 26.926 -43.133 1.00 0.00 C ATOM 552 C ILE A 37 12.583 26.105 -44.193 1.00 0.00 C ATOM 553 O ILE A 37 13.185 25.674 -45.176 1.00 0.00 O ATOM 554 CB ILE A 37 13.569 26.065 -41.895 1.00 0.00 C ATOM 555 CG1 ILE A 37 14.556 26.782 -40.970 1.00 0.00 C ATOM 556 CG2 ILE A 37 14.159 24.720 -42.323 1.00 0.00 C ATOM 557 CD1 ILE A 37 14.588 26.078 -39.612 1.00 0.00 C ATOM 0 H ILE A 37 12.125 28.079 -41.838 1.00 0.00 H new ATOM 0 HA ILE A 37 14.267 27.257 -43.542 1.00 0.00 H new ATOM 0 HB ILE A 37 12.630 25.899 -41.367 1.00 0.00 H new ATOM 0 HG12 ILE A 37 15.551 26.783 -41.414 1.00 0.00 H new ATOM 0 HG13 ILE A 37 14.262 27.824 -40.844 1.00 0.00 H new ATOM 0 HG21 ILE A 37 14.342 24.106 -41.441 1.00 0.00 H new ATOM 0 HG22 ILE A 37 13.458 24.208 -42.982 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.098 24.886 -42.851 1.00 0.00 H new ATOM 0 HD11 ILE A 37 15.291 26.589 -38.954 1.00 0.00 H new ATOM 0 HD12 ILE A 37 13.593 26.100 -39.167 1.00 0.00 H new ATOM 0 HD13 ILE A 37 14.903 25.043 -39.746 1.00 0.00 H new ATOM 569 N LEU A 38 11.286 25.890 -43.991 1.00 0.00 N ATOM 570 CA LEU A 38 10.497 25.117 -44.944 1.00 0.00 C ATOM 571 C LEU A 38 10.615 25.720 -46.340 1.00 0.00 C ATOM 572 O LEU A 38 10.907 25.020 -47.309 1.00 0.00 O ATOM 573 CB LEU A 38 9.026 25.105 -44.510 1.00 0.00 C ATOM 574 CG LEU A 38 8.191 24.289 -45.503 1.00 0.00 C ATOM 575 CD1 LEU A 38 8.643 22.828 -45.482 1.00 0.00 C ATOM 576 CD2 LEU A 38 6.715 24.367 -45.107 1.00 0.00 C ATOM 0 H LEU A 38 10.764 26.236 -43.186 1.00 0.00 H new ATOM 0 HA LEU A 38 10.877 24.095 -44.967 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.937 24.678 -43.511 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.646 26.125 -44.456 1.00 0.00 H new ATOM 0 HG LEU A 38 8.326 24.694 -46.506 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.046 22.252 -46.190 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.695 22.769 -45.762 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.510 22.420 -44.480 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.118 23.788 -45.811 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.586 23.962 -44.103 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.388 25.407 -45.124 1.00 0.00 H new ATOM 588 N SER A 39 10.381 27.024 -46.431 1.00 0.00 N ATOM 589 CA SER A 39 10.458 27.719 -47.711 1.00 0.00 C ATOM 590 C SER A 39 11.832 27.526 -48.345 1.00 0.00 C ATOM 591 O SER A 39 11.953 27.416 -49.565 1.00 0.00 O ATOM 592 CB SER A 39 10.191 29.211 -47.513 1.00 0.00 C ATOM 593 OG SER A 39 8.841 29.397 -47.109 1.00 0.00 O ATOM 0 H SER A 39 10.138 27.619 -45.639 1.00 0.00 H new ATOM 0 HA SER A 39 9.702 27.300 -48.375 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.867 29.616 -46.760 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.383 29.753 -48.439 1.00 0.00 H new ATOM 0 HG SER A 39 8.759 29.216 -46.149 1.00 0.00 H new ATOM 599 N SER A 40 12.865 27.490 -47.510 1.00 0.00 N ATOM 600 CA SER A 40 14.228 27.313 -48.000 1.00 0.00 C ATOM 601 C SER A 40 14.600 25.834 -48.049 1.00 0.00 C ATOM 602 O SER A 40 15.744 25.464 -47.784 1.00 0.00 O ATOM 603 CB SER A 40 15.209 28.055 -47.092 1.00 0.00 C ATOM 604 OG SER A 40 14.971 29.453 -47.188 1.00 0.00 O ATOM 0 H SER A 40 12.786 27.580 -46.497 1.00 0.00 H new ATOM 0 HA SER A 40 14.283 27.721 -49.009 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.089 27.724 -46.060 1.00 0.00 H new ATOM 0 HB3 SER A 40 16.235 27.828 -47.383 1.00 0.00 H new ATOM 0 HG SER A 40 14.300 29.717 -46.524 1.00 0.00 H new ATOM 610 N THR A 41 13.627 24.992 -48.387 1.00 0.00 N ATOM 611 CA THR A 41 13.868 23.554 -48.466 1.00 0.00 C ATOM 612 C THR A 41 14.430 23.171 -49.834 1.00 0.00 C ATOM 613 O THR A 41 13.962 22.224 -50.466 1.00 0.00 O ATOM 614 CB THR A 41 12.563 22.788 -48.205 1.00 0.00 C ATOM 615 OG1 THR A 41 12.832 21.394 -48.198 1.00 0.00 O ATOM 616 CG2 THR A 41 11.530 23.101 -49.297 1.00 0.00 C ATOM 0 H THR A 41 12.673 25.277 -48.609 1.00 0.00 H new ATOM 0 HA THR A 41 14.601 23.287 -47.705 1.00 0.00 H new ATOM 0 HB THR A 41 12.159 23.095 -47.240 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.147 21.117 -49.084 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.611 22.550 -49.097 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.318 24.170 -49.302 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.926 22.805 -50.268 1.00 0.00 H new ATOM 624 N ASN A 42 15.440 23.910 -50.284 1.00 0.00 N ATOM 625 CA ASN A 42 16.056 23.634 -51.577 1.00 0.00 C ATOM 626 C ASN A 42 17.248 22.695 -51.417 1.00 0.00 C ATOM 627 O ASN A 42 18.145 22.667 -52.259 1.00 0.00 O ATOM 628 CB ASN A 42 16.519 24.940 -52.225 1.00 0.00 C ATOM 629 CG ASN A 42 17.579 25.607 -51.354 1.00 0.00 C ATOM 630 OD1 ASN A 42 17.317 25.936 -50.197 1.00 0.00 O ATOM 631 ND2 ASN A 42 18.769 25.826 -51.844 1.00 0.00 N ATOM 0 H ASN A 42 15.846 24.697 -49.778 1.00 0.00 H new ATOM 0 HA ASN A 42 15.313 23.154 -52.214 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.925 24.740 -53.217 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.670 25.611 -52.357 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.484 26.270 -51.268 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.984 25.553 -52.803 1.00 0.00 H new ATOM 638 N VAL A 43 17.250 21.926 -50.331 1.00 0.00 N ATOM 639 CA VAL A 43 18.338 20.988 -50.073 1.00 0.00 C ATOM 640 C VAL A 43 18.060 19.634 -50.730 1.00 0.00 C ATOM 641 O VAL A 43 18.675 18.627 -50.378 1.00 0.00 O ATOM 642 CB VAL A 43 18.514 20.806 -48.562 1.00 0.00 C ATOM 643 CG1 VAL A 43 17.445 19.848 -48.026 1.00 0.00 C ATOM 644 CG2 VAL A 43 19.907 20.235 -48.272 1.00 0.00 C ATOM 0 H VAL A 43 16.517 21.933 -49.621 1.00 0.00 H new ATOM 0 HA VAL A 43 19.254 21.395 -50.502 1.00 0.00 H new ATOM 0 HB VAL A 43 18.408 21.773 -48.070 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.575 19.722 -46.951 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.455 20.258 -48.226 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.543 18.881 -48.519 1.00 0.00 H new ATOM 0 HG21 VAL A 43 20.031 20.106 -47.197 1.00 0.00 H new ATOM 0 HG22 VAL A 43 20.015 19.270 -48.768 1.00 0.00 H new ATOM 0 HG23 VAL A 43 20.667 20.922 -48.645 1.00 0.00 H new ATOM 654 N GLY A 44 17.136 19.613 -51.688 1.00 0.00 N ATOM 655 CA GLY A 44 16.795 18.376 -52.380 1.00 0.00 C ATOM 656 C GLY A 44 15.878 17.494 -51.531 1.00 0.00 C ATOM 657 O GLY A 44 15.781 16.289 -51.762 1.00 0.00 O ATOM 0 H GLY A 44 16.615 20.432 -52.000 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.304 18.610 -53.325 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.707 17.829 -52.621 1.00 0.00 H new ATOM 661 N SER A 45 15.205 18.097 -50.552 1.00 0.00 N ATOM 662 CA SER A 45 14.301 17.347 -49.686 1.00 0.00 C ATOM 663 C SER A 45 12.851 17.711 -49.990 1.00 0.00 C ATOM 664 O SER A 45 11.996 17.689 -49.105 1.00 0.00 O ATOM 665 CB SER A 45 14.610 17.648 -48.220 1.00 0.00 C ATOM 666 OG SER A 45 14.467 19.043 -47.985 1.00 0.00 O ATOM 0 H SER A 45 15.268 19.093 -50.341 1.00 0.00 H new ATOM 0 HA SER A 45 14.445 16.283 -49.873 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.936 17.088 -47.572 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.624 17.329 -47.977 1.00 0.00 H new ATOM 0 HG SER A 45 14.663 19.238 -47.045 1.00 0.00 H new ATOM 672 N ASN A 46 12.585 18.047 -51.248 1.00 0.00 N ATOM 673 CA ASN A 46 11.237 18.418 -51.662 1.00 0.00 C ATOM 674 C ASN A 46 10.507 17.215 -52.253 1.00 0.00 C ATOM 675 O ASN A 46 9.610 17.368 -53.082 1.00 0.00 O ATOM 676 CB ASN A 46 11.300 19.539 -52.700 1.00 0.00 C ATOM 677 CG ASN A 46 11.999 19.043 -53.962 1.00 0.00 C ATOM 678 OD1 ASN A 46 13.067 18.437 -53.884 1.00 0.00 O ATOM 679 ND2 ASN A 46 11.455 19.265 -55.127 1.00 0.00 N ATOM 0 H ASN A 46 13.280 18.070 -51.994 1.00 0.00 H new ATOM 0 HA ASN A 46 10.691 18.765 -50.785 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.293 19.879 -52.942 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.836 20.395 -52.290 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.915 18.936 -55.976 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.570 19.768 -55.189 1.00 0.00 H new ATOM 686 N THR A 47 10.897 16.020 -51.820 1.00 0.00 N ATOM 687 CA THR A 47 10.272 14.798 -52.314 1.00 0.00 C ATOM 688 C THR A 47 8.830 14.694 -51.825 1.00 0.00 C ATOM 689 O THR A 47 8.050 13.886 -52.329 1.00 0.00 O ATOM 690 CB THR A 47 11.064 13.578 -51.837 1.00 0.00 C ATOM 691 OG1 THR A 47 12.455 13.857 -51.919 1.00 0.00 O ATOM 692 CG2 THR A 47 10.730 12.373 -52.719 1.00 0.00 C ATOM 0 H THR A 47 11.637 15.872 -51.134 1.00 0.00 H new ATOM 0 HA THR A 47 10.271 14.829 -53.404 1.00 0.00 H new ATOM 0 HB THR A 47 10.798 13.353 -50.804 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.964 13.077 -51.612 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.295 11.505 -52.378 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.663 12.160 -52.655 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.994 12.595 -53.753 1.00 0.00 H new ATOM 700 N TYR A 48 8.481 15.518 -50.841 1.00 0.00 N ATOM 701 CA TYR A 48 7.130 15.511 -50.292 1.00 0.00 C ATOM 702 C TYR A 48 6.238 16.495 -51.046 1.00 0.00 C ATOM 703 O TYR A 48 5.204 16.925 -50.535 1.00 0.00 O ATOM 704 CB TYR A 48 7.168 15.885 -48.809 1.00 0.00 C ATOM 705 CG TYR A 48 7.681 17.298 -48.657 1.00 0.00 C ATOM 706 CD1 TYR A 48 6.789 18.377 -48.710 1.00 0.00 C ATOM 707 CD2 TYR A 48 9.048 17.529 -48.462 1.00 0.00 C ATOM 708 CE1 TYR A 48 7.265 19.686 -48.570 1.00 0.00 C ATOM 709 CE2 TYR A 48 9.523 18.839 -48.322 1.00 0.00 C ATOM 710 CZ TYR A 48 8.632 19.917 -48.376 1.00 0.00 C ATOM 711 OH TYR A 48 9.101 21.207 -48.237 1.00 0.00 O ATOM 0 H TYR A 48 9.111 16.195 -50.410 1.00 0.00 H new ATOM 0 HA TYR A 48 6.718 14.508 -50.403 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.171 15.801 -48.376 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.811 15.193 -48.265 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.734 18.199 -48.859 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.736 16.697 -48.420 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.577 20.518 -48.612 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.578 19.018 -48.172 1.00 0.00 H new ATOM 0 HH TYR A 48 9.672 21.264 -47.443 1.00 0.00 H new ATOM 721 N GLY A 49 6.643 16.846 -52.262 1.00 0.00 N ATOM 722 CA GLY A 49 5.871 17.781 -53.072 1.00 0.00 C ATOM 723 C GLY A 49 4.400 17.382 -53.115 1.00 0.00 C ATOM 724 O GLY A 49 4.067 16.197 -53.122 1.00 0.00 O ATOM 0 H GLY A 49 7.494 16.501 -52.705 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.967 18.787 -52.663 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.274 17.809 -54.085 1.00 0.00 H new ATOM 728 N LYS A 50 3.524 18.381 -53.144 1.00 0.00 N ATOM 729 CA LYS A 50 2.088 18.127 -53.185 1.00 0.00 C ATOM 730 C LYS A 50 1.714 17.377 -54.460 1.00 0.00 C ATOM 731 O LYS A 50 0.857 16.494 -54.442 1.00 0.00 O ATOM 732 CB LYS A 50 1.322 19.449 -53.124 1.00 0.00 C ATOM 733 CG LYS A 50 1.465 20.058 -51.727 1.00 0.00 C ATOM 734 CD LYS A 50 0.528 21.260 -51.592 1.00 0.00 C ATOM 735 CE LYS A 50 1.043 22.411 -52.458 1.00 0.00 C ATOM 736 NZ LYS A 50 2.413 22.793 -52.014 1.00 0.00 N ATOM 0 H LYS A 50 3.781 19.368 -53.140 1.00 0.00 H new ATOM 0 HA LYS A 50 1.821 17.514 -52.324 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.707 20.139 -53.874 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.270 19.283 -53.354 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.228 19.312 -50.968 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.496 20.367 -51.558 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.481 20.984 -51.899 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.470 21.573 -50.550 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.059 22.112 -53.506 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.372 23.267 -52.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.509 23.828 -52.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.572 22.451 -51.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.116 22.367 -52.651 1.00 0.00 H new ATOM 750 N ARG A 51 2.362 17.736 -55.563 1.00 0.00 N ATOM 751 CA ARG A 51 2.089 17.090 -56.842 1.00 0.00 C ATOM 752 C ARG A 51 2.426 15.599 -56.790 1.00 0.00 C ATOM 753 O ARG A 51 2.027 14.837 -57.670 1.00 0.00 O ATOM 754 CB ARG A 51 2.905 17.760 -57.950 1.00 0.00 C ATOM 755 CG ARG A 51 4.381 17.382 -57.805 1.00 0.00 C ATOM 756 CD ARG A 51 5.219 18.219 -58.772 1.00 0.00 C ATOM 757 NE ARG A 51 6.621 17.816 -58.706 1.00 0.00 N ATOM 758 CZ ARG A 51 7.429 18.238 -57.731 1.00 0.00 C ATOM 759 NH1 ARG A 51 6.987 19.032 -56.789 1.00 0.00 N ATOM 760 NH2 ARG A 51 8.676 17.854 -57.717 1.00 0.00 N ATOM 0 H ARG A 51 3.075 18.465 -55.598 1.00 0.00 H new ATOM 0 HA ARG A 51 1.025 17.197 -57.053 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.534 17.449 -58.927 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.790 18.843 -57.896 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.712 17.551 -56.780 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.518 16.321 -58.013 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.845 18.096 -59.789 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.125 19.276 -58.524 1.00 0.00 H new ATOM 0 HE ARG A 51 6.993 17.195 -59.425 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.013 19.336 -56.794 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.616 19.346 -56.050 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.027 17.235 -58.448 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.299 18.172 -56.975 1.00 0.00 H new ATOM 774 N ASN A 52 3.159 15.185 -55.759 1.00 0.00 N ATOM 775 CA ASN A 52 3.530 13.782 -55.619 1.00 0.00 C ATOM 776 C ASN A 52 2.367 12.975 -55.051 1.00 0.00 C ATOM 777 O ASN A 52 2.204 11.797 -55.370 1.00 0.00 O ATOM 778 CB ASN A 52 4.747 13.649 -54.701 1.00 0.00 C ATOM 779 CG ASN A 52 5.622 12.488 -55.160 1.00 0.00 C ATOM 780 OD1 ASN A 52 6.846 12.550 -55.049 1.00 0.00 O ATOM 781 ND2 ASN A 52 5.063 11.425 -55.672 1.00 0.00 N ATOM 0 H ASN A 52 3.504 15.794 -55.017 1.00 0.00 H new ATOM 0 HA ASN A 52 3.780 13.392 -56.606 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.323 14.575 -54.710 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.422 13.486 -53.674 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.641 10.643 -55.981 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.048 11.376 -55.763 1.00 0.00 H new ATOM 788 N ALA A 53 1.562 13.613 -54.207 1.00 0.00 N ATOM 789 CA ALA A 53 0.417 12.941 -53.601 1.00 0.00 C ATOM 790 C ALA A 53 -0.540 12.428 -54.673 1.00 0.00 C ATOM 791 O ALA A 53 -1.021 11.297 -54.597 1.00 0.00 O ATOM 792 CB ALA A 53 -0.325 13.911 -52.680 1.00 0.00 C ATOM 0 H ALA A 53 1.680 14.587 -53.928 1.00 0.00 H new ATOM 0 HA ALA A 53 0.784 12.092 -53.024 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.179 13.404 -52.230 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.348 14.254 -51.895 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.674 14.767 -53.258 1.00 0.00 H new ATOM 798 N VAL A 54 -0.815 13.264 -55.668 1.00 0.00 N ATOM 799 CA VAL A 54 -1.719 12.879 -56.746 1.00 0.00 C ATOM 800 C VAL A 54 -1.075 11.816 -57.633 1.00 0.00 C ATOM 801 O VAL A 54 -1.770 10.989 -58.225 1.00 0.00 O ATOM 802 CB VAL A 54 -2.093 14.104 -57.586 1.00 0.00 C ATOM 803 CG1 VAL A 54 -1.082 14.284 -58.719 1.00 0.00 C ATOM 804 CG2 VAL A 54 -3.490 13.906 -58.178 1.00 0.00 C ATOM 0 H VAL A 54 -0.429 14.205 -55.751 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.624 12.462 -56.303 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.085 14.991 -56.953 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.353 15.157 -59.313 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.086 14.426 -58.299 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.085 13.398 -59.354 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.758 14.777 -58.776 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.495 13.017 -58.808 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.213 13.783 -57.371 1.00 0.00 H new ATOM 814 N GLU A 55 0.251 11.838 -57.721 1.00 0.00 N ATOM 815 CA GLU A 55 0.966 10.866 -58.541 1.00 0.00 C ATOM 816 C GLU A 55 0.807 9.457 -57.976 1.00 0.00 C ATOM 817 O GLU A 55 0.524 8.514 -58.715 1.00 0.00 O ATOM 818 CB GLU A 55 2.451 11.227 -58.608 1.00 0.00 C ATOM 819 CG GLU A 55 2.654 12.376 -59.596 1.00 0.00 C ATOM 820 CD GLU A 55 2.710 11.833 -61.020 1.00 0.00 C ATOM 821 OE1 GLU A 55 2.104 10.802 -61.264 1.00 0.00 O ATOM 822 OE2 GLU A 55 3.359 12.454 -61.846 1.00 0.00 O ATOM 0 H GLU A 55 0.848 12.511 -57.240 1.00 0.00 H new ATOM 0 HA GLU A 55 0.541 10.890 -59.544 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.811 11.515 -57.620 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.033 10.359 -58.919 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.840 13.095 -59.503 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.577 12.908 -59.364 1.00 0.00 H new ATOM 829 N VAL A 56 0.991 9.318 -56.668 1.00 0.00 N ATOM 830 CA VAL A 56 0.864 8.013 -56.028 1.00 0.00 C ATOM 831 C VAL A 56 -0.605 7.630 -55.868 1.00 0.00 C ATOM 832 O VAL A 56 -0.958 6.453 -55.954 1.00 0.00 O ATOM 833 CB VAL A 56 1.553 8.023 -54.661 1.00 0.00 C ATOM 834 CG1 VAL A 56 0.818 8.977 -53.717 1.00 0.00 C ATOM 835 CG2 VAL A 56 1.533 6.611 -54.072 1.00 0.00 C ATOM 0 H VAL A 56 1.226 10.083 -56.036 1.00 0.00 H new ATOM 0 HA VAL A 56 1.348 7.273 -56.665 1.00 0.00 H new ATOM 0 HB VAL A 56 2.584 8.357 -54.780 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.312 8.980 -52.746 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.831 9.984 -54.134 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.214 8.647 -53.598 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.023 6.616 -53.098 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.501 6.279 -53.957 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.060 5.930 -54.740 1.00 0.00 H new ATOM 845 N LEU A 57 -1.456 8.625 -55.636 1.00 0.00 N ATOM 846 CA LEU A 57 -2.885 8.373 -55.468 1.00 0.00 C ATOM 847 C LEU A 57 -3.438 7.573 -56.643 1.00 0.00 C ATOM 848 O LEU A 57 -4.107 6.558 -56.449 1.00 0.00 O ATOM 849 CB LEU A 57 -3.642 9.699 -55.355 1.00 0.00 C ATOM 850 CG LEU A 57 -4.215 9.843 -53.945 1.00 0.00 C ATOM 851 CD1 LEU A 57 -3.093 10.208 -52.972 1.00 0.00 C ATOM 852 CD2 LEU A 57 -5.275 10.947 -53.937 1.00 0.00 C ATOM 0 H LEU A 57 -1.185 9.605 -55.560 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.022 7.794 -54.554 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.973 10.531 -55.573 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.446 9.735 -56.091 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.668 8.900 -53.639 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.502 10.311 -51.967 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.337 9.423 -52.978 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.639 11.151 -53.277 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.685 11.051 -52.932 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.821 11.890 -54.243 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.075 10.688 -54.630 1.00 0.00 H new ATOM 864 N LYS A 58 -3.163 8.032 -57.860 1.00 0.00 N ATOM 865 CA LYS A 58 -3.650 7.336 -59.046 1.00 0.00 C ATOM 866 C LYS A 58 -2.947 5.991 -59.203 1.00 0.00 C ATOM 867 O LYS A 58 -3.566 4.997 -59.583 1.00 0.00 O ATOM 868 CB LYS A 58 -3.416 8.191 -60.293 1.00 0.00 C ATOM 869 CG LYS A 58 -4.369 9.389 -60.284 1.00 0.00 C ATOM 870 CD LYS A 58 -5.761 8.940 -60.733 1.00 0.00 C ATOM 871 CE LYS A 58 -6.691 10.154 -60.806 1.00 0.00 C ATOM 872 NZ LYS A 58 -6.805 10.780 -59.456 1.00 0.00 N ATOM 0 H LYS A 58 -2.614 8.870 -58.050 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.719 7.162 -58.928 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.383 8.536 -60.320 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.576 7.594 -61.191 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.419 9.819 -59.284 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.996 10.169 -60.948 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.702 8.455 -61.707 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.160 8.204 -60.035 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.304 10.879 -61.522 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.676 9.850 -61.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.654 11.380 -59.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.878 10.036 -58.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.963 11.361 -59.271 1.00 0.00 H new ATOM 886 N ARG A 59 -1.652 5.968 -58.906 1.00 0.00 N ATOM 887 CA ARG A 59 -0.872 4.739 -59.015 1.00 0.00 C ATOM 888 C ARG A 59 -1.341 3.710 -57.989 1.00 0.00 C ATOM 889 O ARG A 59 -1.123 2.510 -58.157 1.00 0.00 O ATOM 890 CB ARG A 59 0.612 5.040 -58.796 1.00 0.00 C ATOM 891 CG ARG A 59 1.457 3.911 -59.390 1.00 0.00 C ATOM 892 CD ARG A 59 2.004 3.033 -58.263 1.00 0.00 C ATOM 893 NE ARG A 59 2.856 1.981 -58.810 1.00 0.00 N ATOM 894 CZ ARG A 59 3.697 1.287 -58.042 1.00 0.00 C ATOM 895 NH1 ARG A 59 3.789 1.530 -56.759 1.00 0.00 N ATOM 896 NH2 ARG A 59 4.437 0.354 -58.576 1.00 0.00 N ATOM 0 H ARG A 59 -1.122 6.780 -58.590 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.016 4.329 -60.015 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.874 5.989 -59.264 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.820 5.142 -57.731 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.854 3.311 -60.072 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.279 4.326 -59.973 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.572 3.643 -57.561 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.179 2.589 -57.705 1.00 0.00 H new ATOM 0 HE ARG A 59 2.807 1.771 -59.807 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.213 2.258 -56.335 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.436 0.992 -56.183 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.370 0.159 -59.575 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.082 -0.180 -57.994 1.00 0.00 H new ATOM 910 N GLU A 60 -1.983 4.189 -56.927 1.00 0.00 N ATOM 911 CA GLU A 60 -2.476 3.303 -55.878 1.00 0.00 C ATOM 912 C GLU A 60 -4.002 3.208 -55.928 1.00 0.00 C ATOM 913 O GLU A 60 -4.695 3.903 -55.185 1.00 0.00 O ATOM 914 CB GLU A 60 -2.049 3.837 -54.509 1.00 0.00 C ATOM 915 CG GLU A 60 -0.523 3.798 -54.395 1.00 0.00 C ATOM 916 CD GLU A 60 -0.029 2.357 -54.479 1.00 0.00 C ATOM 917 OE1 GLU A 60 -0.624 1.510 -53.833 1.00 0.00 O ATOM 918 OE2 GLU A 60 0.936 2.123 -55.188 1.00 0.00 O ATOM 0 H GLU A 60 -2.173 5.179 -56.771 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.054 2.311 -56.037 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.407 4.858 -54.378 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.498 3.237 -53.717 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.075 4.391 -55.192 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.209 4.244 -53.451 1.00 0.00 H new ATOM 925 N PRO A 61 -4.537 2.370 -56.782 1.00 0.00 N ATOM 926 CA PRO A 61 -6.015 2.197 -56.914 1.00 0.00 C ATOM 927 C PRO A 61 -6.648 1.584 -55.663 1.00 0.00 C ATOM 928 O PRO A 61 -7.872 1.488 -55.565 1.00 0.00 O ATOM 929 CB PRO A 61 -6.177 1.272 -58.123 1.00 0.00 C ATOM 930 CG PRO A 61 -4.873 0.561 -58.265 1.00 0.00 C ATOM 931 CD PRO A 61 -3.801 1.500 -57.714 1.00 0.00 C ATOM 0 HA PRO A 61 -6.521 3.154 -57.039 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.993 0.566 -57.969 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.413 1.841 -59.022 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.883 -0.380 -57.715 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.676 0.318 -59.309 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.010 0.949 -57.206 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.328 2.076 -58.509 1.00 0.00 H new ATOM 939 N LEU A 62 -5.816 1.182 -54.704 1.00 0.00 N ATOM 940 CA LEU A 62 -6.322 0.599 -53.469 1.00 0.00 C ATOM 941 C LEU A 62 -7.166 1.625 -52.719 1.00 0.00 C ATOM 942 O LEU A 62 -8.236 1.306 -52.201 1.00 0.00 O ATOM 943 CB LEU A 62 -5.152 0.143 -52.590 1.00 0.00 C ATOM 944 CG LEU A 62 -5.682 -0.465 -51.289 1.00 0.00 C ATOM 945 CD1 LEU A 62 -6.489 -1.727 -51.602 1.00 0.00 C ATOM 946 CD2 LEU A 62 -4.503 -0.827 -50.383 1.00 0.00 C ATOM 0 H LEU A 62 -4.800 1.249 -54.759 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.943 -0.264 -53.711 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.549 -0.591 -53.125 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.502 0.989 -52.368 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.324 0.258 -50.785 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.865 -2.158 -50.674 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.328 -1.471 -52.249 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.850 -2.452 -52.106 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.877 -1.260 -49.455 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.864 -1.550 -50.889 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.928 0.071 -50.158 1.00 0.00 H new ATOM 958 N ASN A 63 -6.679 2.861 -52.679 1.00 0.00 N ATOM 959 CA ASN A 63 -7.396 3.937 -52.005 1.00 0.00 C ATOM 960 C ASN A 63 -8.444 4.561 -52.930 1.00 0.00 C ATOM 961 O ASN A 63 -9.249 5.386 -52.497 1.00 0.00 O ATOM 962 CB ASN A 63 -6.410 5.015 -51.549 1.00 0.00 C ATOM 963 CG ASN A 63 -5.467 5.375 -52.692 1.00 0.00 C ATOM 964 OD1 ASN A 63 -4.410 4.763 -52.841 1.00 0.00 O ATOM 965 ND2 ASN A 63 -5.789 6.338 -53.512 1.00 0.00 N ATOM 0 H ASN A 63 -5.795 3.141 -53.103 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.905 3.515 -51.138 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.953 5.901 -51.222 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.838 4.658 -50.693 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.164 6.585 -54.279 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.666 6.843 -53.386 1.00 0.00 H new ATOM 972 N TYR A 64 -8.432 4.168 -54.205 1.00 0.00 N ATOM 973 CA TYR A 64 -9.388 4.699 -55.169 1.00 0.00 C ATOM 974 C TYR A 64 -10.766 4.085 -54.949 1.00 0.00 C ATOM 975 O TYR A 64 -11.788 4.706 -55.240 1.00 0.00 O ATOM 976 CB TYR A 64 -8.916 4.395 -56.592 1.00 0.00 C ATOM 977 CG TYR A 64 -9.854 5.043 -57.583 1.00 0.00 C ATOM 978 CD1 TYR A 64 -9.689 6.391 -57.925 1.00 0.00 C ATOM 979 CD2 TYR A 64 -10.888 4.296 -58.160 1.00 0.00 C ATOM 980 CE1 TYR A 64 -10.558 6.992 -58.843 1.00 0.00 C ATOM 981 CE2 TYR A 64 -11.758 4.897 -59.078 1.00 0.00 C ATOM 982 CZ TYR A 64 -11.593 6.245 -59.420 1.00 0.00 C ATOM 983 OH TYR A 64 -12.450 6.838 -60.325 1.00 0.00 O ATOM 0 H TYR A 64 -7.775 3.489 -54.589 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.456 5.778 -55.030 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.902 4.768 -56.738 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -8.886 3.318 -56.754 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.891 6.967 -57.480 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.015 3.256 -57.897 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -10.431 8.032 -59.106 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -12.556 4.321 -59.522 1.00 0.00 H new ATOM 0 HH TYR A 64 -13.110 6.181 -60.630 1.00 0.00 H new ATOM 993 N LEU A 65 -10.786 2.862 -54.430 1.00 0.00 N ATOM 994 CA LEU A 65 -12.044 2.172 -54.173 1.00 0.00 C ATOM 995 C LEU A 65 -12.593 2.569 -52.801 1.00 0.00 C ATOM 996 O LEU A 65 -11.845 3.034 -51.941 1.00 0.00 O ATOM 997 CB LEU A 65 -11.825 0.658 -54.223 1.00 0.00 C ATOM 998 CG LEU A 65 -11.386 0.248 -55.631 1.00 0.00 C ATOM 999 CD1 LEU A 65 -10.953 -1.219 -55.623 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -12.554 0.429 -56.606 1.00 0.00 C ATOM 0 H LEU A 65 -9.951 2.331 -54.181 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.765 2.458 -54.939 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.068 0.366 -53.496 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.744 0.138 -53.952 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.550 0.873 -55.946 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.640 -1.512 -56.625 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.121 -1.349 -54.931 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.789 -1.843 -55.307 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.240 0.137 -57.608 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.391 -0.195 -56.291 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.863 1.474 -56.613 1.00 0.00 H new