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 -174:sc= 0.69 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= -0.625 USER MOD Set 2.1: A 32 ASN : amide:sc= -0.251 K(o=-0.3,f=-4.6!) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.0464 K(o=-0.3,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -0.953 K(o=-0.95,f=-2.5) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0946 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 25 ASN : amide:sc= -0.043 K(o=-0.043,f=-1.9!) USER MOD Single : A 29 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 30 SER OG : rot -44:sc= 0.786 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 76:sc= 1.07 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.731 K(o=-0.73,f=-5.6!) USER MOD Single : A 46 ASN : amide:sc= -0.657 K(o=-0.66,f=-5.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.453 USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.122 (180deg=-0.997) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc=-0.00511 (180deg=-0.194) USER MOD Single : A 63 ASN : amide:sc= -2.79 K(o=-2.8,f=-8.7!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 16.707 8.409 -14.702 1.00 0.00 N ATOM 211 CA CYS A 13 15.684 8.381 -15.741 1.00 0.00 C ATOM 212 C CYS A 13 16.172 7.598 -16.958 1.00 0.00 C ATOM 213 O CYS A 13 16.696 8.173 -17.913 1.00 0.00 O ATOM 214 CB CYS A 13 15.322 9.813 -16.152 1.00 0.00 C ATOM 215 SG CYS A 13 13.614 10.168 -15.668 1.00 0.00 S ATOM 0 HA CYS A 13 14.799 7.884 -15.343 1.00 0.00 H new ATOM 0 HB2 CYS A 13 16.000 10.521 -15.677 1.00 0.00 H new ATOM 0 HB3 CYS A 13 15.438 9.934 -17.229 1.00 0.00 H new ATOM 220 N ASN A 14 16.001 6.281 -16.917 1.00 0.00 N ATOM 221 CA ASN A 14 16.431 5.435 -18.026 1.00 0.00 C ATOM 222 C ASN A 14 15.236 5.015 -18.878 1.00 0.00 C ATOM 223 O ASN A 14 15.356 4.862 -20.094 1.00 0.00 O ATOM 224 CB ASN A 14 17.145 4.191 -17.492 1.00 0.00 C ATOM 225 CG ASN A 14 16.208 3.402 -16.584 1.00 0.00 C ATOM 226 OD1 ASN A 14 15.305 2.718 -17.067 1.00 0.00 O ATOM 227 ND2 ASN A 14 16.366 3.458 -15.290 1.00 0.00 N ATOM 0 H ASN A 14 15.573 5.780 -16.138 1.00 0.00 H new ATOM 0 HA ASN A 14 17.120 6.008 -18.647 1.00 0.00 H new ATOM 0 HB2 ASN A 14 17.473 3.565 -18.322 1.00 0.00 H new ATOM 0 HB3 ASN A 14 18.039 4.483 -16.941 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.741 2.935 -14.677 1.00 0.00 H new ATOM 0 HD22 ASN A 14 17.114 4.025 -14.892 1.00 0.00 H new ATOM 234 N THR A 15 14.087 4.824 -18.229 1.00 0.00 N ATOM 235 CA THR A 15 12.874 4.414 -18.932 1.00 0.00 C ATOM 236 C THR A 15 12.663 5.250 -20.191 1.00 0.00 C ATOM 237 O THR A 15 12.992 6.436 -20.225 1.00 0.00 O ATOM 238 CB THR A 15 11.658 4.561 -18.011 1.00 0.00 C ATOM 239 OG1 THR A 15 10.471 4.355 -18.763 1.00 0.00 O ATOM 240 CG2 THR A 15 11.636 5.963 -17.393 1.00 0.00 C ATOM 0 H THR A 15 13.972 4.946 -17.223 1.00 0.00 H new ATOM 0 HA THR A 15 12.988 3.370 -19.223 1.00 0.00 H new ATOM 0 HB THR A 15 11.720 3.821 -17.213 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.692 4.447 -18.176 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.769 6.059 -16.740 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.546 6.119 -16.813 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.578 6.709 -18.186 1.00 0.00 H new ATOM 248 N ALA A 16 12.121 4.617 -21.226 1.00 0.00 N ATOM 249 CA ALA A 16 11.875 5.298 -22.492 1.00 0.00 C ATOM 250 C ALA A 16 10.799 6.371 -22.345 1.00 0.00 C ATOM 251 O ALA A 16 10.720 7.293 -23.156 1.00 0.00 O ATOM 252 CB ALA A 16 11.435 4.282 -23.548 1.00 0.00 C ATOM 0 H ALA A 16 11.844 3.635 -21.213 1.00 0.00 H new ATOM 0 HA ALA A 16 12.803 5.780 -22.801 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.252 4.795 -24.492 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.219 3.537 -23.685 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.520 3.789 -23.220 1.00 0.00 H new ATOM 258 N THR A 17 9.970 6.247 -21.313 1.00 0.00 N ATOM 259 CA THR A 17 8.904 7.216 -21.084 1.00 0.00 C ATOM 260 C THR A 17 9.474 8.552 -20.616 1.00 0.00 C ATOM 261 O THR A 17 9.011 9.615 -21.027 1.00 0.00 O ATOM 262 CB THR A 17 7.927 6.680 -20.034 1.00 0.00 C ATOM 263 OG1 THR A 17 7.351 5.469 -20.502 1.00 0.00 O ATOM 264 CG2 THR A 17 6.825 7.711 -19.786 1.00 0.00 C ATOM 0 H THR A 17 10.015 5.493 -20.628 1.00 0.00 H new ATOM 0 HA THR A 17 8.378 7.373 -22.026 1.00 0.00 H new ATOM 0 HB THR A 17 8.460 6.493 -19.102 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.726 5.123 -19.831 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.130 7.328 -19.038 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.269 8.639 -19.427 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.289 7.901 -20.716 1.00 0.00 H new ATOM 272 N CYS A 18 10.478 8.490 -19.749 1.00 0.00 N ATOM 273 CA CYS A 18 11.100 9.701 -19.227 1.00 0.00 C ATOM 274 C CYS A 18 11.745 10.504 -20.353 1.00 0.00 C ATOM 275 O CYS A 18 11.556 11.716 -20.452 1.00 0.00 O ATOM 276 CB CYS A 18 12.158 9.335 -18.185 1.00 0.00 C ATOM 277 SG CYS A 18 12.750 10.837 -17.368 1.00 0.00 S ATOM 0 H CYS A 18 10.877 7.621 -19.395 1.00 0.00 H new ATOM 0 HA CYS A 18 10.327 10.312 -18.761 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.736 8.650 -17.449 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.990 8.817 -18.663 1.00 0.00 H new ATOM 282 N ALA A 19 12.509 9.822 -21.199 1.00 0.00 N ATOM 283 CA ALA A 19 13.179 10.486 -22.312 1.00 0.00 C ATOM 284 C ALA A 19 12.160 11.068 -23.289 1.00 0.00 C ATOM 285 O ALA A 19 12.376 12.136 -23.859 1.00 0.00 O ATOM 286 CB ALA A 19 14.085 9.495 -23.044 1.00 0.00 C ATOM 0 H ALA A 19 12.679 8.818 -21.137 1.00 0.00 H new ATOM 0 HA ALA A 19 13.782 11.301 -21.911 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.581 9.999 -23.873 1.00 0.00 H new ATOM 0 HB2 ALA A 19 14.835 9.109 -22.353 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.486 8.669 -23.428 1.00 0.00 H new ATOM 292 N THR A 20 11.058 10.353 -23.487 1.00 0.00 N ATOM 293 CA THR A 20 10.017 10.801 -24.408 1.00 0.00 C ATOM 294 C THR A 20 9.658 12.266 -24.171 1.00 0.00 C ATOM 295 O THR A 20 9.527 13.040 -25.119 1.00 0.00 O ATOM 296 CB THR A 20 8.763 9.940 -24.236 1.00 0.00 C ATOM 297 OG1 THR A 20 9.072 8.589 -24.545 1.00 0.00 O ATOM 298 CG2 THR A 20 7.665 10.442 -25.175 1.00 0.00 C ATOM 0 H THR A 20 10.862 9.465 -23.025 1.00 0.00 H new ATOM 0 HA THR A 20 10.403 10.699 -25.422 1.00 0.00 H new ATOM 0 HB THR A 20 8.415 10.006 -23.205 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.475 8.158 -23.762 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.772 9.828 -25.052 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.428 11.479 -24.936 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.011 10.377 -26.207 1.00 0.00 H new ATOM 306 N GLN A 21 9.487 12.641 -22.907 1.00 0.00 N ATOM 307 CA GLN A 21 9.128 14.017 -22.576 1.00 0.00 C ATOM 308 C GLN A 21 10.294 14.967 -22.840 1.00 0.00 C ATOM 309 O GLN A 21 10.088 16.148 -23.119 1.00 0.00 O ATOM 310 CB GLN A 21 8.703 14.112 -21.107 1.00 0.00 C ATOM 311 CG GLN A 21 9.907 14.479 -20.235 1.00 0.00 C ATOM 312 CD GLN A 21 9.577 14.242 -18.766 1.00 0.00 C ATOM 313 OE1 GLN A 21 9.312 13.109 -18.363 1.00 0.00 O ATOM 314 NE2 GLN A 21 9.577 15.249 -17.936 1.00 0.00 N ATOM 0 H GLN A 21 9.589 12.021 -22.104 1.00 0.00 H new ATOM 0 HA GLN A 21 8.294 14.311 -23.213 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.920 14.862 -20.994 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.283 13.161 -20.779 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.771 13.881 -20.523 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.176 15.524 -20.392 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.797 16.187 -18.272 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.357 15.098 -16.951 1.00 0.00 H new ATOM 323 N ARG A 22 11.517 14.452 -22.747 1.00 0.00 N ATOM 324 CA ARG A 22 12.696 15.281 -22.976 1.00 0.00 C ATOM 325 C ARG A 22 12.871 15.572 -24.466 1.00 0.00 C ATOM 326 O ARG A 22 12.933 16.731 -24.877 1.00 0.00 O ATOM 327 CB ARG A 22 13.944 14.576 -22.429 1.00 0.00 C ATOM 328 CG ARG A 22 15.206 15.366 -22.800 1.00 0.00 C ATOM 329 CD ARG A 22 15.112 16.788 -22.244 1.00 0.00 C ATOM 330 NE ARG A 22 14.825 16.753 -20.813 1.00 0.00 N ATOM 331 CZ ARG A 22 15.779 16.512 -19.910 1.00 0.00 C ATOM 332 NH1 ARG A 22 17.015 16.294 -20.283 1.00 0.00 N ATOM 333 NH2 ARG A 22 15.475 16.493 -18.641 1.00 0.00 N ATOM 0 H ARG A 22 11.716 13.478 -22.518 1.00 0.00 H new ATOM 0 HA ARG A 22 12.560 16.228 -22.454 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.871 14.481 -21.346 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.007 13.566 -22.834 1.00 0.00 H new ATOM 0 HG2 ARG A 22 16.089 14.867 -22.400 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.321 15.397 -23.883 1.00 0.00 H new ATOM 0 HD2 ARG A 22 16.048 17.318 -22.422 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.330 17.339 -22.766 1.00 0.00 H new ATOM 0 HE ARG A 22 13.870 16.917 -20.494 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.259 16.307 -21.273 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.734 16.111 -19.583 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.514 16.662 -18.344 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.199 16.310 -17.946 1.00 0.00 H new ATOM 347 N LEU A 23 12.954 14.516 -25.267 1.00 0.00 N ATOM 348 CA LEU A 23 13.127 14.677 -26.706 1.00 0.00 C ATOM 349 C LEU A 23 11.908 15.360 -27.321 1.00 0.00 C ATOM 350 O LEU A 23 12.025 16.078 -28.313 1.00 0.00 O ATOM 351 CB LEU A 23 13.356 13.316 -27.372 1.00 0.00 C ATOM 352 CG LEU A 23 12.105 12.447 -27.232 1.00 0.00 C ATOM 353 CD1 LEU A 23 11.316 12.471 -28.544 1.00 0.00 C ATOM 354 CD2 LEU A 23 12.520 11.007 -26.915 1.00 0.00 C ATOM 0 H LEU A 23 12.905 13.548 -24.949 1.00 0.00 H new ATOM 0 HA LEU A 23 14.002 15.305 -26.876 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.597 13.454 -28.426 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.209 12.816 -26.913 1.00 0.00 H new ATOM 0 HG LEU A 23 11.482 12.834 -26.426 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.425 11.852 -28.444 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.022 13.495 -28.773 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.939 12.083 -29.350 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.630 10.386 -26.815 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.143 10.622 -27.722 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.083 10.988 -25.982 1.00 0.00 H new ATOM 366 N ALA A 24 10.741 15.134 -26.726 1.00 0.00 N ATOM 367 CA ALA A 24 9.513 15.737 -27.229 1.00 0.00 C ATOM 368 C ALA A 24 9.604 17.259 -27.174 1.00 0.00 C ATOM 369 O ALA A 24 9.269 17.946 -28.138 1.00 0.00 O ATOM 370 CB ALA A 24 8.320 15.264 -26.396 1.00 0.00 C ATOM 0 H ALA A 24 10.620 14.544 -25.903 1.00 0.00 H new ATOM 0 HA ALA A 24 9.376 15.429 -28.266 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.406 15.719 -26.778 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.239 14.179 -26.460 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.464 15.557 -25.356 1.00 0.00 H new ATOM 376 N ASN A 25 10.058 17.778 -26.037 1.00 0.00 N ATOM 377 CA ASN A 25 10.186 19.220 -25.865 1.00 0.00 C ATOM 378 C ASN A 25 11.169 19.799 -26.878 1.00 0.00 C ATOM 379 O ASN A 25 10.936 20.866 -27.445 1.00 0.00 O ATOM 380 CB ASN A 25 10.672 19.532 -24.449 1.00 0.00 C ATOM 381 CG ASN A 25 9.557 19.260 -23.444 1.00 0.00 C ATOM 382 OD1 ASN A 25 8.384 19.211 -23.815 1.00 0.00 O ATOM 383 ND2 ASN A 25 9.854 19.079 -22.187 1.00 0.00 N ATOM 0 H ASN A 25 10.341 17.226 -25.227 1.00 0.00 H new ATOM 0 HA ASN A 25 9.208 19.674 -26.026 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.544 18.922 -24.212 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.985 20.574 -24.384 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.114 18.896 -21.509 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.826 19.120 -21.882 1.00 0.00 H new ATOM 390 N PHE A 26 12.270 19.088 -27.098 1.00 0.00 N ATOM 391 CA PHE A 26 13.285 19.540 -28.043 1.00 0.00 C ATOM 392 C PHE A 26 12.724 19.571 -29.461 1.00 0.00 C ATOM 393 O PHE A 26 13.072 20.442 -30.258 1.00 0.00 O ATOM 394 CB PHE A 26 14.500 18.612 -27.991 1.00 0.00 C ATOM 395 CG PHE A 26 15.587 19.156 -28.886 1.00 0.00 C ATOM 396 CD1 PHE A 26 16.407 20.198 -28.438 1.00 0.00 C ATOM 397 CD2 PHE A 26 15.776 18.618 -30.165 1.00 0.00 C ATOM 398 CE1 PHE A 26 17.415 20.703 -29.268 1.00 0.00 C ATOM 399 CE2 PHE A 26 16.784 19.123 -30.995 1.00 0.00 C ATOM 400 CZ PHE A 26 17.603 20.166 -30.546 1.00 0.00 C ATOM 0 H PHE A 26 12.482 18.202 -26.638 1.00 0.00 H new ATOM 0 HA PHE A 26 13.588 20.549 -27.764 1.00 0.00 H new ATOM 0 HB2 PHE A 26 14.865 18.530 -26.967 1.00 0.00 H new ATOM 0 HB3 PHE A 26 14.219 17.609 -28.311 1.00 0.00 H new ATOM 0 HD1 PHE A 26 16.262 20.613 -27.451 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.144 17.813 -30.511 1.00 0.00 H new ATOM 0 HE1 PHE A 26 18.047 21.507 -28.922 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.930 18.708 -31.981 1.00 0.00 H new ATOM 0 HZ PHE A 26 18.380 20.556 -31.186 1.00 0.00 H new ATOM 410 N LEU A 27 11.857 18.612 -29.769 1.00 0.00 N ATOM 411 CA LEU A 27 11.255 18.533 -31.095 1.00 0.00 C ATOM 412 C LEU A 27 10.479 19.814 -31.397 1.00 0.00 C ATOM 413 O LEU A 27 10.694 20.458 -32.424 1.00 0.00 O ATOM 414 CB LEU A 27 10.318 17.308 -31.144 1.00 0.00 C ATOM 415 CG LEU A 27 9.602 17.156 -32.507 1.00 0.00 C ATOM 416 CD1 LEU A 27 8.322 18.008 -32.542 1.00 0.00 C ATOM 417 CD2 LEU A 27 10.528 17.554 -33.667 1.00 0.00 C ATOM 0 H LEU A 27 11.557 17.882 -29.122 1.00 0.00 H new ATOM 0 HA LEU A 27 12.034 18.423 -31.849 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.895 16.406 -30.939 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.572 17.395 -30.354 1.00 0.00 H new ATOM 0 HG LEU A 27 9.333 16.106 -32.626 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.832 17.889 -33.508 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.647 17.683 -31.750 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.579 19.057 -32.393 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.998 17.437 -34.612 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.833 18.594 -33.548 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.410 16.914 -33.664 1.00 0.00 H new ATOM 429 N VAL A 28 9.573 20.176 -30.494 1.00 0.00 N ATOM 430 CA VAL A 28 8.761 21.376 -30.671 1.00 0.00 C ATOM 431 C VAL A 28 9.594 22.646 -30.496 1.00 0.00 C ATOM 432 O VAL A 28 9.182 23.728 -30.913 1.00 0.00 O ATOM 433 CB VAL A 28 7.618 21.379 -29.653 1.00 0.00 C ATOM 434 CG1 VAL A 28 6.751 20.135 -29.853 1.00 0.00 C ATOM 435 CG2 VAL A 28 8.194 21.375 -28.234 1.00 0.00 C ATOM 0 H VAL A 28 9.383 19.659 -29.636 1.00 0.00 H new ATOM 0 HA VAL A 28 8.362 21.364 -31.685 1.00 0.00 H new ATOM 0 HB VAL A 28 7.011 22.273 -29.796 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.937 20.138 -29.128 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.338 20.138 -30.862 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.359 19.241 -29.712 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.379 21.377 -27.510 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.804 20.483 -28.091 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.810 22.262 -28.089 1.00 0.00 H new ATOM 445 N HIS A 29 10.757 22.511 -29.864 1.00 0.00 N ATOM 446 CA HIS A 29 11.622 23.663 -29.628 1.00 0.00 C ATOM 447 C HIS A 29 12.693 23.792 -30.710 1.00 0.00 C ATOM 448 O HIS A 29 13.361 24.821 -30.805 1.00 0.00 O ATOM 449 CB HIS A 29 12.290 23.539 -28.257 1.00 0.00 C ATOM 450 CG HIS A 29 13.112 24.769 -27.985 1.00 0.00 C ATOM 451 ND1 HIS A 29 12.534 25.994 -27.690 1.00 0.00 N ATOM 452 CD2 HIS A 29 14.469 24.980 -27.960 1.00 0.00 C ATOM 453 CE1 HIS A 29 13.531 26.878 -27.501 1.00 0.00 C ATOM 454 NE2 HIS A 29 14.730 26.312 -27.655 1.00 0.00 N ATOM 0 H HIS A 29 11.119 21.626 -29.510 1.00 0.00 H new ATOM 0 HA HIS A 29 11.001 24.558 -29.658 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.533 23.416 -27.482 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.923 22.652 -28.228 1.00 0.00 H new ATOM 0 HD2 HIS A 29 15.219 24.226 -28.148 1.00 0.00 H new ATOM 0 HE1 HIS A 29 13.379 27.919 -27.255 1.00 0.00 H new ATOM 0 HE2 HIS A 29 15.642 26.760 -27.568 1.00 0.00 H new ATOM 463 N SER A 30 12.858 22.755 -31.526 1.00 0.00 N ATOM 464 CA SER A 30 13.854 22.785 -32.591 1.00 0.00 C ATOM 465 C SER A 30 13.184 22.723 -33.963 1.00 0.00 C ATOM 466 O SER A 30 13.829 22.399 -34.959 1.00 0.00 O ATOM 467 CB SER A 30 14.805 21.597 -32.440 1.00 0.00 C ATOM 468 OG SER A 30 15.886 21.743 -33.350 1.00 0.00 O ATOM 0 H SER A 30 12.320 21.890 -31.471 1.00 0.00 H new ATOM 0 HA SER A 30 14.411 23.719 -32.514 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.180 21.544 -31.418 1.00 0.00 H new ATOM 0 HB3 SER A 30 14.275 20.665 -32.634 1.00 0.00 H new ATOM 0 HG SER A 30 15.542 22.021 -34.225 1.00 0.00 H new ATOM 474 N SER A 31 11.893 23.040 -34.012 1.00 0.00 N ATOM 475 CA SER A 31 11.162 23.019 -35.274 1.00 0.00 C ATOM 476 C SER A 31 11.727 24.063 -36.233 1.00 0.00 C ATOM 477 O SER A 31 11.961 23.789 -37.410 1.00 0.00 O ATOM 478 CB SER A 31 9.684 23.316 -35.018 1.00 0.00 C ATOM 479 OG SER A 31 8.982 23.306 -36.254 1.00 0.00 O ATOM 0 H SER A 31 11.337 23.312 -33.201 1.00 0.00 H new ATOM 0 HA SER A 31 11.267 22.031 -35.721 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.263 22.572 -34.342 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.575 24.286 -34.532 1.00 0.00 H new ATOM 0 HG SER A 31 8.034 23.495 -36.093 1.00 0.00 H new ATOM 485 N ASN A 32 11.932 25.265 -35.706 1.00 0.00 N ATOM 486 CA ASN A 32 12.460 26.369 -36.502 1.00 0.00 C ATOM 487 C ASN A 32 13.825 26.015 -37.085 1.00 0.00 C ATOM 488 O ASN A 32 14.009 26.023 -38.303 1.00 0.00 O ATOM 489 CB ASN A 32 12.579 27.630 -35.641 1.00 0.00 C ATOM 490 CG ASN A 32 13.089 27.273 -34.248 1.00 0.00 C ATOM 491 OD1 ASN A 32 12.383 26.626 -33.474 1.00 0.00 O ATOM 492 ND2 ASN A 32 14.280 27.659 -33.882 1.00 0.00 N ATOM 0 H ASN A 32 11.741 25.501 -34.732 1.00 0.00 H new ATOM 0 HA ASN A 32 11.768 26.556 -37.324 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.259 28.339 -36.114 1.00 0.00 H new ATOM 0 HB3 ASN A 32 11.608 28.120 -35.566 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.629 27.425 -32.952 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.863 28.195 -34.525 1.00 0.00 H new ATOM 499 N ASN A 33 14.779 25.712 -36.213 1.00 0.00 N ATOM 500 CA ASN A 33 16.125 25.366 -36.656 1.00 0.00 C ATOM 501 C ASN A 33 16.103 24.140 -37.564 1.00 0.00 C ATOM 502 O ASN A 33 16.791 24.106 -38.585 1.00 0.00 O ATOM 503 CB ASN A 33 17.019 25.092 -35.446 1.00 0.00 C ATOM 504 CG ASN A 33 17.305 26.393 -34.704 1.00 0.00 C ATOM 505 OD1 ASN A 33 16.928 26.542 -33.542 1.00 0.00 O ATOM 506 ND2 ASN A 33 17.954 27.350 -35.310 1.00 0.00 N ATOM 0 H ASN A 33 14.648 25.699 -35.202 1.00 0.00 H new ATOM 0 HA ASN A 33 16.524 26.209 -37.221 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.533 24.382 -34.777 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.954 24.635 -35.770 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.149 28.223 -34.820 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.266 27.225 -36.273 1.00 0.00 H new ATOM 513 N PHE A 34 15.325 23.132 -37.189 1.00 0.00 N ATOM 514 CA PHE A 34 15.245 21.911 -37.984 1.00 0.00 C ATOM 515 C PHE A 34 14.920 22.232 -39.440 1.00 0.00 C ATOM 516 O PHE A 34 15.510 21.659 -40.356 1.00 0.00 O ATOM 517 CB PHE A 34 14.171 20.983 -37.413 1.00 0.00 C ATOM 518 CG PHE A 34 14.071 19.743 -38.267 1.00 0.00 C ATOM 519 CD1 PHE A 34 15.078 18.772 -38.212 1.00 0.00 C ATOM 520 CD2 PHE A 34 12.970 19.562 -39.113 1.00 0.00 C ATOM 521 CE1 PHE A 34 14.984 17.621 -39.003 1.00 0.00 C ATOM 522 CE2 PHE A 34 12.877 18.411 -39.905 1.00 0.00 C ATOM 523 CZ PHE A 34 13.884 17.440 -39.850 1.00 0.00 C ATOM 0 H PHE A 34 14.746 23.134 -36.349 1.00 0.00 H new ATOM 0 HA PHE A 34 16.214 21.414 -37.943 1.00 0.00 H new ATOM 0 HB2 PHE A 34 14.418 20.712 -36.387 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.210 21.496 -37.384 1.00 0.00 H new ATOM 0 HD1 PHE A 34 15.927 18.911 -37.559 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.192 20.310 -39.155 1.00 0.00 H new ATOM 0 HE1 PHE A 34 15.761 16.872 -38.960 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.028 18.272 -40.558 1.00 0.00 H new ATOM 0 HZ PHE A 34 13.812 16.552 -40.460 1.00 0.00 H new ATOM 533 N GLY A 35 13.979 23.148 -39.647 1.00 0.00 N ATOM 534 CA GLY A 35 13.589 23.528 -40.999 1.00 0.00 C ATOM 535 C GLY A 35 14.782 24.089 -41.765 1.00 0.00 C ATOM 536 O GLY A 35 14.933 23.859 -42.965 1.00 0.00 O ATOM 0 H GLY A 35 13.478 23.636 -38.905 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.188 22.661 -41.524 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.794 24.272 -40.958 1.00 0.00 H new ATOM 540 N ALA A 36 15.623 24.833 -41.055 1.00 0.00 N ATOM 541 CA ALA A 36 16.803 25.437 -41.663 1.00 0.00 C ATOM 542 C ALA A 36 17.714 24.362 -42.248 1.00 0.00 C ATOM 543 O ALA A 36 18.227 24.508 -43.357 1.00 0.00 O ATOM 544 CB ALA A 36 17.571 26.251 -40.621 1.00 0.00 C ATOM 0 H ALA A 36 15.510 25.032 -40.061 1.00 0.00 H new ATOM 0 HA ALA A 36 16.477 26.097 -42.467 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.450 26.698 -41.084 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.928 27.039 -40.228 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.883 25.597 -39.806 1.00 0.00 H new ATOM 550 N ILE A 37 17.909 23.283 -41.498 1.00 0.00 N ATOM 551 CA ILE A 37 18.758 22.191 -41.960 1.00 0.00 C ATOM 552 C ILE A 37 18.100 21.456 -43.124 1.00 0.00 C ATOM 553 O ILE A 37 18.753 21.152 -44.122 1.00 0.00 O ATOM 554 CB ILE A 37 19.032 21.211 -40.817 1.00 0.00 C ATOM 555 CG1 ILE A 37 19.961 21.868 -39.792 1.00 0.00 C ATOM 556 CG2 ILE A 37 19.698 19.951 -41.373 1.00 0.00 C ATOM 557 CD1 ILE A 37 20.006 21.014 -38.524 1.00 0.00 C ATOM 0 H ILE A 37 17.495 23.141 -40.576 1.00 0.00 H new ATOM 0 HA ILE A 37 19.703 22.614 -42.301 1.00 0.00 H new ATOM 0 HB ILE A 37 18.091 20.943 -40.336 1.00 0.00 H new ATOM 0 HG12 ILE A 37 20.963 21.973 -40.208 1.00 0.00 H new ATOM 0 HG13 ILE A 37 19.607 22.871 -39.555 1.00 0.00 H new ATOM 0 HG21 ILE A 37 19.893 19.253 -40.559 1.00 0.00 H new ATOM 0 HG22 ILE A 37 19.038 19.482 -42.102 1.00 0.00 H new ATOM 0 HG23 ILE A 37 20.638 20.219 -41.854 1.00 0.00 H new ATOM 0 HD11 ILE A 37 20.667 21.481 -37.794 1.00 0.00 H new ATOM 0 HD12 ILE A 37 19.003 20.932 -38.105 1.00 0.00 H new ATOM 0 HD13 ILE A 37 20.380 20.020 -38.768 1.00 0.00 H new ATOM 569 N LEU A 38 16.808 21.173 -42.994 1.00 0.00 N ATOM 570 CA LEU A 38 16.088 20.474 -44.051 1.00 0.00 C ATOM 571 C LEU A 38 16.225 21.237 -45.364 1.00 0.00 C ATOM 572 O LEU A 38 16.583 20.669 -46.396 1.00 0.00 O ATOM 573 CB LEU A 38 14.606 20.352 -43.676 1.00 0.00 C ATOM 574 CG LEU A 38 13.840 19.633 -44.791 1.00 0.00 C ATOM 575 CD1 LEU A 38 14.366 18.204 -44.940 1.00 0.00 C ATOM 576 CD2 LEU A 38 12.352 19.590 -44.436 1.00 0.00 C ATOM 0 H LEU A 38 16.245 21.413 -42.178 1.00 0.00 H new ATOM 0 HA LEU A 38 16.512 19.477 -44.171 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.503 19.802 -42.740 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.181 21.342 -43.512 1.00 0.00 H new ATOM 0 HG LEU A 38 13.980 20.169 -45.730 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.819 17.696 -45.734 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.427 18.231 -45.190 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.228 17.666 -44.002 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.804 19.079 -45.227 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.217 19.054 -43.497 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.974 20.607 -44.331 1.00 0.00 H new ATOM 588 N SER A 39 15.930 22.532 -45.307 1.00 0.00 N ATOM 589 CA SER A 39 16.010 23.389 -46.486 1.00 0.00 C ATOM 590 C SER A 39 17.326 23.172 -47.228 1.00 0.00 C ATOM 591 O SER A 39 17.400 23.351 -48.444 1.00 0.00 O ATOM 592 CB SER A 39 15.898 24.856 -46.069 1.00 0.00 C ATOM 593 OG SER A 39 14.633 25.076 -45.460 1.00 0.00 O ATOM 0 H SER A 39 15.633 23.011 -44.457 1.00 0.00 H new ATOM 0 HA SER A 39 15.187 23.131 -47.152 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.698 25.111 -45.374 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.013 25.503 -46.939 1.00 0.00 H new ATOM 0 HG SER A 39 14.639 24.708 -44.552 1.00 0.00 H new ATOM 599 N SER A 40 18.362 22.786 -46.490 1.00 0.00 N ATOM 600 CA SER A 40 19.670 22.549 -47.092 1.00 0.00 C ATOM 601 C SER A 40 19.813 21.089 -47.514 1.00 0.00 C ATOM 602 O SER A 40 20.897 20.511 -47.426 1.00 0.00 O ATOM 603 CB SER A 40 20.773 22.904 -46.095 1.00 0.00 C ATOM 604 OG SER A 40 20.659 24.275 -45.737 1.00 0.00 O ATOM 0 H SER A 40 18.323 22.632 -45.483 1.00 0.00 H new ATOM 0 HA SER A 40 19.761 23.179 -47.977 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.692 22.277 -45.207 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.752 22.711 -46.534 1.00 0.00 H new ATOM 0 HG SER A 40 21.364 24.506 -45.096 1.00 0.00 H new ATOM 610 N THR A 41 18.714 20.498 -47.972 1.00 0.00 N ATOM 611 CA THR A 41 18.728 19.105 -48.406 1.00 0.00 C ATOM 612 C THR A 41 19.626 18.917 -49.631 1.00 0.00 C ATOM 613 O THR A 41 19.926 17.787 -50.016 1.00 0.00 O ATOM 614 CB THR A 41 17.307 18.650 -48.743 1.00 0.00 C ATOM 615 OG1 THR A 41 17.296 17.242 -48.933 1.00 0.00 O ATOM 616 CG2 THR A 41 16.835 19.344 -50.021 1.00 0.00 C ATOM 0 H THR A 41 17.807 20.958 -48.052 1.00 0.00 H new ATOM 0 HA THR A 41 19.125 18.502 -47.590 1.00 0.00 H new ATOM 0 HB THR A 41 16.637 18.912 -47.924 1.00 0.00 H new ATOM 0 HG1 THR A 41 16.410 16.961 -49.244 1.00 0.00 H new ATOM 0 HG21 THR A 41 15.822 19.018 -50.259 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.843 20.424 -49.873 1.00 0.00 H new ATOM 0 HG23 THR A 41 17.502 19.085 -50.843 1.00 0.00 H new ATOM 624 N ASN A 42 20.051 20.022 -50.241 1.00 0.00 N ATOM 625 CA ASN A 42 20.909 19.947 -51.419 1.00 0.00 C ATOM 626 C ASN A 42 22.374 19.742 -51.027 1.00 0.00 C ATOM 627 O ASN A 42 23.263 19.821 -51.875 1.00 0.00 O ATOM 628 CB ASN A 42 20.777 21.232 -52.239 1.00 0.00 C ATOM 629 CG ASN A 42 21.356 22.409 -51.460 1.00 0.00 C ATOM 630 OD1 ASN A 42 21.652 22.282 -50.272 1.00 0.00 O ATOM 631 ND2 ASN A 42 21.535 23.553 -52.062 1.00 0.00 N ATOM 0 H ASN A 42 19.818 20.969 -49.942 1.00 0.00 H new ATOM 0 HA ASN A 42 20.589 19.092 -52.015 1.00 0.00 H new ATOM 0 HB2 ASN A 42 21.299 21.122 -53.189 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.729 21.419 -52.471 1.00 0.00 H new ATOM 0 HD21 ASN A 42 21.921 24.345 -51.548 1.00 0.00 H new ATOM 0 HD22 ASN A 42 21.289 23.655 -53.047 1.00 0.00 H new ATOM 638 N VAL A 43 22.624 19.479 -49.745 1.00 0.00 N ATOM 639 CA VAL A 43 23.988 19.267 -49.275 1.00 0.00 C ATOM 640 C VAL A 43 24.374 17.790 -49.375 1.00 0.00 C ATOM 641 O VAL A 43 25.319 17.342 -48.727 1.00 0.00 O ATOM 642 CB VAL A 43 24.111 19.742 -47.823 1.00 0.00 C ATOM 643 CG1 VAL A 43 23.516 18.692 -46.880 1.00 0.00 C ATOM 644 CG2 VAL A 43 25.588 19.967 -47.477 1.00 0.00 C ATOM 0 H VAL A 43 21.908 19.409 -49.022 1.00 0.00 H new ATOM 0 HA VAL A 43 24.667 19.841 -49.905 1.00 0.00 H new ATOM 0 HB VAL A 43 23.566 20.678 -47.706 1.00 0.00 H new ATOM 0 HG11 VAL A 43 23.606 19.035 -45.850 1.00 0.00 H new ATOM 0 HG12 VAL A 43 22.464 18.541 -47.121 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.054 17.751 -46.997 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.672 20.305 -46.444 1.00 0.00 H new ATOM 0 HG22 VAL A 43 26.137 19.033 -47.599 1.00 0.00 H new ATOM 0 HG23 VAL A 43 26.006 20.723 -48.141 1.00 0.00 H new ATOM 654 N GLY A 44 23.641 17.038 -50.193 1.00 0.00 N ATOM 655 CA GLY A 44 23.924 15.616 -50.365 1.00 0.00 C ATOM 656 C GLY A 44 22.732 14.759 -49.943 1.00 0.00 C ATOM 657 O GLY A 44 22.650 13.583 -50.296 1.00 0.00 O ATOM 0 H GLY A 44 22.855 17.385 -50.742 1.00 0.00 H new ATOM 0 HA2 GLY A 44 24.168 15.415 -51.408 1.00 0.00 H new ATOM 0 HA3 GLY A 44 24.799 15.343 -49.774 1.00 0.00 H new ATOM 661 N SER A 45 21.810 15.350 -49.186 1.00 0.00 N ATOM 662 CA SER A 45 20.633 14.622 -48.727 1.00 0.00 C ATOM 663 C SER A 45 19.436 14.915 -49.626 1.00 0.00 C ATOM 664 O SER A 45 18.293 14.927 -49.170 1.00 0.00 O ATOM 665 CB SER A 45 20.302 15.019 -47.288 1.00 0.00 C ATOM 666 OG SER A 45 20.045 16.416 -47.234 1.00 0.00 O ATOM 0 H SER A 45 21.855 16.322 -48.881 1.00 0.00 H new ATOM 0 HA SER A 45 20.851 13.555 -48.768 1.00 0.00 H new ATOM 0 HB2 SER A 45 19.433 14.464 -46.936 1.00 0.00 H new ATOM 0 HB3 SER A 45 21.131 14.764 -46.628 1.00 0.00 H new ATOM 0 HG SER A 45 19.831 16.674 -46.313 1.00 0.00 H new ATOM 672 N ASN A 46 19.706 15.151 -50.906 1.00 0.00 N ATOM 673 CA ASN A 46 18.642 15.444 -51.860 1.00 0.00 C ATOM 674 C ASN A 46 18.208 14.177 -52.591 1.00 0.00 C ATOM 675 O ASN A 46 17.695 14.238 -53.708 1.00 0.00 O ATOM 676 CB ASN A 46 19.120 16.486 -52.874 1.00 0.00 C ATOM 677 CG ASN A 46 20.314 15.948 -53.656 1.00 0.00 C ATOM 678 OD1 ASN A 46 20.731 14.808 -53.451 1.00 0.00 O ATOM 679 ND2 ASN A 46 20.894 16.707 -54.546 1.00 0.00 N ATOM 0 H ASN A 46 20.645 15.145 -51.304 1.00 0.00 H new ATOM 0 HA ASN A 46 17.788 15.839 -51.310 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.310 16.736 -53.559 1.00 0.00 H new ATOM 0 HB3 ASN A 46 19.397 17.406 -52.359 1.00 0.00 H new ATOM 0 HD21 ASN A 46 21.694 16.356 -55.073 1.00 0.00 H new ATOM 0 HD22 ASN A 46 20.547 17.651 -54.715 1.00 0.00 H new ATOM 686 N THR A 47 18.415 13.029 -51.951 1.00 0.00 N ATOM 687 CA THR A 47 18.039 11.752 -52.548 1.00 0.00 C ATOM 688 C THR A 47 16.631 11.353 -52.115 1.00 0.00 C ATOM 689 O THR A 47 16.306 10.168 -52.038 1.00 0.00 O ATOM 690 CB THR A 47 19.032 10.667 -52.125 1.00 0.00 C ATOM 691 OG1 THR A 47 20.116 11.266 -51.428 1.00 0.00 O ATOM 692 CG2 THR A 47 19.558 9.942 -53.365 1.00 0.00 C ATOM 0 H THR A 47 18.838 12.957 -51.026 1.00 0.00 H new ATOM 0 HA THR A 47 18.057 11.858 -53.633 1.00 0.00 H new ATOM 0 HB THR A 47 18.532 9.950 -51.474 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.752 10.573 -51.155 1.00 0.00 H new ATOM 0 HG21 THR A 47 20.265 9.170 -53.062 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.726 9.483 -53.899 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.059 10.656 -54.019 1.00 0.00 H new ATOM 700 N TYR A 48 15.800 12.352 -51.830 1.00 0.00 N ATOM 701 CA TYR A 48 14.429 12.095 -51.403 1.00 0.00 C ATOM 702 C TYR A 48 13.432 12.570 -52.459 1.00 0.00 C ATOM 703 O TYR A 48 12.262 12.807 -52.158 1.00 0.00 O ATOM 704 CB TYR A 48 14.155 12.811 -50.077 1.00 0.00 C ATOM 705 CG TYR A 48 14.027 14.299 -50.315 1.00 0.00 C ATOM 706 CD1 TYR A 48 12.762 14.899 -50.331 1.00 0.00 C ATOM 707 CD2 TYR A 48 15.173 15.076 -50.522 1.00 0.00 C ATOM 708 CE1 TYR A 48 12.644 16.277 -50.553 1.00 0.00 C ATOM 709 CE2 TYR A 48 15.054 16.453 -50.744 1.00 0.00 C ATOM 710 CZ TYR A 48 13.790 17.054 -50.759 1.00 0.00 C ATOM 711 OH TYR A 48 13.673 18.411 -50.979 1.00 0.00 O ATOM 0 H TYR A 48 16.050 13.339 -51.886 1.00 0.00 H new ATOM 0 HA TYR A 48 14.307 11.020 -51.270 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.240 12.425 -49.627 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.964 12.614 -49.373 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.878 14.300 -50.172 1.00 0.00 H new ATOM 0 HD2 TYR A 48 16.149 14.613 -50.510 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.668 16.740 -50.565 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.938 17.052 -50.904 1.00 0.00 H new ATOM 0 HH TYR A 48 12.879 18.750 -50.515 1.00 0.00 H new ATOM 721 N GLY A 49 13.899 12.706 -53.698 1.00 0.00 N ATOM 722 CA GLY A 49 13.034 13.155 -54.784 1.00 0.00 C ATOM 723 C GLY A 49 11.733 12.360 -54.811 1.00 0.00 C ATOM 724 O GLY A 49 11.742 11.131 -54.743 1.00 0.00 O ATOM 0 H GLY A 49 14.862 12.514 -53.973 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.814 14.216 -54.663 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.552 13.043 -55.736 1.00 0.00 H new ATOM 728 N LYS A 50 10.615 13.073 -54.910 1.00 0.00 N ATOM 729 CA LYS A 50 9.307 12.427 -54.945 1.00 0.00 C ATOM 730 C LYS A 50 9.102 11.701 -56.271 1.00 0.00 C ATOM 731 O LYS A 50 8.370 10.714 -56.341 1.00 0.00 O ATOM 732 CB LYS A 50 8.205 13.472 -54.758 1.00 0.00 C ATOM 733 CG LYS A 50 8.252 14.011 -53.327 1.00 0.00 C ATOM 734 CD LYS A 50 7.036 14.905 -53.075 1.00 0.00 C ATOM 735 CE LYS A 50 7.177 16.202 -53.875 1.00 0.00 C ATOM 736 NZ LYS A 50 8.421 16.909 -53.458 1.00 0.00 N ATOM 0 H LYS A 50 10.588 14.091 -54.967 1.00 0.00 H new ATOM 0 HA LYS A 50 9.260 11.699 -54.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.337 14.287 -55.470 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.230 13.028 -54.959 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.262 13.184 -52.616 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.171 14.577 -53.171 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.123 14.385 -53.365 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.951 15.129 -52.012 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.211 15.982 -54.942 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.310 16.841 -53.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.323 17.927 -53.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.580 16.762 -52.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.230 16.533 -53.992 1.00 0.00 H new ATOM 750 N ARG A 51 9.748 12.199 -57.320 1.00 0.00 N ATOM 751 CA ARG A 51 9.625 11.590 -58.640 1.00 0.00 C ATOM 752 C ARG A 51 10.025 10.116 -58.601 1.00 0.00 C ATOM 753 O ARG A 51 9.678 9.349 -59.499 1.00 0.00 O ATOM 754 CB ARG A 51 10.506 12.336 -59.646 1.00 0.00 C ATOM 755 CG ARG A 51 11.982 12.054 -59.348 1.00 0.00 C ATOM 756 CD ARG A 51 12.859 12.927 -60.246 1.00 0.00 C ATOM 757 NE ARG A 51 14.271 12.637 -60.010 1.00 0.00 N ATOM 758 CZ ARG A 51 14.929 13.150 -58.968 1.00 0.00 C ATOM 759 NH1 ARG A 51 14.325 13.936 -58.113 1.00 0.00 N ATOM 760 NH2 ARG A 51 16.192 12.864 -58.800 1.00 0.00 N ATOM 0 H ARG A 51 10.357 13.016 -57.283 1.00 0.00 H new ATOM 0 HA ARG A 51 8.582 11.658 -58.949 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.263 12.021 -60.661 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.312 13.407 -59.590 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.198 12.260 -58.300 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.204 11.000 -59.518 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.613 12.746 -61.293 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.659 13.980 -60.049 1.00 0.00 H new ATOM 0 HE ARG A 51 14.767 12.026 -60.659 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.339 14.164 -58.238 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.841 14.321 -57.321 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.669 12.252 -59.463 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.702 13.252 -58.006 1.00 0.00 H new ATOM 774 N ASN A 52 10.750 9.722 -57.559 1.00 0.00 N ATOM 775 CA ASN A 52 11.179 8.335 -57.424 1.00 0.00 C ATOM 776 C ASN A 52 9.996 7.441 -57.066 1.00 0.00 C ATOM 777 O ASN A 52 9.924 6.290 -57.496 1.00 0.00 O ATOM 778 CB ASN A 52 12.256 8.220 -56.344 1.00 0.00 C ATOM 779 CG ASN A 52 12.705 6.769 -56.210 1.00 0.00 C ATOM 780 OD1 ASN A 52 13.383 6.244 -57.093 1.00 0.00 O ATOM 781 ND2 ASN A 52 12.362 6.086 -55.153 1.00 0.00 N ATOM 0 H ASN A 52 11.050 10.337 -56.803 1.00 0.00 H new ATOM 0 HA ASN A 52 11.591 8.008 -58.379 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.107 8.851 -56.599 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.867 8.579 -55.391 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.656 5.114 -55.056 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.800 6.524 -54.423 1.00 0.00 H new ATOM 788 N ALA A 53 9.072 7.976 -56.276 1.00 0.00 N ATOM 789 CA ALA A 53 7.897 7.215 -55.865 1.00 0.00 C ATOM 790 C ALA A 53 7.082 6.777 -57.079 1.00 0.00 C ATOM 791 O ALA A 53 6.605 5.644 -57.140 1.00 0.00 O ATOM 792 CB ALA A 53 7.022 8.066 -54.944 1.00 0.00 C ATOM 0 H ALA A 53 9.112 8.927 -55.909 1.00 0.00 H new ATOM 0 HA ALA A 53 8.235 6.326 -55.332 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.147 7.492 -54.641 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.593 8.350 -54.060 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.702 8.963 -55.473 1.00 0.00 H new ATOM 798 N VAL A 54 6.921 7.677 -58.041 1.00 0.00 N ATOM 799 CA VAL A 54 6.155 7.360 -59.242 1.00 0.00 C ATOM 800 C VAL A 54 6.844 6.255 -60.039 1.00 0.00 C ATOM 801 O VAL A 54 6.188 5.475 -60.730 1.00 0.00 O ATOM 802 CB VAL A 54 5.986 8.615 -60.108 1.00 0.00 C ATOM 803 CG1 VAL A 54 7.035 8.640 -61.224 1.00 0.00 C ATOM 804 CG2 VAL A 54 4.588 8.615 -60.730 1.00 0.00 C ATOM 0 H VAL A 54 7.305 8.622 -58.016 1.00 0.00 H new ATOM 0 HA VAL A 54 5.169 7.005 -58.942 1.00 0.00 H new ATOM 0 HB VAL A 54 6.117 9.497 -59.481 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.901 9.537 -61.829 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.033 8.644 -60.785 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.918 7.757 -61.853 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.464 9.505 -61.346 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.465 7.726 -61.348 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.838 8.614 -59.939 1.00 0.00 H new ATOM 814 N GLU A 55 8.168 6.198 -59.944 1.00 0.00 N ATOM 815 CA GLU A 55 8.936 5.190 -60.666 1.00 0.00 C ATOM 816 C GLU A 55 8.728 3.802 -60.064 1.00 0.00 C ATOM 817 O GLU A 55 8.493 2.834 -60.787 1.00 0.00 O ATOM 818 CB GLU A 55 10.425 5.544 -60.624 1.00 0.00 C ATOM 819 CG GLU A 55 10.675 6.814 -61.441 1.00 0.00 C ATOM 820 CD GLU A 55 10.337 6.570 -62.908 1.00 0.00 C ATOM 821 OE1 GLU A 55 10.783 5.567 -63.439 1.00 0.00 O ATOM 822 OE2 GLU A 55 9.637 7.390 -63.478 1.00 0.00 O ATOM 0 H GLU A 55 8.729 6.834 -59.378 1.00 0.00 H new ATOM 0 HA GLU A 55 8.587 5.175 -61.699 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.744 5.694 -59.593 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.016 4.720 -61.024 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.068 7.631 -61.051 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.718 7.117 -61.346 1.00 0.00 H new ATOM 829 N VAL A 56 8.828 3.707 -58.742 1.00 0.00 N ATOM 830 CA VAL A 56 8.661 2.422 -58.068 1.00 0.00 C ATOM 831 C VAL A 56 7.195 1.993 -58.055 1.00 0.00 C ATOM 832 O VAL A 56 6.895 0.799 -58.083 1.00 0.00 O ATOM 833 CB VAL A 56 9.200 2.502 -56.634 1.00 0.00 C ATOM 834 CG1 VAL A 56 8.103 2.990 -55.686 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.671 1.114 -56.193 1.00 0.00 C ATOM 0 H VAL A 56 9.021 4.493 -58.122 1.00 0.00 H new ATOM 0 HA VAL A 56 9.229 1.674 -58.622 1.00 0.00 H new ATOM 0 HB VAL A 56 10.034 3.203 -56.604 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.496 3.043 -54.671 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.767 3.979 -55.997 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.263 2.296 -55.714 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.055 1.167 -55.174 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.834 0.417 -56.230 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.460 0.768 -56.861 1.00 0.00 H new ATOM 845 N LEU A 57 6.283 2.961 -58.011 1.00 0.00 N ATOM 846 CA LEU A 57 4.858 2.647 -57.992 1.00 0.00 C ATOM 847 C LEU A 57 4.435 1.956 -59.285 1.00 0.00 C ATOM 848 O LEU A 57 3.673 0.989 -59.256 1.00 0.00 O ATOM 849 CB LEU A 57 4.036 3.924 -57.803 1.00 0.00 C ATOM 850 CG LEU A 57 3.536 4.000 -56.359 1.00 0.00 C ATOM 851 CD1 LEU A 57 4.688 4.404 -55.436 1.00 0.00 C ATOM 852 CD2 LEU A 57 2.416 5.039 -56.262 1.00 0.00 C ATOM 0 H LEU A 57 6.502 3.957 -57.988 1.00 0.00 H new ATOM 0 HA LEU A 57 4.674 1.971 -57.157 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.644 4.798 -58.035 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.192 3.931 -58.492 1.00 0.00 H new ATOM 0 HG LEU A 57 3.156 3.024 -56.056 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.329 4.457 -54.408 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.485 3.664 -55.504 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.071 5.379 -55.738 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.059 5.094 -55.234 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.797 6.014 -56.567 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.594 4.750 -56.917 1.00 0.00 H new ATOM 864 N LYS A 58 4.927 2.450 -60.416 1.00 0.00 N ATOM 865 CA LYS A 58 4.579 1.855 -61.702 1.00 0.00 C ATOM 866 C LYS A 58 5.174 0.455 -61.819 1.00 0.00 C ATOM 867 O LYS A 58 4.537 -0.459 -62.342 1.00 0.00 O ATOM 868 CB LYS A 58 5.091 2.733 -62.846 1.00 0.00 C ATOM 869 CG LYS A 58 4.254 4.012 -62.926 1.00 0.00 C ATOM 870 CD LYS A 58 2.915 3.706 -63.598 1.00 0.00 C ATOM 871 CE LYS A 58 2.146 5.009 -63.824 1.00 0.00 C ATOM 872 NZ LYS A 58 1.744 5.582 -62.508 1.00 0.00 N ATOM 0 H LYS A 58 5.559 3.249 -60.470 1.00 0.00 H new ATOM 0 HA LYS A 58 3.493 1.783 -61.766 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.140 2.982 -62.685 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.034 2.189 -63.789 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.088 4.413 -61.926 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.790 4.775 -63.490 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.081 3.200 -64.549 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.330 3.030 -62.975 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.767 5.721 -64.368 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.264 4.822 -64.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.043 6.336 -62.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.328 4.834 -61.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.580 5.976 -62.031 1.00 0.00 H new ATOM 886 N ARG A 59 6.398 0.296 -61.326 1.00 0.00 N ATOM 887 CA ARG A 59 7.070 -0.997 -61.376 1.00 0.00 C ATOM 888 C ARG A 59 6.283 -2.040 -60.588 1.00 0.00 C ATOM 889 O ARG A 59 6.382 -3.238 -60.853 1.00 0.00 O ATOM 890 CB ARG A 59 8.481 -0.874 -60.798 1.00 0.00 C ATOM 891 CG ARG A 59 9.302 -2.106 -61.186 1.00 0.00 C ATOM 892 CD ARG A 59 9.386 -3.059 -59.993 1.00 0.00 C ATOM 893 NE ARG A 59 10.194 -4.226 -60.335 1.00 0.00 N ATOM 894 CZ ARG A 59 10.423 -5.204 -59.456 1.00 0.00 C ATOM 895 NH1 ARG A 59 9.926 -5.148 -58.246 1.00 0.00 N ATOM 896 NH2 ARG A 59 11.151 -6.229 -59.807 1.00 0.00 N ATOM 0 H ARG A 59 6.942 1.041 -60.890 1.00 0.00 H new ATOM 0 HA ARG A 59 7.131 -1.315 -62.417 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.962 0.029 -61.174 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.434 -0.782 -59.713 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.842 -2.610 -62.036 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.303 -1.806 -61.497 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.822 -2.544 -59.137 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.385 -3.374 -59.699 1.00 0.00 H new ATOM 0 HE ARG A 59 10.594 -4.296 -61.271 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.356 -4.350 -57.965 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.109 -5.902 -57.584 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.541 -6.279 -60.748 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.330 -6.980 -59.140 1.00 0.00 H new ATOM 910 N GLU A 60 5.501 -1.575 -59.617 1.00 0.00 N ATOM 911 CA GLU A 60 4.700 -2.474 -58.795 1.00 0.00 C ATOM 912 C GLU A 60 3.221 -2.363 -59.165 1.00 0.00 C ATOM 913 O GLU A 60 2.459 -1.676 -58.486 1.00 0.00 O ATOM 914 CB GLU A 60 4.880 -2.120 -57.317 1.00 0.00 C ATOM 915 CG GLU A 60 6.312 -2.442 -56.884 1.00 0.00 C ATOM 916 CD GLU A 60 6.522 -3.952 -56.863 1.00 0.00 C ATOM 917 OE1 GLU A 60 5.535 -4.668 -56.883 1.00 0.00 O ATOM 918 OE2 GLU A 60 7.668 -4.370 -56.827 1.00 0.00 O ATOM 0 H GLU A 60 5.406 -0.587 -59.382 1.00 0.00 H new ATOM 0 HA GLU A 60 5.034 -3.496 -58.973 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.670 -1.062 -57.158 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.170 -2.681 -56.709 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.021 -1.977 -57.569 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.504 -2.026 -55.895 1.00 0.00 H new ATOM 925 N PRO A 61 2.801 -3.017 -60.222 1.00 0.00 N ATOM 926 CA PRO A 61 1.377 -2.976 -60.675 1.00 0.00 C ATOM 927 C PRO A 61 0.414 -3.572 -59.648 1.00 0.00 C ATOM 928 O PRO A 61 -0.803 -3.459 -59.791 1.00 0.00 O ATOM 929 CB PRO A 61 1.370 -3.795 -61.971 1.00 0.00 C ATOM 930 CG PRO A 61 2.604 -4.633 -61.929 1.00 0.00 C ATOM 931 CD PRO A 61 3.627 -3.862 -61.099 1.00 0.00 C ATOM 0 HA PRO A 61 1.034 -1.951 -60.814 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.477 -4.417 -62.036 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.369 -3.144 -62.845 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.397 -5.606 -61.483 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.981 -4.818 -62.935 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.264 -4.534 -60.523 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.284 -3.263 -61.729 1.00 0.00 H new ATOM 939 N LEU A 62 0.960 -4.202 -58.611 1.00 0.00 N ATOM 940 CA LEU A 62 0.127 -4.800 -57.576 1.00 0.00 C ATOM 941 C LEU A 62 -0.763 -3.740 -56.934 1.00 0.00 C ATOM 942 O LEU A 62 -1.944 -3.979 -56.683 1.00 0.00 O ATOM 943 CB LEU A 62 1.005 -5.455 -56.508 1.00 0.00 C ATOM 944 CG LEU A 62 0.128 -6.271 -55.557 1.00 0.00 C ATOM 945 CD1 LEU A 62 0.863 -7.551 -55.155 1.00 0.00 C ATOM 946 CD2 LEU A 62 -0.175 -5.444 -54.306 1.00 0.00 C ATOM 0 H LEU A 62 1.964 -4.310 -58.467 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.505 -5.561 -58.035 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.748 -6.100 -56.978 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.550 -4.692 -55.952 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.805 -6.530 -56.057 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.238 -8.132 -54.477 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.079 -8.141 -56.045 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.797 -7.293 -54.655 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.800 -6.025 -53.628 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.758 -5.185 -53.806 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.700 -4.532 -54.591 1.00 0.00 H new ATOM 958 N ASN A 63 -0.192 -2.568 -56.671 1.00 0.00 N ATOM 959 CA ASN A 63 -0.952 -1.483 -56.060 1.00 0.00 C ATOM 960 C ASN A 63 -1.887 -0.826 -57.078 1.00 0.00 C ATOM 961 O ASN A 63 -2.767 -0.048 -56.708 1.00 0.00 O ATOM 962 CB ASN A 63 0.002 -0.433 -55.485 1.00 0.00 C ATOM 963 CG ASN A 63 0.662 0.355 -56.613 1.00 0.00 C ATOM 964 OD1 ASN A 63 0.658 -0.081 -57.763 1.00 0.00 O ATOM 965 ND2 ASN A 63 1.233 1.499 -56.348 1.00 0.00 N ATOM 0 H ASN A 63 0.784 -2.347 -56.869 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.557 -1.904 -55.257 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.545 0.245 -54.830 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.765 -0.919 -54.876 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.677 2.033 -57.095 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.235 1.859 -55.394 1.00 0.00 H new ATOM 972 N TYR A 64 -1.696 -1.140 -58.359 1.00 0.00 N ATOM 973 CA TYR A 64 -2.532 -0.570 -59.410 1.00 0.00 C ATOM 974 C TYR A 64 -3.912 -1.220 -59.406 1.00 0.00 C ATOM 975 O TYR A 64 -4.922 -0.559 -59.648 1.00 0.00 O ATOM 976 CB TYR A 64 -1.872 -0.782 -60.774 1.00 0.00 C ATOM 977 CG TYR A 64 -2.632 -0.012 -61.828 1.00 0.00 C ATOM 978 CD1 TYR A 64 -2.395 1.357 -62.001 1.00 0.00 C ATOM 979 CD2 TYR A 64 -3.572 -0.668 -62.632 1.00 0.00 C ATOM 980 CE1 TYR A 64 -3.099 2.070 -62.979 1.00 0.00 C ATOM 981 CE2 TYR A 64 -4.275 0.045 -63.609 1.00 0.00 C ATOM 982 CZ TYR A 64 -4.039 1.414 -63.783 1.00 0.00 C ATOM 983 OH TYR A 64 -4.733 2.117 -64.747 1.00 0.00 O ATOM 0 H TYR A 64 -0.975 -1.781 -58.690 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.643 0.498 -59.222 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.834 -0.449 -60.743 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.859 -1.843 -61.022 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.670 1.863 -61.381 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.754 -1.724 -62.498 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.917 3.126 -63.113 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.000 -0.461 -64.229 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.345 1.512 -65.216 1.00 0.00 H new ATOM 993 N LEU A 65 -3.945 -2.520 -59.131 1.00 0.00 N ATOM 994 CA LEU A 65 -5.205 -3.253 -59.099 1.00 0.00 C ATOM 995 C LEU A 65 -6.022 -2.851 -57.870 1.00 0.00 C ATOM 996 O LEU A 65 -5.471 -2.336 -56.896 1.00 0.00 O ATOM 997 CB LEU A 65 -4.928 -4.758 -59.064 1.00 0.00 C ATOM 998 CG LEU A 65 -4.264 -5.189 -60.374 1.00 0.00 C ATOM 999 CD1 LEU A 65 -3.746 -6.622 -60.235 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -5.288 -5.126 -61.511 1.00 0.00 C ATOM 0 H LEU A 65 -3.120 -3.084 -58.928 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.775 -3.010 -59.996 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.281 -4.999 -58.220 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.859 -5.306 -58.919 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.432 -4.521 -60.596 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.273 -6.930 -61.167 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.017 -6.669 -59.426 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.578 -7.290 -60.013 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.815 -5.433 -62.444 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.120 -5.794 -61.289 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.659 -4.106 -61.611 1.00 0.00 H new