USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 ASN : amide:sc= -1.34 K(o=-1.3,f=-7.8!) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0.0279 USER MOD Set 2.1: A 41 THR OG1 : rot 23:sc= 0.747 USER MOD Set 2.2: A 45 SER OG : rot 11:sc= 0.259 USER MOD Set 3.1: A 30 SER OG : rot 158:sc= 0.172 USER MOD Set 3.2: A 33 ASN : amide:sc= -0.021 K(o=0.15,f=-1.8!) USER MOD Set 4.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.312 K(o=-0.31,f=-4.5!) USER MOD Single : A 39 SER OG : rot 68:sc= 1.25 USER MOD Single : A 40 SER OG : rot 84:sc= 0.0209 USER MOD Single : A 42 ASN : amide:sc= -0.696 K(o=-0.7,f=-5.2!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.313 (180deg=-1.12) USER MOD Single : A 52 ASN : amide:sc= 0.683 K(o=0.68,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.209) USER MOD Single : A 63 ASN : amide:sc= -1.57 K(o=-1.6,f=-5.3!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 20.810 5.342 -14.731 1.00 0.00 N ATOM 211 CA CYS A 13 20.089 5.098 -15.975 1.00 0.00 C ATOM 212 C CYS A 13 20.743 3.969 -16.764 1.00 0.00 C ATOM 213 O CYS A 13 21.681 4.196 -17.529 1.00 0.00 O ATOM 214 CB CYS A 13 20.069 6.369 -16.824 1.00 0.00 C ATOM 215 SG CYS A 13 18.369 6.972 -16.971 1.00 0.00 S ATOM 0 HA CYS A 13 19.068 4.808 -15.728 1.00 0.00 H new ATOM 0 HB2 CYS A 13 20.699 7.133 -16.368 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.480 6.165 -17.813 1.00 0.00 H new ATOM 220 N ASN A 14 20.243 2.752 -16.575 1.00 0.00 N ATOM 221 CA ASN A 14 20.787 1.594 -17.277 1.00 0.00 C ATOM 222 C ASN A 14 19.686 0.844 -18.026 1.00 0.00 C ATOM 223 O ASN A 14 19.892 0.386 -19.150 1.00 0.00 O ATOM 224 CB ASN A 14 21.465 0.651 -16.280 1.00 0.00 C ATOM 225 CG ASN A 14 20.424 0.035 -15.350 1.00 0.00 C ATOM 226 OD1 ASN A 14 19.753 -0.928 -15.719 1.00 0.00 O ATOM 227 ND2 ASN A 14 20.249 0.537 -14.158 1.00 0.00 N ATOM 0 H ASN A 14 19.468 2.542 -15.946 1.00 0.00 H new ATOM 0 HA ASN A 14 21.521 1.947 -18.002 1.00 0.00 H new ATOM 0 HB2 ASN A 14 21.997 -0.136 -16.815 1.00 0.00 H new ATOM 0 HB3 ASN A 14 22.207 1.197 -15.697 1.00 0.00 H new ATOM 0 HD21 ASN A 14 19.555 0.131 -13.530 1.00 0.00 H new ATOM 0 HD22 ASN A 14 20.806 1.335 -13.854 1.00 0.00 H new ATOM 234 N THR A 15 18.520 0.715 -17.397 1.00 0.00 N ATOM 235 CA THR A 15 17.401 0.011 -18.016 1.00 0.00 C ATOM 236 C THR A 15 17.098 0.581 -19.400 1.00 0.00 C ATOM 237 O THR A 15 17.360 1.752 -19.673 1.00 0.00 O ATOM 238 CB THR A 15 16.159 0.118 -17.128 1.00 0.00 C ATOM 239 OG1 THR A 15 15.127 -0.700 -17.661 1.00 0.00 O ATOM 240 CG2 THR A 15 15.684 1.570 -17.076 1.00 0.00 C ATOM 0 H THR A 15 18.327 1.086 -16.467 1.00 0.00 H new ATOM 0 HA THR A 15 17.677 -1.038 -18.127 1.00 0.00 H new ATOM 0 HB THR A 15 16.406 -0.215 -16.120 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.331 -0.634 -17.093 1.00 0.00 H new ATOM 0 HG21 THR A 15 14.800 1.641 -16.443 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.475 2.197 -16.666 1.00 0.00 H new ATOM 0 HG23 THR A 15 15.438 1.909 -18.082 1.00 0.00 H new ATOM 248 N ALA A 16 16.552 -0.265 -20.269 1.00 0.00 N ATOM 249 CA ALA A 16 16.221 0.148 -21.630 1.00 0.00 C ATOM 250 C ALA A 16 15.167 1.254 -21.635 1.00 0.00 C ATOM 251 O ALA A 16 15.018 1.973 -22.623 1.00 0.00 O ATOM 252 CB ALA A 16 15.701 -1.052 -22.424 1.00 0.00 C ATOM 0 H ALA A 16 16.330 -1.238 -20.056 1.00 0.00 H new ATOM 0 HA ALA A 16 17.128 0.536 -22.093 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.456 -0.738 -23.439 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.468 -1.825 -22.459 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.808 -1.449 -21.941 1.00 0.00 H new ATOM 258 N THR A 17 14.436 1.386 -20.532 1.00 0.00 N ATOM 259 CA THR A 17 13.400 2.410 -20.436 1.00 0.00 C ATOM 260 C THR A 17 14.015 3.806 -20.484 1.00 0.00 C ATOM 261 O THR A 17 13.444 4.727 -21.068 1.00 0.00 O ATOM 262 CB THR A 17 12.614 2.241 -19.134 1.00 0.00 C ATOM 263 OG1 THR A 17 12.014 0.953 -19.109 1.00 0.00 O ATOM 264 CG2 THR A 17 11.526 3.313 -19.051 1.00 0.00 C ATOM 0 H THR A 17 14.539 0.804 -19.701 1.00 0.00 H new ATOM 0 HA THR A 17 12.726 2.294 -21.284 1.00 0.00 H new ATOM 0 HB THR A 17 13.290 2.345 -18.285 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.512 0.842 -18.275 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.966 3.192 -18.123 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.986 4.301 -19.071 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.849 3.211 -19.899 1.00 0.00 H new ATOM 272 N CYS A 18 15.180 3.958 -19.864 1.00 0.00 N ATOM 273 CA CYS A 18 15.859 5.248 -19.841 1.00 0.00 C ATOM 274 C CYS A 18 16.160 5.723 -21.259 1.00 0.00 C ATOM 275 O CYS A 18 15.932 6.883 -21.596 1.00 0.00 O ATOM 276 CB CYS A 18 17.163 5.136 -19.050 1.00 0.00 C ATOM 277 SG CYS A 18 17.940 6.766 -18.935 1.00 0.00 S ATOM 0 H CYS A 18 15.671 3.210 -19.374 1.00 0.00 H new ATOM 0 HA CYS A 18 15.203 5.974 -19.360 1.00 0.00 H new ATOM 0 HB2 CYS A 18 16.963 4.745 -18.052 1.00 0.00 H new ATOM 0 HB3 CYS A 18 17.838 4.433 -19.538 1.00 0.00 H new ATOM 282 N ALA A 19 16.675 4.819 -22.085 1.00 0.00 N ATOM 283 CA ALA A 19 17.006 5.160 -23.464 1.00 0.00 C ATOM 284 C ALA A 19 15.756 5.587 -24.230 1.00 0.00 C ATOM 285 O ALA A 19 15.802 6.507 -25.045 1.00 0.00 O ATOM 286 CB ALA A 19 17.647 3.958 -24.159 1.00 0.00 C ATOM 0 H ALA A 19 16.871 3.852 -21.827 1.00 0.00 H new ATOM 0 HA ALA A 19 17.710 5.992 -23.452 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.891 4.221 -25.188 1.00 0.00 H new ATOM 0 HB2 ALA A 19 18.558 3.675 -23.631 1.00 0.00 H new ATOM 0 HB3 ALA A 19 16.950 3.120 -24.154 1.00 0.00 H new ATOM 292 N THR A 20 14.646 4.903 -23.971 1.00 0.00 N ATOM 293 CA THR A 20 13.388 5.206 -24.649 1.00 0.00 C ATOM 294 C THR A 20 13.101 6.706 -24.646 1.00 0.00 C ATOM 295 O THR A 20 12.678 7.264 -25.658 1.00 0.00 O ATOM 296 CB THR A 20 12.237 4.472 -23.958 1.00 0.00 C ATOM 297 OG1 THR A 20 12.519 3.079 -23.925 1.00 0.00 O ATOM 298 CG2 THR A 20 10.940 4.713 -24.731 1.00 0.00 C ATOM 0 H THR A 20 14.591 4.138 -23.299 1.00 0.00 H new ATOM 0 HA THR A 20 13.477 4.873 -25.683 1.00 0.00 H new ATOM 0 HB THR A 20 12.125 4.845 -22.940 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.784 2.607 -23.481 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.120 4.190 -24.238 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.725 5.781 -24.757 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.049 4.340 -25.749 1.00 0.00 H new ATOM 306 N GLN A 21 13.320 7.353 -23.506 1.00 0.00 N ATOM 307 CA GLN A 21 13.065 8.787 -23.399 1.00 0.00 C ATOM 308 C GLN A 21 14.180 9.593 -24.061 1.00 0.00 C ATOM 309 O GLN A 21 13.958 10.715 -24.516 1.00 0.00 O ATOM 310 CB GLN A 21 12.933 9.190 -21.926 1.00 0.00 C ATOM 311 CG GLN A 21 14.280 9.691 -21.396 1.00 0.00 C ATOM 312 CD GLN A 21 14.242 9.771 -19.874 1.00 0.00 C ATOM 313 OE1 GLN A 21 13.334 10.379 -19.306 1.00 0.00 O ATOM 314 NE2 GLN A 21 15.179 9.191 -19.175 1.00 0.00 N ATOM 0 H GLN A 21 13.669 6.915 -22.653 1.00 0.00 H new ATOM 0 HA GLN A 21 12.131 9.005 -23.917 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.179 9.970 -21.820 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.595 8.338 -21.336 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.078 9.020 -21.714 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.503 10.672 -21.815 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.930 8.688 -19.647 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.160 9.241 -18.156 1.00 0.00 H new ATOM 323 N ARG A 22 15.378 9.019 -24.112 1.00 0.00 N ATOM 324 CA ARG A 22 16.513 9.704 -24.722 1.00 0.00 C ATOM 325 C ARG A 22 16.324 9.812 -26.234 1.00 0.00 C ATOM 326 O ARG A 22 16.467 10.890 -26.811 1.00 0.00 O ATOM 327 CB ARG A 22 17.810 8.946 -24.409 1.00 0.00 C ATOM 328 CG ARG A 22 18.993 9.593 -25.140 1.00 0.00 C ATOM 329 CD ARG A 22 19.148 11.048 -24.692 1.00 0.00 C ATOM 330 NE ARG A 22 19.215 11.123 -23.235 1.00 0.00 N ATOM 331 CZ ARG A 22 20.335 10.836 -22.568 1.00 0.00 C ATOM 332 NH1 ARG A 22 21.420 10.474 -23.204 1.00 0.00 N ATOM 333 NH2 ARG A 22 20.348 10.918 -21.266 1.00 0.00 N ATOM 0 H ARG A 22 15.587 8.091 -23.743 1.00 0.00 H new ATOM 0 HA ARG A 22 16.576 10.710 -24.307 1.00 0.00 H new ATOM 0 HB2 ARG A 22 17.991 8.950 -23.334 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.712 7.904 -24.712 1.00 0.00 H new ATOM 0 HG2 ARG A 22 19.908 9.039 -24.931 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.834 9.550 -26.217 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.051 11.476 -25.127 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.308 11.640 -25.056 1.00 0.00 H new ATOM 0 HE ARG A 22 18.384 11.402 -22.713 1.00 0.00 H new ATOM 0 HH11 ARG A 22 21.417 10.408 -24.222 1.00 0.00 H new ATOM 0 HH12 ARG A 22 22.269 10.258 -22.682 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.506 11.200 -20.764 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.200 10.700 -20.750 1.00 0.00 H new ATOM 347 N LEU A 23 16.006 8.689 -26.868 1.00 0.00 N ATOM 348 CA LEU A 23 15.805 8.673 -28.312 1.00 0.00 C ATOM 349 C LEU A 23 14.517 9.401 -28.684 1.00 0.00 C ATOM 350 O LEU A 23 14.422 10.002 -29.754 1.00 0.00 O ATOM 351 CB LEU A 23 15.762 7.232 -28.829 1.00 0.00 C ATOM 352 CG LEU A 23 14.554 6.502 -28.241 1.00 0.00 C ATOM 353 CD1 LEU A 23 13.432 6.449 -29.280 1.00 0.00 C ATOM 354 CD2 LEU A 23 14.959 5.076 -27.858 1.00 0.00 C ATOM 0 H LEU A 23 15.883 7.786 -26.410 1.00 0.00 H new ATOM 0 HA LEU A 23 16.643 9.190 -28.779 1.00 0.00 H new ATOM 0 HB2 LEU A 23 15.705 7.229 -29.917 1.00 0.00 H new ATOM 0 HB3 LEU A 23 16.680 6.711 -28.556 1.00 0.00 H new ATOM 0 HG LEU A 23 14.204 7.034 -27.356 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.571 5.928 -28.860 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.143 7.463 -29.556 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.781 5.917 -30.165 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.099 4.554 -27.439 1.00 0.00 H new ATOM 0 HD22 LEU A 23 15.308 4.546 -28.744 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.759 5.111 -27.118 1.00 0.00 H new ATOM 366 N ALA A 24 13.525 9.341 -27.799 1.00 0.00 N ATOM 367 CA ALA A 24 12.249 9.997 -28.058 1.00 0.00 C ATOM 368 C ALA A 24 12.456 11.485 -28.320 1.00 0.00 C ATOM 369 O ALA A 24 11.935 12.031 -29.292 1.00 0.00 O ATOM 370 CB ALA A 24 11.315 9.812 -26.861 1.00 0.00 C ATOM 0 H ALA A 24 13.580 8.850 -26.906 1.00 0.00 H new ATOM 0 HA ALA A 24 11.800 9.543 -28.942 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.364 10.305 -27.062 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.144 8.749 -26.694 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.770 10.251 -25.973 1.00 0.00 H new ATOM 376 N ASN A 25 13.217 12.139 -27.448 1.00 0.00 N ATOM 377 CA ASN A 25 13.480 13.564 -27.603 1.00 0.00 C ATOM 378 C ASN A 25 14.326 13.820 -28.847 1.00 0.00 C ATOM 379 O ASN A 25 14.099 14.785 -29.578 1.00 0.00 O ATOM 380 CB ASN A 25 14.211 14.096 -26.368 1.00 0.00 C ATOM 381 CG ASN A 25 14.377 15.608 -26.470 1.00 0.00 C ATOM 382 OD1 ASN A 25 13.393 16.333 -26.616 1.00 0.00 O ATOM 383 ND2 ASN A 25 15.571 16.131 -26.401 1.00 0.00 N ATOM 0 H ASN A 25 13.658 11.710 -26.635 1.00 0.00 H new ATOM 0 HA ASN A 25 12.527 14.082 -27.713 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.651 13.843 -25.467 1.00 0.00 H new ATOM 0 HB3 ASN A 25 15.188 13.620 -26.280 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.690 17.142 -26.468 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.385 15.529 -26.280 1.00 0.00 H new ATOM 390 N PHE A 26 15.303 12.949 -29.076 1.00 0.00 N ATOM 391 CA PHE A 26 16.185 13.084 -30.230 1.00 0.00 C ATOM 392 C PHE A 26 15.398 12.973 -31.533 1.00 0.00 C ATOM 393 O PHE A 26 15.796 13.528 -32.556 1.00 0.00 O ATOM 394 CB PHE A 26 17.264 12.001 -30.190 1.00 0.00 C ATOM 395 CG PHE A 26 18.233 12.213 -31.328 1.00 0.00 C ATOM 396 CD1 PHE A 26 19.244 13.175 -31.217 1.00 0.00 C ATOM 397 CD2 PHE A 26 18.120 11.448 -32.495 1.00 0.00 C ATOM 398 CE1 PHE A 26 20.143 13.372 -32.273 1.00 0.00 C ATOM 399 CE2 PHE A 26 19.019 11.644 -33.551 1.00 0.00 C ATOM 400 CZ PHE A 26 20.030 12.606 -33.439 1.00 0.00 C ATOM 0 H PHE A 26 15.504 12.145 -28.481 1.00 0.00 H new ATOM 0 HA PHE A 26 16.652 14.068 -30.189 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.793 12.034 -29.237 1.00 0.00 H new ATOM 0 HB3 PHE A 26 16.807 11.014 -30.267 1.00 0.00 H new ATOM 0 HD1 PHE A 26 19.331 13.765 -30.317 1.00 0.00 H new ATOM 0 HD2 PHE A 26 17.339 10.707 -32.581 1.00 0.00 H new ATOM 0 HE1 PHE A 26 20.923 14.114 -32.188 1.00 0.00 H new ATOM 0 HE2 PHE A 26 18.932 11.053 -34.451 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.723 12.757 -34.253 1.00 0.00 H new ATOM 410 N LEU A 27 14.285 12.248 -31.492 1.00 0.00 N ATOM 411 CA LEU A 27 13.458 12.070 -32.680 1.00 0.00 C ATOM 412 C LEU A 27 12.874 13.411 -33.124 1.00 0.00 C ATOM 413 O LEU A 27 13.146 13.884 -34.227 1.00 0.00 O ATOM 414 CB LEU A 27 12.329 11.067 -32.362 1.00 0.00 C ATOM 415 CG LEU A 27 11.354 10.874 -33.546 1.00 0.00 C ATOM 416 CD1 LEU A 27 10.236 11.929 -33.501 1.00 0.00 C ATOM 417 CD2 LEU A 27 12.094 10.957 -34.889 1.00 0.00 C ATOM 0 H LEU A 27 13.937 11.778 -30.656 1.00 0.00 H new ATOM 0 HA LEU A 27 14.068 11.680 -33.495 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.767 10.105 -32.096 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.773 11.415 -31.492 1.00 0.00 H new ATOM 0 HG LEU A 27 10.912 9.882 -33.455 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.559 11.778 -34.342 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.682 11.832 -32.567 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.673 12.926 -33.562 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.384 10.818 -35.705 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.568 11.934 -34.983 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.855 10.178 -34.934 1.00 0.00 H new ATOM 429 N VAL A 28 12.068 14.018 -32.256 1.00 0.00 N ATOM 430 CA VAL A 28 11.446 15.301 -32.572 1.00 0.00 C ATOM 431 C VAL A 28 12.475 16.431 -32.583 1.00 0.00 C ATOM 432 O VAL A 28 12.228 17.500 -33.141 1.00 0.00 O ATOM 433 CB VAL A 28 10.353 15.619 -31.548 1.00 0.00 C ATOM 434 CG1 VAL A 28 9.335 14.477 -31.511 1.00 0.00 C ATOM 435 CG2 VAL A 28 10.983 15.787 -30.163 1.00 0.00 C ATOM 0 H VAL A 28 11.832 13.646 -31.336 1.00 0.00 H new ATOM 0 HA VAL A 28 11.009 15.223 -33.568 1.00 0.00 H new ATOM 0 HB VAL A 28 9.849 16.543 -31.833 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.558 14.706 -30.781 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.884 14.359 -32.496 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.837 13.551 -31.229 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.205 16.013 -29.434 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.489 14.864 -29.879 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.705 16.603 -30.188 1.00 0.00 H new ATOM 445 N HIS A 29 13.627 16.192 -31.960 1.00 0.00 N ATOM 446 CA HIS A 29 14.677 17.203 -31.903 1.00 0.00 C ATOM 447 C HIS A 29 15.503 17.202 -33.185 1.00 0.00 C ATOM 448 O HIS A 29 15.915 18.255 -33.671 1.00 0.00 O ATOM 449 CB HIS A 29 15.592 16.937 -30.706 1.00 0.00 C ATOM 450 CG HIS A 29 16.665 17.989 -30.651 1.00 0.00 C ATOM 451 ND1 HIS A 29 16.399 19.299 -30.283 1.00 0.00 N ATOM 452 CD2 HIS A 29 18.012 17.941 -30.915 1.00 0.00 C ATOM 453 CE1 HIS A 29 17.559 19.979 -30.335 1.00 0.00 C ATOM 454 NE2 HIS A 29 18.574 19.198 -30.714 1.00 0.00 N ATOM 0 H HIS A 29 13.855 15.315 -31.492 1.00 0.00 H new ATOM 0 HA HIS A 29 14.205 18.179 -31.793 1.00 0.00 H new ATOM 0 HB2 HIS A 29 15.012 16.945 -29.783 1.00 0.00 H new ATOM 0 HB3 HIS A 29 16.042 15.948 -30.791 1.00 0.00 H new ATOM 0 HD2 HIS A 29 18.553 17.061 -31.231 1.00 0.00 H new ATOM 0 HE1 HIS A 29 17.657 21.028 -30.099 1.00 0.00 H new ATOM 0 HE2 HIS A 29 19.551 19.466 -30.831 1.00 0.00 H new ATOM 463 N SER A 30 15.749 16.013 -33.723 1.00 0.00 N ATOM 464 CA SER A 30 16.535 15.870 -34.943 1.00 0.00 C ATOM 465 C SER A 30 15.637 15.629 -36.153 1.00 0.00 C ATOM 466 O SER A 30 16.099 15.142 -37.184 1.00 0.00 O ATOM 467 CB SER A 30 17.499 14.694 -34.793 1.00 0.00 C ATOM 468 OG SER A 30 18.725 15.005 -35.443 1.00 0.00 O ATOM 0 H SER A 30 15.415 15.132 -33.333 1.00 0.00 H new ATOM 0 HA SER A 30 17.089 16.795 -35.101 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.676 14.487 -33.738 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.063 13.794 -35.226 1.00 0.00 H new ATOM 0 HG SER A 30 19.442 14.451 -35.071 1.00 0.00 H new ATOM 474 N SER A 31 14.357 15.966 -36.030 1.00 0.00 N ATOM 475 CA SER A 31 13.427 15.768 -37.136 1.00 0.00 C ATOM 476 C SER A 31 13.937 16.481 -38.385 1.00 0.00 C ATOM 477 O SER A 31 13.999 15.895 -39.466 1.00 0.00 O ATOM 478 CB SER A 31 12.045 16.305 -36.763 1.00 0.00 C ATOM 479 OG SER A 31 11.160 16.123 -37.861 1.00 0.00 O ATOM 0 H SER A 31 13.945 16.371 -35.190 1.00 0.00 H new ATOM 0 HA SER A 31 13.351 14.700 -37.342 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.665 15.785 -35.884 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.110 17.362 -36.504 1.00 0.00 H new ATOM 0 HG SER A 31 10.272 16.465 -37.626 1.00 0.00 H new ATOM 485 N ASN A 32 14.306 17.747 -38.223 1.00 0.00 N ATOM 486 CA ASN A 32 14.816 18.532 -39.341 1.00 0.00 C ATOM 487 C ASN A 32 15.925 17.768 -40.056 1.00 0.00 C ATOM 488 O ASN A 32 15.865 17.552 -41.265 1.00 0.00 O ATOM 489 CB ASN A 32 15.354 19.874 -38.840 1.00 0.00 C ATOM 490 CG ASN A 32 16.143 19.671 -37.552 1.00 0.00 C ATOM 491 OD1 ASN A 32 15.567 19.342 -36.515 1.00 0.00 O ATOM 492 ND2 ASN A 32 17.436 19.847 -37.555 1.00 0.00 N ATOM 0 H ASN A 32 14.262 18.248 -37.336 1.00 0.00 H new ATOM 0 HA ASN A 32 14.000 18.714 -40.041 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.992 20.326 -39.600 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.528 20.564 -38.666 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.971 19.712 -36.697 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.912 20.120 -38.415 1.00 0.00 H new ATOM 499 N ASN A 33 16.933 17.357 -39.296 1.00 0.00 N ATOM 500 CA ASN A 33 18.053 16.611 -39.859 1.00 0.00 C ATOM 501 C ASN A 33 17.559 15.354 -40.569 1.00 0.00 C ATOM 502 O ASN A 33 17.992 15.051 -41.681 1.00 0.00 O ATOM 503 CB ASN A 33 19.029 16.219 -38.747 1.00 0.00 C ATOM 504 CG ASN A 33 19.794 17.448 -38.268 1.00 0.00 C ATOM 505 OD1 ASN A 33 19.846 18.460 -38.967 1.00 0.00 O ATOM 506 ND2 ASN A 33 20.397 17.420 -37.110 1.00 0.00 N ATOM 0 H ASN A 33 16.998 17.526 -38.292 1.00 0.00 H new ATOM 0 HA ASN A 33 18.561 17.247 -40.583 1.00 0.00 H new ATOM 0 HB2 ASN A 33 18.485 15.772 -37.915 1.00 0.00 H new ATOM 0 HB3 ASN A 33 19.727 15.466 -39.113 1.00 0.00 H new ATOM 0 HD21 ASN A 33 20.912 18.238 -36.783 1.00 0.00 H new ATOM 0 HD22 ASN A 33 20.353 16.581 -36.532 1.00 0.00 H new ATOM 513 N PHE A 34 16.660 14.622 -39.922 1.00 0.00 N ATOM 514 CA PHE A 34 16.125 13.395 -40.504 1.00 0.00 C ATOM 515 C PHE A 34 15.563 13.648 -41.900 1.00 0.00 C ATOM 516 O PHE A 34 15.925 12.965 -42.857 1.00 0.00 O ATOM 517 CB PHE A 34 15.017 12.840 -39.607 1.00 0.00 C ATOM 518 CG PHE A 34 14.498 11.546 -40.187 1.00 0.00 C ATOM 519 CD1 PHE A 34 15.333 10.424 -40.251 1.00 0.00 C ATOM 520 CD2 PHE A 34 13.182 11.467 -40.660 1.00 0.00 C ATOM 521 CE1 PHE A 34 14.853 9.223 -40.788 1.00 0.00 C ATOM 522 CE2 PHE A 34 12.703 10.266 -41.198 1.00 0.00 C ATOM 523 CZ PHE A 34 13.538 9.145 -41.262 1.00 0.00 C ATOM 0 H PHE A 34 16.288 14.853 -39.001 1.00 0.00 H new ATOM 0 HA PHE A 34 16.939 12.674 -40.583 1.00 0.00 H new ATOM 0 HB2 PHE A 34 15.400 12.672 -38.600 1.00 0.00 H new ATOM 0 HB3 PHE A 34 14.206 13.564 -39.523 1.00 0.00 H new ATOM 0 HD1 PHE A 34 16.348 10.485 -39.886 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.537 12.332 -40.610 1.00 0.00 H new ATOM 0 HE1 PHE A 34 15.497 8.357 -40.836 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.689 10.205 -41.564 1.00 0.00 H new ATOM 0 HZ PHE A 34 13.168 8.219 -41.677 1.00 0.00 H new ATOM 533 N GLY A 35 14.669 14.625 -42.007 1.00 0.00 N ATOM 534 CA GLY A 35 14.058 14.946 -43.293 1.00 0.00 C ATOM 535 C GLY A 35 15.083 15.526 -44.261 1.00 0.00 C ATOM 536 O GLY A 35 15.006 15.305 -45.469 1.00 0.00 O ATOM 0 H GLY A 35 14.353 15.203 -41.228 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.616 14.047 -43.723 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.248 15.661 -43.146 1.00 0.00 H new ATOM 540 N ALA A 36 16.040 16.273 -43.722 1.00 0.00 N ATOM 541 CA ALA A 36 17.078 16.885 -44.545 1.00 0.00 C ATOM 542 C ALA A 36 17.927 15.817 -45.229 1.00 0.00 C ATOM 543 O ALA A 36 18.257 15.936 -46.409 1.00 0.00 O ATOM 544 CB ALA A 36 17.973 17.773 -43.679 1.00 0.00 C ATOM 0 H ALA A 36 16.119 16.469 -42.724 1.00 0.00 H new ATOM 0 HA ALA A 36 16.595 17.490 -45.312 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.746 18.227 -44.300 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.371 18.556 -43.218 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.441 17.170 -42.901 1.00 0.00 H new ATOM 550 N ILE A 37 18.280 14.777 -44.481 1.00 0.00 N ATOM 551 CA ILE A 37 19.094 13.695 -45.027 1.00 0.00 C ATOM 552 C ILE A 37 18.333 12.931 -46.106 1.00 0.00 C ATOM 553 O ILE A 37 18.885 12.626 -47.164 1.00 0.00 O ATOM 554 CB ILE A 37 19.510 12.734 -43.912 1.00 0.00 C ATOM 555 CG1 ILE A 37 20.539 13.415 -43.006 1.00 0.00 C ATOM 556 CG2 ILE A 37 20.127 11.476 -44.527 1.00 0.00 C ATOM 557 CD1 ILE A 37 20.733 12.582 -41.737 1.00 0.00 C ATOM 0 H ILE A 37 18.018 14.660 -43.502 1.00 0.00 H new ATOM 0 HA ILE A 37 19.984 14.135 -45.476 1.00 0.00 H new ATOM 0 HB ILE A 37 18.634 12.460 -43.324 1.00 0.00 H new ATOM 0 HG12 ILE A 37 21.488 13.522 -43.532 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.203 14.419 -42.747 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.424 10.791 -43.733 1.00 0.00 H new ATOM 0 HG22 ILE A 37 19.395 10.989 -45.171 1.00 0.00 H new ATOM 0 HG23 ILE A 37 21.003 11.750 -45.115 1.00 0.00 H new ATOM 0 HD11 ILE A 37 21.466 13.067 -41.092 1.00 0.00 H new ATOM 0 HD12 ILE A 37 19.784 12.498 -41.208 1.00 0.00 H new ATOM 0 HD13 ILE A 37 21.088 11.587 -42.006 1.00 0.00 H new ATOM 569 N LEU A 38 17.068 12.624 -45.841 1.00 0.00 N ATOM 570 CA LEU A 38 16.258 11.896 -46.811 1.00 0.00 C ATOM 571 C LEU A 38 16.049 12.744 -48.062 1.00 0.00 C ATOM 572 O LEU A 38 16.133 12.247 -49.185 1.00 0.00 O ATOM 573 CB LEU A 38 14.904 11.531 -46.195 1.00 0.00 C ATOM 574 CG LEU A 38 14.061 10.749 -47.207 1.00 0.00 C ATOM 575 CD1 LEU A 38 14.739 9.413 -47.521 1.00 0.00 C ATOM 576 CD2 LEU A 38 12.674 10.487 -46.616 1.00 0.00 C ATOM 0 H LEU A 38 16.586 12.864 -44.975 1.00 0.00 H new ATOM 0 HA LEU A 38 16.780 10.980 -47.088 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.054 10.934 -45.296 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.377 12.436 -45.893 1.00 0.00 H new ATOM 0 HG LEU A 38 13.966 11.330 -48.124 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.136 8.860 -48.241 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.728 9.597 -47.941 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.836 8.830 -46.605 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.072 9.931 -47.334 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.773 9.907 -45.699 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.188 11.437 -46.394 1.00 0.00 H new ATOM 588 N SER A 39 15.777 14.027 -47.853 1.00 0.00 N ATOM 589 CA SER A 39 15.557 14.945 -48.964 1.00 0.00 C ATOM 590 C SER A 39 16.780 14.988 -49.874 1.00 0.00 C ATOM 591 O SER A 39 16.655 15.090 -51.095 1.00 0.00 O ATOM 592 CB SER A 39 15.266 16.349 -48.432 1.00 0.00 C ATOM 593 OG SER A 39 14.035 16.337 -47.723 1.00 0.00 O ATOM 0 H SER A 39 15.704 14.453 -46.929 1.00 0.00 H new ATOM 0 HA SER A 39 14.702 14.590 -49.539 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.073 16.676 -47.777 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.217 17.060 -49.257 1.00 0.00 H new ATOM 0 HG SER A 39 14.133 15.804 -46.906 1.00 0.00 H new ATOM 599 N SER A 40 17.963 14.909 -49.272 1.00 0.00 N ATOM 600 CA SER A 40 19.204 14.939 -50.038 1.00 0.00 C ATOM 601 C SER A 40 19.647 13.525 -50.401 1.00 0.00 C ATOM 602 O SER A 40 20.841 13.226 -50.430 1.00 0.00 O ATOM 603 CB SER A 40 20.301 15.627 -49.225 1.00 0.00 C ATOM 604 OG SER A 40 19.919 16.971 -48.963 1.00 0.00 O ATOM 0 H SER A 40 18.088 14.824 -48.263 1.00 0.00 H new ATOM 0 HA SER A 40 19.028 15.497 -50.957 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.464 15.094 -48.288 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.243 15.605 -49.772 1.00 0.00 H new ATOM 0 HG SER A 40 19.335 16.998 -48.177 1.00 0.00 H new ATOM 610 N THR A 41 18.677 12.659 -50.676 1.00 0.00 N ATOM 611 CA THR A 41 18.974 11.277 -51.037 1.00 0.00 C ATOM 612 C THR A 41 19.902 11.214 -52.250 1.00 0.00 C ATOM 613 O THR A 41 20.523 10.183 -52.511 1.00 0.00 O ATOM 614 CB THR A 41 17.675 10.531 -51.349 1.00 0.00 C ATOM 615 OG1 THR A 41 17.975 9.187 -51.697 1.00 0.00 O ATOM 616 CG2 THR A 41 16.958 11.215 -52.513 1.00 0.00 C ATOM 0 H THR A 41 17.683 12.888 -50.656 1.00 0.00 H new ATOM 0 HA THR A 41 19.476 10.806 -50.192 1.00 0.00 H new ATOM 0 HB THR A 41 17.029 10.543 -50.471 1.00 0.00 H new ATOM 0 HG1 THR A 41 18.844 8.938 -51.319 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.033 10.682 -52.734 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.728 12.246 -52.243 1.00 0.00 H new ATOM 0 HG23 THR A 41 17.601 11.205 -53.393 1.00 0.00 H new ATOM 624 N ASN A 42 19.995 12.316 -52.990 1.00 0.00 N ATOM 625 CA ASN A 42 20.853 12.357 -54.169 1.00 0.00 C ATOM 626 C ASN A 42 22.320 12.564 -53.784 1.00 0.00 C ATOM 627 O ASN A 42 23.177 12.716 -54.654 1.00 0.00 O ATOM 628 CB ASN A 42 20.406 13.489 -55.096 1.00 0.00 C ATOM 629 CG ASN A 42 20.677 14.839 -54.441 1.00 0.00 C ATOM 630 OD1 ASN A 42 20.987 14.902 -53.251 1.00 0.00 O ATOM 631 ND2 ASN A 42 20.577 15.930 -55.150 1.00 0.00 N ATOM 0 H ASN A 42 19.493 13.183 -52.797 1.00 0.00 H new ATOM 0 HA ASN A 42 20.765 11.399 -54.682 1.00 0.00 H new ATOM 0 HB2 ASN A 42 20.937 13.423 -56.046 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.343 13.390 -55.318 1.00 0.00 H new ATOM 0 HD21 ASN A 42 20.756 16.837 -54.719 1.00 0.00 H new ATOM 0 HD22 ASN A 42 20.320 15.876 -56.136 1.00 0.00 H new ATOM 638 N VAL A 43 22.609 12.570 -52.482 1.00 0.00 N ATOM 639 CA VAL A 43 23.979 12.760 -52.018 1.00 0.00 C ATOM 640 C VAL A 43 24.714 11.423 -51.917 1.00 0.00 C ATOM 641 O VAL A 43 25.760 11.329 -51.274 1.00 0.00 O ATOM 642 CB VAL A 43 23.970 13.451 -50.652 1.00 0.00 C ATOM 643 CG1 VAL A 43 23.657 12.427 -49.557 1.00 0.00 C ATOM 644 CG2 VAL A 43 25.341 14.084 -50.387 1.00 0.00 C ATOM 0 H VAL A 43 21.920 12.447 -51.740 1.00 0.00 H new ATOM 0 HA VAL A 43 24.503 13.385 -52.741 1.00 0.00 H new ATOM 0 HB VAL A 43 23.206 14.228 -50.647 1.00 0.00 H new ATOM 0 HG11 VAL A 43 23.652 12.923 -48.586 1.00 0.00 H new ATOM 0 HG12 VAL A 43 22.679 11.983 -49.743 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.417 11.646 -49.561 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.333 14.576 -49.414 1.00 0.00 H new ATOM 0 HG22 VAL A 43 26.107 13.309 -50.396 1.00 0.00 H new ATOM 0 HG23 VAL A 43 25.559 14.818 -51.163 1.00 0.00 H new ATOM 654 N GLY A 44 24.170 10.390 -52.557 1.00 0.00 N ATOM 655 CA GLY A 44 24.795 9.072 -52.526 1.00 0.00 C ATOM 656 C GLY A 44 23.746 7.967 -52.593 1.00 0.00 C ATOM 657 O GLY A 44 24.019 6.869 -53.076 1.00 0.00 O ATOM 0 H GLY A 44 23.307 10.440 -53.098 1.00 0.00 H new ATOM 0 HA2 GLY A 44 25.486 8.974 -53.363 1.00 0.00 H new ATOM 0 HA3 GLY A 44 25.382 8.966 -51.614 1.00 0.00 H new ATOM 661 N SER A 45 22.546 8.266 -52.108 1.00 0.00 N ATOM 662 CA SER A 45 21.462 7.290 -52.121 1.00 0.00 C ATOM 663 C SER A 45 20.528 7.547 -53.299 1.00 0.00 C ATOM 664 O SER A 45 19.319 7.335 -53.204 1.00 0.00 O ATOM 665 CB SER A 45 20.675 7.360 -50.812 1.00 0.00 C ATOM 666 OG SER A 45 20.448 8.721 -50.470 1.00 0.00 O ATOM 0 H SER A 45 22.300 9.170 -51.704 1.00 0.00 H new ATOM 0 HA SER A 45 21.895 6.295 -52.225 1.00 0.00 H new ATOM 0 HB2 SER A 45 19.725 6.837 -50.918 1.00 0.00 H new ATOM 0 HB3 SER A 45 21.227 6.861 -50.016 1.00 0.00 H new ATOM 0 HG SER A 45 20.685 9.293 -51.230 1.00 0.00 H new ATOM 672 N ASN A 46 21.099 8.008 -54.408 1.00 0.00 N ATOM 673 CA ASN A 46 20.312 8.295 -55.603 1.00 0.00 C ATOM 674 C ASN A 46 19.670 7.026 -56.166 1.00 0.00 C ATOM 675 O ASN A 46 18.816 7.099 -57.050 1.00 0.00 O ATOM 676 CB ASN A 46 21.206 8.929 -56.671 1.00 0.00 C ATOM 677 CG ASN A 46 22.243 7.919 -57.150 1.00 0.00 C ATOM 678 OD1 ASN A 46 22.377 6.842 -56.568 1.00 0.00 O ATOM 679 ND2 ASN A 46 22.988 8.203 -58.183 1.00 0.00 N ATOM 0 H ASN A 46 22.098 8.190 -54.504 1.00 0.00 H new ATOM 0 HA ASN A 46 19.517 8.986 -55.324 1.00 0.00 H new ATOM 0 HB2 ASN A 46 20.599 9.266 -57.512 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.704 9.809 -56.264 1.00 0.00 H new ATOM 0 HD21 ASN A 46 23.683 7.532 -58.510 1.00 0.00 H new ATOM 0 HD22 ASN A 46 22.875 9.096 -58.663 1.00 0.00 H new ATOM 686 N THR A 47 20.079 5.865 -55.656 1.00 0.00 N ATOM 687 CA THR A 47 19.526 4.600 -56.128 1.00 0.00 C ATOM 688 C THR A 47 18.308 4.197 -55.299 1.00 0.00 C ATOM 689 O THR A 47 18.006 3.012 -55.158 1.00 0.00 O ATOM 690 CB THR A 47 20.588 3.502 -56.044 1.00 0.00 C ATOM 691 OG1 THR A 47 21.836 4.080 -55.688 1.00 0.00 O ATOM 692 CG2 THR A 47 20.714 2.805 -57.399 1.00 0.00 C ATOM 0 H THR A 47 20.784 5.776 -54.924 1.00 0.00 H new ATOM 0 HA THR A 47 19.216 4.729 -57.165 1.00 0.00 H new ATOM 0 HB THR A 47 20.297 2.771 -55.289 1.00 0.00 H new ATOM 0 HG1 THR A 47 22.518 3.378 -55.632 1.00 0.00 H new ATOM 0 HG21 THR A 47 21.471 2.023 -57.337 1.00 0.00 H new ATOM 0 HG22 THR A 47 19.756 2.362 -57.671 1.00 0.00 H new ATOM 0 HG23 THR A 47 21.005 3.533 -58.157 1.00 0.00 H new ATOM 700 N TYR A 48 17.613 5.190 -54.753 1.00 0.00 N ATOM 701 CA TYR A 48 16.429 4.926 -53.942 1.00 0.00 C ATOM 702 C TYR A 48 15.171 4.899 -54.809 1.00 0.00 C ATOM 703 O TYR A 48 14.059 5.057 -54.306 1.00 0.00 O ATOM 704 CB TYR A 48 16.289 6.002 -52.859 1.00 0.00 C ATOM 705 CG TYR A 48 15.743 7.275 -53.467 1.00 0.00 C ATOM 706 CD1 TYR A 48 14.410 7.643 -53.243 1.00 0.00 C ATOM 707 CD2 TYR A 48 16.569 8.088 -54.254 1.00 0.00 C ATOM 708 CE1 TYR A 48 13.904 8.821 -53.806 1.00 0.00 C ATOM 709 CE2 TYR A 48 16.062 9.266 -54.816 1.00 0.00 C ATOM 710 CZ TYR A 48 14.730 9.632 -54.593 1.00 0.00 C ATOM 711 OH TYR A 48 14.232 10.793 -55.147 1.00 0.00 O ATOM 0 H TYR A 48 17.846 6.178 -54.856 1.00 0.00 H new ATOM 0 HA TYR A 48 16.545 3.950 -53.472 1.00 0.00 H new ATOM 0 HB2 TYR A 48 15.624 5.651 -52.069 1.00 0.00 H new ATOM 0 HB3 TYR A 48 17.258 6.195 -52.398 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.772 7.018 -52.636 1.00 0.00 H new ATOM 0 HD2 TYR A 48 17.597 7.806 -54.427 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.876 9.104 -53.633 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.700 9.893 -55.422 1.00 0.00 H new ATOM 0 HH TYR A 48 14.937 11.238 -55.663 1.00 0.00 H new ATOM 721 N GLY A 49 15.353 4.697 -56.113 1.00 0.00 N ATOM 722 CA GLY A 49 14.224 4.654 -57.036 1.00 0.00 C ATOM 723 C GLY A 49 13.118 3.746 -56.510 1.00 0.00 C ATOM 724 O GLY A 49 13.214 2.521 -56.591 1.00 0.00 O ATOM 0 H GLY A 49 16.265 4.562 -56.550 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.833 5.661 -57.184 1.00 0.00 H new ATOM 0 HA3 GLY A 49 14.560 4.297 -58.009 1.00 0.00 H new ATOM 728 N LYS A 50 12.068 4.357 -55.971 1.00 0.00 N ATOM 729 CA LYS A 50 10.944 3.599 -55.434 1.00 0.00 C ATOM 730 C LYS A 50 10.021 3.128 -56.556 1.00 0.00 C ATOM 731 O LYS A 50 9.242 2.192 -56.378 1.00 0.00 O ATOM 732 CB LYS A 50 10.153 4.468 -54.456 1.00 0.00 C ATOM 733 CG LYS A 50 11.029 4.804 -53.247 1.00 0.00 C ATOM 734 CD LYS A 50 10.182 5.491 -52.173 1.00 0.00 C ATOM 735 CE LYS A 50 9.787 6.891 -52.649 1.00 0.00 C ATOM 736 NZ LYS A 50 11.016 7.694 -52.905 1.00 0.00 N ATOM 0 H LYS A 50 11.972 5.370 -55.895 1.00 0.00 H new ATOM 0 HA LYS A 50 11.337 2.725 -54.915 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.828 5.384 -54.949 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.254 3.944 -54.132 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.476 3.895 -52.845 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.849 5.455 -53.549 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.289 4.901 -51.967 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.743 5.558 -51.241 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.189 6.822 -53.558 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.169 7.382 -51.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.795 8.706 -52.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.750 7.434 -52.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.361 7.503 -53.867 1.00 0.00 H new ATOM 750 N ARG A 51 10.111 3.782 -57.711 1.00 0.00 N ATOM 751 CA ARG A 51 9.276 3.420 -58.852 1.00 0.00 C ATOM 752 C ARG A 51 9.500 1.964 -59.259 1.00 0.00 C ATOM 753 O ARG A 51 8.699 1.392 -59.998 1.00 0.00 O ATOM 754 CB ARG A 51 9.589 4.336 -60.038 1.00 0.00 C ATOM 755 CG ARG A 51 10.975 4.001 -60.596 1.00 0.00 C ATOM 756 CD ARG A 51 11.361 5.034 -61.656 1.00 0.00 C ATOM 757 NE ARG A 51 12.648 4.688 -62.251 1.00 0.00 N ATOM 758 CZ ARG A 51 13.803 4.965 -61.641 1.00 0.00 C ATOM 759 NH1 ARG A 51 13.819 5.557 -60.473 1.00 0.00 N ATOM 760 NH2 ARG A 51 14.929 4.640 -62.215 1.00 0.00 N ATOM 0 H ARG A 51 10.749 4.560 -57.881 1.00 0.00 H new ATOM 0 HA ARG A 51 8.233 3.540 -58.559 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.834 4.213 -60.814 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.555 5.379 -59.723 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.711 3.997 -59.792 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.972 3.002 -61.031 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.594 5.076 -62.429 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.415 6.025 -61.206 1.00 0.00 H new ATOM 0 HE ARG A 51 12.666 4.222 -63.158 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.942 5.812 -60.018 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.708 5.763 -60.018 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.923 4.177 -63.124 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.815 4.849 -61.755 1.00 0.00 H new ATOM 774 N ASN A 52 10.589 1.367 -58.781 1.00 0.00 N ATOM 775 CA ASN A 52 10.891 -0.020 -59.114 1.00 0.00 C ATOM 776 C ASN A 52 9.981 -0.972 -58.342 1.00 0.00 C ATOM 777 O ASN A 52 9.743 -2.101 -58.770 1.00 0.00 O ATOM 778 CB ASN A 52 12.352 -0.330 -58.784 1.00 0.00 C ATOM 779 CG ASN A 52 12.915 -1.326 -59.792 1.00 0.00 C ATOM 780 OD1 ASN A 52 14.014 -1.133 -60.310 1.00 0.00 O ATOM 781 ND2 ASN A 52 12.221 -2.388 -60.103 1.00 0.00 N ATOM 0 H ASN A 52 11.269 1.817 -58.169 1.00 0.00 H new ATOM 0 HA ASN A 52 10.720 -0.160 -60.181 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.940 0.588 -58.800 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.427 -0.738 -57.776 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.590 -3.059 -60.777 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.310 -2.546 -59.672 1.00 0.00 H new ATOM 788 N ALA A 53 9.483 -0.511 -57.199 1.00 0.00 N ATOM 789 CA ALA A 53 8.608 -1.334 -56.370 1.00 0.00 C ATOM 790 C ALA A 53 7.373 -1.779 -57.149 1.00 0.00 C ATOM 791 O ALA A 53 6.974 -2.941 -57.083 1.00 0.00 O ATOM 792 CB ALA A 53 8.172 -0.544 -55.134 1.00 0.00 C ATOM 0 H ALA A 53 9.668 0.421 -56.827 1.00 0.00 H new ATOM 0 HA ALA A 53 9.164 -2.221 -56.066 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.519 -1.163 -54.518 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.051 -0.258 -54.556 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.635 0.352 -55.446 1.00 0.00 H new ATOM 798 N VAL A 54 6.769 -0.851 -57.884 1.00 0.00 N ATOM 799 CA VAL A 54 5.579 -1.173 -58.664 1.00 0.00 C ATOM 800 C VAL A 54 5.955 -1.926 -59.937 1.00 0.00 C ATOM 801 O VAL A 54 5.182 -2.747 -60.432 1.00 0.00 O ATOM 802 CB VAL A 54 4.813 0.106 -59.016 1.00 0.00 C ATOM 803 CG1 VAL A 54 5.411 0.743 -60.272 1.00 0.00 C ATOM 804 CG2 VAL A 54 3.343 -0.237 -59.272 1.00 0.00 C ATOM 0 H VAL A 54 7.079 0.118 -57.956 1.00 0.00 H new ATOM 0 HA VAL A 54 4.938 -1.815 -58.060 1.00 0.00 H new ATOM 0 HB VAL A 54 4.889 0.809 -58.186 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.861 1.652 -60.516 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.457 0.989 -60.092 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.341 0.042 -61.104 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.796 0.672 -59.523 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.273 -0.943 -60.100 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.912 -0.684 -58.376 1.00 0.00 H new ATOM 814 N GLU A 55 7.144 -1.646 -60.464 1.00 0.00 N ATOM 815 CA GLU A 55 7.601 -2.310 -61.680 1.00 0.00 C ATOM 816 C GLU A 55 7.798 -3.804 -61.440 1.00 0.00 C ATOM 817 O GLU A 55 7.361 -4.631 -62.241 1.00 0.00 O ATOM 818 CB GLU A 55 8.915 -1.688 -62.156 1.00 0.00 C ATOM 819 CG GLU A 55 8.647 -0.284 -62.704 1.00 0.00 C ATOM 820 CD GLU A 55 7.790 -0.370 -63.962 1.00 0.00 C ATOM 821 OE1 GLU A 55 7.902 -1.362 -64.665 1.00 0.00 O ATOM 822 OE2 GLU A 55 7.035 0.557 -64.206 1.00 0.00 O ATOM 0 H GLU A 55 7.802 -0.971 -60.073 1.00 0.00 H new ATOM 0 HA GLU A 55 6.839 -2.177 -62.448 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.626 -1.638 -61.331 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.366 -2.311 -62.928 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.141 0.319 -61.950 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.590 0.213 -62.930 1.00 0.00 H new ATOM 829 N VAL A 56 8.457 -4.149 -60.337 1.00 0.00 N ATOM 830 CA VAL A 56 8.699 -5.552 -60.018 1.00 0.00 C ATOM 831 C VAL A 56 7.402 -6.237 -59.591 1.00 0.00 C ATOM 832 O VAL A 56 7.159 -7.394 -59.934 1.00 0.00 O ATOM 833 CB VAL A 56 9.745 -5.670 -58.905 1.00 0.00 C ATOM 834 CG1 VAL A 56 9.220 -5.017 -57.624 1.00 0.00 C ATOM 835 CG2 VAL A 56 10.036 -7.148 -58.637 1.00 0.00 C ATOM 0 H VAL A 56 8.829 -3.486 -59.657 1.00 0.00 H new ATOM 0 HA VAL A 56 9.076 -6.048 -60.913 1.00 0.00 H new ATOM 0 HB VAL A 56 10.659 -5.164 -59.217 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.969 -5.105 -56.837 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.013 -3.963 -57.811 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.304 -5.517 -57.310 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.780 -7.235 -57.845 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.119 -7.649 -58.329 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.417 -7.614 -59.546 1.00 0.00 H new ATOM 845 N LEU A 57 6.574 -5.519 -58.841 1.00 0.00 N ATOM 846 CA LEU A 57 5.307 -6.071 -58.375 1.00 0.00 C ATOM 847 C LEU A 57 4.535 -6.702 -59.528 1.00 0.00 C ATOM 848 O LEU A 57 4.145 -7.868 -59.461 1.00 0.00 O ATOM 849 CB LEU A 57 4.459 -4.967 -57.738 1.00 0.00 C ATOM 850 CG LEU A 57 4.286 -5.254 -56.246 1.00 0.00 C ATOM 851 CD1 LEU A 57 5.528 -4.783 -55.486 1.00 0.00 C ATOM 852 CD2 LEU A 57 3.056 -4.508 -55.724 1.00 0.00 C ATOM 0 H LEU A 57 6.755 -4.560 -58.544 1.00 0.00 H new ATOM 0 HA LEU A 57 5.522 -6.841 -57.634 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.938 -3.998 -57.880 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.485 -4.915 -58.225 1.00 0.00 H new ATOM 0 HG LEU A 57 4.154 -6.325 -56.096 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.403 -4.988 -54.423 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.405 -5.313 -55.858 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.662 -3.712 -55.636 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.931 -4.712 -54.660 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.189 -3.437 -55.875 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.171 -4.844 -56.264 1.00 0.00 H new ATOM 864 N LYS A 58 4.308 -5.924 -60.582 1.00 0.00 N ATOM 865 CA LYS A 58 3.570 -6.422 -61.737 1.00 0.00 C ATOM 866 C LYS A 58 4.334 -7.555 -62.418 1.00 0.00 C ATOM 867 O LYS A 58 3.734 -8.467 -62.986 1.00 0.00 O ATOM 868 CB LYS A 58 3.332 -5.289 -62.737 1.00 0.00 C ATOM 869 CG LYS A 58 2.291 -4.317 -62.175 1.00 0.00 C ATOM 870 CD LYS A 58 0.891 -4.913 -62.339 1.00 0.00 C ATOM 871 CE LYS A 58 -0.156 -3.889 -61.895 1.00 0.00 C ATOM 872 NZ LYS A 58 -0.055 -3.684 -60.422 1.00 0.00 N ATOM 0 H LYS A 58 4.621 -4.956 -60.660 1.00 0.00 H new ATOM 0 HA LYS A 58 2.610 -6.805 -61.390 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.266 -4.763 -62.935 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.988 -5.696 -63.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.493 -4.121 -61.122 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.353 -3.361 -62.695 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.723 -5.193 -63.379 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.800 -5.823 -61.745 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.001 -2.944 -62.416 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.155 -4.237 -62.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.893 -3.168 -60.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.003 -4.607 -59.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.801 -3.134 -60.206 1.00 0.00 H new ATOM 886 N ARG A 59 5.660 -7.487 -62.357 1.00 0.00 N ATOM 887 CA ARG A 59 6.499 -8.511 -62.972 1.00 0.00 C ATOM 888 C ARG A 59 6.257 -9.869 -62.319 1.00 0.00 C ATOM 889 O ARG A 59 6.260 -10.900 -62.991 1.00 0.00 O ATOM 890 CB ARG A 59 7.975 -8.131 -62.832 1.00 0.00 C ATOM 891 CG ARG A 59 8.833 -9.107 -63.640 1.00 0.00 C ATOM 892 CD ARG A 59 9.410 -10.173 -62.707 1.00 0.00 C ATOM 893 NE ARG A 59 10.399 -10.981 -63.414 1.00 0.00 N ATOM 894 CZ ARG A 59 11.037 -11.991 -62.819 1.00 0.00 C ATOM 895 NH1 ARG A 59 10.793 -12.293 -61.568 1.00 0.00 N ATOM 896 NH2 ARG A 59 11.913 -12.685 -63.491 1.00 0.00 N ATOM 0 H ARG A 59 6.175 -6.739 -61.892 1.00 0.00 H new ATOM 0 HA ARG A 59 6.240 -8.578 -64.029 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.134 -7.112 -63.185 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.269 -8.154 -61.783 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.232 -9.577 -64.419 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.640 -8.571 -64.140 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.870 -9.698 -61.841 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.609 -10.811 -62.333 1.00 0.00 H new ATOM 0 HE ARG A 59 10.608 -10.768 -64.389 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.109 -11.754 -61.037 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.287 -13.067 -61.125 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.107 -12.455 -64.465 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.404 -13.458 -63.042 1.00 0.00 H new ATOM 910 N GLU A 60 6.050 -9.861 -61.006 1.00 0.00 N ATOM 911 CA GLU A 60 5.812 -11.099 -60.272 1.00 0.00 C ATOM 912 C GLU A 60 4.406 -11.109 -59.676 1.00 0.00 C ATOM 913 O GLU A 60 4.231 -10.896 -58.477 1.00 0.00 O ATOM 914 CB GLU A 60 6.840 -11.241 -59.149 1.00 0.00 C ATOM 915 CG GLU A 60 6.685 -12.611 -58.485 1.00 0.00 C ATOM 916 CD GLU A 60 7.747 -12.790 -57.405 1.00 0.00 C ATOM 917 OE1 GLU A 60 7.790 -13.857 -56.815 1.00 0.00 O ATOM 918 OE2 GLU A 60 8.500 -11.856 -57.182 1.00 0.00 O ATOM 0 H GLU A 60 6.042 -9.018 -60.432 1.00 0.00 H new ATOM 0 HA GLU A 60 5.907 -11.935 -60.965 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.848 -11.131 -59.548 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.701 -10.450 -58.412 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.691 -12.702 -58.048 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.778 -13.399 -59.232 1.00 0.00 H new ATOM 925 N PRO A 61 3.409 -11.352 -60.487 1.00 0.00 N ATOM 926 CA PRO A 61 1.987 -11.392 -60.029 1.00 0.00 C ATOM 927 C PRO A 61 1.705 -12.573 -59.101 1.00 0.00 C ATOM 928 O PRO A 61 0.660 -12.625 -58.451 1.00 0.00 O ATOM 929 CB PRO A 61 1.184 -11.514 -61.327 1.00 0.00 C ATOM 930 CG PRO A 61 2.129 -12.088 -62.329 1.00 0.00 C ATOM 931 CD PRO A 61 3.526 -11.618 -61.930 1.00 0.00 C ATOM 0 HA PRO A 61 1.728 -10.509 -59.444 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.316 -12.159 -61.192 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.812 -10.542 -61.651 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.073 -13.177 -62.335 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.879 -11.751 -63.335 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.278 -12.379 -62.137 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.819 -10.723 -62.479 1.00 0.00 H new ATOM 939 N LEU A 62 2.636 -13.521 -59.045 1.00 0.00 N ATOM 940 CA LEU A 62 2.467 -14.692 -58.193 1.00 0.00 C ATOM 941 C LEU A 62 2.295 -14.270 -56.737 1.00 0.00 C ATOM 942 O LEU A 62 1.451 -14.808 -56.021 1.00 0.00 O ATOM 943 CB LEU A 62 3.684 -15.610 -58.324 1.00 0.00 C ATOM 944 CG LEU A 62 3.427 -16.912 -57.564 1.00 0.00 C ATOM 945 CD1 LEU A 62 2.394 -17.751 -58.320 1.00 0.00 C ATOM 946 CD2 LEU A 62 4.735 -17.698 -57.446 1.00 0.00 C ATOM 0 H LEU A 62 3.508 -13.502 -59.575 1.00 0.00 H new ATOM 0 HA LEU A 62 1.573 -15.229 -58.511 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.880 -15.823 -59.375 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.570 -15.115 -57.928 1.00 0.00 H new ATOM 0 HG LEU A 62 3.048 -16.683 -56.568 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.211 -18.679 -57.778 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.463 -17.191 -58.405 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.771 -17.981 -59.316 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.554 -18.626 -56.905 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.113 -17.927 -58.442 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.471 -17.101 -56.907 1.00 0.00 H new ATOM 958 N ASN A 63 3.101 -13.305 -56.306 1.00 0.00 N ATOM 959 CA ASN A 63 3.027 -12.822 -54.932 1.00 0.00 C ATOM 960 C ASN A 63 1.587 -12.473 -54.565 1.00 0.00 C ATOM 961 O ASN A 63 1.159 -12.678 -53.429 1.00 0.00 O ATOM 962 CB ASN A 63 3.916 -11.587 -54.760 1.00 0.00 C ATOM 963 CG ASN A 63 3.236 -10.360 -55.359 1.00 0.00 C ATOM 964 OD1 ASN A 63 2.766 -10.402 -56.496 1.00 0.00 O ATOM 965 ND2 ASN A 63 3.155 -9.263 -54.657 1.00 0.00 N ATOM 0 H ASN A 63 3.807 -12.846 -56.882 1.00 0.00 H new ATOM 0 HA ASN A 63 3.378 -13.613 -54.269 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.118 -11.420 -53.702 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.878 -11.752 -55.246 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.702 -8.438 -55.050 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.545 -9.230 -53.715 1.00 0.00 H new ATOM 972 N TYR A 64 0.845 -11.948 -55.535 1.00 0.00 N ATOM 973 CA TYR A 64 -0.547 -11.578 -55.304 1.00 0.00 C ATOM 974 C TYR A 64 -1.434 -12.818 -55.260 1.00 0.00 C ATOM 975 O TYR A 64 -2.254 -12.975 -54.356 1.00 0.00 O ATOM 976 CB TYR A 64 -1.030 -10.642 -56.414 1.00 0.00 C ATOM 977 CG TYR A 64 -2.474 -10.274 -56.172 1.00 0.00 C ATOM 978 CD1 TYR A 64 -2.798 -9.306 -55.214 1.00 0.00 C ATOM 979 CD2 TYR A 64 -3.488 -10.902 -56.904 1.00 0.00 C ATOM 980 CE1 TYR A 64 -4.137 -8.965 -54.989 1.00 0.00 C ATOM 981 CE2 TYR A 64 -4.827 -10.561 -56.679 1.00 0.00 C ATOM 982 CZ TYR A 64 -5.152 -9.593 -55.722 1.00 0.00 C ATOM 983 OH TYR A 64 -6.472 -9.257 -55.500 1.00 0.00 O ATOM 0 H TYR A 64 1.181 -11.770 -56.482 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.611 -11.067 -54.343 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.414 -9.743 -56.439 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.925 -11.127 -57.384 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.015 -8.822 -54.649 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.238 -11.649 -57.642 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.387 -8.218 -54.250 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.610 -11.045 -57.244 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.048 -9.785 -56.092 1.00 0.00 H new ATOM 993 N LEU A 65 -1.264 -13.696 -56.243 1.00 0.00 N ATOM 994 CA LEU A 65 -2.055 -14.920 -56.308 1.00 0.00 C ATOM 995 C LEU A 65 -1.610 -15.900 -55.221 1.00 0.00 C ATOM 996 O LEU A 65 -0.497 -15.796 -54.705 1.00 0.00 O ATOM 997 CB LEU A 65 -1.891 -15.569 -57.685 1.00 0.00 C ATOM 998 CG LEU A 65 -2.488 -14.655 -58.757 1.00 0.00 C ATOM 999 CD1 LEU A 65 -2.086 -15.165 -60.142 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -4.015 -14.657 -58.639 1.00 0.00 C ATOM 0 H LEU A 65 -0.590 -13.584 -57.001 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.103 -14.669 -56.147 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.836 -15.747 -57.891 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.387 -16.539 -57.702 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.114 -13.641 -58.618 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.511 -14.515 -60.907 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.999 -15.165 -60.228 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.461 -16.179 -60.279 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.440 -14.006 -59.403 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.389 -15.671 -58.778 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.304 -14.295 -57.652 1.00 0.00 H new