USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 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 Single : A 19 GLN : amide:sc= -0.0554 K(o=-0.055,f=-0.65) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : A 33 SER OG : rot 83:sc= 0.812 USER MOD Single : A 34 SER OG : rot 50:sc= 0.266 USER MOD Single : A 41 ASN : amide:sc= -0.208 K(o=-0.21,f=-8.6!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 47 ASN : amide:sc= -0.432 K(o=-0.43,f=-3.2!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.067) USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0542) USER MOD Single : A 53 GLN : amide:sc= 0.953 K(o=0.95,f=-0.41) USER MOD Single : A 58 SER OG : rot 84:sc= 0.131 USER MOD Single : A 61 TYR OH : rot -146:sc= -0.0652 USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -1.78! USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= 1.07 (180deg=0.47) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 34:sc= 0.155 USER MOD Single : A 83 GLN : amide:sc= -0.0276 X(o=-0.028,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 134:sc= 1.1 (180deg=0.0732) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.313 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 15.000 8.561 5.456 1.00 34.24 N ATOM 262 CA GLN A 19 13.804 9.061 6.147 1.00 64.44 C ATOM 263 C GLN A 19 13.128 7.951 6.969 1.00 55.11 C ATOM 264 O GLN A 19 13.283 6.764 6.682 1.00 41.04 O ATOM 265 CB GLN A 19 12.809 9.654 5.140 1.00 73.21 C ATOM 266 CG GLN A 19 13.385 10.772 4.274 1.00 64.41 C ATOM 267 CD GLN A 19 13.963 11.926 5.084 1.00 64.34 C ATOM 268 OE1 GLN A 19 13.521 12.218 6.192 1.00 30.10 O ATOM 269 NE2 GLN A 19 14.952 12.602 4.532 1.00 60.14 N ATOM 0 HA GLN A 19 14.122 9.845 6.834 1.00 64.44 H new ATOM 0 HB2 GLN A 19 12.448 8.856 4.491 1.00 73.21 H new ATOM 0 HB3 GLN A 19 11.946 10.039 5.683 1.00 73.21 H new ATOM 0 HG2 GLN A 19 14.165 10.361 3.633 1.00 64.41 H new ATOM 0 HG3 GLN A 19 12.602 11.154 3.618 1.00 64.41 H new ATOM 0 HE21 GLN A 19 15.299 12.337 3.610 1.00 60.14 H new ATOM 0 HE22 GLN A 19 15.370 13.390 5.027 1.00 60.14 H new ATOM 278 N ALA A 20 12.403 8.343 8.012 1.00 31.41 N ATOM 279 CA ALA A 20 11.743 7.379 8.896 1.00 51.04 C ATOM 280 C ALA A 20 10.337 7.005 8.396 1.00 24.01 C ATOM 281 O ALA A 20 9.486 7.874 8.209 1.00 64.50 O ATOM 282 CB ALA A 20 11.665 7.944 10.310 1.00 41.35 C ATOM 0 H ALA A 20 12.256 9.319 8.268 1.00 31.41 H new ATOM 0 HA ALA A 20 12.340 6.467 8.897 1.00 51.04 H new ATOM 0 HB1 ALA A 20 11.173 7.223 10.963 1.00 41.35 H new ATOM 0 HB2 ALA A 20 12.672 8.141 10.679 1.00 41.35 H new ATOM 0 HB3 ALA A 20 11.094 8.873 10.300 1.00 41.35 H new ATOM 288 N PHE A 21 10.108 5.708 8.179 1.00 11.14 N ATOM 289 CA PHE A 21 8.779 5.200 7.816 1.00 61.12 C ATOM 290 C PHE A 21 7.820 5.249 9.021 1.00 71.45 C ATOM 291 O PHE A 21 7.977 4.483 9.978 1.00 15.33 O ATOM 292 CB PHE A 21 8.878 3.751 7.313 1.00 20.24 C ATOM 293 CG PHE A 21 9.630 3.585 6.014 1.00 14.10 C ATOM 294 CD1 PHE A 21 9.078 4.019 4.817 1.00 4.21 C ATOM 295 CD2 PHE A 21 10.883 2.983 5.989 1.00 52.30 C ATOM 296 CE1 PHE A 21 9.759 3.856 3.625 1.00 63.42 C ATOM 297 CE2 PHE A 21 11.566 2.821 4.800 1.00 42.52 C ATOM 298 CZ PHE A 21 11.003 3.257 3.617 1.00 3.11 C ATOM 0 H PHE A 21 10.826 4.987 8.248 1.00 11.14 H new ATOM 0 HA PHE A 21 8.387 5.838 7.024 1.00 61.12 H new ATOM 0 HB2 PHE A 21 9.365 3.147 8.079 1.00 20.24 H new ATOM 0 HB3 PHE A 21 7.870 3.355 7.187 1.00 20.24 H new ATOM 0 HD1 PHE A 21 8.106 4.489 4.817 1.00 4.21 H new ATOM 0 HD2 PHE A 21 11.327 2.638 6.911 1.00 52.30 H new ATOM 0 HE1 PHE A 21 9.318 4.197 2.700 1.00 63.42 H new ATOM 0 HE2 PHE A 21 12.540 2.354 4.795 1.00 42.52 H new ATOM 0 HZ PHE A 21 11.535 3.130 2.686 1.00 3.11 H new ATOM 308 N PRO A 22 6.811 6.142 9.006 1.00 11.24 N ATOM 309 CA PRO A 22 5.831 6.213 10.088 1.00 61.14 C ATOM 310 C PRO A 22 4.682 5.211 9.881 1.00 11.53 C ATOM 311 O PRO A 22 3.719 5.482 9.157 1.00 55.53 O ATOM 312 CB PRO A 22 5.337 7.660 9.985 1.00 53.03 C ATOM 313 CG PRO A 22 5.417 7.983 8.525 1.00 41.44 C ATOM 314 CD PRO A 22 6.546 7.148 7.954 1.00 25.11 C ATOM 0 HA PRO A 22 6.244 5.960 11.064 1.00 61.14 H new ATOM 0 HB2 PRO A 22 4.317 7.758 10.358 1.00 53.03 H new ATOM 0 HB3 PRO A 22 5.958 8.334 10.575 1.00 53.03 H new ATOM 0 HG2 PRO A 22 4.476 7.753 8.026 1.00 41.44 H new ATOM 0 HG3 PRO A 22 5.607 9.046 8.374 1.00 41.44 H new ATOM 0 HD2 PRO A 22 6.259 6.677 7.014 1.00 25.11 H new ATOM 0 HD3 PRO A 22 7.428 7.755 7.750 1.00 25.11 H new ATOM 322 N ARG A 23 4.769 4.055 10.535 1.00 55.40 N ATOM 323 CA ARG A 23 3.792 2.987 10.313 1.00 64.40 C ATOM 324 C ARG A 23 2.479 3.256 11.060 1.00 55.54 C ATOM 325 O ARG A 23 1.430 2.740 10.684 1.00 14.14 O ATOM 326 CB ARG A 23 4.379 1.609 10.669 1.00 4.12 C ATOM 327 CG ARG A 23 4.743 1.408 12.135 1.00 60.21 C ATOM 328 CD ARG A 23 5.361 0.027 12.359 1.00 34.22 C ATOM 329 NE ARG A 23 5.598 -0.270 13.772 1.00 72.44 N ATOM 330 CZ ARG A 23 6.443 -1.175 14.202 1.00 73.20 C ATOM 331 NH1 ARG A 23 7.171 -1.851 13.366 1.00 64.14 N ATOM 332 NH2 ARG A 23 6.563 -1.401 15.468 1.00 1.31 N ATOM 0 H ARG A 23 5.496 3.833 11.215 1.00 55.40 H new ATOM 0 HA ARG A 23 3.556 2.975 9.249 1.00 64.40 H new ATOM 0 HB2 ARG A 23 3.659 0.842 10.383 1.00 4.12 H new ATOM 0 HB3 ARG A 23 5.272 1.448 10.066 1.00 4.12 H new ATOM 0 HG2 ARG A 23 5.445 2.180 12.449 1.00 60.21 H new ATOM 0 HG3 ARG A 23 3.852 1.517 12.753 1.00 60.21 H new ATOM 0 HD2 ARG A 23 4.702 -0.733 11.939 1.00 34.22 H new ATOM 0 HD3 ARG A 23 6.305 -0.035 11.817 1.00 34.22 H new ATOM 0 HE ARG A 23 5.072 0.261 14.466 1.00 72.44 H new ATOM 0 HH11 ARG A 23 7.088 -1.680 12.364 1.00 64.14 H new ATOM 0 HH12 ARG A 23 7.825 -2.553 13.711 1.00 64.14 H new ATOM 0 HH21 ARG A 23 5.999 -0.875 16.136 1.00 1.31 H new ATOM 0 HH22 ARG A 23 7.221 -2.106 15.800 1.00 1.31 H new ATOM 346 N LYS A 24 2.533 4.086 12.099 1.00 63.32 N ATOM 347 CA LYS A 24 1.319 4.480 12.825 1.00 61.43 C ATOM 348 C LYS A 24 0.364 5.287 11.919 1.00 51.42 C ATOM 349 O LYS A 24 -0.843 5.315 12.144 1.00 35.21 O ATOM 350 CB LYS A 24 1.682 5.290 14.078 1.00 0.22 C ATOM 351 CG LYS A 24 2.559 4.519 15.063 1.00 13.45 C ATOM 352 CD LYS A 24 2.844 5.311 16.338 1.00 74.23 C ATOM 353 CE LYS A 24 3.607 6.604 16.060 1.00 11.43 C ATOM 354 NZ LYS A 24 4.053 7.265 17.316 1.00 52.34 N ATOM 0 H LYS A 24 3.394 4.498 12.458 1.00 63.32 H new ATOM 0 HA LYS A 24 0.802 3.571 13.133 1.00 61.43 H new ATOM 0 HB2 LYS A 24 2.200 6.200 13.776 1.00 0.22 H new ATOM 0 HB3 LYS A 24 0.765 5.597 14.582 1.00 0.22 H new ATOM 0 HG2 LYS A 24 2.069 3.581 15.324 1.00 13.45 H new ATOM 0 HG3 LYS A 24 3.502 4.262 14.581 1.00 13.45 H new ATOM 0 HD2 LYS A 24 1.903 5.547 16.834 1.00 74.23 H new ATOM 0 HD3 LYS A 24 3.421 4.692 17.026 1.00 74.23 H new ATOM 0 HE2 LYS A 24 4.474 6.387 15.436 1.00 11.43 H new ATOM 0 HE3 LYS A 24 2.971 7.287 15.496 1.00 11.43 H new ATOM 0 HZ1 LYS A 24 4.567 8.139 17.085 1.00 52.34 H new ATOM 0 HZ2 LYS A 24 3.224 7.495 17.900 1.00 52.34 H new ATOM 0 HZ3 LYS A 24 4.680 6.624 17.842 1.00 52.34 H new ATOM 368 N PHE A 25 0.919 5.940 10.895 1.00 72.02 N ATOM 369 CA PHE A 25 0.112 6.659 9.895 1.00 54.25 C ATOM 370 C PHE A 25 -0.169 5.773 8.670 1.00 4.21 C ATOM 371 O PHE A 25 -1.318 5.615 8.256 1.00 65.40 O ATOM 372 CB PHE A 25 0.823 7.945 9.450 1.00 13.00 C ATOM 373 CG PHE A 25 0.917 8.999 10.525 1.00 20.40 C ATOM 374 CD1 PHE A 25 1.999 9.034 11.395 1.00 53.43 C ATOM 375 CD2 PHE A 25 -0.078 9.957 10.666 1.00 21.12 C ATOM 376 CE1 PHE A 25 2.086 10.002 12.379 1.00 63.11 C ATOM 377 CE2 PHE A 25 0.006 10.926 11.647 1.00 53.03 C ATOM 378 CZ PHE A 25 1.089 10.948 12.505 1.00 3.34 C ATOM 0 H PHE A 25 1.925 5.988 10.733 1.00 72.02 H new ATOM 0 HA PHE A 25 -0.838 6.919 10.362 1.00 54.25 H new ATOM 0 HB2 PHE A 25 1.829 7.694 9.113 1.00 13.00 H new ATOM 0 HB3 PHE A 25 0.295 8.362 8.593 1.00 13.00 H new ATOM 0 HD1 PHE A 25 2.782 8.296 11.302 1.00 53.43 H new ATOM 0 HD2 PHE A 25 -0.928 9.944 10.000 1.00 21.12 H new ATOM 0 HE1 PHE A 25 2.933 10.018 13.048 1.00 63.11 H new ATOM 0 HE2 PHE A 25 -0.775 11.666 11.743 1.00 53.03 H new ATOM 0 HZ PHE A 25 1.155 11.704 13.273 1.00 3.34 H new ATOM 388 N VAL A 26 0.889 5.193 8.100 1.00 63.13 N ATOM 389 CA VAL A 26 0.763 4.358 6.895 1.00 51.12 C ATOM 390 C VAL A 26 -0.171 3.155 7.123 1.00 21.14 C ATOM 391 O VAL A 26 -1.116 2.943 6.361 1.00 42.24 O ATOM 392 CB VAL A 26 2.143 3.851 6.404 1.00 63.13 C ATOM 393 CG1 VAL A 26 1.991 3.002 5.144 1.00 43.31 C ATOM 394 CG2 VAL A 26 3.092 5.024 6.152 1.00 4.32 C ATOM 0 H VAL A 26 1.843 5.283 8.450 1.00 63.13 H new ATOM 0 HA VAL A 26 0.327 4.997 6.127 1.00 51.12 H new ATOM 0 HB VAL A 26 2.573 3.226 7.187 1.00 63.13 H new ATOM 0 HG11 VAL A 26 2.972 2.657 4.817 1.00 43.31 H new ATOM 0 HG12 VAL A 26 1.357 2.142 5.359 1.00 43.31 H new ATOM 0 HG13 VAL A 26 1.535 3.600 4.355 1.00 43.31 H new ATOM 0 HG21 VAL A 26 4.055 4.646 5.808 1.00 4.32 H new ATOM 0 HG22 VAL A 26 2.667 5.679 5.392 1.00 4.32 H new ATOM 0 HG23 VAL A 26 3.232 5.584 7.077 1.00 4.32 H new ATOM 404 N LEU A 27 0.084 2.374 8.178 1.00 25.43 N ATOM 405 CA LEU A 27 -0.756 1.207 8.494 1.00 32.21 C ATOM 406 C LEU A 27 -2.194 1.630 8.832 1.00 11.01 C ATOM 407 O LEU A 27 -3.140 0.868 8.617 1.00 25.31 O ATOM 408 CB LEU A 27 -0.157 0.393 9.652 1.00 23.32 C ATOM 409 CG LEU A 27 1.224 -0.226 9.379 1.00 22.32 C ATOM 410 CD1 LEU A 27 1.692 -1.051 10.576 1.00 53.21 C ATOM 411 CD2 LEU A 27 1.197 -1.081 8.111 1.00 2.25 C ATOM 0 H LEU A 27 0.858 2.524 8.825 1.00 25.43 H new ATOM 0 HA LEU A 27 -0.785 0.576 7.605 1.00 32.21 H new ATOM 0 HB2 LEU A 27 -0.080 1.039 10.526 1.00 23.32 H new ATOM 0 HB3 LEU A 27 -0.851 -0.408 9.908 1.00 23.32 H new ATOM 0 HG LEU A 27 1.934 0.586 9.225 1.00 22.32 H new ATOM 0 HD11 LEU A 27 2.671 -1.480 10.362 1.00 53.21 H new ATOM 0 HD12 LEU A 27 1.761 -0.410 11.455 1.00 53.21 H new ATOM 0 HD13 LEU A 27 0.978 -1.853 10.767 1.00 53.21 H new ATOM 0 HD21 LEU A 27 2.185 -1.508 7.939 1.00 2.25 H new ATOM 0 HD22 LEU A 27 0.470 -1.885 8.229 1.00 2.25 H new ATOM 0 HD23 LEU A 27 0.917 -0.461 7.260 1.00 2.25 H new ATOM 423 N ALA A 28 -2.349 2.846 9.359 1.00 53.53 N ATOM 424 CA ALA A 28 -3.673 3.404 9.648 1.00 65.42 C ATOM 425 C ALA A 28 -4.465 3.645 8.356 1.00 51.03 C ATOM 426 O ALA A 28 -5.638 3.289 8.254 1.00 1.35 O ATOM 427 CB ALA A 28 -3.541 4.703 10.437 1.00 51.21 C ATOM 0 H ALA A 28 -1.573 3.465 9.595 1.00 53.53 H new ATOM 0 HA ALA A 28 -4.220 2.679 10.251 1.00 65.42 H new ATOM 0 HB1 ALA A 28 -4.533 5.105 10.644 1.00 51.21 H new ATOM 0 HB2 ALA A 28 -3.025 4.507 11.377 1.00 51.21 H new ATOM 0 HB3 ALA A 28 -2.970 5.426 9.854 1.00 51.21 H new ATOM 433 N ALA A 29 -3.814 4.259 7.374 1.00 3.45 N ATOM 434 CA ALA A 29 -4.428 4.475 6.060 1.00 23.24 C ATOM 435 C ALA A 29 -4.691 3.140 5.352 1.00 44.15 C ATOM 436 O ALA A 29 -5.714 2.960 4.687 1.00 73.42 O ATOM 437 CB ALA A 29 -3.534 5.363 5.203 1.00 45.55 C ATOM 0 H ALA A 29 -2.863 4.617 7.458 1.00 3.45 H new ATOM 0 HA ALA A 29 -5.386 4.974 6.207 1.00 23.24 H new ATOM 0 HB1 ALA A 29 -4.000 5.517 4.230 1.00 45.55 H new ATOM 0 HB2 ALA A 29 -3.397 6.326 5.696 1.00 45.55 H new ATOM 0 HB3 ALA A 29 -2.565 4.883 5.070 1.00 45.55 H new ATOM 443 N LEU A 30 -3.756 2.212 5.516 1.00 12.11 N ATOM 444 CA LEU A 30 -3.851 0.874 4.929 1.00 45.35 C ATOM 445 C LEU A 30 -5.112 0.128 5.405 1.00 15.42 C ATOM 446 O LEU A 30 -5.953 -0.260 4.595 1.00 24.04 O ATOM 447 CB LEU A 30 -2.585 0.083 5.293 1.00 54.51 C ATOM 448 CG LEU A 30 -2.473 -1.331 4.699 1.00 22.13 C ATOM 449 CD1 LEU A 30 -2.562 -1.293 3.177 1.00 34.00 C ATOM 450 CD2 LEU A 30 -1.168 -1.986 5.146 1.00 62.44 C ATOM 0 H LEU A 30 -2.907 2.363 6.061 1.00 12.11 H new ATOM 0 HA LEU A 30 -3.931 0.971 3.846 1.00 45.35 H new ATOM 0 HB2 LEU A 30 -1.717 0.659 4.972 1.00 54.51 H new ATOM 0 HB3 LEU A 30 -2.531 0.004 6.379 1.00 54.51 H new ATOM 0 HG LEU A 30 -3.308 -1.926 5.067 1.00 22.13 H new ATOM 0 HD11 LEU A 30 -2.480 -2.306 2.782 1.00 34.00 H new ATOM 0 HD12 LEU A 30 -3.519 -0.864 2.879 1.00 34.00 H new ATOM 0 HD13 LEU A 30 -1.751 -0.682 2.780 1.00 34.00 H new ATOM 0 HD21 LEU A 30 -1.099 -2.987 4.720 1.00 62.44 H new ATOM 0 HD22 LEU A 30 -0.324 -1.387 4.804 1.00 62.44 H new ATOM 0 HD23 LEU A 30 -1.148 -2.053 6.234 1.00 62.44 H new ATOM 462 N GLU A 31 -5.249 -0.043 6.724 1.00 71.03 N ATOM 463 CA GLU A 31 -6.385 -0.781 7.303 1.00 71.43 C ATOM 464 C GLU A 31 -7.736 -0.122 6.969 1.00 60.22 C ATOM 465 O GLU A 31 -8.751 -0.806 6.820 1.00 72.04 O ATOM 466 CB GLU A 31 -6.228 -0.903 8.827 1.00 35.22 C ATOM 467 CG GLU A 31 -6.198 0.436 9.557 1.00 40.41 C ATOM 468 CD GLU A 31 -6.072 0.287 11.066 1.00 54.43 C ATOM 469 OE1 GLU A 31 -4.931 0.188 11.570 1.00 23.24 O ATOM 470 OE2 GLU A 31 -7.112 0.260 11.756 1.00 75.24 O ATOM 0 H GLU A 31 -4.590 0.318 7.413 1.00 71.03 H new ATOM 0 HA GLU A 31 -6.380 -1.775 6.856 1.00 71.43 H new ATOM 0 HB2 GLU A 31 -7.050 -1.501 9.220 1.00 35.22 H new ATOM 0 HB3 GLU A 31 -5.308 -1.445 9.045 1.00 35.22 H new ATOM 0 HG2 GLU A 31 -5.362 1.028 9.185 1.00 40.41 H new ATOM 0 HG3 GLU A 31 -7.108 0.990 9.327 1.00 40.41 H new ATOM 477 N GLN A 32 -7.740 1.205 6.849 1.00 20.44 N ATOM 478 CA GLN A 32 -8.962 1.961 6.536 1.00 22.34 C ATOM 479 C GLN A 32 -9.291 1.924 5.032 1.00 4.11 C ATOM 480 O GLN A 32 -10.306 2.464 4.596 1.00 53.31 O ATOM 481 CB GLN A 32 -8.821 3.410 7.026 1.00 43.11 C ATOM 482 CG GLN A 32 -8.684 3.521 8.545 1.00 72.23 C ATOM 483 CD GLN A 32 -8.557 4.953 9.035 1.00 4.44 C ATOM 484 OE1 GLN A 32 -9.545 5.606 9.344 1.00 54.41 O ATOM 485 NE2 GLN A 32 -7.340 5.446 9.117 1.00 1.21 N ATOM 0 H GLN A 32 -6.909 1.785 6.964 1.00 20.44 H new ATOM 0 HA GLN A 32 -9.793 1.486 7.057 1.00 22.34 H new ATOM 0 HB2 GLN A 32 -7.949 3.863 6.555 1.00 43.11 H new ATOM 0 HB3 GLN A 32 -9.691 3.982 6.703 1.00 43.11 H new ATOM 0 HG2 GLN A 32 -9.552 3.059 9.016 1.00 72.23 H new ATOM 0 HG3 GLN A 32 -7.809 2.956 8.866 1.00 72.23 H new ATOM 0 HE21 GLN A 32 -6.539 4.873 8.851 1.00 1.21 H new ATOM 0 HE22 GLN A 32 -7.198 6.401 9.447 1.00 1.21 H new ATOM 494 N SER A 33 -8.426 1.285 4.245 1.00 31.41 N ATOM 495 CA SER A 33 -8.655 1.118 2.800 1.00 72.52 C ATOM 496 C SER A 33 -8.781 -0.366 2.432 1.00 24.14 C ATOM 497 O SER A 33 -8.753 -0.729 1.255 1.00 74.44 O ATOM 498 CB SER A 33 -7.500 1.747 2.004 1.00 73.30 C ATOM 499 OG SER A 33 -7.337 3.117 2.330 1.00 73.13 O ATOM 0 H SER A 33 -7.556 0.871 4.580 1.00 31.41 H new ATOM 0 HA SER A 33 -9.588 1.621 2.547 1.00 72.52 H new ATOM 0 HB2 SER A 33 -6.576 1.209 2.213 1.00 73.30 H new ATOM 0 HB3 SER A 33 -7.694 1.645 0.936 1.00 73.30 H new ATOM 0 HG SER A 33 -6.802 3.197 3.147 1.00 73.13 H new ATOM 505 N SER A 34 -8.931 -1.217 3.445 1.00 4.42 N ATOM 506 CA SER A 34 -8.947 -2.677 3.256 1.00 51.45 C ATOM 507 C SER A 34 -10.357 -3.236 3.054 1.00 31.24 C ATOM 508 O SER A 34 -11.353 -2.595 3.381 1.00 72.43 O ATOM 509 CB SER A 34 -8.322 -3.375 4.471 1.00 4.11 C ATOM 510 OG SER A 34 -6.972 -2.988 4.671 1.00 53.14 O ATOM 0 H SER A 34 -9.045 -0.923 4.415 1.00 4.42 H new ATOM 0 HA SER A 34 -8.370 -2.874 2.352 1.00 51.45 H new ATOM 0 HB2 SER A 34 -8.903 -3.139 5.363 1.00 4.11 H new ATOM 0 HB3 SER A 34 -8.373 -4.455 4.334 1.00 4.11 H new ATOM 0 HG SER A 34 -6.906 -2.010 4.656 1.00 53.14 H new ATOM 516 N ASP A 35 -10.418 -4.457 2.515 1.00 52.51 N ATOM 517 CA ASP A 35 -11.664 -5.222 2.440 1.00 3.34 C ATOM 518 C ASP A 35 -11.994 -5.838 3.814 1.00 2.52 C ATOM 519 O ASP A 35 -11.287 -5.600 4.798 1.00 63.21 O ATOM 520 CB ASP A 35 -11.544 -6.348 1.400 1.00 34.33 C ATOM 521 CG ASP A 35 -11.121 -5.861 0.022 1.00 1.32 C ATOM 522 OD1 ASP A 35 -11.844 -5.038 -0.576 1.00 54.13 O ATOM 523 OD2 ASP A 35 -10.074 -6.315 -0.479 1.00 34.45 O ATOM 0 H ASP A 35 -9.610 -4.940 2.121 1.00 52.51 H new ATOM 0 HA ASP A 35 -12.462 -4.542 2.143 1.00 3.34 H new ATOM 0 HB2 ASP A 35 -10.821 -7.083 1.754 1.00 34.33 H new ATOM 0 HB3 ASP A 35 -12.503 -6.859 1.317 1.00 34.33 H new ATOM 528 N ASP A 36 -13.044 -6.656 3.871 1.00 75.34 N ATOM 529 CA ASP A 36 -13.453 -7.310 5.120 1.00 20.23 C ATOM 530 C ASP A 36 -12.343 -8.245 5.641 1.00 34.12 C ATOM 531 O ASP A 36 -12.177 -8.431 6.850 1.00 51.32 O ATOM 532 CB ASP A 36 -14.755 -8.093 4.888 1.00 70.15 C ATOM 533 CG ASP A 36 -15.392 -8.587 6.177 1.00 22.42 C ATOM 534 OD1 ASP A 36 -16.041 -7.772 6.869 1.00 75.52 O ATOM 535 OD2 ASP A 36 -15.275 -9.789 6.491 1.00 43.25 O ATOM 0 H ASP A 36 -13.630 -6.884 3.068 1.00 75.34 H new ATOM 0 HA ASP A 36 -13.626 -6.545 5.877 1.00 20.23 H new ATOM 0 HB2 ASP A 36 -15.465 -7.457 4.359 1.00 70.15 H new ATOM 0 HB3 ASP A 36 -14.549 -8.946 4.242 1.00 70.15 H new ATOM 540 N ALA A 37 -11.563 -8.799 4.713 1.00 42.03 N ATOM 541 CA ALA A 37 -10.469 -9.714 5.054 1.00 32.42 C ATOM 542 C ALA A 37 -9.236 -8.978 5.612 1.00 2.43 C ATOM 543 O ALA A 37 -8.387 -9.578 6.272 1.00 2.34 O ATOM 544 CB ALA A 37 -10.076 -10.523 3.822 1.00 50.33 C ATOM 0 H ALA A 37 -11.668 -8.630 3.713 1.00 42.03 H new ATOM 0 HA ALA A 37 -10.831 -10.377 5.840 1.00 32.42 H new ATOM 0 HB1 ALA A 37 -9.263 -11.203 4.077 1.00 50.33 H new ATOM 0 HB2 ALA A 37 -10.934 -11.098 3.475 1.00 50.33 H new ATOM 0 HB3 ALA A 37 -9.749 -9.847 3.032 1.00 50.33 H new ATOM 550 N GLY A 38 -9.145 -7.673 5.359 1.00 70.04 N ATOM 551 CA GLY A 38 -8.002 -6.890 5.826 1.00 12.21 C ATOM 552 C GLY A 38 -7.030 -6.502 4.714 1.00 12.41 C ATOM 553 O GLY A 38 -6.073 -5.765 4.953 1.00 14.25 O ATOM 0 H GLY A 38 -9.842 -7.140 4.838 1.00 70.04 H new ATOM 0 HA2 GLY A 38 -8.367 -5.984 6.310 1.00 12.21 H new ATOM 0 HA3 GLY A 38 -7.465 -7.462 6.583 1.00 12.21 H new ATOM 557 N TRP A 39 -7.279 -6.974 3.493 1.00 1.52 N ATOM 558 CA TRP A 39 -6.420 -6.651 2.343 1.00 74.33 C ATOM 559 C TRP A 39 -6.883 -5.369 1.632 1.00 15.01 C ATOM 560 O TRP A 39 -8.052 -5.230 1.282 1.00 21.44 O ATOM 561 CB TRP A 39 -6.403 -7.823 1.355 1.00 32.12 C ATOM 562 CG TRP A 39 -5.704 -9.037 1.890 1.00 3.45 C ATOM 563 CD1 TRP A 39 -6.266 -10.092 2.548 1.00 33.50 C ATOM 564 CD2 TRP A 39 -4.302 -9.312 1.818 1.00 31.13 C ATOM 565 NE1 TRP A 39 -5.298 -11.005 2.887 1.00 53.33 N ATOM 566 CE2 TRP A 39 -4.085 -10.548 2.448 1.00 2.11 C ATOM 567 CE3 TRP A 39 -3.211 -8.631 1.280 1.00 72.21 C ATOM 568 CZ2 TRP A 39 -2.822 -11.118 2.553 1.00 33.32 C ATOM 569 CZ3 TRP A 39 -1.954 -9.196 1.383 1.00 43.44 C ATOM 570 CH2 TRP A 39 -1.768 -10.429 2.018 1.00 64.45 C ATOM 0 H TRP A 39 -8.067 -7.582 3.270 1.00 1.52 H new ATOM 0 HA TRP A 39 -5.411 -6.478 2.718 1.00 74.33 H new ATOM 0 HB2 TRP A 39 -7.429 -8.087 1.097 1.00 32.12 H new ATOM 0 HB3 TRP A 39 -5.914 -7.506 0.434 1.00 32.12 H new ATOM 0 HD1 TRP A 39 -7.318 -10.194 2.770 1.00 33.50 H new ATOM 0 HE1 TRP A 39 -5.457 -11.881 3.385 1.00 53.33 H new ATOM 0 HE3 TRP A 39 -3.346 -7.678 0.791 1.00 72.21 H new ATOM 0 HZ2 TRP A 39 -2.678 -12.071 3.040 1.00 33.32 H new ATOM 0 HZ3 TRP A 39 -1.102 -8.678 0.967 1.00 43.44 H new ATOM 0 HH2 TRP A 39 -0.774 -10.845 2.087 1.00 64.45 H new ATOM 581 N ALA A 40 -5.959 -4.438 1.418 1.00 32.41 N ATOM 582 CA ALA A 40 -6.274 -3.152 0.785 1.00 2.12 C ATOM 583 C ALA A 40 -5.717 -3.072 -0.641 1.00 64.15 C ATOM 584 O ALA A 40 -4.546 -3.373 -0.875 1.00 44.33 O ATOM 585 CB ALA A 40 -5.719 -2.010 1.629 1.00 43.30 C ATOM 0 H ALA A 40 -4.978 -4.547 1.674 1.00 32.41 H new ATOM 0 HA ALA A 40 -7.359 -3.066 0.722 1.00 2.12 H new ATOM 0 HB1 ALA A 40 -5.956 -1.058 1.154 1.00 43.30 H new ATOM 0 HB2 ALA A 40 -6.166 -2.041 2.622 1.00 43.30 H new ATOM 0 HB3 ALA A 40 -4.637 -2.113 1.715 1.00 43.30 H new ATOM 591 N ASN A 41 -6.560 -2.668 -1.588 1.00 34.43 N ATOM 592 CA ASN A 41 -6.141 -2.514 -2.980 1.00 51.01 C ATOM 593 C ASN A 41 -5.138 -1.359 -3.118 1.00 33.34 C ATOM 594 O ASN A 41 -5.412 -0.228 -2.711 1.00 52.02 O ATOM 595 CB ASN A 41 -7.366 -2.286 -3.882 1.00 34.51 C ATOM 596 CG ASN A 41 -7.027 -2.268 -5.367 1.00 54.13 C ATOM 597 OD1 ASN A 41 -5.941 -1.862 -5.773 1.00 23.33 O ATOM 598 ND2 ASN A 41 -7.949 -2.720 -6.192 1.00 13.23 N ATOM 0 H ASN A 41 -7.540 -2.441 -1.417 1.00 34.43 H new ATOM 0 HA ASN A 41 -5.645 -3.431 -3.298 1.00 51.01 H new ATOM 0 HB2 ASN A 41 -8.098 -3.071 -3.693 1.00 34.51 H new ATOM 0 HB3 ASN A 41 -7.836 -1.340 -3.612 1.00 34.51 H new ATOM 0 HD21 ASN A 41 -7.770 -2.739 -7.196 1.00 13.23 H new ATOM 0 HD22 ASN A 41 -8.842 -3.051 -5.827 1.00 13.23 H new ATOM 605 N LEU A 42 -3.983 -1.668 -3.703 1.00 71.13 N ATOM 606 CA LEU A 42 -2.902 -0.698 -3.929 1.00 64.11 C ATOM 607 C LEU A 42 -3.421 0.672 -4.422 1.00 62.03 C ATOM 608 O LEU A 42 -2.962 1.724 -3.965 1.00 22.41 O ATOM 609 CB LEU A 42 -1.918 -1.284 -4.950 1.00 22.12 C ATOM 610 CG LEU A 42 -0.721 -0.396 -5.318 1.00 13.04 C ATOM 611 CD1 LEU A 42 0.152 -0.109 -4.094 1.00 4.30 C ATOM 612 CD2 LEU A 42 0.095 -1.054 -6.422 1.00 13.53 C ATOM 0 H LEU A 42 -3.764 -2.606 -4.038 1.00 71.13 H new ATOM 0 HA LEU A 42 -2.408 -0.519 -2.974 1.00 64.11 H new ATOM 0 HB2 LEU A 42 -1.538 -2.228 -4.558 1.00 22.12 H new ATOM 0 HB3 LEU A 42 -2.467 -1.516 -5.863 1.00 22.12 H new ATOM 0 HG LEU A 42 -1.100 0.559 -5.682 1.00 13.04 H new ATOM 0 HD11 LEU A 42 0.992 0.522 -4.386 1.00 4.30 H new ATOM 0 HD12 LEU A 42 -0.441 0.403 -3.336 1.00 4.30 H new ATOM 0 HD13 LEU A 42 0.528 -1.048 -3.687 1.00 4.30 H new ATOM 0 HD21 LEU A 42 0.942 -0.417 -6.677 1.00 13.53 H new ATOM 0 HD22 LEU A 42 0.459 -2.022 -6.078 1.00 13.53 H new ATOM 0 HD23 LEU A 42 -0.531 -1.194 -7.303 1.00 13.53 H new ATOM 624 N GLY A 43 -4.389 0.647 -5.345 1.00 34.35 N ATOM 625 CA GLY A 43 -4.940 1.883 -5.904 1.00 23.54 C ATOM 626 C GLY A 43 -5.588 2.792 -4.856 1.00 70.12 C ATOM 627 O GLY A 43 -5.390 4.011 -4.870 1.00 72.33 O ATOM 0 H GLY A 43 -4.803 -0.208 -5.717 1.00 34.35 H new ATOM 0 HA2 GLY A 43 -4.144 2.432 -6.407 1.00 23.54 H new ATOM 0 HA3 GLY A 43 -5.681 1.631 -6.662 1.00 23.54 H new ATOM 631 N ASN A 44 -6.357 2.197 -3.944 1.00 41.25 N ATOM 632 CA ASN A 44 -7.030 2.953 -2.877 1.00 42.33 C ATOM 633 C ASN A 44 -6.057 3.304 -1.743 1.00 3.44 C ATOM 634 O ASN A 44 -6.130 4.390 -1.165 1.00 22.45 O ATOM 635 CB ASN A 44 -8.223 2.157 -2.332 1.00 31.34 C ATOM 636 CG ASN A 44 -9.298 1.949 -3.383 1.00 50.12 C ATOM 637 OD1 ASN A 44 -9.468 2.763 -4.284 1.00 11.10 O ATOM 638 ND2 ASN A 44 -10.031 0.859 -3.280 1.00 43.12 N ATOM 0 H ASN A 44 -6.532 1.192 -3.919 1.00 41.25 H new ATOM 0 HA ASN A 44 -7.395 3.887 -3.305 1.00 42.33 H new ATOM 0 HB2 ASN A 44 -7.877 1.188 -1.971 1.00 31.34 H new ATOM 0 HB3 ASN A 44 -8.649 2.683 -1.477 1.00 31.34 H new ATOM 0 HD21 ASN A 44 -10.766 0.672 -3.962 1.00 43.12 H new ATOM 0 HD22 ASN A 44 -9.864 0.202 -2.518 1.00 43.12 H new ATOM 645 N PHE A 45 -5.138 2.387 -1.441 1.00 42.43 N ATOM 646 CA PHE A 45 -4.101 2.625 -0.430 1.00 32.30 C ATOM 647 C PHE A 45 -3.335 3.929 -0.715 1.00 63.43 C ATOM 648 O PHE A 45 -3.196 4.784 0.160 1.00 22.23 O ATOM 649 CB PHE A 45 -3.131 1.434 -0.386 1.00 54.53 C ATOM 650 CG PHE A 45 -1.937 1.648 0.514 1.00 22.50 C ATOM 651 CD1 PHE A 45 -2.105 1.913 1.867 1.00 13.40 C ATOM 652 CD2 PHE A 45 -0.646 1.581 0.006 1.00 13.13 C ATOM 653 CE1 PHE A 45 -1.012 2.103 2.691 1.00 74.13 C ATOM 654 CE2 PHE A 45 0.449 1.770 0.827 1.00 31.32 C ATOM 655 CZ PHE A 45 0.265 2.030 2.170 1.00 13.24 C ATOM 0 H PHE A 45 -5.088 1.469 -1.882 1.00 42.43 H new ATOM 0 HA PHE A 45 -4.586 2.728 0.541 1.00 32.30 H new ATOM 0 HB2 PHE A 45 -3.672 0.550 -0.050 1.00 54.53 H new ATOM 0 HB3 PHE A 45 -2.779 1.228 -1.397 1.00 54.53 H new ATOM 0 HD1 PHE A 45 -3.101 1.971 2.280 1.00 13.40 H new ATOM 0 HD2 PHE A 45 -0.496 1.379 -1.044 1.00 13.13 H new ATOM 0 HE1 PHE A 45 -1.156 2.308 3.741 1.00 74.13 H new ATOM 0 HE2 PHE A 45 1.447 1.714 0.419 1.00 31.32 H new ATOM 0 HZ PHE A 45 1.120 2.176 2.814 1.00 13.24 H new ATOM 665 N GLY A 46 -2.860 4.074 -1.952 1.00 2.11 N ATOM 666 CA GLY A 46 -2.144 5.283 -2.351 1.00 50.30 C ATOM 667 C GLY A 46 -2.976 6.558 -2.211 1.00 63.42 C ATOM 668 O GLY A 46 -2.426 7.655 -2.086 1.00 12.45 O ATOM 0 H GLY A 46 -2.957 3.375 -2.689 1.00 2.11 H new ATOM 0 HA2 GLY A 46 -1.243 5.378 -1.746 1.00 50.30 H new ATOM 0 HA3 GLY A 46 -1.823 5.180 -3.387 1.00 50.30 H new ATOM 672 N ASN A 47 -4.301 6.418 -2.237 1.00 20.15 N ATOM 673 CA ASN A 47 -5.209 7.565 -2.097 1.00 4.22 C ATOM 674 C ASN A 47 -5.316 7.995 -0.626 1.00 55.04 C ATOM 675 O ASN A 47 -4.935 9.111 -0.261 1.00 63.23 O ATOM 676 CB ASN A 47 -6.599 7.205 -2.653 1.00 74.12 C ATOM 677 CG ASN A 47 -7.557 8.390 -2.721 1.00 40.21 C ATOM 678 OD1 ASN A 47 -7.474 9.335 -1.944 1.00 60.43 O ATOM 679 ND2 ASN A 47 -8.487 8.343 -3.654 1.00 30.02 N ATOM 0 H ASN A 47 -4.774 5.522 -2.354 1.00 20.15 H new ATOM 0 HA ASN A 47 -4.805 8.401 -2.668 1.00 4.22 H new ATOM 0 HB2 ASN A 47 -6.483 6.785 -3.652 1.00 74.12 H new ATOM 0 HB3 ASN A 47 -7.040 6.428 -2.029 1.00 74.12 H new ATOM 0 HD21 ASN A 47 -9.160 9.105 -3.742 1.00 30.02 H new ATOM 0 HD22 ASN A 47 -8.534 7.545 -4.288 1.00 30.02 H new ATOM 686 N TYR A 48 -5.805 7.090 0.222 1.00 5.24 N ATOM 687 CA TYR A 48 -6.047 7.412 1.633 1.00 31.35 C ATOM 688 C TYR A 48 -4.725 7.649 2.389 1.00 64.51 C ATOM 689 O TYR A 48 -4.693 8.369 3.389 1.00 53.10 O ATOM 690 CB TYR A 48 -6.865 6.293 2.301 1.00 31.12 C ATOM 691 CG TYR A 48 -7.633 6.745 3.535 1.00 13.52 C ATOM 692 CD1 TYR A 48 -8.857 7.395 3.411 1.00 62.50 C ATOM 693 CD2 TYR A 48 -7.137 6.531 4.818 1.00 34.23 C ATOM 694 CE1 TYR A 48 -9.561 7.814 4.524 1.00 3.14 C ATOM 695 CE2 TYR A 48 -7.837 6.949 5.935 1.00 34.45 C ATOM 696 CZ TYR A 48 -9.047 7.591 5.782 1.00 12.23 C ATOM 697 OH TYR A 48 -9.747 8.010 6.892 1.00 35.40 O ATOM 0 H TYR A 48 -6.041 6.133 -0.039 1.00 5.24 H new ATOM 0 HA TYR A 48 -6.620 8.338 1.676 1.00 31.35 H new ATOM 0 HB2 TYR A 48 -7.569 5.888 1.575 1.00 31.12 H new ATOM 0 HB3 TYR A 48 -6.193 5.482 2.580 1.00 31.12 H new ATOM 0 HD1 TYR A 48 -9.264 7.575 2.427 1.00 62.50 H new ATOM 0 HD2 TYR A 48 -6.189 6.030 4.943 1.00 34.23 H new ATOM 0 HE1 TYR A 48 -10.511 8.315 4.408 1.00 3.14 H new ATOM 0 HE2 TYR A 48 -7.437 6.773 6.923 1.00 34.45 H new ATOM 0 HH TYR A 48 -9.247 7.775 7.702 1.00 35.40 H new ATOM 707 N LEU A 49 -3.637 7.047 1.902 1.00 62.34 N ATOM 708 CA LEU A 49 -2.311 7.250 2.499 1.00 50.11 C ATOM 709 C LEU A 49 -1.847 8.705 2.355 1.00 41.41 C ATOM 710 O LEU A 49 -1.484 9.346 3.341 1.00 63.33 O ATOM 711 CB LEU A 49 -1.277 6.308 1.868 1.00 41.54 C ATOM 712 CG LEU A 49 0.170 6.484 2.371 1.00 3.44 C ATOM 713 CD1 LEU A 49 0.249 6.314 3.887 1.00 50.01 C ATOM 714 CD2 LEU A 49 1.112 5.508 1.670 1.00 43.12 C ATOM 0 H LEU A 49 -3.646 6.417 1.100 1.00 62.34 H new ATOM 0 HA LEU A 49 -2.396 7.021 3.561 1.00 50.11 H new ATOM 0 HB2 LEU A 49 -1.586 5.279 2.054 1.00 41.54 H new ATOM 0 HB3 LEU A 49 -1.289 6.454 0.788 1.00 41.54 H new ATOM 0 HG LEU A 49 0.486 7.498 2.128 1.00 3.44 H new ATOM 0 HD11 LEU A 49 1.281 6.443 4.214 1.00 50.01 H new ATOM 0 HD12 LEU A 49 -0.381 7.061 4.370 1.00 50.01 H new ATOM 0 HD13 LEU A 49 -0.096 5.317 4.160 1.00 50.01 H new ATOM 0 HD21 LEU A 49 2.127 5.651 2.041 1.00 43.12 H new ATOM 0 HD22 LEU A 49 0.793 4.486 1.872 1.00 43.12 H new ATOM 0 HD23 LEU A 49 1.090 5.689 0.595 1.00 43.12 H new ATOM 726 N ASN A 50 -1.870 9.224 1.128 1.00 0.33 N ATOM 727 CA ASN A 50 -1.419 10.598 0.867 1.00 62.03 C ATOM 728 C ASN A 50 -2.254 11.626 1.650 1.00 25.11 C ATOM 729 O ASN A 50 -1.778 12.718 1.964 1.00 1.22 O ATOM 730 CB ASN A 50 -1.465 10.899 -0.636 1.00 70.43 C ATOM 731 CG ASN A 50 -0.914 12.274 -0.967 1.00 5.21 C ATOM 732 OD1 ASN A 50 -1.655 13.245 -1.087 1.00 22.15 O ATOM 733 ND2 ASN A 50 0.395 12.372 -1.097 1.00 42.04 N ATOM 0 H ASN A 50 -2.193 8.721 0.302 1.00 0.33 H new ATOM 0 HA ASN A 50 -0.388 10.681 1.211 1.00 62.03 H new ATOM 0 HB2 ASN A 50 -0.893 10.142 -1.173 1.00 70.43 H new ATOM 0 HB3 ASN A 50 -2.495 10.829 -0.987 1.00 70.43 H new ATOM 0 HD21 ASN A 50 0.821 13.276 -1.304 1.00 42.04 H new ATOM 0 HD22 ASN A 50 0.981 11.544 -0.991 1.00 42.04 H new ATOM 740 N LYS A 51 -3.498 11.271 1.963 1.00 4.35 N ATOM 741 CA LYS A 51 -4.347 12.105 2.823 1.00 50.44 C ATOM 742 C LYS A 51 -3.702 12.309 4.203 1.00 15.15 C ATOM 743 O LYS A 51 -3.676 13.421 4.732 1.00 22.54 O ATOM 744 CB LYS A 51 -5.732 11.463 2.994 1.00 11.23 C ATOM 745 CG LYS A 51 -6.554 11.398 1.713 1.00 30.13 C ATOM 746 CD LYS A 51 -7.887 10.687 1.936 1.00 33.22 C ATOM 747 CE LYS A 51 -8.721 11.360 3.020 1.00 13.15 C ATOM 748 NZ LYS A 51 -9.059 12.767 2.679 1.00 71.35 N ATOM 0 H LYS A 51 -3.944 10.414 1.637 1.00 4.35 H new ATOM 0 HA LYS A 51 -4.457 13.076 2.341 1.00 50.44 H new ATOM 0 HB2 LYS A 51 -5.606 10.453 3.383 1.00 11.23 H new ATOM 0 HB3 LYS A 51 -6.291 12.025 3.742 1.00 11.23 H new ATOM 0 HG2 LYS A 51 -6.737 12.408 1.346 1.00 30.13 H new ATOM 0 HG3 LYS A 51 -5.987 10.876 0.942 1.00 30.13 H new ATOM 0 HD2 LYS A 51 -8.450 10.672 1.003 1.00 33.22 H new ATOM 0 HD3 LYS A 51 -7.702 9.649 2.213 1.00 33.22 H new ATOM 0 HE2 LYS A 51 -9.640 10.794 3.172 1.00 13.15 H new ATOM 0 HE3 LYS A 51 -8.174 11.338 3.962 1.00 13.15 H new ATOM 0 HZ1 LYS A 51 -9.709 13.151 3.394 1.00 71.35 H new ATOM 0 HZ2 LYS A 51 -8.190 13.338 2.659 1.00 71.35 H new ATOM 0 HZ3 LYS A 51 -9.515 12.798 1.745 1.00 71.35 H new ATOM 762 N LEU A 52 -3.175 11.229 4.777 1.00 11.53 N ATOM 763 CA LEU A 52 -2.555 11.285 6.106 1.00 50.34 C ATOM 764 C LEU A 52 -1.093 11.745 6.030 1.00 23.34 C ATOM 765 O LEU A 52 -0.611 12.463 6.908 1.00 70.54 O ATOM 766 CB LEU A 52 -2.633 9.911 6.792 1.00 62.55 C ATOM 767 CG LEU A 52 -4.045 9.303 6.893 1.00 52.10 C ATOM 768 CD1 LEU A 52 -4.027 8.022 7.721 1.00 73.52 C ATOM 769 CD2 LEU A 52 -5.041 10.309 7.468 1.00 13.20 C ATOM 0 H LEU A 52 -3.163 10.305 4.346 1.00 11.53 H new ATOM 0 HA LEU A 52 -3.110 12.016 6.695 1.00 50.34 H new ATOM 0 HB2 LEU A 52 -1.994 9.215 6.248 1.00 62.55 H new ATOM 0 HB3 LEU A 52 -2.222 10.002 7.797 1.00 62.55 H new ATOM 0 HG LEU A 52 -4.372 9.051 5.884 1.00 52.10 H new ATOM 0 HD11 LEU A 52 -5.035 7.611 7.778 1.00 73.52 H new ATOM 0 HD12 LEU A 52 -3.365 7.295 7.251 1.00 73.52 H new ATOM 0 HD13 LEU A 52 -3.668 8.243 8.726 1.00 73.52 H new ATOM 0 HD21 LEU A 52 -6.028 9.851 7.527 1.00 13.20 H new ATOM 0 HD22 LEU A 52 -4.720 10.609 8.466 1.00 13.20 H new ATOM 0 HD23 LEU A 52 -5.086 11.186 6.822 1.00 13.20 H new ATOM 781 N GLN A 53 -0.386 11.327 4.980 1.00 71.13 N ATOM 782 CA GLN A 53 1.034 11.667 4.805 1.00 11.45 C ATOM 783 C GLN A 53 1.321 12.228 3.395 1.00 32.25 C ATOM 784 O GLN A 53 1.795 11.505 2.517 1.00 63.34 O ATOM 785 CB GLN A 53 1.915 10.430 5.057 1.00 5.35 C ATOM 786 CG GLN A 53 1.900 9.919 6.496 1.00 64.12 C ATOM 787 CD GLN A 53 2.594 10.860 7.471 1.00 30.30 C ATOM 788 OE1 GLN A 53 3.795 10.766 7.697 1.00 10.04 O ATOM 789 NE2 GLN A 53 1.844 11.765 8.062 1.00 75.43 N ATOM 0 H GLN A 53 -0.772 10.750 4.233 1.00 71.13 H new ATOM 0 HA GLN A 53 1.274 12.442 5.533 1.00 11.45 H new ATOM 0 HB2 GLN A 53 1.587 9.627 4.397 1.00 5.35 H new ATOM 0 HB3 GLN A 53 2.942 10.670 4.782 1.00 5.35 H new ATOM 0 HG2 GLN A 53 0.867 9.774 6.813 1.00 64.12 H new ATOM 0 HG3 GLN A 53 2.385 8.944 6.534 1.00 64.12 H new ATOM 0 HE21 GLN A 53 0.847 11.817 7.852 1.00 75.43 H new ATOM 0 HE22 GLN A 53 2.259 12.414 8.730 1.00 75.43 H new ATOM 798 N PRO A 54 1.023 13.519 3.153 1.00 64.22 N ATOM 799 CA PRO A 54 1.294 14.164 1.852 1.00 11.23 C ATOM 800 C PRO A 54 2.798 14.392 1.591 1.00 55.41 C ATOM 801 O PRO A 54 3.234 14.490 0.441 1.00 53.42 O ATOM 802 CB PRO A 54 0.546 15.500 1.963 1.00 23.43 C ATOM 803 CG PRO A 54 0.493 15.786 3.428 1.00 0.31 C ATOM 804 CD PRO A 54 0.378 14.446 4.107 1.00 14.34 C ATOM 0 HA PRO A 54 0.970 13.544 1.016 1.00 11.23 H new ATOM 0 HB2 PRO A 54 1.067 16.291 1.424 1.00 23.43 H new ATOM 0 HB3 PRO A 54 -0.455 15.430 1.537 1.00 23.43 H new ATOM 0 HG2 PRO A 54 1.389 16.314 3.755 1.00 0.31 H new ATOM 0 HG3 PRO A 54 -0.359 16.421 3.671 1.00 0.31 H new ATOM 0 HD2 PRO A 54 0.881 14.441 5.074 1.00 14.34 H new ATOM 0 HD3 PRO A 54 -0.662 14.176 4.288 1.00 14.34 H new ATOM 812 N ASP A 55 3.582 14.463 2.667 1.00 65.43 N ATOM 813 CA ASP A 55 5.034 14.669 2.571 1.00 73.10 C ATOM 814 C ASP A 55 5.774 13.335 2.319 1.00 34.43 C ATOM 815 O ASP A 55 6.967 13.314 2.013 1.00 74.05 O ATOM 816 CB ASP A 55 5.538 15.347 3.857 1.00 74.54 C ATOM 817 CG ASP A 55 7.024 15.672 3.825 1.00 52.23 C ATOM 818 OD1 ASP A 55 7.428 16.565 3.051 1.00 51.32 O ATOM 819 OD2 ASP A 55 7.791 15.050 4.593 1.00 3.31 O ATOM 0 H ASP A 55 3.236 14.381 3.623 1.00 65.43 H new ATOM 0 HA ASP A 55 5.244 15.317 1.720 1.00 73.10 H new ATOM 0 HB2 ASP A 55 4.976 16.267 4.019 1.00 74.54 H new ATOM 0 HB3 ASP A 55 5.334 14.695 4.707 1.00 74.54 H new ATOM 824 N PHE A 56 5.046 12.224 2.421 1.00 61.34 N ATOM 825 CA PHE A 56 5.627 10.889 2.231 1.00 72.11 C ATOM 826 C PHE A 56 5.647 10.502 0.741 1.00 4.31 C ATOM 827 O PHE A 56 4.605 10.221 0.146 1.00 5.04 O ATOM 828 CB PHE A 56 4.832 9.854 3.042 1.00 15.40 C ATOM 829 CG PHE A 56 5.389 8.451 2.975 1.00 44.13 C ATOM 830 CD1 PHE A 56 6.494 8.092 3.734 1.00 22.34 C ATOM 831 CD2 PHE A 56 4.803 7.491 2.160 1.00 64.43 C ATOM 832 CE1 PHE A 56 7.006 6.808 3.679 1.00 21.30 C ATOM 833 CE2 PHE A 56 5.312 6.206 2.103 1.00 21.40 C ATOM 834 CZ PHE A 56 6.414 5.864 2.863 1.00 11.44 C ATOM 0 H PHE A 56 4.049 12.219 2.635 1.00 61.34 H new ATOM 0 HA PHE A 56 6.657 10.907 2.587 1.00 72.11 H new ATOM 0 HB2 PHE A 56 4.802 10.171 4.084 1.00 15.40 H new ATOM 0 HB3 PHE A 56 3.803 9.841 2.683 1.00 15.40 H new ATOM 0 HD1 PHE A 56 6.960 8.825 4.376 1.00 22.34 H new ATOM 0 HD2 PHE A 56 3.940 7.751 1.564 1.00 64.43 H new ATOM 0 HE1 PHE A 56 7.868 6.544 4.274 1.00 21.30 H new ATOM 0 HE2 PHE A 56 4.848 5.470 1.464 1.00 21.40 H new ATOM 0 HZ PHE A 56 6.812 4.861 2.819 1.00 11.44 H new ATOM 844 N ASP A 57 6.838 10.495 0.142 1.00 74.10 N ATOM 845 CA ASP A 57 6.990 10.196 -1.287 1.00 65.21 C ATOM 846 C ASP A 57 8.011 9.069 -1.538 1.00 43.21 C ATOM 847 O ASP A 57 9.051 8.993 -0.883 1.00 45.31 O ATOM 848 CB ASP A 57 7.399 11.467 -2.036 1.00 43.25 C ATOM 849 CG ASP A 57 7.593 11.228 -3.521 1.00 42.53 C ATOM 850 OD1 ASP A 57 6.691 10.649 -4.159 1.00 41.31 O ATOM 851 OD2 ASP A 57 8.645 11.619 -4.057 1.00 34.42 O ATOM 0 H ASP A 57 7.715 10.693 0.623 1.00 74.10 H new ATOM 0 HA ASP A 57 6.029 9.844 -1.661 1.00 65.21 H new ATOM 0 HB2 ASP A 57 6.636 12.232 -1.891 1.00 43.25 H new ATOM 0 HB3 ASP A 57 8.324 11.855 -1.610 1.00 43.25 H new ATOM 856 N SER A 58 7.710 8.205 -2.511 1.00 72.31 N ATOM 857 CA SER A 58 8.552 7.034 -2.811 1.00 63.32 C ATOM 858 C SER A 58 9.914 7.427 -3.406 1.00 41.41 C ATOM 859 O SER A 58 10.921 6.754 -3.168 1.00 71.10 O ATOM 860 CB SER A 58 7.840 6.100 -3.793 1.00 72.05 C ATOM 861 OG SER A 58 7.663 6.722 -5.058 1.00 13.51 O ATOM 0 H SER A 58 6.888 8.291 -3.109 1.00 72.31 H new ATOM 0 HA SER A 58 8.725 6.527 -1.862 1.00 63.32 H new ATOM 0 HB2 SER A 58 8.419 5.184 -3.913 1.00 72.05 H new ATOM 0 HB3 SER A 58 6.870 5.813 -3.387 1.00 72.05 H new ATOM 0 HG SER A 58 8.479 6.617 -5.591 1.00 13.51 H new ATOM 867 N ARG A 59 9.938 8.508 -4.184 1.00 34.04 N ATOM 868 CA ARG A 59 11.165 8.957 -4.860 1.00 22.04 C ATOM 869 C ARG A 59 12.277 9.289 -3.851 1.00 53.31 C ATOM 870 O ARG A 59 13.464 9.131 -4.140 1.00 1.33 O ATOM 871 CB ARG A 59 10.865 10.179 -5.736 1.00 24.01 C ATOM 872 CG ARG A 59 9.801 9.929 -6.806 1.00 54.31 C ATOM 873 CD ARG A 59 10.291 8.972 -7.884 1.00 41.00 C ATOM 874 NE ARG A 59 11.452 9.507 -8.595 1.00 65.13 N ATOM 875 CZ ARG A 59 12.576 8.865 -8.769 1.00 75.01 C ATOM 876 NH1 ARG A 59 12.736 7.672 -8.290 1.00 63.11 N ATOM 877 NH2 ARG A 59 13.546 9.431 -9.409 1.00 2.11 N ATOM 0 H ARG A 59 9.123 9.093 -4.365 1.00 34.04 H new ATOM 0 HA ARG A 59 11.519 8.140 -5.488 1.00 22.04 H new ATOM 0 HB2 ARG A 59 10.538 11.000 -5.098 1.00 24.01 H new ATOM 0 HB3 ARG A 59 11.786 10.500 -6.222 1.00 24.01 H new ATOM 0 HG2 ARG A 59 8.905 9.520 -6.338 1.00 54.31 H new ATOM 0 HG3 ARG A 59 9.517 10.877 -7.264 1.00 54.31 H new ATOM 0 HD2 ARG A 59 10.551 8.015 -7.431 1.00 41.00 H new ATOM 0 HD3 ARG A 59 9.486 8.780 -8.594 1.00 41.00 H new ATOM 0 HE ARG A 59 11.379 10.448 -8.982 1.00 65.13 H new ATOM 0 HH11 ARG A 59 11.980 7.225 -7.771 1.00 63.11 H new ATOM 0 HH12 ARG A 59 13.618 7.180 -8.432 1.00 63.11 H new ATOM 0 HH21 ARG A 59 13.432 10.376 -9.776 1.00 2.11 H new ATOM 0 HH22 ARG A 59 14.425 8.933 -9.547 1.00 2.11 H new ATOM 891 N LEU A 60 11.873 9.719 -2.658 1.00 65.12 N ATOM 892 CA LEU A 60 12.816 10.074 -1.591 1.00 63.10 C ATOM 893 C LEU A 60 13.652 8.865 -1.144 1.00 12.20 C ATOM 894 O LEU A 60 14.746 9.020 -0.606 1.00 61.15 O ATOM 895 CB LEU A 60 12.049 10.645 -0.392 1.00 30.13 C ATOM 896 CG LEU A 60 11.084 11.795 -0.726 1.00 65.14 C ATOM 897 CD1 LEU A 60 10.390 12.306 0.534 1.00 55.35 C ATOM 898 CD2 LEU A 60 11.814 12.926 -1.448 1.00 23.10 C ATOM 0 H LEU A 60 10.892 9.832 -2.401 1.00 65.12 H new ATOM 0 HA LEU A 60 13.500 10.825 -1.986 1.00 63.10 H new ATOM 0 HB2 LEU A 60 11.482 9.839 0.075 1.00 30.13 H new ATOM 0 HB3 LEU A 60 12.769 10.998 0.346 1.00 30.13 H new ATOM 0 HG LEU A 60 10.317 11.409 -1.398 1.00 65.14 H new ATOM 0 HD11 LEU A 60 9.713 13.119 0.272 1.00 55.35 H new ATOM 0 HD12 LEU A 60 9.824 11.495 0.992 1.00 55.35 H new ATOM 0 HD13 LEU A 60 11.138 12.669 1.239 1.00 55.35 H new ATOM 0 HD21 LEU A 60 11.111 13.727 -1.674 1.00 23.10 H new ATOM 0 HD22 LEU A 60 12.610 13.311 -0.810 1.00 23.10 H new ATOM 0 HD23 LEU A 60 12.243 12.548 -2.376 1.00 23.10 H new ATOM 910 N TYR A 61 13.127 7.661 -1.373 1.00 2.24 N ATOM 911 CA TYR A 61 13.817 6.426 -0.985 1.00 3.33 C ATOM 912 C TYR A 61 14.446 5.718 -2.201 1.00 51.40 C ATOM 913 O TYR A 61 14.952 4.602 -2.087 1.00 24.40 O ATOM 914 CB TYR A 61 12.836 5.480 -0.278 1.00 22.23 C ATOM 915 CG TYR A 61 12.154 6.101 0.928 1.00 32.43 C ATOM 916 CD1 TYR A 61 12.723 6.014 2.195 1.00 41.22 C ATOM 917 CD2 TYR A 61 10.946 6.777 0.798 1.00 54.12 C ATOM 918 CE1 TYR A 61 12.109 6.584 3.294 1.00 5.01 C ATOM 919 CE2 TYR A 61 10.327 7.352 1.894 1.00 74.23 C ATOM 920 CZ TYR A 61 10.913 7.250 3.138 1.00 42.52 C ATOM 921 OH TYR A 61 10.303 7.821 4.232 1.00 1.51 O ATOM 0 H TYR A 61 12.225 7.512 -1.826 1.00 2.24 H new ATOM 0 HA TYR A 61 14.624 6.695 -0.303 1.00 3.33 H new ATOM 0 HB2 TYR A 61 12.075 5.160 -0.990 1.00 22.23 H new ATOM 0 HB3 TYR A 61 13.372 4.585 0.039 1.00 22.23 H new ATOM 0 HD1 TYR A 61 13.660 5.492 2.322 1.00 41.22 H new ATOM 0 HD2 TYR A 61 10.483 6.855 -0.175 1.00 54.12 H new ATOM 0 HE1 TYR A 61 12.564 6.508 4.270 1.00 5.01 H new ATOM 0 HE2 TYR A 61 9.391 7.877 1.776 1.00 74.23 H new ATOM 0 HH TYR A 61 9.330 7.762 4.132 1.00 1.51 H new ATOM 931 N GLY A 62 14.414 6.375 -3.361 1.00 22.44 N ATOM 932 CA GLY A 62 14.992 5.799 -4.577 1.00 3.30 C ATOM 933 C GLY A 62 14.012 4.936 -5.376 1.00 33.34 C ATOM 934 O GLY A 62 14.409 4.248 -6.320 1.00 71.04 O ATOM 0 H GLY A 62 13.998 7.298 -3.485 1.00 22.44 H new ATOM 0 HA2 GLY A 62 15.354 6.606 -5.214 1.00 3.30 H new ATOM 0 HA3 GLY A 62 15.857 5.194 -4.306 1.00 3.30 H new ATOM 938 N TYR A 63 12.733 4.965 -5.008 1.00 5.22 N ATOM 939 CA TYR A 63 11.711 4.174 -5.705 1.00 21.30 C ATOM 940 C TYR A 63 10.925 5.031 -6.705 1.00 11.01 C ATOM 941 O TYR A 63 10.475 6.131 -6.385 1.00 64.12 O ATOM 942 CB TYR A 63 10.760 3.524 -4.694 1.00 63.40 C ATOM 943 CG TYR A 63 11.442 2.503 -3.806 1.00 34.12 C ATOM 944 CD1 TYR A 63 12.063 2.885 -2.623 1.00 52.31 C ATOM 945 CD2 TYR A 63 11.469 1.159 -4.153 1.00 11.10 C ATOM 946 CE1 TYR A 63 12.689 1.958 -1.812 1.00 32.12 C ATOM 947 CE2 TYR A 63 12.092 0.226 -3.349 1.00 54.04 C ATOM 948 CZ TYR A 63 12.701 0.632 -2.180 1.00 21.12 C ATOM 949 OH TYR A 63 13.322 -0.294 -1.372 1.00 72.22 O ATOM 0 H TYR A 63 12.376 5.525 -4.234 1.00 5.22 H new ATOM 0 HA TYR A 63 12.220 3.390 -6.266 1.00 21.30 H new ATOM 0 HB2 TYR A 63 10.317 4.300 -4.070 1.00 63.40 H new ATOM 0 HB3 TYR A 63 9.943 3.042 -5.231 1.00 63.40 H new ATOM 0 HD1 TYR A 63 12.056 3.925 -2.332 1.00 52.31 H new ATOM 0 HD2 TYR A 63 10.994 0.838 -5.068 1.00 11.10 H new ATOM 0 HE1 TYR A 63 13.166 2.272 -0.895 1.00 32.12 H new ATOM 0 HE2 TYR A 63 12.103 -0.816 -3.634 1.00 54.04 H new ATOM 0 HH TYR A 63 13.272 0.000 -0.439 1.00 72.22 H new ATOM 959 N LYS A 64 10.760 4.513 -7.919 1.00 35.44 N ATOM 960 CA LYS A 64 10.091 5.248 -9.002 1.00 50.15 C ATOM 961 C LYS A 64 8.580 5.419 -8.756 1.00 31.43 C ATOM 962 O LYS A 64 7.957 6.320 -9.314 1.00 4.42 O ATOM 963 CB LYS A 64 10.350 4.546 -10.341 1.00 35.35 C ATOM 964 CG LYS A 64 11.831 4.508 -10.715 1.00 72.44 C ATOM 965 CD LYS A 64 12.082 3.801 -12.045 1.00 75.43 C ATOM 966 CE LYS A 64 13.561 3.831 -12.418 1.00 63.23 C ATOM 967 NZ LYS A 64 13.836 3.138 -13.704 1.00 30.14 N ATOM 0 H LYS A 64 11.081 3.582 -8.184 1.00 35.44 H new ATOM 0 HA LYS A 64 10.514 6.252 -9.030 1.00 50.15 H new ATOM 0 HB2 LYS A 64 9.967 3.527 -10.291 1.00 35.35 H new ATOM 0 HB3 LYS A 64 9.795 5.058 -11.127 1.00 35.35 H new ATOM 0 HG2 LYS A 64 12.214 5.527 -10.771 1.00 72.44 H new ATOM 0 HG3 LYS A 64 12.388 4.001 -9.927 1.00 72.44 H new ATOM 0 HD2 LYS A 64 11.742 2.767 -11.980 1.00 75.43 H new ATOM 0 HD3 LYS A 64 11.497 4.280 -12.830 1.00 75.43 H new ATOM 0 HE2 LYS A 64 13.894 4.866 -12.488 1.00 63.23 H new ATOM 0 HE3 LYS A 64 14.143 3.362 -11.624 1.00 63.23 H new ATOM 0 HZ1 LYS A 64 14.854 3.186 -13.913 1.00 30.14 H new ATOM 0 HZ2 LYS A 64 13.544 2.143 -13.631 1.00 30.14 H new ATOM 0 HZ3 LYS A 64 13.303 3.600 -14.468 1.00 30.14 H new ATOM 981 N LYS A 65 7.998 4.552 -7.928 1.00 51.42 N ATOM 982 CA LYS A 65 6.587 4.683 -7.534 1.00 12.25 C ATOM 983 C LYS A 65 6.297 3.949 -6.213 1.00 72.10 C ATOM 984 O LYS A 65 7.030 3.036 -5.822 1.00 0.42 O ATOM 985 CB LYS A 65 5.651 4.160 -8.636 1.00 30.23 C ATOM 986 CG LYS A 65 5.906 2.713 -9.059 1.00 1.31 C ATOM 987 CD LYS A 65 4.781 2.185 -9.951 1.00 53.20 C ATOM 988 CE LYS A 65 4.577 3.038 -11.202 1.00 51.11 C ATOM 989 NZ LYS A 65 3.316 2.689 -11.909 1.00 3.25 N ATOM 0 H LYS A 65 8.477 3.751 -7.515 1.00 51.42 H new ATOM 0 HA LYS A 65 6.397 5.746 -7.386 1.00 12.25 H new ATOM 0 HB2 LYS A 65 4.621 4.247 -8.290 1.00 30.23 H new ATOM 0 HB3 LYS A 65 5.748 4.802 -9.511 1.00 30.23 H new ATOM 0 HG2 LYS A 65 6.855 2.650 -9.592 1.00 1.31 H new ATOM 0 HG3 LYS A 65 5.996 2.084 -8.173 1.00 1.31 H new ATOM 0 HD2 LYS A 65 5.007 1.160 -10.247 1.00 53.20 H new ATOM 0 HD3 LYS A 65 3.853 2.155 -9.380 1.00 53.20 H new ATOM 0 HE2 LYS A 65 4.558 4.092 -10.924 1.00 51.11 H new ATOM 0 HE3 LYS A 65 5.422 2.901 -11.877 1.00 51.11 H new ATOM 0 HZ1 LYS A 65 3.213 3.289 -12.752 1.00 3.25 H new ATOM 0 HZ2 LYS A 65 3.344 1.690 -12.196 1.00 3.25 H new ATOM 0 HZ3 LYS A 65 2.507 2.844 -11.273 1.00 3.25 H new ATOM 1003 N LEU A 66 5.217 4.356 -5.539 1.00 13.34 N ATOM 1004 CA LEU A 66 4.808 3.751 -4.259 1.00 42.42 C ATOM 1005 C LEU A 66 4.630 2.229 -4.384 1.00 34.45 C ATOM 1006 O LEU A 66 5.015 1.471 -3.490 1.00 12.13 O ATOM 1007 CB LEU A 66 3.498 4.391 -3.773 1.00 30.24 C ATOM 1008 CG LEU A 66 2.946 3.848 -2.440 1.00 45.13 C ATOM 1009 CD1 LEU A 66 3.912 4.136 -1.290 1.00 33.00 C ATOM 1010 CD2 LEU A 66 1.566 4.433 -2.148 1.00 71.22 C ATOM 0 H LEU A 66 4.604 5.106 -5.858 1.00 13.34 H new ATOM 0 HA LEU A 66 5.599 3.938 -3.533 1.00 42.42 H new ATOM 0 HB2 LEU A 66 3.655 5.465 -3.670 1.00 30.24 H new ATOM 0 HB3 LEU A 66 2.739 4.253 -4.543 1.00 30.24 H new ATOM 0 HG LEU A 66 2.845 2.767 -2.532 1.00 45.13 H new ATOM 0 HD11 LEU A 66 3.499 3.743 -0.361 1.00 33.00 H new ATOM 0 HD12 LEU A 66 4.871 3.658 -1.492 1.00 33.00 H new ATOM 0 HD13 LEU A 66 4.056 5.212 -1.196 1.00 33.00 H new ATOM 0 HD21 LEU A 66 1.195 4.036 -1.203 1.00 71.22 H new ATOM 0 HD22 LEU A 66 1.637 5.519 -2.083 1.00 71.22 H new ATOM 0 HD23 LEU A 66 0.879 4.162 -2.950 1.00 71.22 H new ATOM 1022 N SER A 67 4.050 1.800 -5.506 1.00 51.33 N ATOM 1023 CA SER A 67 3.833 0.373 -5.792 1.00 23.14 C ATOM 1024 C SER A 67 5.107 -0.449 -5.572 1.00 11.22 C ATOM 1025 O SER A 67 5.066 -1.545 -5.010 1.00 54.11 O ATOM 1026 CB SER A 67 3.368 0.183 -7.246 1.00 24.33 C ATOM 1027 OG SER A 67 2.231 0.983 -7.538 1.00 15.42 O ATOM 0 H SER A 67 3.718 2.424 -6.241 1.00 51.33 H new ATOM 0 HA SER A 67 3.065 0.022 -5.103 1.00 23.14 H new ATOM 0 HB2 SER A 67 4.180 0.441 -7.925 1.00 24.33 H new ATOM 0 HB3 SER A 67 3.130 -0.867 -7.419 1.00 24.33 H new ATOM 0 HG SER A 67 1.961 0.841 -8.469 1.00 15.42 H new ATOM 1033 N ASP A 68 6.242 0.098 -6.005 1.00 43.02 N ATOM 1034 CA ASP A 68 7.521 -0.607 -5.919 1.00 53.12 C ATOM 1035 C ASP A 68 8.145 -0.471 -4.515 1.00 62.13 C ATOM 1036 O ASP A 68 8.920 -1.324 -4.079 1.00 0.33 O ATOM 1037 CB ASP A 68 8.476 -0.081 -6.998 1.00 61.55 C ATOM 1038 CG ASP A 68 9.709 -0.950 -7.151 1.00 51.24 C ATOM 1039 OD1 ASP A 68 9.550 -2.148 -7.469 1.00 35.31 O ATOM 1040 OD2 ASP A 68 10.833 -0.448 -6.966 1.00 24.22 O ATOM 0 H ASP A 68 6.302 1.028 -6.419 1.00 43.02 H new ATOM 0 HA ASP A 68 7.343 -1.669 -6.091 1.00 53.12 H new ATOM 0 HB2 ASP A 68 7.950 -0.030 -7.951 1.00 61.55 H new ATOM 0 HB3 ASP A 68 8.780 0.935 -6.747 1.00 61.55 H new ATOM 1045 N LEU A 69 7.790 0.601 -3.810 1.00 34.11 N ATOM 1046 CA LEU A 69 8.253 0.814 -2.433 1.00 5.10 C ATOM 1047 C LEU A 69 7.686 -0.253 -1.482 1.00 31.33 C ATOM 1048 O LEU A 69 8.425 -0.888 -0.726 1.00 31.40 O ATOM 1049 CB LEU A 69 7.838 2.216 -1.953 1.00 73.32 C ATOM 1050 CG LEU A 69 8.121 2.526 -0.467 1.00 34.25 C ATOM 1051 CD1 LEU A 69 9.617 2.490 -0.166 1.00 74.01 C ATOM 1052 CD2 LEU A 69 7.523 3.874 -0.076 1.00 23.41 C ATOM 0 H LEU A 69 7.183 1.339 -4.167 1.00 34.11 H new ATOM 0 HA LEU A 69 9.340 0.732 -2.425 1.00 5.10 H new ATOM 0 HB2 LEU A 69 8.354 2.957 -2.564 1.00 73.32 H new ATOM 0 HB3 LEU A 69 6.770 2.341 -2.134 1.00 73.32 H new ATOM 0 HG LEU A 69 7.644 1.750 0.132 1.00 34.25 H new ATOM 0 HD11 LEU A 69 9.781 2.712 0.888 1.00 74.01 H new ATOM 0 HD12 LEU A 69 10.010 1.499 -0.393 1.00 74.01 H new ATOM 0 HD13 LEU A 69 10.129 3.233 -0.778 1.00 74.01 H new ATOM 0 HD21 LEU A 69 7.733 4.074 0.975 1.00 23.41 H new ATOM 0 HD22 LEU A 69 7.963 4.659 -0.690 1.00 23.41 H new ATOM 0 HD23 LEU A 69 6.445 3.853 -0.233 1.00 23.41 H new ATOM 1064 N VAL A 70 6.372 -0.450 -1.536 1.00 61.23 N ATOM 1065 CA VAL A 70 5.681 -1.383 -0.637 1.00 5.21 C ATOM 1066 C VAL A 70 6.199 -2.826 -0.789 1.00 73.44 C ATOM 1067 O VAL A 70 6.555 -3.475 0.196 1.00 33.42 O ATOM 1068 CB VAL A 70 4.151 -1.357 -0.876 1.00 14.12 C ATOM 1069 CG1 VAL A 70 3.436 -2.275 0.109 1.00 63.15 C ATOM 1070 CG2 VAL A 70 3.615 0.071 -0.776 1.00 4.23 C ATOM 0 H VAL A 70 5.756 0.025 -2.196 1.00 61.23 H new ATOM 0 HA VAL A 70 5.894 -1.049 0.379 1.00 5.21 H new ATOM 0 HB VAL A 70 3.955 -1.724 -1.884 1.00 14.12 H new ATOM 0 HG11 VAL A 70 2.362 -2.242 -0.076 1.00 63.15 H new ATOM 0 HG12 VAL A 70 3.795 -3.296 -0.019 1.00 63.15 H new ATOM 0 HG13 VAL A 70 3.639 -1.944 1.128 1.00 63.15 H new ATOM 0 HG21 VAL A 70 2.538 0.068 -0.947 1.00 4.23 H new ATOM 0 HG22 VAL A 70 3.824 0.469 0.217 1.00 4.23 H new ATOM 0 HG23 VAL A 70 4.100 0.695 -1.527 1.00 4.23 H new ATOM 1080 N LYS A 71 6.255 -3.314 -2.030 1.00 43.42 N ATOM 1081 CA LYS A 71 6.727 -4.682 -2.317 1.00 20.30 C ATOM 1082 C LYS A 71 8.184 -4.909 -1.865 1.00 21.13 C ATOM 1083 O LYS A 71 8.615 -6.048 -1.683 1.00 24.55 O ATOM 1084 CB LYS A 71 6.575 -4.996 -3.814 1.00 33.03 C ATOM 1085 CG LYS A 71 7.176 -3.936 -4.733 1.00 32.35 C ATOM 1086 CD LYS A 71 6.932 -4.240 -6.212 1.00 31.42 C ATOM 1087 CE LYS A 71 7.853 -5.333 -6.741 1.00 75.22 C ATOM 1088 NZ LYS A 71 9.273 -4.899 -6.760 1.00 72.31 N ATOM 0 H LYS A 71 5.980 -2.786 -2.858 1.00 43.42 H new ATOM 0 HA LYS A 71 6.103 -5.365 -1.740 1.00 20.30 H new ATOM 0 HB2 LYS A 71 7.048 -5.955 -4.024 1.00 33.03 H new ATOM 0 HB3 LYS A 71 5.516 -5.106 -4.046 1.00 33.03 H new ATOM 0 HG2 LYS A 71 6.748 -2.963 -4.490 1.00 32.35 H new ATOM 0 HG3 LYS A 71 8.249 -3.867 -4.551 1.00 32.35 H new ATOM 0 HD2 LYS A 71 5.895 -4.544 -6.351 1.00 31.42 H new ATOM 0 HD3 LYS A 71 7.079 -3.331 -6.796 1.00 31.42 H new ATOM 0 HE2 LYS A 71 7.754 -6.223 -6.120 1.00 75.22 H new ATOM 0 HE3 LYS A 71 7.545 -5.611 -7.749 1.00 75.22 H new ATOM 0 HZ1 LYS A 71 9.800 -5.467 -7.453 1.00 72.31 H new ATOM 0 HZ2 LYS A 71 9.325 -3.894 -7.024 1.00 72.31 H new ATOM 0 HZ3 LYS A 71 9.689 -5.031 -5.816 1.00 72.31 H new ATOM 1102 N ALA A 72 8.941 -3.826 -1.697 1.00 71.13 N ATOM 1103 CA ALA A 72 10.331 -3.918 -1.228 1.00 63.25 C ATOM 1104 C ALA A 72 10.427 -3.900 0.310 1.00 4.43 C ATOM 1105 O ALA A 72 11.443 -4.294 0.883 1.00 13.31 O ATOM 1106 CB ALA A 72 11.160 -2.783 -1.816 1.00 52.22 C ATOM 0 H ALA A 72 8.620 -2.875 -1.877 1.00 71.13 H new ATOM 0 HA ALA A 72 10.727 -4.874 -1.570 1.00 63.25 H new ATOM 0 HB1 ALA A 72 12.188 -2.862 -1.461 1.00 52.22 H new ATOM 0 HB2 ALA A 72 11.145 -2.848 -2.904 1.00 52.22 H new ATOM 0 HB3 ALA A 72 10.741 -1.827 -1.504 1.00 52.22 H new ATOM 1112 N ARG A 73 9.367 -3.439 0.974 1.00 21.34 N ATOM 1113 CA ARG A 73 9.354 -3.322 2.442 1.00 53.04 C ATOM 1114 C ARG A 73 8.435 -4.378 3.080 1.00 42.41 C ATOM 1115 O ARG A 73 7.622 -4.068 3.954 1.00 4.43 O ATOM 1116 CB ARG A 73 8.898 -1.909 2.844 1.00 54.34 C ATOM 1117 CG ARG A 73 9.721 -0.786 2.209 1.00 31.04 C ATOM 1118 CD ARG A 73 11.195 -0.861 2.598 1.00 71.05 C ATOM 1119 NE ARG A 73 11.986 0.191 1.955 1.00 14.23 N ATOM 1120 CZ ARG A 73 13.159 0.591 2.375 1.00 73.20 C ATOM 1121 NH1 ARG A 73 13.706 0.057 3.417 1.00 42.44 N ATOM 1122 NH2 ARG A 73 13.793 1.527 1.748 1.00 51.41 N ATOM 0 H ARG A 73 8.503 -3.139 0.523 1.00 21.34 H new ATOM 0 HA ARG A 73 10.366 -3.497 2.809 1.00 53.04 H new ATOM 0 HB2 ARG A 73 7.852 -1.782 2.564 1.00 54.34 H new ATOM 0 HB3 ARG A 73 8.951 -1.816 3.929 1.00 54.34 H new ATOM 0 HG2 ARG A 73 9.630 -0.840 1.124 1.00 31.04 H new ATOM 0 HG3 ARG A 73 9.315 0.178 2.515 1.00 31.04 H new ATOM 0 HD2 ARG A 73 11.289 -0.775 3.681 1.00 71.05 H new ATOM 0 HD3 ARG A 73 11.594 -1.836 2.320 1.00 71.05 H new ATOM 0 HE ARG A 73 11.597 0.641 1.126 1.00 14.23 H new ATOM 0 HH11 ARG A 73 13.223 -0.686 3.923 1.00 42.44 H new ATOM 0 HH12 ARG A 73 14.621 0.378 3.734 1.00 42.44 H new ATOM 0 HH21 ARG A 73 13.379 1.958 0.921 1.00 51.41 H new ATOM 0 HH22 ARG A 73 14.707 1.835 2.080 1.00 51.41 H new ATOM 1136 N THR A 74 8.606 -5.632 2.668 1.00 21.01 N ATOM 1137 CA THR A 74 7.739 -6.742 3.109 1.00 61.22 C ATOM 1138 C THR A 74 7.765 -6.963 4.633 1.00 1.44 C ATOM 1139 O THR A 74 6.838 -7.551 5.194 1.00 21.45 O ATOM 1140 CB THR A 74 8.128 -8.070 2.415 1.00 61.14 C ATOM 1141 OG1 THR A 74 9.501 -8.386 2.694 1.00 43.34 O ATOM 1142 CG2 THR A 74 7.921 -7.978 0.907 1.00 44.42 C ATOM 0 H THR A 74 9.343 -5.915 2.022 1.00 21.01 H new ATOM 0 HA THR A 74 6.729 -6.448 2.823 1.00 61.22 H new ATOM 0 HB THR A 74 7.485 -8.859 2.806 1.00 61.14 H new ATOM 0 HG1 THR A 74 9.739 -9.228 2.253 1.00 43.34 H new ATOM 0 HG21 THR A 74 8.201 -8.924 0.443 1.00 44.42 H new ATOM 0 HG22 THR A 74 6.873 -7.767 0.696 1.00 44.42 H new ATOM 0 HG23 THR A 74 8.541 -7.178 0.503 1.00 44.42 H new ATOM 1150 N ASP A 75 8.834 -6.512 5.291 1.00 1.45 N ATOM 1151 CA ASP A 75 8.954 -6.615 6.753 1.00 14.14 C ATOM 1152 C ASP A 75 7.920 -5.719 7.465 1.00 21.32 C ATOM 1153 O ASP A 75 7.543 -5.964 8.615 1.00 54.34 O ATOM 1154 CB ASP A 75 10.376 -6.233 7.184 1.00 13.40 C ATOM 1155 CG ASP A 75 10.617 -6.456 8.667 1.00 42.23 C ATOM 1156 OD1 ASP A 75 10.695 -7.626 9.093 1.00 63.31 O ATOM 1157 OD2 ASP A 75 10.724 -5.463 9.419 1.00 63.21 O ATOM 0 H ASP A 75 9.633 -6.070 4.837 1.00 1.45 H new ATOM 0 HA ASP A 75 8.754 -7.647 7.042 1.00 14.14 H new ATOM 0 HB2 ASP A 75 11.095 -6.818 6.611 1.00 13.40 H new ATOM 0 HB3 ASP A 75 10.555 -5.185 6.944 1.00 13.40 H new ATOM 1162 N LEU A 76 7.476 -4.675 6.772 1.00 42.22 N ATOM 1163 CA LEU A 76 6.461 -3.756 7.299 1.00 23.54 C ATOM 1164 C LEU A 76 5.087 -4.031 6.673 1.00 32.33 C ATOM 1165 O LEU A 76 4.063 -4.034 7.360 1.00 1.41 O ATOM 1166 CB LEU A 76 6.872 -2.302 7.016 1.00 41.45 C ATOM 1167 CG LEU A 76 8.166 -1.837 7.700 1.00 34.23 C ATOM 1168 CD1 LEU A 76 8.555 -0.438 7.227 1.00 51.30 C ATOM 1169 CD2 LEU A 76 8.014 -1.874 9.219 1.00 31.52 C ATOM 0 H LEU A 76 7.804 -4.439 5.835 1.00 42.22 H new ATOM 0 HA LEU A 76 6.389 -3.915 8.375 1.00 23.54 H new ATOM 0 HB2 LEU A 76 6.986 -2.178 5.939 1.00 41.45 H new ATOM 0 HB3 LEU A 76 6.060 -1.646 7.329 1.00 41.45 H new ATOM 0 HG LEU A 76 8.966 -2.523 7.421 1.00 34.23 H new ATOM 0 HD11 LEU A 76 9.474 -0.128 7.724 1.00 51.30 H new ATOM 0 HD12 LEU A 76 8.712 -0.449 6.148 1.00 51.30 H new ATOM 0 HD13 LEU A 76 7.757 0.263 7.470 1.00 51.30 H new ATOM 0 HD21 LEU A 76 8.941 -1.541 9.686 1.00 31.52 H new ATOM 0 HD22 LEU A 76 7.200 -1.215 9.519 1.00 31.52 H new ATOM 0 HD23 LEU A 76 7.793 -2.893 9.538 1.00 31.52 H new ATOM 1181 N PHE A 77 5.080 -4.260 5.360 1.00 33.12 N ATOM 1182 CA PHE A 77 3.835 -4.441 4.609 1.00 73.24 C ATOM 1183 C PHE A 77 3.755 -5.846 3.987 1.00 34.52 C ATOM 1184 O PHE A 77 4.700 -6.314 3.351 1.00 74.45 O ATOM 1185 CB PHE A 77 3.739 -3.377 3.503 1.00 51.31 C ATOM 1186 CG PHE A 77 4.013 -1.974 3.987 1.00 0.34 C ATOM 1187 CD1 PHE A 77 3.303 -1.440 5.051 1.00 4.24 C ATOM 1188 CD2 PHE A 77 4.990 -1.190 3.381 1.00 40.33 C ATOM 1189 CE1 PHE A 77 3.560 -0.159 5.502 1.00 54.24 C ATOM 1190 CE2 PHE A 77 5.248 0.091 3.828 1.00 32.51 C ATOM 1191 CZ PHE A 77 4.535 0.607 4.890 1.00 45.41 C ATOM 0 H PHE A 77 5.925 -4.325 4.792 1.00 33.12 H new ATOM 0 HA PHE A 77 3.001 -4.330 5.302 1.00 73.24 H new ATOM 0 HB2 PHE A 77 4.446 -3.624 2.711 1.00 51.31 H new ATOM 0 HB3 PHE A 77 2.743 -3.412 3.063 1.00 51.31 H new ATOM 0 HD1 PHE A 77 2.540 -2.032 5.534 1.00 4.24 H new ATOM 0 HD2 PHE A 77 5.554 -1.588 2.550 1.00 40.33 H new ATOM 0 HE1 PHE A 77 2.999 0.244 6.333 1.00 54.24 H new ATOM 0 HE2 PHE A 77 6.008 0.689 3.346 1.00 32.51 H new ATOM 0 HZ PHE A 77 4.738 1.607 5.243 1.00 45.41 H new ATOM 1201 N VAL A 78 2.623 -6.515 4.176 1.00 51.44 N ATOM 1202 CA VAL A 78 2.392 -7.828 3.570 1.00 31.40 C ATOM 1203 C VAL A 78 1.809 -7.667 2.159 1.00 14.30 C ATOM 1204 O VAL A 78 0.716 -7.124 1.990 1.00 24.00 O ATOM 1205 CB VAL A 78 1.422 -8.680 4.426 1.00 33.54 C ATOM 1206 CG1 VAL A 78 1.272 -10.088 3.846 1.00 55.24 C ATOM 1207 CG2 VAL A 78 1.891 -8.732 5.878 1.00 53.51 C ATOM 0 H VAL A 78 1.848 -6.172 4.744 1.00 51.44 H new ATOM 0 HA VAL A 78 3.353 -8.339 3.516 1.00 31.40 H new ATOM 0 HB VAL A 78 0.441 -8.205 4.403 1.00 33.54 H new ATOM 0 HG11 VAL A 78 0.586 -10.666 4.466 1.00 55.24 H new ATOM 0 HG12 VAL A 78 0.878 -10.024 2.832 1.00 55.24 H new ATOM 0 HG13 VAL A 78 2.245 -10.579 3.827 1.00 55.24 H new ATOM 0 HG21 VAL A 78 1.197 -9.335 6.463 1.00 53.51 H new ATOM 0 HG22 VAL A 78 2.885 -9.177 5.924 1.00 53.51 H new ATOM 0 HG23 VAL A 78 1.926 -7.722 6.285 1.00 53.51 H new ATOM 1217 N THR A 79 2.542 -8.138 1.149 1.00 11.20 N ATOM 1218 CA THR A 79 2.140 -7.945 -0.251 1.00 24.33 C ATOM 1219 C THR A 79 1.826 -9.272 -0.952 1.00 64.22 C ATOM 1220 O THR A 79 2.625 -10.209 -0.914 1.00 70.01 O ATOM 1221 CB THR A 79 3.259 -7.241 -1.059 1.00 23.25 C ATOM 1222 OG1 THR A 79 4.397 -8.111 -1.185 1.00 61.05 O ATOM 1223 CG2 THR A 79 3.695 -5.940 -0.389 1.00 43.21 C ATOM 0 H THR A 79 3.414 -8.654 1.270 1.00 11.20 H new ATOM 0 HA THR A 79 1.241 -7.329 -0.222 1.00 24.33 H new ATOM 0 HB THR A 79 2.858 -7.007 -2.045 1.00 23.25 H new ATOM 0 HG1 THR A 79 4.093 -9.040 -1.254 1.00 61.05 H new ATOM 0 HG21 THR A 79 4.481 -5.471 -0.981 1.00 43.21 H new ATOM 0 HG22 THR A 79 2.843 -5.264 -0.317 1.00 43.21 H new ATOM 0 HG23 THR A 79 4.073 -6.154 0.611 1.00 43.21 H new ATOM 1231 N GLU A 80 0.672 -9.338 -1.612 1.00 64.02 N ATOM 1232 CA GLU A 80 0.302 -10.502 -2.432 1.00 44.24 C ATOM 1233 C GLU A 80 -0.529 -10.086 -3.650 1.00 32.31 C ATOM 1234 O GLU A 80 -1.331 -9.149 -3.587 1.00 21.50 O ATOM 1235 CB GLU A 80 -0.482 -11.550 -1.615 1.00 32.42 C ATOM 1236 CG GLU A 80 0.355 -12.307 -0.588 1.00 71.31 C ATOM 1237 CD GLU A 80 -0.398 -13.462 0.058 1.00 74.20 C ATOM 1238 OE1 GLU A 80 -0.721 -14.440 -0.652 1.00 42.03 O ATOM 1239 OE2 GLU A 80 -0.649 -13.414 1.281 1.00 61.33 O ATOM 0 H GLU A 80 -0.030 -8.598 -1.598 1.00 64.02 H new ATOM 0 HA GLU A 80 1.235 -10.950 -2.773 1.00 44.24 H new ATOM 0 HB2 GLU A 80 -1.302 -11.051 -1.099 1.00 32.42 H new ATOM 0 HB3 GLU A 80 -0.928 -12.269 -2.302 1.00 32.42 H new ATOM 0 HG2 GLU A 80 1.253 -12.691 -1.072 1.00 71.31 H new ATOM 0 HG3 GLU A 80 0.682 -11.615 0.188 1.00 71.31 H new ATOM 1246 N GLU A 81 -0.332 -10.792 -4.761 1.00 1.42 N ATOM 1247 CA GLU A 81 -1.116 -10.558 -5.973 1.00 30.13 C ATOM 1248 C GLU A 81 -2.396 -11.402 -5.954 1.00 34.43 C ATOM 1249 O GLU A 81 -2.343 -12.632 -6.022 1.00 74.22 O ATOM 1250 CB GLU A 81 -0.302 -10.910 -7.222 1.00 32.45 C ATOM 1251 CG GLU A 81 1.001 -10.132 -7.370 1.00 43.25 C ATOM 1252 CD GLU A 81 1.737 -10.476 -8.659 1.00 2.32 C ATOM 1253 OE1 GLU A 81 1.843 -11.681 -8.981 1.00 72.32 O ATOM 1254 OE2 GLU A 81 2.197 -9.548 -9.362 1.00 1.33 O ATOM 0 H GLU A 81 0.365 -11.532 -4.848 1.00 1.42 H new ATOM 0 HA GLU A 81 -1.378 -9.500 -6.002 1.00 30.13 H new ATOM 0 HB2 GLU A 81 -0.073 -11.976 -7.202 1.00 32.45 H new ATOM 0 HB3 GLU A 81 -0.918 -10.732 -8.103 1.00 32.45 H new ATOM 0 HG2 GLU A 81 0.788 -9.063 -7.350 1.00 43.25 H new ATOM 0 HG3 GLU A 81 1.647 -10.344 -6.518 1.00 43.25 H new ATOM 1261 N ARG A 82 -3.541 -10.741 -5.870 1.00 62.21 N ATOM 1262 CA ARG A 82 -4.831 -11.432 -5.824 1.00 43.00 C ATOM 1263 C ARG A 82 -5.677 -11.063 -7.048 1.00 22.52 C ATOM 1264 O ARG A 82 -5.804 -9.885 -7.391 1.00 71.44 O ATOM 1265 CB ARG A 82 -5.574 -11.062 -4.532 1.00 44.30 C ATOM 1266 CG ARG A 82 -4.735 -11.245 -3.268 1.00 74.11 C ATOM 1267 CD ARG A 82 -4.478 -12.718 -2.953 1.00 43.42 C ATOM 1268 NE ARG A 82 -5.662 -13.372 -2.389 1.00 63.42 N ATOM 1269 CZ ARG A 82 -5.733 -14.644 -2.097 1.00 1.31 C ATOM 1270 NH1 ARG A 82 -4.764 -15.450 -2.402 1.00 74.25 N ATOM 1271 NH2 ARG A 82 -6.789 -15.114 -1.518 1.00 12.51 N ATOM 0 H ARG A 82 -3.608 -9.724 -5.832 1.00 62.21 H new ATOM 0 HA ARG A 82 -4.657 -12.508 -5.837 1.00 43.00 H new ATOM 0 HB2 ARG A 82 -5.899 -10.023 -4.595 1.00 44.30 H new ATOM 0 HB3 ARG A 82 -6.473 -11.673 -4.452 1.00 44.30 H new ATOM 0 HG2 ARG A 82 -3.782 -10.730 -3.389 1.00 74.11 H new ATOM 0 HG3 ARG A 82 -5.245 -10.779 -2.425 1.00 74.11 H new ATOM 0 HD2 ARG A 82 -4.176 -13.236 -3.863 1.00 43.42 H new ATOM 0 HD3 ARG A 82 -3.649 -12.799 -2.250 1.00 43.42 H new ATOM 0 HE ARG A 82 -6.485 -12.796 -2.213 1.00 63.42 H new ATOM 0 HH11 ARG A 82 -3.934 -15.093 -2.875 1.00 74.25 H new ATOM 0 HH12 ARG A 82 -4.832 -16.441 -2.168 1.00 74.25 H new ATOM 0 HH21 ARG A 82 -7.565 -14.492 -1.290 1.00 12.51 H new ATOM 0 HH22 ARG A 82 -6.846 -16.106 -1.289 1.00 12.51 H new ATOM 1285 N GLN A 83 -6.248 -12.065 -7.709 1.00 24.42 N ATOM 1286 CA GLN A 83 -7.060 -11.822 -8.902 1.00 1.33 C ATOM 1287 C GLN A 83 -8.466 -11.348 -8.501 1.00 63.02 C ATOM 1288 O GLN A 83 -9.136 -11.968 -7.673 1.00 11.01 O ATOM 1289 CB GLN A 83 -7.133 -13.081 -9.780 1.00 21.13 C ATOM 1290 CG GLN A 83 -7.755 -12.832 -11.152 1.00 4.35 C ATOM 1291 CD GLN A 83 -7.829 -14.088 -12.007 1.00 14.22 C ATOM 1292 OE1 GLN A 83 -8.800 -14.836 -11.951 1.00 51.12 O ATOM 1293 NE2 GLN A 83 -6.812 -14.325 -12.809 1.00 13.44 N ATOM 0 H GLN A 83 -6.166 -13.046 -7.444 1.00 24.42 H new ATOM 0 HA GLN A 83 -6.586 -11.035 -9.489 1.00 1.33 H new ATOM 0 HB2 GLN A 83 -6.128 -13.480 -9.913 1.00 21.13 H new ATOM 0 HB3 GLN A 83 -7.713 -13.844 -9.260 1.00 21.13 H new ATOM 0 HG2 GLN A 83 -8.759 -12.428 -11.022 1.00 4.35 H new ATOM 0 HG3 GLN A 83 -7.172 -12.075 -11.677 1.00 4.35 H new ATOM 0 HE21 GLN A 83 -6.020 -13.683 -12.831 1.00 13.44 H new ATOM 0 HE22 GLN A 83 -6.816 -15.151 -13.408 1.00 13.44 H new ATOM 1302 N VAL A 84 -8.907 -10.248 -9.098 1.00 14.35 N ATOM 1303 CA VAL A 84 -10.139 -9.572 -8.666 1.00 62.44 C ATOM 1304 C VAL A 84 -11.396 -10.124 -9.366 1.00 52.52 C ATOM 1305 O VAL A 84 -11.434 -10.228 -10.591 1.00 15.22 O ATOM 1306 CB VAL A 84 -10.049 -8.048 -8.933 1.00 34.02 C ATOM 1307 CG1 VAL A 84 -11.296 -7.322 -8.424 1.00 43.30 C ATOM 1308 CG2 VAL A 84 -8.784 -7.467 -8.306 1.00 41.03 C ATOM 0 H VAL A 84 -8.435 -9.800 -9.883 1.00 14.35 H new ATOM 0 HA VAL A 84 -10.232 -9.764 -7.597 1.00 62.44 H new ATOM 0 HB VAL A 84 -9.997 -7.897 -10.011 1.00 34.02 H new ATOM 0 HG11 VAL A 84 -11.203 -6.255 -8.626 1.00 43.30 H new ATOM 0 HG12 VAL A 84 -12.177 -7.712 -8.933 1.00 43.30 H new ATOM 0 HG13 VAL A 84 -11.397 -7.481 -7.350 1.00 43.30 H new ATOM 0 HG21 VAL A 84 -8.739 -6.396 -8.504 1.00 41.03 H new ATOM 0 HG22 VAL A 84 -8.801 -7.636 -7.229 1.00 41.03 H new ATOM 0 HG23 VAL A 84 -7.908 -7.953 -8.736 1.00 41.03 H new ATOM 1318 N PRO A 85 -12.441 -10.497 -8.587 1.00 4.32 N ATOM 1319 CA PRO A 85 -13.743 -10.914 -9.147 1.00 72.12 C ATOM 1320 C PRO A 85 -14.307 -9.886 -10.146 1.00 65.02 C ATOM 1321 O PRO A 85 -14.432 -8.701 -9.828 1.00 22.43 O ATOM 1322 CB PRO A 85 -14.643 -11.019 -7.908 1.00 73.31 C ATOM 1323 CG PRO A 85 -13.705 -11.311 -6.786 1.00 33.04 C ATOM 1324 CD PRO A 85 -12.433 -10.566 -7.109 1.00 3.34 C ATOM 0 HA PRO A 85 -13.668 -11.842 -9.713 1.00 72.12 H new ATOM 0 HB2 PRO A 85 -15.191 -10.092 -7.736 1.00 73.31 H new ATOM 0 HB3 PRO A 85 -15.384 -11.811 -8.022 1.00 73.31 H new ATOM 0 HG2 PRO A 85 -14.120 -10.981 -5.834 1.00 33.04 H new ATOM 0 HG3 PRO A 85 -13.520 -12.382 -6.700 1.00 33.04 H new ATOM 0 HD2 PRO A 85 -12.424 -9.573 -6.661 1.00 3.34 H new ATOM 0 HD3 PRO A 85 -11.554 -11.092 -6.736 1.00 3.34 H new ATOM 1332 N GLY A 86 -14.628 -10.342 -11.354 1.00 63.20 N ATOM 1333 CA GLY A 86 -15.061 -9.437 -12.417 1.00 14.00 C ATOM 1334 C GLY A 86 -13.920 -9.082 -13.367 1.00 42.50 C ATOM 1335 O GLY A 86 -14.143 -8.623 -14.489 1.00 3.03 O ATOM 0 H GLY A 86 -14.597 -11.326 -11.621 1.00 63.20 H new ATOM 0 HA2 GLY A 86 -15.871 -9.901 -12.980 1.00 14.00 H new ATOM 0 HA3 GLY A 86 -15.462 -8.525 -11.975 1.00 14.00 H new ATOM 1339 N SER A 87 -12.690 -9.302 -12.907 1.00 41.13 N ATOM 1340 CA SER A 87 -11.485 -9.058 -13.709 1.00 75.21 C ATOM 1341 C SER A 87 -10.730 -10.366 -13.961 1.00 60.31 C ATOM 1342 O SER A 87 -10.658 -11.228 -13.084 1.00 22.42 O ATOM 1343 CB SER A 87 -10.543 -8.077 -12.986 1.00 10.41 C ATOM 1344 OG SER A 87 -11.175 -6.832 -12.722 1.00 13.30 O ATOM 0 H SER A 87 -12.497 -9.654 -11.969 1.00 41.13 H new ATOM 0 HA SER A 87 -11.802 -8.630 -14.660 1.00 75.21 H new ATOM 0 HB2 SER A 87 -10.208 -8.520 -12.048 1.00 10.41 H new ATOM 0 HB3 SER A 87 -9.655 -7.911 -13.595 1.00 10.41 H new ATOM 0 HG SER A 87 -10.547 -6.237 -12.261 1.00 13.30 H new ATOM 1350 N THR A 88 -10.187 -10.531 -15.162 1.00 40.34 N ATOM 1351 CA THR A 88 -9.288 -11.656 -15.440 1.00 52.22 C ATOM 1352 C THR A 88 -7.861 -11.313 -15.000 1.00 53.33 C ATOM 1353 O THR A 88 -7.034 -12.196 -14.764 1.00 25.11 O ATOM 1354 CB THR A 88 -9.272 -12.049 -16.936 1.00 21.53 C ATOM 1355 OG1 THR A 88 -8.397 -13.170 -17.139 1.00 52.22 O ATOM 1356 CG2 THR A 88 -8.817 -10.885 -17.811 1.00 44.10 C ATOM 0 H THR A 88 -10.348 -9.910 -15.955 1.00 40.34 H new ATOM 0 HA THR A 88 -9.668 -12.507 -14.874 1.00 52.22 H new ATOM 0 HB THR A 88 -10.289 -12.317 -17.222 1.00 21.53 H new ATOM 0 HG1 THR A 88 -8.393 -13.414 -18.088 1.00 52.22 H new ATOM 0 HG21 THR A 88 -8.817 -11.194 -18.856 1.00 44.10 H new ATOM 0 HG22 THR A 88 -9.498 -10.044 -17.681 1.00 44.10 H new ATOM 0 HG23 THR A 88 -7.810 -10.584 -17.521 1.00 44.10 H new ATOM 1364 N GLN A 89 -7.577 -10.016 -14.897 1.00 32.51 N ATOM 1365 CA GLN A 89 -6.269 -9.547 -14.441 1.00 23.40 C ATOM 1366 C GLN A 89 -6.203 -9.474 -12.906 1.00 34.42 C ATOM 1367 O GLN A 89 -7.227 -9.414 -12.223 1.00 73.11 O ATOM 1368 CB GLN A 89 -5.942 -8.176 -15.050 1.00 41.14 C ATOM 1369 CG GLN A 89 -6.855 -7.047 -14.586 1.00 62.25 C ATOM 1370 CD GLN A 89 -6.446 -5.701 -15.162 1.00 2.41 C ATOM 1371 OE1 GLN A 89 -5.642 -4.980 -14.580 1.00 24.11 O ATOM 1372 NE2 GLN A 89 -6.992 -5.350 -16.306 1.00 44.31 N ATOM 0 H GLN A 89 -8.235 -9.270 -15.123 1.00 32.51 H new ATOM 0 HA GLN A 89 -5.525 -10.269 -14.778 1.00 23.40 H new ATOM 0 HB2 GLN A 89 -4.912 -7.919 -14.803 1.00 41.14 H new ATOM 0 HB3 GLN A 89 -6.000 -8.251 -16.136 1.00 41.14 H new ATOM 0 HG2 GLN A 89 -7.881 -7.269 -14.879 1.00 62.25 H new ATOM 0 HG3 GLN A 89 -6.839 -6.994 -13.497 1.00 62.25 H new ATOM 0 HE21 GLN A 89 -7.657 -5.972 -16.766 1.00 44.31 H new ATOM 0 HE22 GLN A 89 -6.750 -4.456 -16.734 1.00 44.31 H new ATOM 1381 N LYS A 90 -4.989 -9.484 -12.376 1.00 43.21 N ATOM 1382 CA LYS A 90 -4.766 -9.476 -10.929 1.00 32.20 C ATOM 1383 C LYS A 90 -4.494 -8.058 -10.398 1.00 20.55 C ATOM 1384 O LYS A 90 -4.105 -7.160 -11.147 1.00 31.02 O ATOM 1385 CB LYS A 90 -3.579 -10.378 -10.584 1.00 12.02 C ATOM 1386 CG LYS A 90 -2.274 -9.932 -11.246 1.00 20.33 C ATOM 1387 CD LYS A 90 -1.072 -10.751 -10.785 1.00 22.34 C ATOM 1388 CE LYS A 90 -1.236 -12.237 -11.070 1.00 62.02 C ATOM 1389 NZ LYS A 90 -0.024 -13.002 -10.671 1.00 15.12 N ATOM 0 H LYS A 90 -4.132 -9.498 -12.929 1.00 43.21 H new ATOM 0 HA LYS A 90 -5.675 -9.847 -10.455 1.00 32.20 H new ATOM 0 HB2 LYS A 90 -3.444 -10.393 -9.502 1.00 12.02 H new ATOM 0 HB3 LYS A 90 -3.805 -11.399 -10.891 1.00 12.02 H new ATOM 0 HG2 LYS A 90 -2.373 -10.016 -12.328 1.00 20.33 H new ATOM 0 HG3 LYS A 90 -2.099 -8.880 -11.023 1.00 20.33 H new ATOM 0 HD2 LYS A 90 -0.174 -10.385 -11.284 1.00 22.34 H new ATOM 0 HD3 LYS A 90 -0.925 -10.604 -9.715 1.00 22.34 H new ATOM 0 HE2 LYS A 90 -2.103 -12.619 -10.531 1.00 62.02 H new ATOM 0 HE3 LYS A 90 -1.429 -12.386 -12.132 1.00 62.02 H new ATOM 0 HZ1 LYS A 90 -0.308 -13.851 -10.142 1.00 15.12 H new ATOM 0 HZ2 LYS A 90 0.504 -13.284 -11.521 1.00 15.12 H new ATOM 0 HZ3 LYS A 90 0.581 -12.406 -10.070 1.00 15.12 H new ATOM 1403 N ALA A 91 -4.704 -7.866 -9.099 1.00 60.21 N ATOM 1404 CA ALA A 91 -4.375 -6.601 -8.430 1.00 63.14 C ATOM 1405 C ALA A 91 -3.524 -6.851 -7.176 1.00 43.12 C ATOM 1406 O ALA A 91 -3.647 -7.894 -6.527 1.00 3.31 O ATOM 1407 CB ALA A 91 -5.648 -5.845 -8.064 1.00 72.12 C ATOM 0 H ALA A 91 -5.103 -8.573 -8.481 1.00 60.21 H new ATOM 0 HA ALA A 91 -3.794 -5.992 -9.122 1.00 63.14 H new ATOM 0 HB1 ALA A 91 -5.386 -4.910 -7.569 1.00 72.12 H new ATOM 0 HB2 ALA A 91 -6.216 -5.630 -8.969 1.00 72.12 H new ATOM 0 HB3 ALA A 91 -6.253 -6.454 -7.392 1.00 72.12 H new ATOM 1413 N LEU A 92 -2.662 -5.899 -6.839 1.00 62.14 N ATOM 1414 CA LEU A 92 -1.797 -6.027 -5.665 1.00 71.22 C ATOM 1415 C LEU A 92 -2.526 -5.575 -4.389 1.00 13.25 C ATOM 1416 O LEU A 92 -2.904 -4.409 -4.252 1.00 11.02 O ATOM 1417 CB LEU A 92 -0.510 -5.209 -5.859 1.00 12.23 C ATOM 1418 CG LEU A 92 0.521 -5.324 -4.720 1.00 35.32 C ATOM 1419 CD1 LEU A 92 1.127 -6.724 -4.677 1.00 43.44 C ATOM 1420 CD2 LEU A 92 1.615 -4.268 -4.870 1.00 70.12 C ATOM 0 H LEU A 92 -2.541 -5.030 -7.359 1.00 62.14 H new ATOM 0 HA LEU A 92 -1.535 -7.079 -5.552 1.00 71.22 H new ATOM 0 HB2 LEU A 92 -0.036 -5.523 -6.789 1.00 12.23 H new ATOM 0 HB3 LEU A 92 -0.780 -4.160 -5.978 1.00 12.23 H new ATOM 0 HG LEU A 92 0.004 -5.147 -3.777 1.00 35.32 H new ATOM 0 HD11 LEU A 92 1.852 -6.782 -3.865 1.00 43.44 H new ATOM 0 HD12 LEU A 92 0.338 -7.457 -4.511 1.00 43.44 H new ATOM 0 HD13 LEU A 92 1.625 -6.934 -5.624 1.00 43.44 H new ATOM 0 HD21 LEU A 92 2.332 -4.368 -4.055 1.00 70.12 H new ATOM 0 HD22 LEU A 92 2.127 -4.407 -5.822 1.00 70.12 H new ATOM 0 HD23 LEU A 92 1.168 -3.274 -4.840 1.00 70.12 H new ATOM 1432 N TYR A 93 -2.730 -6.511 -3.462 1.00 13.31 N ATOM 1433 CA TYR A 93 -3.369 -6.206 -2.176 1.00 30.21 C ATOM 1434 C TYR A 93 -2.339 -6.144 -1.043 1.00 54.54 C ATOM 1435 O TYR A 93 -1.375 -6.915 -1.015 1.00 34.53 O ATOM 1436 CB TYR A 93 -4.458 -7.233 -1.847 1.00 2.32 C ATOM 1437 CG TYR A 93 -5.700 -7.104 -2.709 1.00 53.02 C ATOM 1438 CD1 TYR A 93 -5.743 -7.624 -3.997 1.00 40.54 C ATOM 1439 CD2 TYR A 93 -6.836 -6.461 -2.227 1.00 61.42 C ATOM 1440 CE1 TYR A 93 -6.880 -7.510 -4.776 1.00 3.01 C ATOM 1441 CE2 TYR A 93 -7.973 -6.341 -2.999 1.00 61.31 C ATOM 1442 CZ TYR A 93 -7.992 -6.867 -4.271 1.00 3.40 C ATOM 1443 OH TYR A 93 -9.128 -6.755 -5.040 1.00 11.30 O ATOM 0 H TYR A 93 -2.463 -7.489 -3.575 1.00 13.31 H new ATOM 0 HA TYR A 93 -3.834 -5.224 -2.267 1.00 30.21 H new ATOM 0 HB2 TYR A 93 -4.047 -8.236 -1.966 1.00 2.32 H new ATOM 0 HB3 TYR A 93 -4.741 -7.126 -0.800 1.00 2.32 H new ATOM 0 HD1 TYR A 93 -4.874 -8.126 -4.396 1.00 40.54 H new ATOM 0 HD2 TYR A 93 -6.827 -6.048 -1.229 1.00 61.42 H new ATOM 0 HE1 TYR A 93 -6.898 -7.922 -5.774 1.00 3.01 H new ATOM 0 HE2 TYR A 93 -8.844 -5.837 -2.607 1.00 61.31 H new ATOM 0 HH TYR A 93 -9.819 -6.276 -4.536 1.00 11.30 H new ATOM 1453 N LEU A 94 -2.562 -5.225 -0.105 1.00 53.02 N ATOM 1454 CA LEU A 94 -1.601 -4.948 0.969 1.00 60.11 C ATOM 1455 C LEU A 94 -2.265 -5.025 2.357 1.00 32.25 C ATOM 1456 O LEU A 94 -3.417 -4.627 2.523 1.00 41.20 O ATOM 1457 CB LEU A 94 -1.021 -3.540 0.768 1.00 34.22 C ATOM 1458 CG LEU A 94 -0.517 -3.229 -0.653 1.00 22.33 C ATOM 1459 CD1 LEU A 94 -0.078 -1.775 -0.765 1.00 21.21 C ATOM 1460 CD2 LEU A 94 0.612 -4.173 -1.057 1.00 34.05 C ATOM 0 H LEU A 94 -3.406 -4.654 -0.065 1.00 53.02 H new ATOM 0 HA LEU A 94 -0.814 -5.701 0.926 1.00 60.11 H new ATOM 0 HB2 LEU A 94 -1.786 -2.810 1.032 1.00 34.22 H new ATOM 0 HB3 LEU A 94 -0.195 -3.403 1.466 1.00 34.22 H new ATOM 0 HG LEU A 94 -1.345 -3.388 -1.344 1.00 22.33 H new ATOM 0 HD11 LEU A 94 0.274 -1.578 -1.778 1.00 21.21 H new ATOM 0 HD12 LEU A 94 -0.921 -1.122 -0.541 1.00 21.21 H new ATOM 0 HD13 LEU A 94 0.728 -1.583 -0.057 1.00 21.21 H new ATOM 0 HD21 LEU A 94 0.947 -3.929 -2.065 1.00 34.05 H new ATOM 0 HD22 LEU A 94 1.444 -4.064 -0.362 1.00 34.05 H new ATOM 0 HD23 LEU A 94 0.252 -5.202 -1.033 1.00 34.05 H new ATOM 1472 N ARG A 95 -1.539 -5.537 3.352 1.00 64.32 N ATOM 1473 CA ARG A 95 -2.007 -5.490 4.749 1.00 54.24 C ATOM 1474 C ARG A 95 -0.827 -5.329 5.723 1.00 71.51 C ATOM 1475 O ARG A 95 0.330 -5.476 5.339 1.00 73.20 O ATOM 1476 CB ARG A 95 -2.828 -6.740 5.113 1.00 5.05 C ATOM 1477 CG ARG A 95 -2.017 -8.029 5.184 1.00 34.15 C ATOM 1478 CD ARG A 95 -2.846 -9.186 5.731 1.00 25.24 C ATOM 1479 NE ARG A 95 -3.375 -8.905 7.067 1.00 64.24 N ATOM 1480 CZ ARG A 95 -3.871 -9.814 7.865 1.00 64.15 C ATOM 1481 NH1 ARG A 95 -3.882 -11.059 7.518 1.00 33.13 N ATOM 1482 NH2 ARG A 95 -4.347 -9.473 9.017 1.00 53.53 N ATOM 0 H ARG A 95 -0.632 -5.986 3.225 1.00 64.32 H new ATOM 0 HA ARG A 95 -2.656 -4.619 4.841 1.00 54.24 H new ATOM 0 HB2 ARG A 95 -3.310 -6.575 6.077 1.00 5.05 H new ATOM 0 HB3 ARG A 95 -3.622 -6.865 4.377 1.00 5.05 H new ATOM 0 HG2 ARG A 95 -1.649 -8.283 4.190 1.00 34.15 H new ATOM 0 HG3 ARG A 95 -1.144 -7.875 5.818 1.00 34.15 H new ATOM 0 HD2 ARG A 95 -3.673 -9.392 5.051 1.00 25.24 H new ATOM 0 HD3 ARG A 95 -2.232 -10.086 5.767 1.00 25.24 H new ATOM 0 HE ARG A 95 -3.355 -7.940 7.396 1.00 64.24 H new ATOM 0 HH11 ARG A 95 -3.501 -11.340 6.614 1.00 33.13 H new ATOM 0 HH12 ARG A 95 -4.271 -11.761 8.148 1.00 33.13 H new ATOM 0 HH21 ARG A 95 -4.336 -8.494 9.304 1.00 53.53 H new ATOM 0 HH22 ARG A 95 -4.734 -10.183 9.639 1.00 53.53 H new ATOM 1496 N ALA A 96 -1.132 -5.020 6.983 1.00 13.21 N ATOM 1497 CA ALA A 96 -0.097 -4.781 7.999 1.00 50.44 C ATOM 1498 C ALA A 96 0.596 -6.079 8.442 1.00 30.33 C ATOM 1499 O ALA A 96 -0.034 -7.134 8.532 1.00 34.05 O ATOM 1500 CB ALA A 96 -0.706 -4.073 9.204 1.00 11.31 C ATOM 0 H ALA A 96 -2.087 -4.928 7.329 1.00 13.21 H new ATOM 0 HA ALA A 96 0.665 -4.147 7.546 1.00 50.44 H new ATOM 0 HB1 ALA A 96 0.067 -3.899 9.953 1.00 11.31 H new ATOM 0 HB2 ALA A 96 -1.128 -3.118 8.890 1.00 11.31 H new ATOM 0 HB3 ALA A 96 -1.493 -4.694 9.632 1.00 11.31 H new ATOM 1506 N LYS A 97 1.901 -5.991 8.706 1.00 21.10 N ATOM 1507 CA LYS A 97 2.669 -7.136 9.213 1.00 32.55 C ATOM 1508 C LYS A 97 2.525 -7.280 10.739 1.00 62.44 C ATOM 1509 O LYS A 97 2.888 -6.380 11.498 1.00 54.35 O ATOM 1510 CB LYS A 97 4.157 -6.994 8.842 1.00 43.11 C ATOM 1511 CG LYS A 97 5.061 -8.076 9.446 1.00 3.44 C ATOM 1512 CD LYS A 97 4.722 -9.474 8.928 1.00 10.24 C ATOM 1513 CE LYS A 97 5.048 -9.625 7.447 1.00 33.24 C ATOM 1514 NZ LYS A 97 4.682 -10.968 6.924 1.00 71.14 N ATOM 0 H LYS A 97 2.450 -5.141 8.578 1.00 21.10 H new ATOM 0 HA LYS A 97 2.265 -8.034 8.745 1.00 32.55 H new ATOM 0 HB2 LYS A 97 4.253 -7.020 7.757 1.00 43.11 H new ATOM 0 HB3 LYS A 97 4.510 -6.016 9.170 1.00 43.11 H new ATOM 0 HG2 LYS A 97 6.101 -7.848 9.214 1.00 3.44 H new ATOM 0 HG3 LYS A 97 4.966 -8.061 10.532 1.00 3.44 H new ATOM 0 HD2 LYS A 97 5.277 -10.218 9.500 1.00 10.24 H new ATOM 0 HD3 LYS A 97 3.663 -9.674 9.089 1.00 10.24 H new ATOM 0 HE2 LYS A 97 4.518 -8.860 6.880 1.00 33.24 H new ATOM 0 HE3 LYS A 97 6.114 -9.455 7.292 1.00 33.24 H new ATOM 0 HZ1 LYS A 97 4.922 -11.024 5.914 1.00 71.14 H new ATOM 0 HZ2 LYS A 97 5.207 -11.699 7.446 1.00 71.14 H new ATOM 0 HZ3 LYS A 97 3.661 -11.122 7.046 1.00 71.14 H new