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 Set 1.1: A 32 GLN : amide:sc= 0.796 K(o=1.1,f=0) USER MOD Set 1.2: A 48 TYR OH : rot 133:sc= 0.345 USER MOD Single : A 19 GLN : amide:sc= -0.0247 K(o=-0.025,f=-0.75) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -24:sc= 0.656 USER MOD Single : A 34 SER OG : rot 50:sc= 1.04 USER MOD Single : A 41 ASN : amide:sc= -0.366 K(o=-0.37,f=-6.2!) USER MOD Single : A 44 ASN : amide:sc= -0.801 X(o=-0.8,f=-0.64) USER MOD Single : A 47 ASN : amide:sc= -0.671 K(o=-0.67,f=-3.4!) USER MOD Single : A 50 ASN : amide:sc= -0.71 K(o=-0.71,f=-0.16) USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= -1.85! (180deg=-4.04!) USER MOD Single : A 53 GLN : amide:sc= 1 K(o=1,f=-0.04) USER MOD Single : A 58 SER OG : rot -130:sc= 0 USER MOD Single : A 61 TYR OH : rot -168:sc= 0.7 USER MOD Single : A 63 TYR OH : rot 180: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= -0.119 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0617) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.69) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= 0.48 (180deg=0.267) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 16.368 8.617 3.991 1.00 71.04 N ATOM 262 CA GLN A 19 15.040 8.918 4.540 1.00 23.15 C ATOM 263 C GLN A 19 14.629 7.891 5.609 1.00 55.22 C ATOM 264 O GLN A 19 15.085 6.743 5.602 1.00 42.54 O ATOM 265 CB GLN A 19 13.991 8.936 3.416 1.00 64.22 C ATOM 266 CG GLN A 19 14.151 10.079 2.417 1.00 5.42 C ATOM 267 CD GLN A 19 13.882 11.445 3.029 1.00 41.32 C ATOM 268 OE1 GLN A 19 13.107 11.578 3.972 1.00 22.24 O ATOM 269 NE2 GLN A 19 14.494 12.472 2.482 1.00 51.04 N ATOM 0 HA GLN A 19 15.091 9.901 5.008 1.00 23.15 H new ATOM 0 HB2 GLN A 19 14.039 7.990 2.877 1.00 64.22 H new ATOM 0 HB3 GLN A 19 12.999 8.998 3.863 1.00 64.22 H new ATOM 0 HG2 GLN A 19 15.163 10.061 2.012 1.00 5.42 H new ATOM 0 HG3 GLN A 19 13.470 9.921 1.581 1.00 5.42 H new ATOM 0 HE21 GLN A 19 15.132 12.328 1.699 1.00 51.04 H new ATOM 0 HE22 GLN A 19 14.331 13.413 2.840 1.00 51.04 H new ATOM 278 N ALA A 20 13.776 8.320 6.537 1.00 44.24 N ATOM 279 CA ALA A 20 13.223 7.430 7.565 1.00 1.52 C ATOM 280 C ALA A 20 11.726 7.167 7.325 1.00 33.54 C ATOM 281 O ALA A 20 10.976 8.080 6.968 1.00 74.30 O ATOM 282 CB ALA A 20 13.445 8.030 8.952 1.00 63.51 C ATOM 0 H ALA A 20 13.449 9.284 6.601 1.00 44.24 H new ATOM 0 HA ALA A 20 13.743 6.474 7.505 1.00 1.52 H new ATOM 0 HB1 ALA A 20 13.031 7.362 9.708 1.00 63.51 H new ATOM 0 HB2 ALA A 20 14.513 8.158 9.126 1.00 63.51 H new ATOM 0 HB3 ALA A 20 12.949 8.999 9.013 1.00 63.51 H new ATOM 288 N PHE A 21 11.302 5.919 7.513 1.00 75.05 N ATOM 289 CA PHE A 21 9.902 5.524 7.290 1.00 4.12 C ATOM 290 C PHE A 21 8.988 5.909 8.469 1.00 40.13 C ATOM 291 O PHE A 21 9.233 5.507 9.610 1.00 51.54 O ATOM 292 CB PHE A 21 9.814 4.004 7.077 1.00 3.43 C ATOM 293 CG PHE A 21 10.396 3.522 5.771 1.00 54.43 C ATOM 294 CD1 PHE A 21 9.747 3.785 4.575 1.00 44.34 C ATOM 295 CD2 PHE A 21 11.583 2.802 5.738 1.00 43.14 C ATOM 296 CE1 PHE A 21 10.266 3.340 3.375 1.00 31.33 C ATOM 297 CE2 PHE A 21 12.106 2.357 4.539 1.00 20.13 C ATOM 298 CZ PHE A 21 11.448 2.626 3.358 1.00 51.44 C ATOM 0 H PHE A 21 11.906 5.157 7.820 1.00 75.05 H new ATOM 0 HA PHE A 21 9.560 6.059 6.404 1.00 4.12 H new ATOM 0 HB2 PHE A 21 10.330 3.504 7.897 1.00 3.43 H new ATOM 0 HB3 PHE A 21 8.768 3.702 7.128 1.00 3.43 H new ATOM 0 HD1 PHE A 21 8.824 4.345 4.581 1.00 44.34 H new ATOM 0 HD2 PHE A 21 12.103 2.587 6.660 1.00 43.14 H new ATOM 0 HE1 PHE A 21 9.748 3.550 2.451 1.00 31.33 H new ATOM 0 HE2 PHE A 21 13.030 1.798 4.527 1.00 20.13 H new ATOM 0 HZ PHE A 21 11.856 2.279 2.420 1.00 51.44 H new ATOM 308 N PRO A 22 7.931 6.706 8.217 1.00 52.33 N ATOM 309 CA PRO A 22 6.853 6.901 9.187 1.00 32.30 C ATOM 310 C PRO A 22 5.752 5.839 9.015 1.00 61.03 C ATOM 311 O PRO A 22 4.877 5.965 8.160 1.00 43.41 O ATOM 312 CB PRO A 22 6.338 8.300 8.834 1.00 22.32 C ATOM 313 CG PRO A 22 6.578 8.444 7.359 1.00 32.40 C ATOM 314 CD PRO A 22 7.719 7.509 6.997 1.00 63.23 C ATOM 0 HA PRO A 22 7.177 6.808 10.223 1.00 32.30 H new ATOM 0 HB2 PRO A 22 5.279 8.402 9.073 1.00 22.32 H new ATOM 0 HB3 PRO A 22 6.868 9.069 9.397 1.00 22.32 H new ATOM 0 HG2 PRO A 22 5.680 8.191 6.796 1.00 32.40 H new ATOM 0 HG3 PRO A 22 6.831 9.474 7.109 1.00 32.40 H new ATOM 0 HD2 PRO A 22 7.462 6.879 6.145 1.00 63.23 H new ATOM 0 HD3 PRO A 22 8.617 8.064 6.724 1.00 63.23 H new ATOM 322 N ARG A 23 5.788 4.791 9.839 1.00 74.12 N ATOM 323 CA ARG A 23 4.894 3.641 9.647 1.00 24.23 C ATOM 324 C ARG A 23 3.503 3.853 10.266 1.00 13.05 C ATOM 325 O ARG A 23 2.525 3.285 9.789 1.00 75.54 O ATOM 326 CB ARG A 23 5.533 2.356 10.197 1.00 43.21 C ATOM 327 CG ARG A 23 5.858 2.396 11.688 1.00 43.25 C ATOM 328 CD ARG A 23 6.395 1.054 12.178 1.00 55.02 C ATOM 329 NE ARG A 23 6.758 1.081 13.593 1.00 24.43 N ATOM 330 CZ ARG A 23 5.911 0.916 14.575 1.00 71.30 C ATOM 331 NH1 ARG A 23 4.640 0.835 14.347 1.00 24.51 N ATOM 332 NH2 ARG A 23 6.335 0.869 15.793 1.00 65.03 N ATOM 0 H ARG A 23 6.417 4.711 10.638 1.00 74.12 H new ATOM 0 HA ARG A 23 4.750 3.539 8.571 1.00 24.23 H new ATOM 0 HB2 ARG A 23 4.859 1.521 10.008 1.00 43.21 H new ATOM 0 HB3 ARG A 23 6.451 2.157 9.644 1.00 43.21 H new ATOM 0 HG2 ARG A 23 6.594 3.176 11.880 1.00 43.25 H new ATOM 0 HG3 ARG A 23 4.962 2.658 12.250 1.00 43.25 H new ATOM 0 HD2 ARG A 23 5.642 0.283 12.014 1.00 55.02 H new ATOM 0 HD3 ARG A 23 7.268 0.778 11.587 1.00 55.02 H new ATOM 0 HE ARG A 23 7.737 1.239 13.830 1.00 24.43 H new ATOM 0 HH11 ARG A 23 4.288 0.900 13.392 1.00 24.51 H new ATOM 0 HH12 ARG A 23 3.990 0.706 15.122 1.00 24.51 H new ATOM 0 HH21 ARG A 23 7.332 0.961 15.990 1.00 65.03 H new ATOM 0 HH22 ARG A 23 5.674 0.740 16.559 1.00 65.03 H new ATOM 346 N LYS A 24 3.411 4.666 11.317 1.00 32.03 N ATOM 347 CA LYS A 24 2.128 4.894 11.998 1.00 23.24 C ATOM 348 C LYS A 24 1.031 5.372 11.032 1.00 72.30 C ATOM 349 O LYS A 24 0.013 4.700 10.854 1.00 63.24 O ATOM 350 CB LYS A 24 2.291 5.909 13.136 1.00 25.11 C ATOM 351 CG LYS A 24 3.142 5.400 14.292 1.00 43.42 C ATOM 352 CD LYS A 24 3.079 6.342 15.490 1.00 25.51 C ATOM 353 CE LYS A 24 3.800 5.764 16.698 1.00 52.42 C ATOM 354 NZ LYS A 24 3.573 6.581 17.917 1.00 2.23 N ATOM 0 H LYS A 24 4.199 5.176 11.716 1.00 32.03 H new ATOM 0 HA LYS A 24 1.816 3.934 12.408 1.00 23.24 H new ATOM 0 HB2 LYS A 24 2.741 6.819 12.738 1.00 25.11 H new ATOM 0 HB3 LYS A 24 1.305 6.180 13.514 1.00 25.11 H new ATOM 0 HG2 LYS A 24 2.799 4.409 14.589 1.00 43.42 H new ATOM 0 HG3 LYS A 24 4.176 5.295 13.965 1.00 43.42 H new ATOM 0 HD2 LYS A 24 3.525 7.300 15.224 1.00 25.51 H new ATOM 0 HD3 LYS A 24 2.037 6.536 15.746 1.00 25.51 H new ATOM 0 HE2 LYS A 24 3.456 4.745 16.874 1.00 52.42 H new ATOM 0 HE3 LYS A 24 4.869 5.708 16.491 1.00 52.42 H new ATOM 0 HZ1 LYS A 24 4.080 6.156 18.719 1.00 2.23 H new ATOM 0 HZ2 LYS A 24 3.924 7.547 17.758 1.00 2.23 H new ATOM 0 HZ3 LYS A 24 2.555 6.613 18.129 1.00 2.23 H new ATOM 368 N PHE A 25 1.252 6.524 10.401 1.00 65.24 N ATOM 369 CA PHE A 25 0.271 7.102 9.473 1.00 2.21 C ATOM 370 C PHE A 25 -0.036 6.155 8.301 1.00 34.24 C ATOM 371 O PHE A 25 -1.174 6.075 7.832 1.00 15.24 O ATOM 372 CB PHE A 25 0.777 8.453 8.945 1.00 62.14 C ATOM 373 CG PHE A 25 0.874 9.521 10.008 1.00 2.43 C ATOM 374 CD1 PHE A 25 2.011 9.640 10.798 1.00 71.34 C ATOM 375 CD2 PHE A 25 -0.176 10.405 10.216 1.00 41.14 C ATOM 376 CE1 PHE A 25 2.094 10.619 11.773 1.00 50.35 C ATOM 377 CE2 PHE A 25 -0.096 11.382 11.190 1.00 51.42 C ATOM 378 CZ PHE A 25 1.039 11.490 11.969 1.00 3.12 C ATOM 0 H PHE A 25 2.101 7.079 10.513 1.00 65.24 H new ATOM 0 HA PHE A 25 -0.657 7.253 10.025 1.00 2.21 H new ATOM 0 HB2 PHE A 25 1.759 8.312 8.493 1.00 62.14 H new ATOM 0 HB3 PHE A 25 0.109 8.798 8.155 1.00 62.14 H new ATOM 0 HD1 PHE A 25 2.838 8.962 10.650 1.00 71.34 H new ATOM 0 HD2 PHE A 25 -1.066 10.328 9.609 1.00 41.14 H new ATOM 0 HE1 PHE A 25 2.983 10.702 12.380 1.00 50.35 H new ATOM 0 HE2 PHE A 25 -0.922 12.061 11.342 1.00 51.42 H new ATOM 0 HZ PHE A 25 1.102 12.254 12.730 1.00 3.12 H new ATOM 388 N VAL A 26 0.982 5.429 7.843 1.00 33.21 N ATOM 389 CA VAL A 26 0.820 4.478 6.741 1.00 44.21 C ATOM 390 C VAL A 26 -0.072 3.290 7.144 1.00 4.41 C ATOM 391 O VAL A 26 -1.015 2.940 6.431 1.00 13.33 O ATOM 392 CB VAL A 26 2.194 3.955 6.246 1.00 53.34 C ATOM 393 CG1 VAL A 26 2.017 2.976 5.092 1.00 72.51 C ATOM 394 CG2 VAL A 26 3.095 5.120 5.834 1.00 61.03 C ATOM 0 H VAL A 26 1.929 5.480 8.217 1.00 33.21 H new ATOM 0 HA VAL A 26 0.332 5.016 5.928 1.00 44.21 H new ATOM 0 HB VAL A 26 2.674 3.425 7.069 1.00 53.34 H new ATOM 0 HG11 VAL A 26 2.994 2.623 4.762 1.00 72.51 H new ATOM 0 HG12 VAL A 26 1.417 2.128 5.423 1.00 72.51 H new ATOM 0 HG13 VAL A 26 1.513 3.476 4.265 1.00 72.51 H new ATOM 0 HG21 VAL A 26 4.054 4.734 5.490 1.00 61.03 H new ATOM 0 HG22 VAL A 26 2.620 5.681 5.029 1.00 61.03 H new ATOM 0 HG23 VAL A 26 3.254 5.777 6.689 1.00 61.03 H new ATOM 404 N LEU A 27 0.220 2.684 8.292 1.00 72.13 N ATOM 405 CA LEU A 27 -0.593 1.578 8.814 1.00 25.12 C ATOM 406 C LEU A 27 -2.013 2.052 9.159 1.00 71.42 C ATOM 407 O LEU A 27 -2.979 1.298 9.031 1.00 23.43 O ATOM 408 CB LEU A 27 0.073 0.953 10.049 1.00 33.43 C ATOM 409 CG LEU A 27 1.435 0.280 9.795 1.00 11.11 C ATOM 410 CD1 LEU A 27 2.034 -0.238 11.101 1.00 1.13 C ATOM 411 CD2 LEU A 27 1.299 -0.849 8.773 1.00 4.15 C ATOM 0 H LEU A 27 1.013 2.937 8.882 1.00 72.13 H new ATOM 0 HA LEU A 27 -0.666 0.820 8.034 1.00 25.12 H new ATOM 0 HB2 LEU A 27 0.205 1.730 10.802 1.00 33.43 H new ATOM 0 HB3 LEU A 27 -0.606 0.212 10.471 1.00 33.43 H new ATOM 0 HG LEU A 27 2.113 1.028 9.385 1.00 11.11 H new ATOM 0 HD11 LEU A 27 2.996 -0.710 10.898 1.00 1.13 H new ATOM 0 HD12 LEU A 27 2.176 0.594 11.791 1.00 1.13 H new ATOM 0 HD13 LEU A 27 1.359 -0.968 11.547 1.00 1.13 H new ATOM 0 HD21 LEU A 27 2.273 -1.310 8.609 1.00 4.15 H new ATOM 0 HD22 LEU A 27 0.601 -1.598 9.149 1.00 4.15 H new ATOM 0 HD23 LEU A 27 0.926 -0.445 7.832 1.00 4.15 H new ATOM 423 N ALA A 28 -2.129 3.306 9.597 1.00 71.04 N ATOM 424 CA ALA A 28 -3.433 3.919 9.863 1.00 50.41 C ATOM 425 C ALA A 28 -4.266 4.023 8.579 1.00 51.44 C ATOM 426 O ALA A 28 -5.450 3.681 8.561 1.00 42.35 O ATOM 427 CB ALA A 28 -3.252 5.297 10.491 1.00 51.21 C ATOM 0 H ALA A 28 -1.334 3.919 9.776 1.00 71.04 H new ATOM 0 HA ALA A 28 -3.971 3.280 10.564 1.00 50.41 H new ATOM 0 HB1 ALA A 28 -4.229 5.740 10.683 1.00 51.21 H new ATOM 0 HB2 ALA A 28 -2.707 5.200 11.430 1.00 51.21 H new ATOM 0 HB3 ALA A 28 -2.691 5.937 9.810 1.00 51.21 H new ATOM 433 N ALA A 29 -3.638 4.501 7.506 1.00 22.45 N ATOM 434 CA ALA A 29 -4.287 4.568 6.195 1.00 42.01 C ATOM 435 C ALA A 29 -4.625 3.166 5.672 1.00 30.43 C ATOM 436 O ALA A 29 -5.689 2.940 5.092 1.00 73.25 O ATOM 437 CB ALA A 29 -3.389 5.297 5.203 1.00 15.41 C ATOM 0 H ALA A 29 -2.679 4.848 7.518 1.00 22.45 H new ATOM 0 HA ALA A 29 -5.220 5.121 6.306 1.00 42.01 H new ATOM 0 HB1 ALA A 29 -3.881 5.341 4.231 1.00 15.41 H new ATOM 0 HB2 ALA A 29 -3.199 6.309 5.560 1.00 15.41 H new ATOM 0 HB3 ALA A 29 -2.444 4.763 5.107 1.00 15.41 H new ATOM 443 N LEU A 30 -3.707 2.232 5.899 1.00 34.44 N ATOM 444 CA LEU A 30 -3.867 0.845 5.467 1.00 54.43 C ATOM 445 C LEU A 30 -5.124 0.200 6.071 1.00 4.31 C ATOM 446 O LEU A 30 -6.011 -0.242 5.340 1.00 63.44 O ATOM 447 CB LEU A 30 -2.612 0.048 5.845 1.00 71.41 C ATOM 448 CG LEU A 30 -2.571 -1.412 5.364 1.00 23.13 C ATOM 449 CD1 LEU A 30 -2.724 -1.496 3.845 1.00 53.40 C ATOM 450 CD2 LEU A 30 -1.272 -2.075 5.811 1.00 22.03 C ATOM 0 H LEU A 30 -2.830 2.414 6.388 1.00 34.44 H new ATOM 0 HA LEU A 30 -3.994 0.834 4.384 1.00 54.43 H new ATOM 0 HB2 LEU A 30 -1.742 0.567 5.443 1.00 71.41 H new ATOM 0 HB3 LEU A 30 -2.514 0.055 6.931 1.00 71.41 H new ATOM 0 HG LEU A 30 -3.410 -1.944 5.813 1.00 23.13 H new ATOM 0 HD11 LEU A 30 -2.691 -2.540 3.533 1.00 53.40 H new ATOM 0 HD12 LEU A 30 -3.678 -1.059 3.551 1.00 53.40 H new ATOM 0 HD13 LEU A 30 -1.912 -0.949 3.367 1.00 53.40 H new ATOM 0 HD21 LEU A 30 -1.253 -3.109 5.465 1.00 22.03 H new ATOM 0 HD22 LEU A 30 -0.424 -1.536 5.389 1.00 22.03 H new ATOM 0 HD23 LEU A 30 -1.209 -2.055 6.899 1.00 22.03 H new ATOM 462 N GLU A 31 -5.211 0.173 7.405 1.00 51.21 N ATOM 463 CA GLU A 31 -6.351 -0.455 8.095 1.00 13.04 C ATOM 464 C GLU A 31 -7.691 0.199 7.701 1.00 61.44 C ATOM 465 O GLU A 31 -8.705 -0.482 7.542 1.00 34.42 O ATOM 466 CB GLU A 31 -6.165 -0.389 9.618 1.00 74.24 C ATOM 467 CG GLU A 31 -6.138 1.027 10.185 1.00 3.14 C ATOM 468 CD GLU A 31 -6.057 1.052 11.702 1.00 65.44 C ATOM 469 OE1 GLU A 31 -7.093 0.825 12.359 1.00 60.35 O ATOM 470 OE2 GLU A 31 -4.963 1.305 12.248 1.00 73.33 O ATOM 0 H GLU A 31 -4.512 0.575 8.029 1.00 51.21 H new ATOM 0 HA GLU A 31 -6.382 -1.499 7.782 1.00 13.04 H new ATOM 0 HB2 GLU A 31 -6.972 -0.944 10.096 1.00 74.24 H new ATOM 0 HB3 GLU A 31 -5.234 -0.891 9.881 1.00 74.24 H new ATOM 0 HG2 GLU A 31 -5.284 1.563 9.771 1.00 3.14 H new ATOM 0 HG3 GLU A 31 -7.034 1.559 9.865 1.00 3.14 H new ATOM 477 N GLN A 32 -7.684 1.521 7.533 1.00 11.23 N ATOM 478 CA GLN A 32 -8.894 2.263 7.149 1.00 11.33 C ATOM 479 C GLN A 32 -9.252 2.037 5.668 1.00 13.53 C ATOM 480 O GLN A 32 -10.394 2.248 5.255 1.00 53.14 O ATOM 481 CB GLN A 32 -8.710 3.759 7.446 1.00 1.11 C ATOM 482 CG GLN A 32 -8.584 4.065 8.937 1.00 62.45 C ATOM 483 CD GLN A 32 -8.351 5.538 9.231 1.00 4.24 C ATOM 484 OE1 GLN A 32 -9.285 6.310 9.419 1.00 1.41 O ATOM 485 NE2 GLN A 32 -7.099 5.938 9.275 1.00 31.21 N ATOM 0 H GLN A 32 -6.856 2.104 7.656 1.00 11.23 H new ATOM 0 HA GLN A 32 -9.726 1.885 7.743 1.00 11.33 H new ATOM 0 HB2 GLN A 32 -7.819 4.118 6.931 1.00 1.11 H new ATOM 0 HB3 GLN A 32 -9.557 4.311 7.039 1.00 1.11 H new ATOM 0 HG2 GLN A 32 -9.491 3.739 9.446 1.00 62.45 H new ATOM 0 HG3 GLN A 32 -7.760 3.484 9.352 1.00 62.45 H new ATOM 0 HE21 GLN A 32 -6.344 5.271 9.114 1.00 31.21 H new ATOM 0 HE22 GLN A 32 -6.882 6.915 9.470 1.00 31.21 H new ATOM 494 N SER A 33 -8.275 1.603 4.873 1.00 30.53 N ATOM 495 CA SER A 33 -8.509 1.272 3.456 1.00 32.15 C ATOM 496 C SER A 33 -8.684 -0.244 3.254 1.00 13.30 C ATOM 497 O SER A 33 -8.886 -0.714 2.131 1.00 11.01 O ATOM 498 CB SER A 33 -7.342 1.774 2.591 1.00 70.14 C ATOM 499 OG SER A 33 -7.552 1.484 1.217 1.00 11.24 O ATOM 0 H SER A 33 -7.311 1.470 5.180 1.00 30.53 H new ATOM 0 HA SER A 33 -9.430 1.768 3.150 1.00 32.15 H new ATOM 0 HB2 SER A 33 -7.226 2.850 2.724 1.00 70.14 H new ATOM 0 HB3 SER A 33 -6.414 1.309 2.925 1.00 70.14 H new ATOM 0 HG SER A 33 -8.157 0.717 1.133 1.00 11.24 H new ATOM 505 N SER A 34 -8.605 -1.001 4.347 1.00 54.03 N ATOM 506 CA SER A 34 -8.697 -2.469 4.290 1.00 51.34 C ATOM 507 C SER A 34 -10.135 -2.952 4.061 1.00 44.33 C ATOM 508 O SER A 34 -11.088 -2.401 4.616 1.00 13.41 O ATOM 509 CB SER A 34 -8.154 -3.096 5.582 1.00 12.32 C ATOM 510 OG SER A 34 -6.781 -2.795 5.770 1.00 64.25 O ATOM 0 H SER A 34 -8.477 -0.626 5.287 1.00 54.03 H new ATOM 0 HA SER A 34 -8.092 -2.787 3.441 1.00 51.34 H new ATOM 0 HB2 SER A 34 -8.727 -2.730 6.434 1.00 12.32 H new ATOM 0 HB3 SER A 34 -8.289 -4.177 5.547 1.00 12.32 H new ATOM 0 HG SER A 34 -6.640 -1.831 5.662 1.00 64.25 H new ATOM 516 N ASP A 35 -10.275 -3.988 3.237 1.00 35.45 N ATOM 517 CA ASP A 35 -11.572 -4.626 2.995 1.00 21.11 C ATOM 518 C ASP A 35 -11.938 -5.602 4.135 1.00 11.11 C ATOM 519 O ASP A 35 -11.215 -5.712 5.126 1.00 22.42 O ATOM 520 CB ASP A 35 -11.531 -5.370 1.655 1.00 10.22 C ATOM 521 CG ASP A 35 -11.297 -4.439 0.476 1.00 40.40 C ATOM 522 OD1 ASP A 35 -12.135 -3.545 0.242 1.00 11.15 O ATOM 523 OD2 ASP A 35 -10.277 -4.595 -0.226 1.00 10.42 O ATOM 0 H ASP A 35 -9.502 -4.408 2.721 1.00 35.45 H new ATOM 0 HA ASP A 35 -12.338 -3.852 2.962 1.00 21.11 H new ATOM 0 HB2 ASP A 35 -10.740 -6.119 1.684 1.00 10.22 H new ATOM 0 HB3 ASP A 35 -12.471 -5.903 1.511 1.00 10.22 H new ATOM 528 N ASP A 36 -13.054 -6.319 3.980 1.00 1.43 N ATOM 529 CA ASP A 36 -13.524 -7.270 5.001 1.00 0.41 C ATOM 530 C ASP A 36 -12.438 -8.297 5.390 1.00 54.53 C ATOM 531 O ASP A 36 -12.322 -8.681 6.557 1.00 54.11 O ATOM 532 CB ASP A 36 -14.774 -7.996 4.490 1.00 65.32 C ATOM 533 CG ASP A 36 -15.332 -8.979 5.505 1.00 3.44 C ATOM 534 OD1 ASP A 36 -16.038 -8.540 6.436 1.00 71.45 O ATOM 535 OD2 ASP A 36 -15.070 -10.195 5.377 1.00 14.52 O ATOM 0 H ASP A 36 -13.653 -6.261 3.156 1.00 1.43 H new ATOM 0 HA ASP A 36 -13.764 -6.700 5.898 1.00 0.41 H new ATOM 0 HB2 ASP A 36 -15.540 -7.262 4.241 1.00 65.32 H new ATOM 0 HB3 ASP A 36 -14.531 -8.528 3.570 1.00 65.32 H new ATOM 540 N ALA A 37 -11.646 -8.729 4.410 1.00 13.20 N ATOM 541 CA ALA A 37 -10.594 -9.733 4.637 1.00 14.50 C ATOM 542 C ALA A 37 -9.347 -9.138 5.316 1.00 24.31 C ATOM 543 O ALA A 37 -8.398 -9.858 5.631 1.00 13.34 O ATOM 544 CB ALA A 37 -10.212 -10.387 3.315 1.00 52.14 C ATOM 0 H ALA A 37 -11.709 -8.401 3.446 1.00 13.20 H new ATOM 0 HA ALA A 37 -10.999 -10.482 5.317 1.00 14.50 H new ATOM 0 HB1 ALA A 37 -9.433 -11.129 3.488 1.00 52.14 H new ATOM 0 HB2 ALA A 37 -11.087 -10.873 2.883 1.00 52.14 H new ATOM 0 HB3 ALA A 37 -9.842 -9.627 2.627 1.00 52.14 H new ATOM 550 N GLY A 38 -9.348 -7.825 5.541 1.00 3.22 N ATOM 551 CA GLY A 38 -8.196 -7.162 6.150 1.00 11.43 C ATOM 552 C GLY A 38 -7.156 -6.700 5.133 1.00 31.44 C ATOM 553 O GLY A 38 -6.182 -6.039 5.487 1.00 72.32 O ATOM 0 H GLY A 38 -10.125 -7.205 5.314 1.00 3.22 H new ATOM 0 HA2 GLY A 38 -8.542 -6.301 6.722 1.00 11.43 H new ATOM 0 HA3 GLY A 38 -7.724 -7.845 6.856 1.00 11.43 H new ATOM 557 N TRP A 39 -7.363 -7.054 3.868 1.00 73.33 N ATOM 558 CA TRP A 39 -6.458 -6.648 2.787 1.00 52.43 C ATOM 559 C TRP A 39 -6.971 -5.389 2.075 1.00 4.10 C ATOM 560 O TRP A 39 -8.161 -5.275 1.776 1.00 62.31 O ATOM 561 CB TRP A 39 -6.307 -7.782 1.764 1.00 21.50 C ATOM 562 CG TRP A 39 -5.634 -9.012 2.304 1.00 21.12 C ATOM 563 CD1 TRP A 39 -6.218 -10.038 2.991 1.00 11.31 C ATOM 564 CD2 TRP A 39 -4.249 -9.348 2.188 1.00 12.03 C ATOM 565 NE1 TRP A 39 -5.277 -10.990 3.301 1.00 72.54 N ATOM 566 CE2 TRP A 39 -4.062 -10.587 2.821 1.00 11.42 C ATOM 567 CE3 TRP A 39 -3.149 -8.716 1.606 1.00 61.35 C ATOM 568 CZ2 TRP A 39 -2.818 -11.207 2.888 1.00 53.33 C ATOM 569 CZ3 TRP A 39 -1.916 -9.330 1.672 1.00 60.12 C ATOM 570 CH2 TRP A 39 -1.759 -10.565 2.309 1.00 35.44 C ATOM 0 H TRP A 39 -8.152 -7.623 3.561 1.00 73.33 H new ATOM 0 HA TRP A 39 -5.489 -6.426 3.234 1.00 52.43 H new ATOM 0 HB2 TRP A 39 -7.295 -8.055 1.393 1.00 21.50 H new ATOM 0 HB3 TRP A 39 -5.736 -7.414 0.911 1.00 21.50 H new ATOM 0 HD1 TRP A 39 -7.265 -10.093 3.252 1.00 11.31 H new ATOM 0 HE1 TRP A 39 -5.456 -11.857 3.807 1.00 72.54 H new ATOM 0 HE3 TRP A 39 -3.262 -7.762 1.112 1.00 61.35 H new ATOM 0 HZ2 TRP A 39 -2.694 -12.161 3.379 1.00 53.33 H new ATOM 0 HZ3 TRP A 39 -1.058 -8.850 1.225 1.00 60.12 H new ATOM 0 HH2 TRP A 39 -0.781 -11.021 2.344 1.00 35.44 H new ATOM 581 N ALA A 40 -6.068 -4.453 1.803 1.00 71.20 N ATOM 582 CA ALA A 40 -6.409 -3.211 1.104 1.00 73.45 C ATOM 583 C ALA A 40 -5.825 -3.184 -0.315 1.00 52.44 C ATOM 584 O ALA A 40 -4.633 -3.419 -0.506 1.00 70.21 O ATOM 585 CB ALA A 40 -5.901 -2.015 1.899 1.00 2.33 C ATOM 0 H ALA A 40 -5.083 -4.529 2.058 1.00 71.20 H new ATOM 0 HA ALA A 40 -7.494 -3.160 1.019 1.00 73.45 H new ATOM 0 HB1 ALA A 40 -6.157 -1.094 1.375 1.00 2.33 H new ATOM 0 HB2 ALA A 40 -6.363 -2.011 2.886 1.00 2.33 H new ATOM 0 HB3 ALA A 40 -4.818 -2.082 2.006 1.00 2.33 H new ATOM 591 N ASN A 41 -6.670 -2.898 -1.304 1.00 54.10 N ATOM 592 CA ASN A 41 -6.224 -2.775 -2.697 1.00 11.21 C ATOM 593 C ASN A 41 -5.266 -1.580 -2.847 1.00 70.34 C ATOM 594 O ASN A 41 -5.571 -0.474 -2.397 1.00 64.41 O ATOM 595 CB ASN A 41 -7.449 -2.613 -3.617 1.00 42.21 C ATOM 596 CG ASN A 41 -7.116 -2.679 -5.102 1.00 23.14 C ATOM 597 OD1 ASN A 41 -6.050 -2.259 -5.547 1.00 3.53 O ATOM 598 ND2 ASN A 41 -8.033 -3.209 -5.889 1.00 33.14 N ATOM 0 H ASN A 41 -7.670 -2.746 -1.169 1.00 54.10 H new ATOM 0 HA ASN A 41 -5.685 -3.678 -2.985 1.00 11.21 H new ATOM 0 HB2 ASN A 41 -8.174 -3.392 -3.382 1.00 42.21 H new ATOM 0 HB3 ASN A 41 -7.928 -1.657 -3.404 1.00 42.21 H new ATOM 0 HD21 ASN A 41 -7.866 -3.278 -6.893 1.00 33.14 H new ATOM 0 HD22 ASN A 41 -8.909 -3.550 -5.494 1.00 33.14 H new ATOM 605 N LEU A 42 -4.116 -1.814 -3.485 1.00 2.24 N ATOM 606 CA LEU A 42 -3.077 -0.785 -3.668 1.00 31.03 C ATOM 607 C LEU A 42 -3.663 0.577 -4.096 1.00 51.30 C ATOM 608 O LEU A 42 -3.283 1.625 -3.567 1.00 2.35 O ATOM 609 CB LEU A 42 -2.063 -1.260 -4.720 1.00 1.01 C ATOM 610 CG LEU A 42 -0.914 -0.285 -5.027 1.00 1.11 C ATOM 611 CD1 LEU A 42 -0.007 -0.110 -3.812 1.00 75.03 C ATOM 612 CD2 LEU A 42 -0.118 -0.761 -6.240 1.00 50.21 C ATOM 0 H LEU A 42 -3.875 -2.719 -3.890 1.00 2.24 H new ATOM 0 HA LEU A 42 -2.588 -0.641 -2.704 1.00 31.03 H new ATOM 0 HB2 LEU A 42 -1.634 -2.204 -4.384 1.00 1.01 H new ATOM 0 HB3 LEU A 42 -2.598 -1.465 -5.647 1.00 1.01 H new ATOM 0 HG LEU A 42 -1.345 0.688 -5.263 1.00 1.11 H new ATOM 0 HD11 LEU A 42 0.797 0.584 -4.055 1.00 75.03 H new ATOM 0 HD12 LEU A 42 -0.588 0.285 -2.978 1.00 75.03 H new ATOM 0 HD13 LEU A 42 0.418 -1.074 -3.533 1.00 75.03 H new ATOM 0 HD21 LEU A 42 0.691 -0.059 -6.443 1.00 50.21 H new ATOM 0 HD22 LEU A 42 0.300 -1.747 -6.037 1.00 50.21 H new ATOM 0 HD23 LEU A 42 -0.776 -0.817 -7.108 1.00 50.21 H new ATOM 624 N GLY A 43 -4.594 0.547 -5.050 1.00 45.33 N ATOM 625 CA GLY A 43 -5.221 1.774 -5.539 1.00 42.24 C ATOM 626 C GLY A 43 -5.981 2.541 -4.454 1.00 51.32 C ATOM 627 O GLY A 43 -5.995 3.776 -4.444 1.00 13.34 O ATOM 0 H GLY A 43 -4.928 -0.307 -5.496 1.00 45.33 H new ATOM 0 HA2 GLY A 43 -4.453 2.422 -5.962 1.00 42.24 H new ATOM 0 HA3 GLY A 43 -5.909 1.525 -6.347 1.00 42.24 H new ATOM 631 N ASN A 44 -6.613 1.810 -3.537 1.00 12.45 N ATOM 632 CA ASN A 44 -7.345 2.421 -2.420 1.00 51.32 C ATOM 633 C ASN A 44 -6.370 2.879 -1.322 1.00 14.25 C ATOM 634 O ASN A 44 -6.487 3.983 -0.784 1.00 11.01 O ATOM 635 CB ASN A 44 -8.359 1.421 -1.844 1.00 61.14 C ATOM 636 CG ASN A 44 -9.310 0.880 -2.897 1.00 20.23 C ATOM 637 OD1 ASN A 44 -9.594 1.536 -3.893 1.00 40.23 O ATOM 638 ND2 ASN A 44 -9.816 -0.318 -2.685 1.00 52.13 N ATOM 0 H ASN A 44 -6.635 0.790 -3.543 1.00 12.45 H new ATOM 0 HA ASN A 44 -7.881 3.294 -2.792 1.00 51.32 H new ATOM 0 HB2 ASN A 44 -7.823 0.591 -1.383 1.00 61.14 H new ATOM 0 HB3 ASN A 44 -8.934 1.906 -1.055 1.00 61.14 H new ATOM 0 HD21 ASN A 44 -10.464 -0.725 -3.360 1.00 52.13 H new ATOM 0 HD22 ASN A 44 -9.560 -0.839 -1.846 1.00 52.13 H new ATOM 645 N PHE A 45 -5.396 2.022 -1.019 1.00 12.11 N ATOM 646 CA PHE A 45 -4.370 2.314 -0.015 1.00 62.35 C ATOM 647 C PHE A 45 -3.624 3.621 -0.332 1.00 41.32 C ATOM 648 O PHE A 45 -3.551 4.519 0.504 1.00 0.32 O ATOM 649 CB PHE A 45 -3.384 1.139 0.071 1.00 72.24 C ATOM 650 CG PHE A 45 -2.181 1.402 0.937 1.00 53.14 C ATOM 651 CD1 PHE A 45 -2.328 1.728 2.276 1.00 21.25 C ATOM 652 CD2 PHE A 45 -0.902 1.311 0.409 1.00 14.33 C ATOM 653 CE1 PHE A 45 -1.221 1.957 3.070 1.00 53.03 C ATOM 654 CE2 PHE A 45 0.206 1.539 1.197 1.00 14.15 C ATOM 655 CZ PHE A 45 0.046 1.862 2.529 1.00 1.15 C ATOM 0 H PHE A 45 -5.295 1.108 -1.460 1.00 12.11 H new ATOM 0 HA PHE A 45 -4.862 2.446 0.949 1.00 62.35 H new ATOM 0 HB2 PHE A 45 -3.910 0.266 0.456 1.00 72.24 H new ATOM 0 HB3 PHE A 45 -3.046 0.889 -0.935 1.00 72.24 H new ATOM 0 HD1 PHE A 45 -3.317 1.804 2.703 1.00 21.25 H new ATOM 0 HD2 PHE A 45 -0.772 1.058 -0.633 1.00 14.33 H new ATOM 0 HE1 PHE A 45 -1.346 2.210 4.112 1.00 53.03 H new ATOM 0 HE2 PHE A 45 1.197 1.465 0.773 1.00 14.15 H new ATOM 0 HZ PHE A 45 0.912 2.041 3.149 1.00 1.15 H new ATOM 665 N GLY A 46 -3.084 3.719 -1.547 1.00 42.04 N ATOM 666 CA GLY A 46 -2.365 4.924 -1.958 1.00 42.30 C ATOM 667 C GLY A 46 -3.221 6.185 -1.875 1.00 14.04 C ATOM 668 O GLY A 46 -2.735 7.256 -1.502 1.00 10.24 O ATOM 0 H GLY A 46 -3.130 2.987 -2.256 1.00 42.04 H new ATOM 0 HA2 GLY A 46 -1.484 5.047 -1.329 1.00 42.30 H new ATOM 0 HA3 GLY A 46 -2.011 4.798 -2.981 1.00 42.30 H new ATOM 672 N ASN A 47 -4.504 6.048 -2.205 1.00 11.42 N ATOM 673 CA ASN A 47 -5.446 7.171 -2.158 1.00 43.51 C ATOM 674 C ASN A 47 -5.564 7.742 -0.733 1.00 4.43 C ATOM 675 O ASN A 47 -5.276 8.920 -0.498 1.00 64.20 O ATOM 676 CB ASN A 47 -6.823 6.712 -2.665 1.00 0.35 C ATOM 677 CG ASN A 47 -7.830 7.846 -2.796 1.00 15.31 C ATOM 678 OD1 ASN A 47 -7.782 8.834 -2.074 1.00 75.31 O ATOM 679 ND2 ASN A 47 -8.757 7.707 -3.721 1.00 5.52 N ATOM 0 H ASN A 47 -4.919 5.167 -2.509 1.00 11.42 H new ATOM 0 HA ASN A 47 -5.068 7.964 -2.803 1.00 43.51 H new ATOM 0 HB2 ASN A 47 -6.702 6.230 -3.635 1.00 0.35 H new ATOM 0 HB3 ASN A 47 -7.221 5.960 -1.983 1.00 0.35 H new ATOM 0 HD21 ASN A 47 -9.461 8.434 -3.851 1.00 5.52 H new ATOM 0 HD22 ASN A 47 -8.771 6.873 -4.307 1.00 5.52 H new ATOM 686 N TYR A 48 -5.982 6.904 0.220 1.00 62.33 N ATOM 687 CA TYR A 48 -6.187 7.356 1.601 1.00 75.11 C ATOM 688 C TYR A 48 -4.850 7.672 2.297 1.00 24.33 C ATOM 689 O TYR A 48 -4.784 8.536 3.175 1.00 45.41 O ATOM 690 CB TYR A 48 -6.976 6.310 2.406 1.00 70.22 C ATOM 691 CG TYR A 48 -7.536 6.858 3.709 1.00 45.12 C ATOM 692 CD1 TYR A 48 -8.669 7.663 3.710 1.00 54.20 C ATOM 693 CD2 TYR A 48 -6.924 6.595 4.930 1.00 42.12 C ATOM 694 CE1 TYR A 48 -9.177 8.185 4.882 1.00 74.41 C ATOM 695 CE2 TYR A 48 -7.424 7.118 6.107 1.00 74.40 C ATOM 696 CZ TYR A 48 -8.552 7.912 6.078 1.00 64.04 C ATOM 697 OH TYR A 48 -9.048 8.445 7.247 1.00 34.03 O ATOM 0 H TYR A 48 -6.184 5.916 0.064 1.00 62.33 H new ATOM 0 HA TYR A 48 -6.769 8.277 1.561 1.00 75.11 H new ATOM 0 HB2 TYR A 48 -7.796 5.933 1.795 1.00 70.22 H new ATOM 0 HB3 TYR A 48 -6.326 5.463 2.625 1.00 70.22 H new ATOM 0 HD1 TYR A 48 -9.162 7.884 2.775 1.00 54.20 H new ATOM 0 HD2 TYR A 48 -6.043 5.971 4.959 1.00 42.12 H new ATOM 0 HE1 TYR A 48 -10.061 8.805 4.861 1.00 74.41 H new ATOM 0 HE2 TYR A 48 -6.934 6.906 7.046 1.00 74.40 H new ATOM 0 HH TYR A 48 -9.100 7.744 7.930 1.00 34.03 H new ATOM 707 N LEU A 49 -3.788 6.977 1.891 1.00 40.22 N ATOM 708 CA LEU A 49 -2.447 7.218 2.440 1.00 42.14 C ATOM 709 C LEU A 49 -2.007 8.671 2.223 1.00 54.32 C ATOM 710 O LEU A 49 -1.578 9.347 3.161 1.00 42.45 O ATOM 711 CB LEU A 49 -1.434 6.255 1.802 1.00 60.41 C ATOM 712 CG LEU A 49 0.032 6.444 2.233 1.00 53.34 C ATOM 713 CD1 LEU A 49 0.172 6.353 3.750 1.00 12.01 C ATOM 714 CD2 LEU A 49 0.932 5.418 1.545 1.00 44.22 C ATOM 0 H LEU A 49 -3.826 6.242 1.185 1.00 40.22 H new ATOM 0 HA LEU A 49 -2.485 7.037 3.514 1.00 42.14 H new ATOM 0 HB2 LEU A 49 -1.734 5.234 2.038 1.00 60.41 H new ATOM 0 HB3 LEU A 49 -1.491 6.362 0.719 1.00 60.41 H new ATOM 0 HG LEU A 49 0.349 7.440 1.925 1.00 53.34 H new ATOM 0 HD11 LEU A 49 1.217 6.490 4.028 1.00 12.01 H new ATOM 0 HD12 LEU A 49 -0.433 7.130 4.218 1.00 12.01 H new ATOM 0 HD13 LEU A 49 -0.168 5.374 4.089 1.00 12.01 H new ATOM 0 HD21 LEU A 49 1.964 5.568 1.863 1.00 44.22 H new ATOM 0 HD22 LEU A 49 0.611 4.412 1.817 1.00 44.22 H new ATOM 0 HD23 LEU A 49 0.864 5.541 0.464 1.00 44.22 H new ATOM 726 N ASN A 50 -2.140 9.156 0.990 1.00 41.03 N ATOM 727 CA ASN A 50 -1.742 10.527 0.654 1.00 11.33 C ATOM 728 C ASN A 50 -2.621 11.569 1.378 1.00 42.33 C ATOM 729 O ASN A 50 -2.238 12.730 1.514 1.00 51.12 O ATOM 730 CB ASN A 50 -1.795 10.734 -0.864 1.00 21.33 C ATOM 731 CG ASN A 50 -1.221 12.074 -1.287 1.00 25.12 C ATOM 732 OD1 ASN A 50 -1.938 13.063 -1.399 1.00 71.31 O ATOM 733 ND2 ASN A 50 0.079 12.120 -1.516 1.00 71.13 N ATOM 0 H ASN A 50 -2.519 8.624 0.207 1.00 41.03 H new ATOM 0 HA ASN A 50 -0.717 10.673 0.996 1.00 11.33 H new ATOM 0 HB2 ASN A 50 -1.242 9.934 -1.356 1.00 21.33 H new ATOM 0 HB3 ASN A 50 -2.829 10.662 -1.202 1.00 21.33 H new ATOM 0 HD21 ASN A 50 0.517 12.998 -1.796 1.00 71.13 H new ATOM 0 HD22 ASN A 50 0.645 11.278 -1.413 1.00 71.13 H new ATOM 740 N LYS A 51 -3.800 11.149 1.842 1.00 4.41 N ATOM 741 CA LYS A 51 -4.681 12.032 2.621 1.00 14.20 C ATOM 742 C LYS A 51 -4.117 12.274 4.031 1.00 70.41 C ATOM 743 O LYS A 51 -4.312 13.341 4.619 1.00 21.13 O ATOM 744 CB LYS A 51 -6.092 11.434 2.730 1.00 65.23 C ATOM 745 CG LYS A 51 -6.762 11.180 1.382 1.00 12.42 C ATOM 746 CD LYS A 51 -8.157 10.568 1.527 1.00 51.10 C ATOM 747 CE LYS A 51 -9.214 11.587 1.962 1.00 32.15 C ATOM 748 NZ LYS A 51 -8.988 12.110 3.336 1.00 24.35 N ATOM 0 H LYS A 51 -4.168 10.209 1.695 1.00 4.41 H new ATOM 0 HA LYS A 51 -4.735 12.986 2.096 1.00 14.20 H new ATOM 0 HB2 LYS A 51 -6.036 10.494 3.280 1.00 65.23 H new ATOM 0 HB3 LYS A 51 -6.718 12.109 3.314 1.00 65.23 H new ATOM 0 HG2 LYS A 51 -6.836 12.119 0.834 1.00 12.42 H new ATOM 0 HG3 LYS A 51 -6.136 10.513 0.789 1.00 12.42 H new ATOM 0 HD2 LYS A 51 -8.455 10.127 0.576 1.00 51.10 H new ATOM 0 HD3 LYS A 51 -8.119 9.758 2.256 1.00 51.10 H new ATOM 0 HE2 LYS A 51 -9.219 12.420 1.259 1.00 32.15 H new ATOM 0 HE3 LYS A 51 -10.199 11.123 1.913 1.00 32.15 H new ATOM 0 HZ1 LYS A 51 -9.904 12.309 3.787 1.00 24.35 H new ATOM 0 HZ2 LYS A 51 -8.472 11.402 3.897 1.00 24.35 H new ATOM 0 HZ3 LYS A 51 -8.429 12.986 3.287 1.00 24.35 H new ATOM 762 N LEU A 52 -3.424 11.274 4.571 1.00 33.02 N ATOM 763 CA LEU A 52 -2.816 11.384 5.903 1.00 44.15 C ATOM 764 C LEU A 52 -1.395 11.960 5.821 1.00 63.42 C ATOM 765 O LEU A 52 -1.007 12.800 6.637 1.00 45.11 O ATOM 766 CB LEU A 52 -2.791 10.012 6.594 1.00 72.45 C ATOM 767 CG LEU A 52 -4.159 9.323 6.749 1.00 5.22 C ATOM 768 CD1 LEU A 52 -4.035 8.050 7.582 1.00 41.44 C ATOM 769 CD2 LEU A 52 -5.181 10.276 7.361 1.00 71.43 C ATOM 0 H LEU A 52 -3.267 10.378 4.110 1.00 33.02 H new ATOM 0 HA LEU A 52 -3.425 12.069 6.493 1.00 44.15 H new ATOM 0 HB2 LEU A 52 -2.133 9.352 6.029 1.00 72.45 H new ATOM 0 HB3 LEU A 52 -2.349 10.131 7.583 1.00 72.45 H new ATOM 0 HG LEU A 52 -4.511 9.043 5.756 1.00 5.22 H new ATOM 0 HD11 LEU A 52 -5.014 7.581 7.678 1.00 41.44 H new ATOM 0 HD12 LEU A 52 -3.348 7.360 7.092 1.00 41.44 H new ATOM 0 HD13 LEU A 52 -3.654 8.299 8.572 1.00 41.44 H new ATOM 0 HD21 LEU A 52 -6.139 9.767 7.461 1.00 71.43 H new ATOM 0 HD22 LEU A 52 -4.837 10.596 8.344 1.00 71.43 H new ATOM 0 HD23 LEU A 52 -5.298 11.147 6.716 1.00 71.43 H new ATOM 781 N GLN A 53 -0.620 11.503 4.837 1.00 10.15 N ATOM 782 CA GLN A 53 0.752 11.990 4.633 1.00 74.25 C ATOM 783 C GLN A 53 1.029 12.317 3.156 1.00 53.12 C ATOM 784 O GLN A 53 1.608 11.505 2.431 1.00 64.23 O ATOM 785 CB GLN A 53 1.782 10.958 5.131 1.00 74.32 C ATOM 786 CG GLN A 53 1.840 10.791 6.646 1.00 62.14 C ATOM 787 CD GLN A 53 2.402 12.012 7.360 1.00 73.52 C ATOM 788 OE1 GLN A 53 3.607 12.134 7.555 1.00 23.23 O ATOM 789 NE2 GLN A 53 1.539 12.918 7.766 1.00 54.43 N ATOM 0 H GLN A 53 -0.916 10.795 4.165 1.00 10.15 H new ATOM 0 HA GLN A 53 0.851 12.908 5.213 1.00 74.25 H new ATOM 0 HB2 GLN A 53 1.553 9.992 4.682 1.00 74.32 H new ATOM 0 HB3 GLN A 53 2.770 11.250 4.774 1.00 74.32 H new ATOM 0 HG2 GLN A 53 0.837 10.587 7.022 1.00 62.14 H new ATOM 0 HG3 GLN A 53 2.453 9.923 6.887 1.00 62.14 H new ATOM 0 HE21 GLN A 53 0.543 12.789 7.589 1.00 54.43 H new ATOM 0 HE22 GLN A 53 1.866 13.750 8.258 1.00 54.43 H new ATOM 798 N PRO A 54 0.620 13.511 2.682 1.00 51.40 N ATOM 799 CA PRO A 54 0.961 13.975 1.323 1.00 60.34 C ATOM 800 C PRO A 54 2.469 14.247 1.172 1.00 24.31 C ATOM 801 O PRO A 54 2.991 14.363 0.063 1.00 35.53 O ATOM 802 CB PRO A 54 0.145 15.270 1.171 1.00 71.44 C ATOM 803 CG PRO A 54 -0.093 15.736 2.569 1.00 75.53 C ATOM 804 CD PRO A 54 -0.214 14.489 3.408 1.00 1.40 C ATOM 0 HA PRO A 54 0.731 13.232 0.559 1.00 60.34 H new ATOM 0 HB2 PRO A 54 0.690 16.016 0.593 1.00 71.44 H new ATOM 0 HB3 PRO A 54 -0.794 15.087 0.650 1.00 71.44 H new ATOM 0 HG2 PRO A 54 0.729 16.362 2.917 1.00 75.53 H new ATOM 0 HG3 PRO A 54 -1.000 16.337 2.631 1.00 75.53 H new ATOM 0 HD2 PRO A 54 0.147 14.651 4.424 1.00 1.40 H new ATOM 0 HD3 PRO A 54 -1.249 14.156 3.487 1.00 1.40 H new ATOM 812 N ASP A 55 3.158 14.346 2.311 1.00 52.10 N ATOM 813 CA ASP A 55 4.614 14.514 2.343 1.00 73.03 C ATOM 814 C ASP A 55 5.336 13.161 2.152 1.00 54.54 C ATOM 815 O ASP A 55 6.550 13.112 1.958 1.00 25.02 O ATOM 816 CB ASP A 55 5.014 15.155 3.678 1.00 31.32 C ATOM 817 CG ASP A 55 6.487 15.512 3.748 1.00 52.13 C ATOM 818 OD1 ASP A 55 6.911 16.443 3.033 1.00 54.34 O ATOM 819 OD2 ASP A 55 7.226 14.885 4.539 1.00 62.02 O ATOM 0 H ASP A 55 2.725 14.312 3.234 1.00 52.10 H new ATOM 0 HA ASP A 55 4.915 15.163 1.521 1.00 73.03 H new ATOM 0 HB2 ASP A 55 4.420 16.055 3.834 1.00 31.32 H new ATOM 0 HB3 ASP A 55 4.773 14.469 4.490 1.00 31.32 H new ATOM 824 N PHE A 56 4.575 12.068 2.202 1.00 10.23 N ATOM 825 CA PHE A 56 5.133 10.716 2.060 1.00 32.53 C ATOM 826 C PHE A 56 4.957 10.193 0.626 1.00 54.22 C ATOM 827 O PHE A 56 3.867 9.768 0.231 1.00 24.34 O ATOM 828 CB PHE A 56 4.463 9.765 3.064 1.00 5.55 C ATOM 829 CG PHE A 56 4.953 8.336 2.996 1.00 11.33 C ATOM 830 CD1 PHE A 56 6.156 7.969 3.584 1.00 1.03 C ATOM 831 CD2 PHE A 56 4.208 7.360 2.345 1.00 71.02 C ATOM 832 CE1 PHE A 56 6.605 6.662 3.523 1.00 74.12 C ATOM 833 CE2 PHE A 56 4.654 6.052 2.283 1.00 42.32 C ATOM 834 CZ PHE A 56 5.853 5.703 2.873 1.00 63.24 C ATOM 0 H PHE A 56 3.565 12.089 2.340 1.00 10.23 H new ATOM 0 HA PHE A 56 6.202 10.761 2.271 1.00 32.53 H new ATOM 0 HB2 PHE A 56 4.629 10.145 4.072 1.00 5.55 H new ATOM 0 HB3 PHE A 56 3.387 9.775 2.893 1.00 5.55 H new ATOM 0 HD1 PHE A 56 6.749 8.713 4.095 1.00 1.03 H new ATOM 0 HD2 PHE A 56 3.269 7.626 1.882 1.00 71.02 H new ATOM 0 HE1 PHE A 56 7.544 6.391 3.984 1.00 74.12 H new ATOM 0 HE2 PHE A 56 4.065 5.304 1.773 1.00 42.32 H new ATOM 0 HZ PHE A 56 6.202 4.682 2.826 1.00 63.24 H new ATOM 844 N ASP A 57 6.025 10.251 -0.163 1.00 22.22 N ATOM 845 CA ASP A 57 5.989 9.754 -1.539 1.00 23.14 C ATOM 846 C ASP A 57 7.135 8.764 -1.814 1.00 43.52 C ATOM 847 O ASP A 57 8.258 8.948 -1.340 1.00 22.23 O ATOM 848 CB ASP A 57 6.044 10.916 -2.531 1.00 44.13 C ATOM 849 CG ASP A 57 5.751 10.453 -3.944 1.00 73.13 C ATOM 850 OD1 ASP A 57 4.587 10.102 -4.225 1.00 72.32 O ATOM 851 OD2 ASP A 57 6.682 10.411 -4.768 1.00 61.43 O ATOM 0 H ASP A 57 6.925 10.636 0.123 1.00 22.22 H new ATOM 0 HA ASP A 57 5.048 9.220 -1.671 1.00 23.14 H new ATOM 0 HB2 ASP A 57 5.322 11.679 -2.240 1.00 44.13 H new ATOM 0 HB3 ASP A 57 7.030 11.380 -2.496 1.00 44.13 H new ATOM 856 N SER A 58 6.836 7.723 -2.592 1.00 71.33 N ATOM 857 CA SER A 58 7.805 6.660 -2.910 1.00 13.33 C ATOM 858 C SER A 58 9.121 7.196 -3.505 1.00 60.12 C ATOM 859 O SER A 58 10.189 6.619 -3.277 1.00 31.00 O ATOM 860 CB SER A 58 7.178 5.658 -3.888 1.00 62.13 C ATOM 861 OG SER A 58 6.720 6.306 -5.067 1.00 54.11 O ATOM 0 H SER A 58 5.920 7.588 -3.021 1.00 71.33 H new ATOM 0 HA SER A 58 8.053 6.174 -1.967 1.00 13.33 H new ATOM 0 HB2 SER A 58 7.911 4.895 -4.151 1.00 62.13 H new ATOM 0 HB3 SER A 58 6.346 5.147 -3.405 1.00 62.13 H new ATOM 0 HG SER A 58 5.797 6.034 -5.252 1.00 54.11 H new ATOM 867 N ARG A 59 9.050 8.294 -4.261 1.00 32.43 N ATOM 868 CA ARG A 59 10.244 8.873 -4.900 1.00 62.40 C ATOM 869 C ARG A 59 11.323 9.248 -3.871 1.00 73.03 C ATOM 870 O ARG A 59 12.519 9.076 -4.119 1.00 21.11 O ATOM 871 CB ARG A 59 9.873 10.115 -5.724 1.00 24.22 C ATOM 872 CG ARG A 59 8.928 9.839 -6.888 1.00 72.12 C ATOM 873 CD ARG A 59 9.507 8.832 -7.878 1.00 55.01 C ATOM 874 NE ARG A 59 8.687 8.736 -9.079 1.00 22.42 N ATOM 875 CZ ARG A 59 9.082 8.204 -10.200 1.00 22.21 C ATOM 876 NH1 ARG A 59 10.256 7.666 -10.300 1.00 32.43 N ATOM 877 NH2 ARG A 59 8.292 8.211 -11.222 1.00 5.14 N ATOM 0 H ARG A 59 8.185 8.801 -4.448 1.00 32.43 H new ATOM 0 HA ARG A 59 10.651 8.106 -5.559 1.00 62.40 H new ATOM 0 HB2 ARG A 59 9.412 10.850 -5.064 1.00 24.22 H new ATOM 0 HB3 ARG A 59 10.787 10.565 -6.112 1.00 24.22 H new ATOM 0 HG2 ARG A 59 7.981 9.462 -6.502 1.00 72.12 H new ATOM 0 HG3 ARG A 59 8.712 10.773 -7.407 1.00 72.12 H new ATOM 0 HD2 ARG A 59 10.520 9.128 -8.150 1.00 55.01 H new ATOM 0 HD3 ARG A 59 9.577 7.853 -7.404 1.00 55.01 H new ATOM 0 HE ARG A 59 7.739 9.111 -9.039 1.00 22.42 H new ATOM 0 HH11 ARG A 59 10.883 7.656 -9.495 1.00 32.43 H new ATOM 0 HH12 ARG A 59 10.554 7.252 -11.184 1.00 32.43 H new ATOM 0 HH21 ARG A 59 7.366 8.631 -11.148 1.00 5.14 H new ATOM 0 HH22 ARG A 59 8.595 7.796 -12.103 1.00 5.14 H new ATOM 891 N LEU A 60 10.891 9.743 -2.711 1.00 71.34 N ATOM 892 CA LEU A 60 11.815 10.175 -1.652 1.00 63.24 C ATOM 893 C LEU A 60 12.734 9.033 -1.192 1.00 53.41 C ATOM 894 O LEU A 60 13.847 9.267 -0.716 1.00 61.23 O ATOM 895 CB LEU A 60 11.024 10.713 -0.453 1.00 24.52 C ATOM 896 CG LEU A 60 10.091 11.897 -0.758 1.00 34.55 C ATOM 897 CD1 LEU A 60 9.337 12.331 0.496 1.00 62.01 C ATOM 898 CD2 LEU A 60 10.878 13.065 -1.349 1.00 71.31 C ATOM 0 H LEU A 60 9.905 9.857 -2.477 1.00 71.34 H new ATOM 0 HA LEU A 60 12.442 10.964 -2.067 1.00 63.24 H new ATOM 0 HB2 LEU A 60 10.428 9.900 -0.038 1.00 24.52 H new ATOM 0 HB3 LEU A 60 11.730 11.018 0.320 1.00 24.52 H new ATOM 0 HG LEU A 60 9.358 11.571 -1.497 1.00 34.55 H new ATOM 0 HD11 LEU A 60 8.684 13.170 0.256 1.00 62.01 H new ATOM 0 HD12 LEU A 60 8.738 11.499 0.867 1.00 62.01 H new ATOM 0 HD13 LEU A 60 10.050 12.635 1.262 1.00 62.01 H new ATOM 0 HD21 LEU A 60 10.200 13.892 -1.558 1.00 71.31 H new ATOM 0 HD22 LEU A 60 11.637 13.389 -0.637 1.00 71.31 H new ATOM 0 HD23 LEU A 60 11.359 12.748 -2.274 1.00 71.31 H new ATOM 910 N TYR A 61 12.264 7.796 -1.340 1.00 4.04 N ATOM 911 CA TYR A 61 13.021 6.617 -0.899 1.00 71.12 C ATOM 912 C TYR A 61 13.725 5.910 -2.072 1.00 70.41 C ATOM 913 O TYR A 61 14.272 4.821 -1.911 1.00 35.42 O ATOM 914 CB TYR A 61 12.087 5.643 -0.173 1.00 24.44 C ATOM 915 CG TYR A 61 11.431 6.243 1.059 1.00 53.14 C ATOM 916 CD1 TYR A 61 10.232 6.944 0.964 1.00 15.14 C ATOM 917 CD2 TYR A 61 12.015 6.111 2.315 1.00 31.45 C ATOM 918 CE1 TYR A 61 9.636 7.491 2.084 1.00 60.35 C ATOM 919 CE2 TYR A 61 11.421 6.657 3.437 1.00 13.32 C ATOM 920 CZ TYR A 61 10.235 7.345 3.317 1.00 3.40 C ATOM 921 OH TYR A 61 9.642 7.885 4.436 1.00 42.33 O ATOM 0 H TYR A 61 11.361 7.580 -1.762 1.00 4.04 H new ATOM 0 HA TYR A 61 13.798 6.957 -0.214 1.00 71.12 H new ATOM 0 HB2 TYR A 61 11.312 5.311 -0.864 1.00 24.44 H new ATOM 0 HB3 TYR A 61 12.653 4.758 0.120 1.00 24.44 H new ATOM 0 HD1 TYR A 61 9.760 7.062 -0.000 1.00 15.14 H new ATOM 0 HD2 TYR A 61 12.947 5.574 2.415 1.00 31.45 H new ATOM 0 HE1 TYR A 61 8.705 8.031 1.994 1.00 60.35 H new ATOM 0 HE2 TYR A 61 11.886 6.544 4.405 1.00 13.32 H new ATOM 0 HH TYR A 61 10.274 7.862 5.185 1.00 42.33 H new ATOM 931 N GLY A 62 13.711 6.540 -3.248 1.00 52.03 N ATOM 932 CA GLY A 62 14.399 5.986 -4.413 1.00 35.14 C ATOM 933 C GLY A 62 13.609 4.904 -5.148 1.00 42.43 C ATOM 934 O GLY A 62 14.189 4.076 -5.855 1.00 63.20 O ATOM 0 H GLY A 62 13.235 7.426 -3.417 1.00 52.03 H new ATOM 0 HA2 GLY A 62 14.621 6.795 -5.109 1.00 35.14 H new ATOM 0 HA3 GLY A 62 15.354 5.569 -4.093 1.00 35.14 H new ATOM 938 N TYR A 63 12.286 4.904 -4.992 1.00 3.41 N ATOM 939 CA TYR A 63 11.422 3.933 -5.684 1.00 74.54 C ATOM 940 C TYR A 63 10.613 4.602 -6.806 1.00 72.34 C ATOM 941 O TYR A 63 10.323 5.796 -6.747 1.00 54.23 O ATOM 942 CB TYR A 63 10.478 3.253 -4.686 1.00 0.23 C ATOM 943 CG TYR A 63 11.196 2.363 -3.686 1.00 1.33 C ATOM 944 CD1 TYR A 63 11.758 2.892 -2.532 1.00 25.44 C ATOM 945 CD2 TYR A 63 11.314 0.995 -3.902 1.00 2.51 C ATOM 946 CE1 TYR A 63 12.415 2.085 -1.623 1.00 62.44 C ATOM 947 CE2 TYR A 63 11.968 0.183 -2.998 1.00 72.03 C ATOM 948 CZ TYR A 63 12.518 0.732 -1.859 1.00 5.54 C ATOM 949 OH TYR A 63 13.171 -0.073 -0.948 1.00 45.23 O ATOM 0 H TYR A 63 11.784 5.562 -4.395 1.00 3.41 H new ATOM 0 HA TYR A 63 12.066 3.179 -6.137 1.00 74.54 H new ATOM 0 HB2 TYR A 63 9.921 4.018 -4.145 1.00 0.23 H new ATOM 0 HB3 TYR A 63 9.750 2.656 -5.235 1.00 0.23 H new ATOM 0 HD1 TYR A 63 11.680 3.952 -2.342 1.00 25.44 H new ATOM 0 HD2 TYR A 63 10.886 0.560 -4.793 1.00 2.51 H new ATOM 0 HE1 TYR A 63 12.846 2.514 -0.730 1.00 62.44 H new ATOM 0 HE2 TYR A 63 12.049 -0.878 -3.182 1.00 72.03 H new ATOM 0 HH TYR A 63 13.155 -1.001 -1.261 1.00 45.23 H new ATOM 959 N LYS A 64 10.251 3.825 -7.827 1.00 11.23 N ATOM 960 CA LYS A 64 9.513 4.356 -8.981 1.00 11.31 C ATOM 961 C LYS A 64 8.022 4.567 -8.662 1.00 24.43 C ATOM 962 O LYS A 64 7.387 5.480 -9.194 1.00 40.33 O ATOM 963 CB LYS A 64 9.682 3.420 -10.185 1.00 5.41 C ATOM 964 CG LYS A 64 11.144 3.169 -10.555 1.00 1.52 C ATOM 965 CD LYS A 64 11.292 2.309 -11.811 1.00 14.14 C ATOM 966 CE LYS A 64 10.783 3.023 -13.060 1.00 62.42 C ATOM 967 NZ LYS A 64 11.125 2.280 -14.304 1.00 74.41 N ATOM 0 H LYS A 64 10.455 2.827 -7.882 1.00 11.23 H new ATOM 0 HA LYS A 64 9.930 5.333 -9.225 1.00 11.31 H new ATOM 0 HB2 LYS A 64 9.201 2.467 -9.966 1.00 5.41 H new ATOM 0 HB3 LYS A 64 9.165 3.848 -11.044 1.00 5.41 H new ATOM 0 HG2 LYS A 64 11.645 4.124 -10.712 1.00 1.52 H new ATOM 0 HG3 LYS A 64 11.647 2.679 -9.722 1.00 1.52 H new ATOM 0 HD2 LYS A 64 12.341 2.045 -11.947 1.00 14.14 H new ATOM 0 HD3 LYS A 64 10.743 1.377 -11.678 1.00 14.14 H new ATOM 0 HE2 LYS A 64 9.702 3.142 -12.994 1.00 62.42 H new ATOM 0 HE3 LYS A 64 11.212 4.024 -13.106 1.00 62.42 H new ATOM 0 HZ1 LYS A 64 10.761 2.798 -15.129 1.00 74.41 H new ATOM 0 HZ2 LYS A 64 12.158 2.188 -14.381 1.00 74.41 H new ATOM 0 HZ3 LYS A 64 10.695 1.334 -14.273 1.00 74.41 H new ATOM 981 N LYS A 65 7.469 3.718 -7.798 1.00 1.23 N ATOM 982 CA LYS A 65 6.088 3.883 -7.326 1.00 30.12 C ATOM 983 C LYS A 65 5.855 3.157 -5.990 1.00 1.21 C ATOM 984 O LYS A 65 6.721 2.421 -5.508 1.00 4.32 O ATOM 985 CB LYS A 65 5.072 3.399 -8.376 1.00 63.12 C ATOM 986 CG LYS A 65 5.230 1.937 -8.790 1.00 32.53 C ATOM 987 CD LYS A 65 4.045 1.463 -9.636 1.00 72.02 C ATOM 988 CE LYS A 65 3.846 2.323 -10.882 1.00 72.22 C ATOM 989 NZ LYS A 65 2.588 1.984 -11.598 1.00 13.33 N ATOM 0 H LYS A 65 7.952 2.908 -7.409 1.00 1.23 H new ATOM 0 HA LYS A 65 5.935 4.950 -7.166 1.00 30.12 H new ATOM 0 HB2 LYS A 65 4.066 3.544 -7.982 1.00 63.12 H new ATOM 0 HB3 LYS A 65 5.161 4.026 -9.264 1.00 63.12 H new ATOM 0 HG2 LYS A 65 6.154 1.816 -9.355 1.00 32.53 H new ATOM 0 HG3 LYS A 65 5.316 1.313 -7.900 1.00 32.53 H new ATOM 0 HD2 LYS A 65 4.205 0.427 -9.934 1.00 72.02 H new ATOM 0 HD3 LYS A 65 3.138 1.485 -9.032 1.00 72.02 H new ATOM 0 HE2 LYS A 65 3.829 3.375 -10.597 1.00 72.22 H new ATOM 0 HE3 LYS A 65 4.693 2.189 -11.554 1.00 72.22 H new ATOM 0 HZ1 LYS A 65 2.492 2.591 -12.437 1.00 13.33 H new ATOM 0 HZ2 LYS A 65 2.614 0.987 -11.893 1.00 13.33 H new ATOM 0 HZ3 LYS A 65 1.777 2.137 -10.966 1.00 13.33 H new ATOM 1003 N LEU A 66 4.675 3.366 -5.406 1.00 65.53 N ATOM 1004 CA LEU A 66 4.345 2.832 -4.077 1.00 72.22 C ATOM 1005 C LEU A 66 4.449 1.297 -4.017 1.00 54.33 C ATOM 1006 O LEU A 66 4.977 0.745 -3.052 1.00 3.41 O ATOM 1007 CB LEU A 66 2.931 3.281 -3.670 1.00 52.24 C ATOM 1008 CG LEU A 66 2.482 2.866 -2.258 1.00 21.15 C ATOM 1009 CD1 LEU A 66 3.409 3.456 -1.195 1.00 61.42 C ATOM 1010 CD2 LEU A 66 1.036 3.289 -2.011 1.00 20.21 C ATOM 0 H LEU A 66 3.923 3.906 -5.834 1.00 65.53 H new ATOM 0 HA LEU A 66 5.077 3.231 -3.375 1.00 72.22 H new ATOM 0 HB2 LEU A 66 2.879 4.367 -3.744 1.00 52.24 H new ATOM 0 HB3 LEU A 66 2.220 2.878 -4.391 1.00 52.24 H new ATOM 0 HG LEU A 66 2.539 1.780 -2.187 1.00 21.15 H new ATOM 0 HD11 LEU A 66 3.070 3.148 -0.206 1.00 61.42 H new ATOM 0 HD12 LEU A 66 4.425 3.097 -1.359 1.00 61.42 H new ATOM 0 HD13 LEU A 66 3.393 4.544 -1.262 1.00 61.42 H new ATOM 0 HD21 LEU A 66 0.735 2.988 -1.008 1.00 20.21 H new ATOM 0 HD22 LEU A 66 0.953 4.372 -2.105 1.00 20.21 H new ATOM 0 HD23 LEU A 66 0.387 2.810 -2.744 1.00 20.21 H new ATOM 1022 N SER A 67 3.954 0.615 -5.049 1.00 61.45 N ATOM 1023 CA SER A 67 3.968 -0.861 -5.084 1.00 72.13 C ATOM 1024 C SER A 67 5.385 -1.423 -4.889 1.00 4.24 C ATOM 1025 O SER A 67 5.606 -2.297 -4.049 1.00 73.03 O ATOM 1026 CB SER A 67 3.398 -1.378 -6.412 1.00 43.22 C ATOM 1027 OG SER A 67 4.193 -0.970 -7.514 1.00 71.12 O ATOM 0 H SER A 67 3.538 1.051 -5.872 1.00 61.45 H new ATOM 0 HA SER A 67 3.343 -1.204 -4.259 1.00 72.13 H new ATOM 0 HB2 SER A 67 3.342 -2.466 -6.386 1.00 43.22 H new ATOM 0 HB3 SER A 67 2.380 -1.009 -6.540 1.00 43.22 H new ATOM 0 HG SER A 67 3.804 -1.317 -8.344 1.00 71.12 H new ATOM 1033 N ASP A 68 6.336 -0.909 -5.670 1.00 63.44 N ATOM 1034 CA ASP A 68 7.739 -1.334 -5.591 1.00 14.03 C ATOM 1035 C ASP A 68 8.317 -1.094 -4.181 1.00 42.24 C ATOM 1036 O ASP A 68 9.133 -1.875 -3.689 1.00 32.34 O ATOM 1037 CB ASP A 68 8.560 -0.582 -6.649 1.00 25.40 C ATOM 1038 CG ASP A 68 9.980 -1.100 -6.788 1.00 3.44 C ATOM 1039 OD1 ASP A 68 10.192 -2.323 -6.655 1.00 52.23 O ATOM 1040 OD2 ASP A 68 10.890 -0.288 -7.057 1.00 52.33 O ATOM 0 H ASP A 68 6.160 -0.190 -6.372 1.00 63.44 H new ATOM 0 HA ASP A 68 7.792 -2.405 -5.787 1.00 14.03 H new ATOM 0 HB2 ASP A 68 8.056 -0.660 -7.613 1.00 25.40 H new ATOM 0 HB3 ASP A 68 8.591 0.476 -6.390 1.00 25.40 H new ATOM 1045 N LEU A 69 7.876 -0.014 -3.541 1.00 54.02 N ATOM 1046 CA LEU A 69 8.271 0.293 -2.162 1.00 12.41 C ATOM 1047 C LEU A 69 7.728 -0.755 -1.178 1.00 24.21 C ATOM 1048 O LEU A 69 8.482 -1.355 -0.406 1.00 71.24 O ATOM 1049 CB LEU A 69 7.764 1.691 -1.769 1.00 0.24 C ATOM 1050 CG LEU A 69 7.942 2.068 -0.285 1.00 73.41 C ATOM 1051 CD1 LEU A 69 9.418 2.109 0.097 1.00 2.04 C ATOM 1052 CD2 LEU A 69 7.264 3.404 0.019 1.00 62.40 C ATOM 0 H LEU A 69 7.241 0.669 -3.955 1.00 54.02 H new ATOM 0 HA LEU A 69 9.360 0.273 -2.111 1.00 12.41 H new ATOM 0 HB2 LEU A 69 8.282 2.431 -2.379 1.00 0.24 H new ATOM 0 HB3 LEU A 69 6.705 1.758 -2.018 1.00 0.24 H new ATOM 0 HG LEU A 69 7.462 1.297 0.318 1.00 73.41 H new ATOM 0 HD11 LEU A 69 9.514 2.377 1.149 1.00 2.04 H new ATOM 0 HD12 LEU A 69 9.864 1.129 -0.070 1.00 2.04 H new ATOM 0 HD13 LEU A 69 9.932 2.850 -0.515 1.00 2.04 H new ATOM 0 HD21 LEU A 69 7.402 3.651 1.072 1.00 62.40 H new ATOM 0 HD22 LEU A 69 7.707 4.186 -0.598 1.00 62.40 H new ATOM 0 HD23 LEU A 69 6.199 3.329 -0.200 1.00 62.40 H new ATOM 1064 N VAL A 70 6.415 -0.974 -1.220 1.00 30.04 N ATOM 1065 CA VAL A 70 5.741 -1.886 -0.288 1.00 74.11 C ATOM 1066 C VAL A 70 6.286 -3.323 -0.388 1.00 75.51 C ATOM 1067 O VAL A 70 6.617 -3.943 0.624 1.00 73.10 O ATOM 1068 CB VAL A 70 4.209 -1.894 -0.527 1.00 52.21 C ATOM 1069 CG1 VAL A 70 3.508 -2.789 0.488 1.00 24.25 C ATOM 1070 CG2 VAL A 70 3.643 -0.475 -0.472 1.00 54.44 C ATOM 0 H VAL A 70 5.790 -0.530 -1.893 1.00 30.04 H new ATOM 0 HA VAL A 70 5.947 -1.514 0.716 1.00 74.11 H new ATOM 0 HB VAL A 70 4.025 -2.297 -1.523 1.00 52.21 H new ATOM 0 HG11 VAL A 70 2.434 -2.779 0.301 1.00 24.25 H new ATOM 0 HG12 VAL A 70 3.883 -3.808 0.395 1.00 24.25 H new ATOM 0 HG13 VAL A 70 3.704 -2.421 1.495 1.00 24.25 H new ATOM 0 HG21 VAL A 70 2.567 -0.506 -0.642 1.00 54.44 H new ATOM 0 HG22 VAL A 70 3.843 -0.041 0.508 1.00 54.44 H new ATOM 0 HG23 VAL A 70 4.115 0.135 -1.242 1.00 54.44 H new ATOM 1080 N LYS A 71 6.396 -3.845 -1.612 1.00 43.40 N ATOM 1081 CA LYS A 71 6.886 -5.218 -1.823 1.00 42.55 C ATOM 1082 C LYS A 71 8.359 -5.368 -1.402 1.00 64.30 C ATOM 1083 O LYS A 71 8.793 -6.454 -1.021 1.00 50.52 O ATOM 1084 CB LYS A 71 6.705 -5.641 -3.290 1.00 23.02 C ATOM 1085 CG LYS A 71 7.471 -4.779 -4.291 1.00 43.33 C ATOM 1086 CD LYS A 71 7.154 -5.171 -5.735 1.00 44.23 C ATOM 1087 CE LYS A 71 7.708 -6.547 -6.095 1.00 11.33 C ATOM 1088 NZ LYS A 71 9.195 -6.549 -6.168 1.00 10.11 N ATOM 0 H LYS A 71 6.156 -3.346 -2.469 1.00 43.40 H new ATOM 0 HA LYS A 71 6.290 -5.876 -1.191 1.00 42.55 H new ATOM 0 HB2 LYS A 71 7.026 -6.677 -3.400 1.00 23.02 H new ATOM 0 HB3 LYS A 71 5.644 -5.608 -3.537 1.00 23.02 H new ATOM 0 HG2 LYS A 71 7.219 -3.730 -4.135 1.00 43.33 H new ATOM 0 HG3 LYS A 71 8.542 -4.880 -4.113 1.00 43.33 H new ATOM 0 HD2 LYS A 71 6.074 -5.167 -5.882 1.00 44.23 H new ATOM 0 HD3 LYS A 71 7.571 -4.425 -6.412 1.00 44.23 H new ATOM 0 HE2 LYS A 71 7.381 -7.275 -5.353 1.00 11.33 H new ATOM 0 HE3 LYS A 71 7.298 -6.863 -7.054 1.00 11.33 H new ATOM 0 HZ1 LYS A 71 9.521 -7.448 -6.577 1.00 10.11 H new ATOM 0 HZ2 LYS A 71 9.514 -5.760 -6.766 1.00 10.11 H new ATOM 0 HZ3 LYS A 71 9.590 -6.440 -5.212 1.00 10.11 H new ATOM 1102 N ALA A 72 9.118 -4.273 -1.469 1.00 42.13 N ATOM 1103 CA ALA A 72 10.524 -4.275 -1.041 1.00 2.12 C ATOM 1104 C ALA A 72 10.650 -4.159 0.486 1.00 50.34 C ATOM 1105 O ALA A 72 11.736 -4.330 1.048 1.00 51.24 O ATOM 1106 CB ALA A 72 11.288 -3.143 -1.720 1.00 33.05 C ATOM 0 H ALA A 72 8.786 -3.373 -1.815 1.00 42.13 H new ATOM 0 HA ALA A 72 10.959 -5.228 -1.341 1.00 2.12 H new ATOM 0 HB1 ALA A 72 12.328 -3.158 -1.393 1.00 33.05 H new ATOM 0 HB2 ALA A 72 11.246 -3.273 -2.801 1.00 33.05 H new ATOM 0 HB3 ALA A 72 10.837 -2.188 -1.452 1.00 33.05 H new ATOM 1112 N ARG A 73 9.534 -3.863 1.152 1.00 43.13 N ATOM 1113 CA ARG A 73 9.502 -3.723 2.611 1.00 3.52 C ATOM 1114 C ARG A 73 8.495 -4.692 3.254 1.00 40.23 C ATOM 1115 O ARG A 73 7.671 -4.292 4.079 1.00 30.13 O ATOM 1116 CB ARG A 73 9.175 -2.267 2.994 1.00 51.13 C ATOM 1117 CG ARG A 73 10.308 -1.289 2.694 1.00 62.40 C ATOM 1118 CD ARG A 73 11.538 -1.595 3.545 1.00 40.33 C ATOM 1119 NE ARG A 73 12.689 -0.769 3.192 1.00 22.34 N ATOM 1120 CZ ARG A 73 13.865 -0.881 3.748 1.00 33.42 C ATOM 1121 NH1 ARG A 73 14.053 -1.700 4.738 1.00 41.13 N ATOM 1122 NH2 ARG A 73 14.844 -0.149 3.334 1.00 63.15 N ATOM 0 H ARG A 73 8.631 -3.714 0.701 1.00 43.13 H new ATOM 0 HA ARG A 73 10.489 -3.980 2.995 1.00 3.52 H new ATOM 0 HB2 ARG A 73 8.281 -1.951 2.457 1.00 51.13 H new ATOM 0 HB3 ARG A 73 8.940 -2.223 4.058 1.00 51.13 H new ATOM 0 HG2 ARG A 73 10.570 -1.344 1.637 1.00 62.40 H new ATOM 0 HG3 ARG A 73 9.973 -0.270 2.886 1.00 62.40 H new ATOM 0 HD2 ARG A 73 11.295 -1.441 4.596 1.00 40.33 H new ATOM 0 HD3 ARG A 73 11.802 -2.646 3.430 1.00 40.33 H new ATOM 0 HE ARG A 73 12.567 -0.062 2.467 1.00 22.34 H new ATOM 0 HH11 ARG A 73 13.278 -2.263 5.088 1.00 41.13 H new ATOM 0 HH12 ARG A 73 14.976 -1.780 5.165 1.00 41.13 H new ATOM 0 HH21 ARG A 73 14.698 0.515 2.574 1.00 63.15 H new ATOM 0 HH22 ARG A 73 15.764 -0.235 3.767 1.00 63.15 H new ATOM 1136 N THR A 74 8.594 -5.980 2.898 1.00 11.22 N ATOM 1137 CA THR A 74 7.742 -7.025 3.500 1.00 43.53 C ATOM 1138 C THR A 74 7.934 -7.093 5.021 1.00 72.52 C ATOM 1139 O THR A 74 7.127 -7.681 5.743 1.00 71.21 O ATOM 1140 CB THR A 74 8.031 -8.421 2.899 1.00 33.01 C ATOM 1141 OG1 THR A 74 9.412 -8.767 3.098 1.00 4.41 O ATOM 1142 CG2 THR A 74 7.701 -8.455 1.410 1.00 35.41 C ATOM 0 H THR A 74 9.252 -6.326 2.199 1.00 11.22 H new ATOM 0 HA THR A 74 6.712 -6.748 3.274 1.00 43.53 H new ATOM 0 HB THR A 74 7.398 -9.147 3.409 1.00 33.01 H new ATOM 0 HG1 THR A 74 9.586 -9.653 2.716 1.00 4.41 H new ATOM 0 HG21 THR A 74 7.913 -9.448 1.013 1.00 35.41 H new ATOM 0 HG22 THR A 74 6.645 -8.225 1.266 1.00 35.41 H new ATOM 0 HG23 THR A 74 8.308 -7.717 0.886 1.00 35.41 H new ATOM 1150 N ASP A 75 9.034 -6.512 5.489 1.00 43.25 N ATOM 1151 CA ASP A 75 9.272 -6.313 6.917 1.00 43.33 C ATOM 1152 C ASP A 75 8.095 -5.571 7.574 1.00 52.35 C ATOM 1153 O ASP A 75 7.597 -5.978 8.626 1.00 32.24 O ATOM 1154 CB ASP A 75 10.578 -5.527 7.107 1.00 22.53 C ATOM 1155 CG ASP A 75 10.836 -5.146 8.554 1.00 12.12 C ATOM 1156 OD1 ASP A 75 10.910 -6.053 9.406 1.00 64.44 O ATOM 1157 OD2 ASP A 75 10.979 -3.939 8.841 1.00 34.22 O ATOM 0 H ASP A 75 9.785 -6.166 4.892 1.00 43.25 H new ATOM 0 HA ASP A 75 9.360 -7.286 7.401 1.00 43.33 H new ATOM 0 HB2 ASP A 75 11.412 -6.125 6.740 1.00 22.53 H new ATOM 0 HB3 ASP A 75 10.543 -4.623 6.500 1.00 22.53 H new ATOM 1162 N LEU A 76 7.638 -4.506 6.920 1.00 63.03 N ATOM 1163 CA LEU A 76 6.563 -3.658 7.447 1.00 44.00 C ATOM 1164 C LEU A 76 5.175 -4.095 6.945 1.00 73.50 C ATOM 1165 O LEU A 76 4.201 -4.082 7.702 1.00 53.53 O ATOM 1166 CB LEU A 76 6.813 -2.198 7.041 1.00 13.31 C ATOM 1167 CG LEU A 76 8.114 -1.574 7.577 1.00 52.11 C ATOM 1168 CD1 LEU A 76 8.308 -0.165 7.023 1.00 71.24 C ATOM 1169 CD2 LEU A 76 8.113 -1.559 9.104 1.00 13.23 C ATOM 0 H LEU A 76 7.998 -4.205 6.014 1.00 63.03 H new ATOM 0 HA LEU A 76 6.570 -3.759 8.532 1.00 44.00 H new ATOM 0 HB2 LEU A 76 6.824 -2.139 5.953 1.00 13.31 H new ATOM 0 HB3 LEU A 76 5.973 -1.595 7.385 1.00 13.31 H new ATOM 0 HG LEU A 76 8.950 -2.188 7.241 1.00 52.11 H new ATOM 0 HD11 LEU A 76 9.234 0.256 7.415 1.00 71.24 H new ATOM 0 HD12 LEU A 76 8.361 -0.206 5.935 1.00 71.24 H new ATOM 0 HD13 LEU A 76 7.468 0.462 7.322 1.00 71.24 H new ATOM 0 HD21 LEU A 76 9.041 -1.114 9.464 1.00 13.23 H new ATOM 0 HD22 LEU A 76 7.267 -0.972 9.462 1.00 13.23 H new ATOM 0 HD23 LEU A 76 8.031 -2.580 9.478 1.00 13.23 H new ATOM 1181 N PHE A 77 5.081 -4.470 5.667 1.00 61.24 N ATOM 1182 CA PHE A 77 3.779 -4.753 5.043 1.00 21.43 C ATOM 1183 C PHE A 77 3.725 -6.168 4.438 1.00 12.23 C ATOM 1184 O PHE A 77 4.719 -6.675 3.923 1.00 11.04 O ATOM 1185 CB PHE A 77 3.501 -3.722 3.938 1.00 32.32 C ATOM 1186 CG PHE A 77 3.727 -2.292 4.369 1.00 32.25 C ATOM 1187 CD1 PHE A 77 3.004 -1.744 5.418 1.00 70.41 C ATOM 1188 CD2 PHE A 77 4.673 -1.499 3.728 1.00 51.32 C ATOM 1189 CE1 PHE A 77 3.220 -0.438 5.820 1.00 64.53 C ATOM 1190 CE2 PHE A 77 4.890 -0.195 4.123 1.00 11.10 C ATOM 1191 CZ PHE A 77 4.165 0.336 5.172 1.00 25.22 C ATOM 0 H PHE A 77 5.882 -4.585 5.046 1.00 61.24 H new ATOM 0 HA PHE A 77 3.020 -4.690 5.823 1.00 21.43 H new ATOM 0 HB2 PHE A 77 4.140 -3.939 3.082 1.00 32.32 H new ATOM 0 HB3 PHE A 77 2.470 -3.832 3.602 1.00 32.32 H new ATOM 0 HD1 PHE A 77 2.264 -2.344 5.927 1.00 70.41 H new ATOM 0 HD2 PHE A 77 5.246 -1.910 2.910 1.00 51.32 H new ATOM 0 HE1 PHE A 77 2.651 -0.023 6.639 1.00 64.53 H new ATOM 0 HE2 PHE A 77 5.625 0.409 3.613 1.00 11.10 H new ATOM 0 HZ PHE A 77 4.336 1.355 5.486 1.00 25.22 H new ATOM 1201 N VAL A 78 2.554 -6.801 4.504 1.00 53.21 N ATOM 1202 CA VAL A 78 2.333 -8.098 3.853 1.00 61.25 C ATOM 1203 C VAL A 78 1.652 -7.898 2.489 1.00 32.25 C ATOM 1204 O VAL A 78 0.565 -7.323 2.408 1.00 72.12 O ATOM 1205 CB VAL A 78 1.462 -9.034 4.728 1.00 33.20 C ATOM 1206 CG1 VAL A 78 1.284 -10.398 4.057 1.00 42.14 C ATOM 1207 CG2 VAL A 78 2.068 -9.190 6.126 1.00 21.22 C ATOM 0 H VAL A 78 1.741 -6.438 5.002 1.00 53.21 H new ATOM 0 HA VAL A 78 3.308 -8.565 3.715 1.00 61.25 H new ATOM 0 HB VAL A 78 0.477 -8.579 4.834 1.00 33.20 H new ATOM 0 HG11 VAL A 78 0.669 -11.038 4.690 1.00 42.14 H new ATOM 0 HG12 VAL A 78 0.796 -10.267 3.091 1.00 42.14 H new ATOM 0 HG13 VAL A 78 2.260 -10.862 3.911 1.00 42.14 H new ATOM 0 HG21 VAL A 78 1.440 -9.851 6.723 1.00 21.22 H new ATOM 0 HG22 VAL A 78 3.068 -9.616 6.044 1.00 21.22 H new ATOM 0 HG23 VAL A 78 2.128 -8.214 6.608 1.00 21.22 H new ATOM 1217 N THR A 79 2.291 -8.375 1.421 1.00 23.21 N ATOM 1218 CA THR A 79 1.809 -8.121 0.055 1.00 43.11 C ATOM 1219 C THR A 79 1.396 -9.410 -0.675 1.00 74.14 C ATOM 1220 O THR A 79 2.133 -10.396 -0.682 1.00 25.10 O ATOM 1221 CB THR A 79 2.894 -7.416 -0.802 1.00 11.34 C ATOM 1222 OG1 THR A 79 3.958 -8.327 -1.116 1.00 71.43 O ATOM 1223 CG2 THR A 79 3.479 -6.213 -0.070 1.00 33.55 C ATOM 0 H THR A 79 3.140 -8.938 1.470 1.00 23.21 H new ATOM 0 HA THR A 79 0.935 -7.479 0.168 1.00 43.11 H new ATOM 0 HB THR A 79 2.414 -7.078 -1.720 1.00 11.34 H new ATOM 0 HG1 THR A 79 4.633 -7.867 -1.658 1.00 71.43 H new ATOM 0 HG21 THR A 79 4.236 -5.740 -0.695 1.00 33.55 H new ATOM 0 HG22 THR A 79 2.686 -5.497 0.145 1.00 33.55 H new ATOM 0 HG23 THR A 79 3.934 -6.542 0.865 1.00 33.55 H new ATOM 1231 N GLU A 80 0.211 -9.396 -1.287 1.00 24.22 N ATOM 1232 CA GLU A 80 -0.210 -10.473 -2.195 1.00 35.03 C ATOM 1233 C GLU A 80 -0.796 -9.908 -3.494 1.00 61.33 C ATOM 1234 O GLU A 80 -1.667 -9.036 -3.471 1.00 61.24 O ATOM 1235 CB GLU A 80 -1.255 -11.403 -1.555 1.00 31.54 C ATOM 1236 CG GLU A 80 -0.727 -12.306 -0.447 1.00 51.20 C ATOM 1237 CD GLU A 80 -1.733 -13.385 -0.057 1.00 32.23 C ATOM 1238 OE1 GLU A 80 -2.930 -13.063 0.126 1.00 3.33 O ATOM 1239 OE2 GLU A 80 -1.341 -14.569 0.034 1.00 72.50 O ATOM 0 H GLU A 80 -0.477 -8.652 -1.173 1.00 24.22 H new ATOM 0 HA GLU A 80 0.690 -11.049 -2.411 1.00 35.03 H new ATOM 0 HB2 GLU A 80 -2.062 -10.792 -1.151 1.00 31.54 H new ATOM 0 HB3 GLU A 80 -1.688 -12.028 -2.336 1.00 31.54 H new ATOM 0 HG2 GLU A 80 0.200 -12.777 -0.775 1.00 51.20 H new ATOM 0 HG3 GLU A 80 -0.486 -11.702 0.428 1.00 51.20 H new ATOM 1246 N GLU A 81 -0.324 -10.414 -4.628 1.00 15.11 N ATOM 1247 CA GLU A 81 -0.912 -10.076 -5.924 1.00 64.43 C ATOM 1248 C GLU A 81 -2.061 -11.047 -6.231 1.00 42.34 C ATOM 1249 O GLU A 81 -1.839 -12.236 -6.454 1.00 4.51 O ATOM 1250 CB GLU A 81 0.153 -10.134 -7.029 1.00 53.23 C ATOM 1251 CG GLU A 81 1.378 -9.268 -6.748 1.00 3.24 C ATOM 1252 CD GLU A 81 2.395 -9.288 -7.878 1.00 5.24 C ATOM 1253 OE1 GLU A 81 2.702 -10.384 -8.391 1.00 32.22 O ATOM 1254 OE2 GLU A 81 2.897 -8.209 -8.260 1.00 53.21 O ATOM 0 H GLU A 81 0.464 -11.060 -4.679 1.00 15.11 H new ATOM 0 HA GLU A 81 -1.303 -9.059 -5.886 1.00 64.43 H new ATOM 0 HB2 GLU A 81 0.472 -11.168 -7.159 1.00 53.23 H new ATOM 0 HB3 GLU A 81 -0.296 -9.818 -7.971 1.00 53.23 H new ATOM 0 HG2 GLU A 81 1.057 -8.241 -6.574 1.00 3.24 H new ATOM 0 HG3 GLU A 81 1.856 -9.612 -5.831 1.00 3.24 H new ATOM 1261 N ARG A 82 -3.289 -10.537 -6.241 1.00 43.04 N ATOM 1262 CA ARG A 82 -4.485 -11.388 -6.309 1.00 2.24 C ATOM 1263 C ARG A 82 -5.277 -11.164 -7.608 1.00 31.30 C ATOM 1264 O ARG A 82 -5.338 -10.052 -8.137 1.00 24.03 O ATOM 1265 CB ARG A 82 -5.388 -11.095 -5.099 1.00 32.35 C ATOM 1266 CG ARG A 82 -4.694 -11.252 -3.744 1.00 22.32 C ATOM 1267 CD ARG A 82 -4.350 -12.705 -3.432 1.00 55.13 C ATOM 1268 NE ARG A 82 -5.544 -13.544 -3.365 1.00 40.12 N ATOM 1269 CZ ARG A 82 -5.992 -14.103 -2.274 1.00 12.43 C ATOM 1270 NH1 ARG A 82 -5.364 -13.964 -1.146 1.00 22.21 N ATOM 1271 NH2 ARG A 82 -7.070 -14.813 -2.313 1.00 50.03 N ATOM 0 H ARG A 82 -3.488 -9.537 -6.203 1.00 43.04 H new ATOM 0 HA ARG A 82 -4.158 -12.428 -6.296 1.00 2.24 H new ATOM 0 HB2 ARG A 82 -5.770 -10.078 -5.183 1.00 32.35 H new ATOM 0 HB3 ARG A 82 -6.249 -11.762 -5.133 1.00 32.35 H new ATOM 0 HG2 ARG A 82 -3.782 -10.655 -3.735 1.00 22.32 H new ATOM 0 HG3 ARG A 82 -5.341 -10.858 -2.960 1.00 22.32 H new ATOM 0 HD2 ARG A 82 -3.677 -13.091 -4.197 1.00 55.13 H new ATOM 0 HD3 ARG A 82 -3.816 -12.756 -2.483 1.00 55.13 H new ATOM 0 HE ARG A 82 -6.062 -13.704 -4.229 1.00 40.12 H new ATOM 0 HH11 ARG A 82 -4.508 -13.412 -1.104 1.00 22.21 H new ATOM 0 HH12 ARG A 82 -5.727 -14.407 -0.302 1.00 22.21 H new ATOM 0 HH21 ARG A 82 -7.568 -14.935 -3.194 1.00 50.03 H new ATOM 0 HH22 ARG A 82 -7.423 -15.251 -1.462 1.00 50.03 H new ATOM 1285 N GLN A 83 -5.884 -12.236 -8.115 1.00 73.22 N ATOM 1286 CA GLN A 83 -6.693 -12.171 -9.335 1.00 72.03 C ATOM 1287 C GLN A 83 -8.100 -11.621 -9.031 1.00 55.31 C ATOM 1288 O GLN A 83 -8.856 -12.213 -8.259 1.00 55.12 O ATOM 1289 CB GLN A 83 -6.783 -13.569 -9.965 1.00 41.45 C ATOM 1290 CG GLN A 83 -7.422 -13.595 -11.348 1.00 40.44 C ATOM 1291 CD GLN A 83 -7.476 -14.996 -11.941 1.00 3.11 C ATOM 1292 OE1 GLN A 83 -6.637 -15.843 -11.647 1.00 33.21 O ATOM 1293 NE2 GLN A 83 -8.460 -15.253 -12.778 1.00 33.42 N ATOM 0 H GLN A 83 -5.831 -13.166 -7.698 1.00 73.22 H new ATOM 0 HA GLN A 83 -6.215 -11.491 -10.040 1.00 72.03 H new ATOM 0 HB2 GLN A 83 -5.779 -13.989 -10.034 1.00 41.45 H new ATOM 0 HB3 GLN A 83 -7.355 -14.217 -9.301 1.00 41.45 H new ATOM 0 HG2 GLN A 83 -8.433 -13.192 -11.285 1.00 40.44 H new ATOM 0 HG3 GLN A 83 -6.860 -12.943 -12.016 1.00 40.44 H new ATOM 0 HE21 GLN A 83 -9.141 -14.528 -13.002 1.00 33.42 H new ATOM 0 HE22 GLN A 83 -8.541 -16.177 -13.202 1.00 33.42 H new ATOM 1302 N VAL A 84 -8.446 -10.488 -9.639 1.00 33.14 N ATOM 1303 CA VAL A 84 -9.704 -9.789 -9.332 1.00 64.23 C ATOM 1304 C VAL A 84 -10.858 -10.214 -10.263 1.00 74.23 C ATOM 1305 O VAL A 84 -10.757 -10.086 -11.484 1.00 14.14 O ATOM 1306 CB VAL A 84 -9.512 -8.254 -9.434 1.00 71.23 C ATOM 1307 CG1 VAL A 84 -10.802 -7.509 -9.082 1.00 45.11 C ATOM 1308 CG2 VAL A 84 -8.359 -7.795 -8.542 1.00 14.31 C ATOM 0 H VAL A 84 -7.875 -10.029 -10.349 1.00 33.14 H new ATOM 0 HA VAL A 84 -9.972 -10.067 -8.313 1.00 64.23 H new ATOM 0 HB VAL A 84 -9.263 -8.015 -10.468 1.00 71.23 H new ATOM 0 HG11 VAL A 84 -10.635 -6.435 -9.163 1.00 45.11 H new ATOM 0 HG12 VAL A 84 -11.593 -7.806 -9.770 1.00 45.11 H new ATOM 0 HG13 VAL A 84 -11.097 -7.755 -8.062 1.00 45.11 H new ATOM 0 HG21 VAL A 84 -8.240 -6.715 -8.628 1.00 14.31 H new ATOM 0 HG22 VAL A 84 -8.575 -8.055 -7.506 1.00 14.31 H new ATOM 0 HG23 VAL A 84 -7.438 -8.287 -8.855 1.00 14.31 H new ATOM 1318 N PRO A 85 -11.978 -10.717 -9.694 1.00 21.43 N ATOM 1319 CA PRO A 85 -13.180 -11.078 -10.476 1.00 3.44 C ATOM 1320 C PRO A 85 -13.729 -9.897 -11.297 1.00 64.42 C ATOM 1321 O PRO A 85 -13.897 -8.793 -10.776 1.00 64.24 O ATOM 1322 CB PRO A 85 -14.193 -11.502 -9.399 1.00 43.21 C ATOM 1323 CG PRO A 85 -13.361 -11.890 -8.222 1.00 31.13 C ATOM 1324 CD PRO A 85 -12.162 -10.981 -8.254 1.00 1.13 C ATOM 0 HA PRO A 85 -12.966 -11.855 -11.210 1.00 3.44 H new ATOM 0 HB2 PRO A 85 -14.872 -10.686 -9.151 1.00 43.21 H new ATOM 0 HB3 PRO A 85 -14.808 -12.335 -9.740 1.00 43.21 H new ATOM 0 HG2 PRO A 85 -13.918 -11.771 -7.293 1.00 31.13 H new ATOM 0 HG3 PRO A 85 -13.061 -12.936 -8.282 1.00 31.13 H new ATOM 0 HD2 PRO A 85 -12.338 -10.062 -7.695 1.00 1.13 H new ATOM 0 HD3 PRO A 85 -11.284 -11.457 -7.816 1.00 1.13 H new ATOM 1332 N GLY A 86 -14.008 -10.129 -12.578 1.00 3.43 N ATOM 1333 CA GLY A 86 -14.455 -9.054 -13.459 1.00 2.24 C ATOM 1334 C GLY A 86 -13.298 -8.358 -14.169 1.00 22.43 C ATOM 1335 O GLY A 86 -13.469 -7.787 -15.250 1.00 55.24 O ATOM 0 H GLY A 86 -13.933 -11.043 -13.025 1.00 3.43 H new ATOM 0 HA2 GLY A 86 -15.141 -9.460 -14.202 1.00 2.24 H new ATOM 0 HA3 GLY A 86 -15.013 -8.321 -12.877 1.00 2.24 H new ATOM 1339 N SER A 87 -12.117 -8.408 -13.560 1.00 33.05 N ATOM 1340 CA SER A 87 -10.911 -7.794 -14.130 1.00 51.41 C ATOM 1341 C SER A 87 -10.011 -8.853 -14.780 1.00 70.44 C ATOM 1342 O SER A 87 -9.816 -9.938 -14.233 1.00 24.23 O ATOM 1343 CB SER A 87 -10.124 -7.048 -13.041 1.00 45.21 C ATOM 1344 OG SER A 87 -10.888 -5.984 -12.482 1.00 72.54 O ATOM 0 H SER A 87 -11.964 -8.870 -12.664 1.00 33.05 H new ATOM 0 HA SER A 87 -11.227 -7.085 -14.896 1.00 51.41 H new ATOM 0 HB2 SER A 87 -9.839 -7.746 -12.254 1.00 45.21 H new ATOM 0 HB3 SER A 87 -9.201 -6.651 -13.464 1.00 45.21 H new ATOM 0 HG SER A 87 -10.361 -5.530 -11.792 1.00 72.54 H new ATOM 1350 N THR A 88 -9.458 -8.533 -15.946 1.00 40.20 N ATOM 1351 CA THR A 88 -8.561 -9.456 -16.649 1.00 32.31 C ATOM 1352 C THR A 88 -7.153 -9.427 -16.042 1.00 14.20 C ATOM 1353 O THR A 88 -6.454 -10.444 -16.026 1.00 40.14 O ATOM 1354 CB THR A 88 -8.465 -9.145 -18.165 1.00 54.45 C ATOM 1355 OG1 THR A 88 -7.600 -10.100 -18.806 1.00 21.45 O ATOM 1356 CG2 THR A 88 -7.948 -7.732 -18.422 1.00 21.14 C ATOM 0 H THR A 88 -9.612 -7.646 -16.426 1.00 40.20 H new ATOM 0 HA THR A 88 -8.992 -10.450 -16.529 1.00 32.31 H new ATOM 0 HB THR A 88 -9.470 -9.215 -18.582 1.00 54.45 H new ATOM 0 HG1 THR A 88 -7.544 -9.900 -19.764 1.00 21.45 H new ATOM 0 HG21 THR A 88 -7.895 -7.554 -19.496 1.00 21.14 H new ATOM 0 HG22 THR A 88 -8.624 -7.009 -17.967 1.00 21.14 H new ATOM 0 HG23 THR A 88 -6.954 -7.623 -17.987 1.00 21.14 H new ATOM 1364 N GLN A 89 -6.746 -8.266 -15.528 1.00 73.24 N ATOM 1365 CA GLN A 89 -5.447 -8.130 -14.857 1.00 40.45 C ATOM 1366 C GLN A 89 -5.582 -8.314 -13.336 1.00 30.35 C ATOM 1367 O GLN A 89 -6.647 -8.089 -12.757 1.00 63.10 O ATOM 1368 CB GLN A 89 -4.805 -6.766 -15.164 1.00 61.13 C ATOM 1369 CG GLN A 89 -5.604 -5.567 -14.664 1.00 50.23 C ATOM 1370 CD GLN A 89 -4.851 -4.255 -14.803 1.00 32.32 C ATOM 1371 OE1 GLN A 89 -4.130 -3.840 -13.899 1.00 71.23 O ATOM 1372 NE2 GLN A 89 -5.006 -3.595 -15.934 1.00 72.00 N ATOM 0 H GLN A 89 -7.294 -7.406 -15.562 1.00 73.24 H new ATOM 0 HA GLN A 89 -4.800 -8.916 -15.245 1.00 40.45 H new ATOM 0 HB2 GLN A 89 -3.811 -6.737 -14.717 1.00 61.13 H new ATOM 0 HB3 GLN A 89 -4.672 -6.675 -16.242 1.00 61.13 H new ATOM 0 HG2 GLN A 89 -6.540 -5.503 -15.219 1.00 50.23 H new ATOM 0 HG3 GLN A 89 -5.864 -5.721 -13.617 1.00 50.23 H new ATOM 0 HE21 GLN A 89 -5.613 -3.969 -16.664 1.00 72.00 H new ATOM 0 HE22 GLN A 89 -4.519 -2.711 -16.079 1.00 72.00 H new ATOM 1381 N LYS A 90 -4.493 -8.725 -12.698 1.00 13.52 N ATOM 1382 CA LYS A 90 -4.478 -8.948 -11.249 1.00 5.32 C ATOM 1383 C LYS A 90 -4.043 -7.678 -10.495 1.00 32.21 C ATOM 1384 O LYS A 90 -3.326 -6.835 -11.038 1.00 41.33 O ATOM 1385 CB LYS A 90 -3.550 -10.132 -10.931 1.00 12.53 C ATOM 1386 CG LYS A 90 -2.087 -9.893 -11.298 1.00 23.32 C ATOM 1387 CD LYS A 90 -1.261 -11.179 -11.237 1.00 20.41 C ATOM 1388 CE LYS A 90 -1.378 -11.893 -9.893 1.00 52.22 C ATOM 1389 NZ LYS A 90 -0.633 -13.181 -9.892 1.00 23.24 N ATOM 0 H LYS A 90 -3.603 -8.913 -13.159 1.00 13.52 H new ATOM 0 HA LYS A 90 -5.487 -9.186 -10.913 1.00 5.32 H new ATOM 0 HB2 LYS A 90 -3.615 -10.355 -9.866 1.00 12.53 H new ATOM 0 HB3 LYS A 90 -3.908 -11.013 -11.463 1.00 12.53 H new ATOM 0 HG2 LYS A 90 -2.030 -9.473 -12.302 1.00 23.32 H new ATOM 0 HG3 LYS A 90 -1.659 -9.155 -10.619 1.00 23.32 H new ATOM 0 HD2 LYS A 90 -1.586 -11.852 -12.030 1.00 20.41 H new ATOM 0 HD3 LYS A 90 -0.214 -10.943 -11.428 1.00 20.41 H new ATOM 0 HE2 LYS A 90 -0.993 -11.248 -9.103 1.00 52.22 H new ATOM 0 HE3 LYS A 90 -2.428 -12.079 -9.669 1.00 52.22 H new ATOM 0 HZ1 LYS A 90 -0.734 -13.640 -8.964 1.00 23.24 H new ATOM 0 HZ2 LYS A 90 -1.017 -13.805 -10.630 1.00 23.24 H new ATOM 0 HZ3 LYS A 90 0.373 -13.000 -10.081 1.00 23.24 H new ATOM 1403 N ALA A 91 -4.491 -7.537 -9.248 1.00 5.20 N ATOM 1404 CA ALA A 91 -4.187 -6.346 -8.438 1.00 14.35 C ATOM 1405 C ALA A 91 -3.352 -6.706 -7.200 1.00 54.32 C ATOM 1406 O ALA A 91 -3.266 -7.870 -6.815 1.00 61.53 O ATOM 1407 CB ALA A 91 -5.479 -5.649 -8.018 1.00 41.11 C ATOM 0 H ALA A 91 -5.067 -8.231 -8.771 1.00 5.20 H new ATOM 0 HA ALA A 91 -3.597 -5.666 -9.053 1.00 14.35 H new ATOM 0 HB1 ALA A 91 -5.240 -4.770 -7.420 1.00 41.11 H new ATOM 0 HB2 ALA A 91 -6.033 -5.344 -8.906 1.00 41.11 H new ATOM 0 HB3 ALA A 91 -6.087 -6.335 -7.428 1.00 41.11 H new ATOM 1413 N LEU A 92 -2.743 -5.701 -6.578 1.00 42.45 N ATOM 1414 CA LEU A 92 -1.905 -5.916 -5.391 1.00 25.14 C ATOM 1415 C LEU A 92 -2.639 -5.512 -4.100 1.00 5.52 C ATOM 1416 O LEU A 92 -2.973 -4.345 -3.900 1.00 3.24 O ATOM 1417 CB LEU A 92 -0.592 -5.126 -5.527 1.00 0.03 C ATOM 1418 CG LEU A 92 0.368 -5.231 -4.326 1.00 14.33 C ATOM 1419 CD1 LEU A 92 0.939 -6.641 -4.205 1.00 4.11 C ATOM 1420 CD2 LEU A 92 1.492 -4.203 -4.444 1.00 23.24 C ATOM 0 H LEU A 92 -2.811 -4.727 -6.873 1.00 42.45 H new ATOM 0 HA LEU A 92 -1.681 -6.981 -5.324 1.00 25.14 H new ATOM 0 HB2 LEU A 92 -0.070 -5.472 -6.419 1.00 0.03 H new ATOM 0 HB3 LEU A 92 -0.834 -4.075 -5.686 1.00 0.03 H new ATOM 0 HG LEU A 92 -0.200 -5.018 -3.420 1.00 14.33 H new ATOM 0 HD11 LEU A 92 1.613 -6.688 -3.350 1.00 4.11 H new ATOM 0 HD12 LEU A 92 0.125 -7.352 -4.065 1.00 4.11 H new ATOM 0 HD13 LEU A 92 1.487 -6.891 -5.113 1.00 4.11 H new ATOM 0 HD21 LEU A 92 2.159 -4.293 -3.587 1.00 23.24 H new ATOM 0 HD22 LEU A 92 2.054 -4.382 -5.361 1.00 23.24 H new ATOM 0 HD23 LEU A 92 1.066 -3.200 -4.469 1.00 23.24 H new ATOM 1432 N TYR A 93 -2.897 -6.491 -3.233 1.00 54.42 N ATOM 1433 CA TYR A 93 -3.532 -6.239 -1.932 1.00 24.03 C ATOM 1434 C TYR A 93 -2.501 -6.242 -0.793 1.00 52.43 C ATOM 1435 O TYR A 93 -1.586 -7.070 -0.763 1.00 32.31 O ATOM 1436 CB TYR A 93 -4.638 -7.268 -1.663 1.00 11.42 C ATOM 1437 CG TYR A 93 -5.864 -7.078 -2.542 1.00 33.11 C ATOM 1438 CD1 TYR A 93 -5.890 -7.539 -3.855 1.00 41.50 C ATOM 1439 CD2 TYR A 93 -6.994 -6.427 -2.055 1.00 51.53 C ATOM 1440 CE1 TYR A 93 -7.003 -7.355 -4.654 1.00 23.02 C ATOM 1441 CE2 TYR A 93 -8.110 -6.242 -2.848 1.00 71.45 C ATOM 1442 CZ TYR A 93 -8.109 -6.708 -4.145 1.00 74.14 C ATOM 1443 OH TYR A 93 -9.222 -6.524 -4.938 1.00 14.41 O ATOM 0 H TYR A 93 -2.676 -7.472 -3.406 1.00 54.42 H new ATOM 0 HA TYR A 93 -3.982 -5.247 -1.969 1.00 24.03 H new ATOM 0 HB2 TYR A 93 -4.238 -8.270 -1.821 1.00 11.42 H new ATOM 0 HB3 TYR A 93 -4.937 -7.205 -0.617 1.00 11.42 H new ATOM 0 HD1 TYR A 93 -5.027 -8.049 -4.256 1.00 41.50 H new ATOM 0 HD2 TYR A 93 -6.998 -6.060 -1.039 1.00 51.53 H new ATOM 0 HE1 TYR A 93 -7.006 -7.716 -5.672 1.00 23.02 H new ATOM 0 HE2 TYR A 93 -8.978 -5.735 -2.454 1.00 71.45 H new ATOM 0 HH TYR A 93 -9.913 -6.052 -4.428 1.00 14.41 H new ATOM 1453 N LEU A 94 -2.660 -5.306 0.140 1.00 1.01 N ATOM 1454 CA LEU A 94 -1.690 -5.095 1.220 1.00 53.03 C ATOM 1455 C LEU A 94 -2.364 -5.184 2.602 1.00 15.03 C ATOM 1456 O LEU A 94 -3.485 -4.713 2.780 1.00 75.54 O ATOM 1457 CB LEU A 94 -1.061 -3.699 1.066 1.00 62.43 C ATOM 1458 CG LEU A 94 -0.553 -3.344 -0.345 1.00 3.21 C ATOM 1459 CD1 LEU A 94 0.006 -1.926 -0.377 1.00 20.43 C ATOM 1460 CD2 LEU A 94 0.490 -4.341 -0.825 1.00 21.14 C ATOM 0 H LEU A 94 -3.460 -4.674 0.172 1.00 1.01 H new ATOM 0 HA LEU A 94 -0.929 -5.873 1.153 1.00 53.03 H new ATOM 0 HB2 LEU A 94 -1.799 -2.954 1.364 1.00 62.43 H new ATOM 0 HB3 LEU A 94 -0.227 -3.618 1.763 1.00 62.43 H new ATOM 0 HG LEU A 94 -1.403 -3.396 -1.026 1.00 3.21 H new ATOM 0 HD11 LEU A 94 0.359 -1.697 -1.382 1.00 20.43 H new ATOM 0 HD12 LEU A 94 -0.776 -1.220 -0.097 1.00 20.43 H new ATOM 0 HD13 LEU A 94 0.835 -1.846 0.326 1.00 20.43 H new ATOM 0 HD21 LEU A 94 0.828 -4.062 -1.823 1.00 21.14 H new ATOM 0 HD22 LEU A 94 1.338 -4.338 -0.141 1.00 21.14 H new ATOM 0 HD23 LEU A 94 0.052 -5.339 -0.856 1.00 21.14 H new ATOM 1472 N ARG A 95 -1.685 -5.778 3.582 1.00 52.44 N ATOM 1473 CA ARG A 95 -2.179 -5.750 4.968 1.00 44.35 C ATOM 1474 C ARG A 95 -1.025 -5.537 5.961 1.00 50.02 C ATOM 1475 O ARG A 95 0.152 -5.641 5.602 1.00 2.23 O ATOM 1476 CB ARG A 95 -2.961 -7.029 5.323 1.00 54.41 C ATOM 1477 CG ARG A 95 -2.106 -8.283 5.462 1.00 34.24 C ATOM 1478 CD ARG A 95 -2.924 -9.465 5.979 1.00 70.42 C ATOM 1479 NE ARG A 95 -3.595 -9.159 7.244 1.00 1.20 N ATOM 1480 CZ ARG A 95 -4.267 -10.028 7.952 1.00 10.21 C ATOM 1481 NH1 ARG A 95 -4.360 -11.264 7.574 1.00 73.32 N ATOM 1482 NH2 ARG A 95 -4.850 -9.654 9.044 1.00 51.21 N ATOM 0 H ARG A 95 -0.805 -6.278 3.452 1.00 52.44 H new ATOM 0 HA ARG A 95 -2.866 -4.907 5.046 1.00 44.35 H new ATOM 0 HB2 ARG A 95 -3.494 -6.864 6.259 1.00 54.41 H new ATOM 0 HB3 ARG A 95 -3.714 -7.203 4.554 1.00 54.41 H new ATOM 0 HG2 ARG A 95 -1.670 -8.536 4.496 1.00 34.24 H new ATOM 0 HG3 ARG A 95 -1.278 -8.086 6.143 1.00 34.24 H new ATOM 0 HD2 ARG A 95 -3.668 -9.745 5.233 1.00 70.42 H new ATOM 0 HD3 ARG A 95 -2.270 -10.326 6.115 1.00 70.42 H new ATOM 0 HE ARG A 95 -3.534 -8.204 7.596 1.00 1.20 H new ATOM 0 HH11 ARG A 95 -3.905 -11.570 6.714 1.00 73.32 H new ATOM 0 HH12 ARG A 95 -4.888 -11.931 8.137 1.00 73.32 H new ATOM 0 HH21 ARG A 95 -4.785 -8.683 9.350 1.00 51.21 H new ATOM 0 HH22 ARG A 95 -5.375 -10.330 9.599 1.00 51.21 H new ATOM 1496 N ALA A 96 -1.372 -5.239 7.210 1.00 51.11 N ATOM 1497 CA ALA A 96 -0.377 -4.900 8.235 1.00 63.14 C ATOM 1498 C ALA A 96 0.348 -6.139 8.782 1.00 3.05 C ATOM 1499 O ALA A 96 -0.258 -7.194 8.999 1.00 0.44 O ATOM 1500 CB ALA A 96 -1.042 -4.127 9.372 1.00 21.24 C ATOM 0 H ALA A 96 -2.336 -5.224 7.542 1.00 51.11 H new ATOM 0 HA ALA A 96 0.379 -4.274 7.761 1.00 63.14 H new ATOM 0 HB1 ALA A 96 -0.297 -3.879 10.128 1.00 21.24 H new ATOM 0 HB2 ALA A 96 -1.480 -3.209 8.980 1.00 21.24 H new ATOM 0 HB3 ALA A 96 -1.824 -4.740 9.820 1.00 21.24 H new ATOM 1506 N LYS A 97 1.651 -5.993 9.010 1.00 64.15 N ATOM 1507 CA LYS A 97 2.475 -7.069 9.567 1.00 13.42 C ATOM 1508 C LYS A 97 2.291 -7.192 11.089 1.00 75.00 C ATOM 1509 O LYS A 97 2.419 -6.211 11.822 1.00 2.44 O ATOM 1510 CB LYS A 97 3.957 -6.809 9.252 1.00 50.32 C ATOM 1511 CG LYS A 97 4.918 -7.770 9.951 1.00 35.40 C ATOM 1512 CD LYS A 97 4.923 -9.160 9.318 1.00 74.22 C ATOM 1513 CE LYS A 97 5.751 -9.188 8.039 1.00 63.11 C ATOM 1514 NZ LYS A 97 7.151 -8.744 8.285 1.00 23.24 N ATOM 0 H LYS A 97 2.165 -5.133 8.816 1.00 64.15 H new ATOM 0 HA LYS A 97 2.155 -8.004 9.108 1.00 13.42 H new ATOM 0 HB2 LYS A 97 4.107 -6.881 8.175 1.00 50.32 H new ATOM 0 HB3 LYS A 97 4.206 -5.788 9.541 1.00 50.32 H new ATOM 0 HG2 LYS A 97 5.926 -7.357 9.919 1.00 35.40 H new ATOM 0 HG3 LYS A 97 4.641 -7.854 11.002 1.00 35.40 H new ATOM 0 HD2 LYS A 97 5.324 -9.883 10.028 1.00 74.22 H new ATOM 0 HD3 LYS A 97 3.900 -9.464 9.097 1.00 74.22 H new ATOM 0 HE2 LYS A 97 5.755 -10.198 7.629 1.00 63.11 H new ATOM 0 HE3 LYS A 97 5.290 -8.543 7.291 1.00 63.11 H new ATOM 0 HZ1 LYS A 97 7.733 -8.949 7.448 1.00 23.24 H new ATOM 0 HZ2 LYS A 97 7.163 -7.721 8.473 1.00 23.24 H new ATOM 0 HZ3 LYS A 97 7.537 -9.251 9.107 1.00 23.24 H new