USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=16 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= 0.234 X(o=0.23,f=0) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0964 X(o=-0.096,f=-0.074) USER MOD Single : A 24 LYS NZ :NH3+ -157:sc= -0.0937 (180deg=-0.596) USER MOD Single : A 33 SER OG : rot -145:sc= 0.595 USER MOD Single : A 34 SER OG : rot 46:sc= 0.626 USER MOD Single : A 41 ASN : amide:sc= -0.498 K(o=-0.5,f=-9.2!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 47 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.2!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc=-0.00952 (180deg=-0.177) USER MOD Single : A 53 GLN : amide:sc= 0.755 K(o=0.76,f=-0.039) USER MOD Single : A 58 SER OG : rot 120:sc= 0 USER MOD Single : A 61 TYR OH : rot 51:sc= 0.419 USER MOD Single : A 63 TYR OH : rot 180:sc= 0.754 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0946) USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00506) USER MOD Single : A 67 SER OG : rot 180:sc= -0.483 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 32:sc= 0.45 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.81) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 15.639 8.375 4.469 1.00 32.12 N ATOM 262 CA GLN A 19 14.380 8.912 5.006 1.00 72.41 C ATOM 263 C GLN A 19 13.675 7.837 5.855 1.00 24.13 C ATOM 264 O GLN A 19 13.706 6.653 5.515 1.00 13.33 O ATOM 265 CB GLN A 19 13.461 9.382 3.866 1.00 53.15 C ATOM 266 CG GLN A 19 14.013 10.543 3.040 1.00 12.33 C ATOM 267 CD GLN A 19 14.192 11.820 3.851 1.00 54.31 C ATOM 268 OE1 GLN A 19 13.279 12.630 3.971 1.00 70.13 O ATOM 269 NE2 GLN A 19 15.369 12.021 4.407 1.00 23.23 N ATOM 0 HA GLN A 19 14.606 9.772 5.637 1.00 72.41 H new ATOM 0 HB2 GLN A 19 13.269 8.540 3.201 1.00 53.15 H new ATOM 0 HB3 GLN A 19 12.502 9.679 4.290 1.00 53.15 H new ATOM 0 HG2 GLN A 19 14.973 10.253 2.613 1.00 12.33 H new ATOM 0 HG3 GLN A 19 13.340 10.740 2.206 1.00 12.33 H new ATOM 0 HE21 GLN A 19 16.112 11.331 4.292 1.00 23.23 H new ATOM 0 HE22 GLN A 19 15.538 12.866 4.953 1.00 23.23 H new ATOM 278 N ALA A 20 13.052 8.246 6.959 1.00 12.02 N ATOM 279 CA ALA A 20 12.433 7.296 7.894 1.00 4.34 C ATOM 280 C ALA A 20 10.974 6.977 7.527 1.00 21.50 C ATOM 281 O ALA A 20 10.181 7.876 7.251 1.00 50.30 O ATOM 282 CB ALA A 20 12.508 7.839 9.316 1.00 22.32 C ATOM 0 H ALA A 20 12.960 9.225 7.231 1.00 12.02 H new ATOM 0 HA ALA A 20 12.994 6.364 7.826 1.00 4.34 H new ATOM 0 HB1 ALA A 20 12.047 7.128 10.002 1.00 22.32 H new ATOM 0 HB2 ALA A 20 13.551 7.987 9.594 1.00 22.32 H new ATOM 0 HB3 ALA A 20 11.979 8.791 9.370 1.00 22.32 H new ATOM 288 N PHE A 21 10.630 5.686 7.542 1.00 64.33 N ATOM 289 CA PHE A 21 9.260 5.228 7.258 1.00 11.15 C ATOM 290 C PHE A 21 8.357 5.334 8.502 1.00 63.43 C ATOM 291 O PHE A 21 8.551 4.602 9.472 1.00 34.13 O ATOM 292 CB PHE A 21 9.283 3.761 6.789 1.00 54.11 C ATOM 293 CG PHE A 21 10.027 3.532 5.501 1.00 11.32 C ATOM 294 CD1 PHE A 21 9.498 3.964 4.292 1.00 15.05 C ATOM 295 CD2 PHE A 21 11.255 2.884 5.495 1.00 30.40 C ATOM 296 CE1 PHE A 21 10.177 3.750 3.108 1.00 15.12 C ATOM 297 CE2 PHE A 21 11.937 2.670 4.314 1.00 22.21 C ATOM 298 CZ PHE A 21 11.397 3.101 3.120 1.00 53.34 C ATOM 0 H PHE A 21 11.285 4.932 7.749 1.00 64.33 H new ATOM 0 HA PHE A 21 8.856 5.871 6.476 1.00 11.15 H new ATOM 0 HB2 PHE A 21 9.736 3.150 7.570 1.00 54.11 H new ATOM 0 HB3 PHE A 21 8.257 3.415 6.668 1.00 54.11 H new ATOM 0 HD1 PHE A 21 8.545 4.473 4.277 1.00 15.05 H new ATOM 0 HD2 PHE A 21 11.682 2.543 6.426 1.00 30.40 H new ATOM 0 HE1 PHE A 21 9.755 4.090 2.174 1.00 15.12 H new ATOM 0 HE2 PHE A 21 12.892 2.166 4.325 1.00 22.21 H new ATOM 0 HZ PHE A 21 11.928 2.931 2.195 1.00 53.34 H new ATOM 308 N PRO A 22 7.360 6.244 8.504 1.00 75.44 N ATOM 309 CA PRO A 22 6.395 6.338 9.608 1.00 2.24 C ATOM 310 C PRO A 22 5.255 5.303 9.488 1.00 21.40 C ATOM 311 O PRO A 22 4.281 5.507 8.757 1.00 11.14 O ATOM 312 CB PRO A 22 5.869 7.770 9.468 1.00 24.22 C ATOM 313 CG PRO A 22 5.934 8.051 8.000 1.00 43.42 C ATOM 314 CD PRO A 22 7.105 7.259 7.460 1.00 1.45 C ATOM 0 HA PRO A 22 6.843 6.126 10.579 1.00 2.24 H new ATOM 0 HB2 PRO A 22 4.850 7.857 9.844 1.00 24.22 H new ATOM 0 HB3 PRO A 22 6.479 8.474 10.034 1.00 24.22 H new ATOM 0 HG2 PRO A 22 5.007 7.757 7.508 1.00 43.42 H new ATOM 0 HG3 PRO A 22 6.069 9.117 7.815 1.00 43.42 H new ATOM 0 HD2 PRO A 22 6.866 6.796 6.503 1.00 1.45 H new ATOM 0 HD3 PRO A 22 7.976 7.894 7.299 1.00 1.45 H new ATOM 322 N ARG A 23 5.370 4.197 10.222 1.00 45.51 N ATOM 323 CA ARG A 23 4.390 3.107 10.126 1.00 3.24 C ATOM 324 C ARG A 23 3.044 3.486 10.764 1.00 2.50 C ATOM 325 O ARG A 23 1.995 3.018 10.329 1.00 5.24 O ATOM 326 CB ARG A 23 4.935 1.818 10.767 1.00 20.01 C ATOM 327 CG ARG A 23 5.319 1.956 12.239 1.00 1.11 C ATOM 328 CD ARG A 23 5.679 0.609 12.861 1.00 33.32 C ATOM 329 NE ARG A 23 6.059 0.732 14.271 1.00 64.12 N ATOM 330 CZ ARG A 23 5.371 0.235 15.269 1.00 71.50 C ATOM 331 NH1 ARG A 23 4.261 -0.394 15.061 1.00 42.31 N ATOM 332 NH2 ARG A 23 5.791 0.365 16.486 1.00 11.43 N ATOM 0 H ARG A 23 6.125 4.029 10.887 1.00 45.51 H new ATOM 0 HA ARG A 23 4.218 2.928 9.065 1.00 3.24 H new ATOM 0 HB2 ARG A 23 4.183 1.034 10.673 1.00 20.01 H new ATOM 0 HB3 ARG A 23 5.810 1.490 10.206 1.00 20.01 H new ATOM 0 HG2 ARG A 23 6.165 2.637 12.331 1.00 1.11 H new ATOM 0 HG3 ARG A 23 4.491 2.401 12.790 1.00 1.11 H new ATOM 0 HD2 ARG A 23 4.829 -0.068 12.774 1.00 33.32 H new ATOM 0 HD3 ARG A 23 6.501 0.162 12.303 1.00 33.32 H new ATOM 0 HE ARG A 23 6.917 1.239 14.490 1.00 64.12 H new ATOM 0 HH11 ARG A 23 3.910 -0.509 14.110 1.00 42.31 H new ATOM 0 HH12 ARG A 23 3.736 -0.776 15.848 1.00 42.31 H new ATOM 0 HH21 ARG A 23 6.664 0.858 16.674 1.00 11.43 H new ATOM 0 HH22 ARG A 23 5.249 -0.025 17.257 1.00 11.43 H new ATOM 346 N LYS A 24 3.078 4.345 11.780 1.00 72.24 N ATOM 347 CA LYS A 24 1.864 4.743 12.508 1.00 43.42 C ATOM 348 C LYS A 24 0.815 5.404 11.598 1.00 15.11 C ATOM 349 O LYS A 24 -0.387 5.282 11.835 1.00 50.21 O ATOM 350 CB LYS A 24 2.233 5.680 13.661 1.00 40.54 C ATOM 351 CG LYS A 24 2.974 4.975 14.790 1.00 52.11 C ATOM 352 CD LYS A 24 3.318 5.928 15.930 1.00 73.54 C ATOM 353 CE LYS A 24 3.773 5.173 17.170 1.00 31.22 C ATOM 354 NZ LYS A 24 2.694 4.297 17.705 1.00 72.50 N ATOM 0 H LYS A 24 3.933 4.783 12.123 1.00 72.24 H new ATOM 0 HA LYS A 24 1.410 3.833 12.901 1.00 43.42 H new ATOM 0 HB2 LYS A 24 2.853 6.491 13.278 1.00 40.54 H new ATOM 0 HB3 LYS A 24 1.325 6.133 14.058 1.00 40.54 H new ATOM 0 HG2 LYS A 24 2.361 4.159 15.172 1.00 52.11 H new ATOM 0 HG3 LYS A 24 3.890 4.530 14.400 1.00 52.11 H new ATOM 0 HD2 LYS A 24 4.105 6.611 15.610 1.00 73.54 H new ATOM 0 HD3 LYS A 24 2.447 6.536 16.172 1.00 73.54 H new ATOM 0 HE2 LYS A 24 4.647 4.568 16.928 1.00 31.22 H new ATOM 0 HE3 LYS A 24 4.080 5.884 17.937 1.00 31.22 H new ATOM 0 HZ1 LYS A 24 2.867 4.109 18.713 1.00 72.50 H new ATOM 0 HZ2 LYS A 24 1.775 4.771 17.594 1.00 72.50 H new ATOM 0 HZ3 LYS A 24 2.685 3.398 17.182 1.00 72.50 H new ATOM 368 N PHE A 25 1.267 6.109 10.568 1.00 32.33 N ATOM 369 CA PHE A 25 0.350 6.734 9.605 1.00 32.34 C ATOM 370 C PHE A 25 0.046 5.797 8.429 1.00 20.44 C ATOM 371 O PHE A 25 -1.111 5.630 8.037 1.00 74.43 O ATOM 372 CB PHE A 25 0.935 8.049 9.081 1.00 12.43 C ATOM 373 CG PHE A 25 1.019 9.133 10.121 1.00 62.34 C ATOM 374 CD1 PHE A 25 2.149 9.268 10.913 1.00 21.42 C ATOM 375 CD2 PHE A 25 -0.035 10.018 10.308 1.00 45.52 C ATOM 376 CE1 PHE A 25 2.228 10.261 11.867 1.00 52.21 C ATOM 377 CE2 PHE A 25 0.042 11.014 11.265 1.00 71.34 C ATOM 378 CZ PHE A 25 1.174 11.135 12.044 1.00 53.30 C ATOM 0 H PHE A 25 2.256 6.265 10.373 1.00 32.33 H new ATOM 0 HA PHE A 25 -0.584 6.939 10.129 1.00 32.34 H new ATOM 0 HB2 PHE A 25 1.933 7.860 8.685 1.00 12.43 H new ATOM 0 HB3 PHE A 25 0.324 8.402 8.250 1.00 12.43 H new ATOM 0 HD1 PHE A 25 2.977 8.587 10.781 1.00 21.42 H new ATOM 0 HD2 PHE A 25 -0.923 9.928 9.700 1.00 45.52 H new ATOM 0 HE1 PHE A 25 3.115 10.355 12.476 1.00 52.21 H new ATOM 0 HE2 PHE A 25 -0.784 11.696 11.402 1.00 71.34 H new ATOM 0 HZ PHE A 25 1.236 11.912 12.791 1.00 53.30 H new ATOM 388 N VAL A 26 1.091 5.187 7.874 1.00 1.21 N ATOM 389 CA VAL A 26 0.942 4.289 6.721 1.00 10.44 C ATOM 390 C VAL A 26 0.018 3.096 7.036 1.00 31.03 C ATOM 391 O VAL A 26 -0.900 2.794 6.273 1.00 61.11 O ATOM 392 CB VAL A 26 2.319 3.769 6.237 1.00 15.20 C ATOM 393 CG1 VAL A 26 2.158 2.835 5.041 1.00 31.31 C ATOM 394 CG2 VAL A 26 3.246 4.935 5.890 1.00 53.21 C ATOM 0 H VAL A 26 2.051 5.295 8.201 1.00 1.21 H new ATOM 0 HA VAL A 26 0.482 4.875 5.925 1.00 10.44 H new ATOM 0 HB VAL A 26 2.771 3.203 7.051 1.00 15.20 H new ATOM 0 HG11 VAL A 26 3.138 2.483 4.720 1.00 31.31 H new ATOM 0 HG12 VAL A 26 1.542 1.982 5.326 1.00 31.31 H new ATOM 0 HG13 VAL A 26 1.679 3.372 4.222 1.00 31.31 H new ATOM 0 HG21 VAL A 26 4.207 4.548 5.552 1.00 53.21 H new ATOM 0 HG22 VAL A 26 2.797 5.533 5.097 1.00 53.21 H new ATOM 0 HG23 VAL A 26 3.395 5.556 6.773 1.00 53.21 H new ATOM 404 N LEU A 27 0.258 2.428 8.167 1.00 71.41 N ATOM 405 CA LEU A 27 -0.591 1.306 8.594 1.00 13.43 C ATOM 406 C LEU A 27 -2.027 1.772 8.890 1.00 14.34 C ATOM 407 O LEU A 27 -2.986 1.037 8.652 1.00 51.31 O ATOM 408 CB LEU A 27 0.004 0.614 9.830 1.00 32.05 C ATOM 409 CG LEU A 27 1.371 -0.060 9.611 1.00 14.33 C ATOM 410 CD1 LEU A 27 1.875 -0.690 10.908 1.00 60.51 C ATOM 411 CD2 LEU A 27 1.285 -1.105 8.498 1.00 50.25 C ATOM 0 H LEU A 27 1.027 2.640 8.802 1.00 71.41 H new ATOM 0 HA LEU A 27 -0.627 0.590 7.773 1.00 13.43 H new ATOM 0 HB2 LEU A 27 0.104 1.352 10.626 1.00 32.05 H new ATOM 0 HB3 LEU A 27 -0.702 -0.139 10.180 1.00 32.05 H new ATOM 0 HG LEU A 27 2.085 0.705 9.305 1.00 14.33 H new ATOM 0 HD11 LEU A 27 2.842 -1.161 10.732 1.00 60.51 H new ATOM 0 HD12 LEU A 27 1.981 0.082 11.670 1.00 60.51 H new ATOM 0 HD13 LEU A 27 1.162 -1.441 11.249 1.00 60.51 H new ATOM 0 HD21 LEU A 27 2.261 -1.570 8.359 1.00 50.25 H new ATOM 0 HD22 LEU A 27 0.556 -1.868 8.771 1.00 50.25 H new ATOM 0 HD23 LEU A 27 0.977 -0.624 7.570 1.00 50.25 H new ATOM 423 N ALA A 28 -2.162 2.998 9.399 1.00 30.14 N ATOM 424 CA ALA A 28 -3.478 3.585 9.672 1.00 11.35 C ATOM 425 C ALA A 28 -4.307 3.719 8.385 1.00 11.30 C ATOM 426 O ALA A 28 -5.473 3.327 8.340 1.00 42.13 O ATOM 427 CB ALA A 28 -3.331 4.943 10.354 1.00 20.43 C ATOM 0 H ALA A 28 -1.376 3.605 9.631 1.00 30.14 H new ATOM 0 HA ALA A 28 -4.008 2.912 10.346 1.00 11.35 H new ATOM 0 HB1 ALA A 28 -4.319 5.362 10.548 1.00 20.43 H new ATOM 0 HB2 ALA A 28 -2.797 4.821 11.296 1.00 20.43 H new ATOM 0 HB3 ALA A 28 -2.772 5.617 9.705 1.00 20.43 H new ATOM 433 N ALA A 29 -3.701 4.280 7.341 1.00 4.33 N ATOM 434 CA ALA A 29 -4.363 4.390 6.037 1.00 72.40 C ATOM 435 C ALA A 29 -4.625 3.003 5.430 1.00 23.12 C ATOM 436 O ALA A 29 -5.678 2.756 4.838 1.00 52.13 O ATOM 437 CB ALA A 29 -3.519 5.233 5.088 1.00 74.34 C ATOM 0 H ALA A 29 -2.757 4.665 7.369 1.00 4.33 H new ATOM 0 HA ALA A 29 -5.325 4.880 6.185 1.00 72.40 H new ATOM 0 HB1 ALA A 29 -4.021 5.307 4.123 1.00 74.34 H new ATOM 0 HB2 ALA A 29 -3.388 6.231 5.507 1.00 74.34 H new ATOM 0 HB3 ALA A 29 -2.544 4.764 4.955 1.00 74.34 H new ATOM 443 N LEU A 30 -3.659 2.104 5.601 1.00 45.44 N ATOM 444 CA LEU A 30 -3.747 0.734 5.081 1.00 53.51 C ATOM 445 C LEU A 30 -4.970 -0.017 5.638 1.00 22.23 C ATOM 446 O LEU A 30 -5.790 -0.540 4.879 1.00 32.14 O ATOM 447 CB LEU A 30 -2.454 -0.026 5.425 1.00 71.21 C ATOM 448 CG LEU A 30 -2.361 -1.470 4.904 1.00 3.30 C ATOM 449 CD1 LEU A 30 -2.496 -1.510 3.385 1.00 13.31 C ATOM 450 CD2 LEU A 30 -1.046 -2.108 5.344 1.00 41.32 C ATOM 0 H LEU A 30 -2.793 2.300 6.103 1.00 45.44 H new ATOM 0 HA LEU A 30 -3.869 0.790 3.999 1.00 53.51 H new ATOM 0 HB2 LEU A 30 -1.609 0.537 5.029 1.00 71.21 H new ATOM 0 HB3 LEU A 30 -2.345 -0.044 6.509 1.00 71.21 H new ATOM 0 HG LEU A 30 -3.185 -2.042 5.330 1.00 3.30 H new ATOM 0 HD11 LEU A 30 -2.427 -2.542 3.041 1.00 13.31 H new ATOM 0 HD12 LEU A 30 -3.461 -1.094 3.094 1.00 13.31 H new ATOM 0 HD13 LEU A 30 -1.697 -0.922 2.933 1.00 13.31 H new ATOM 0 HD21 LEU A 30 -0.994 -3.130 4.968 1.00 41.32 H new ATOM 0 HD22 LEU A 30 -0.211 -1.532 4.946 1.00 41.32 H new ATOM 0 HD23 LEU A 30 -0.993 -2.119 6.433 1.00 41.32 H new ATOM 462 N GLU A 31 -5.093 -0.057 6.964 1.00 31.53 N ATOM 463 CA GLU A 31 -6.181 -0.794 7.623 1.00 65.23 C ATOM 464 C GLU A 31 -7.559 -0.175 7.322 1.00 55.13 C ATOM 465 O GLU A 31 -8.577 -0.870 7.323 1.00 54.32 O ATOM 466 CB GLU A 31 -5.937 -0.861 9.140 1.00 52.43 C ATOM 467 CG GLU A 31 -6.006 0.489 9.851 1.00 21.51 C ATOM 468 CD GLU A 31 -5.582 0.406 11.312 1.00 10.51 C ATOM 469 OE1 GLU A 31 -6.205 -0.358 12.079 1.00 24.44 O ATOM 470 OE2 GLU A 31 -4.612 1.090 11.701 1.00 4.20 O ATOM 0 H GLU A 31 -4.455 0.411 7.607 1.00 31.53 H new ATOM 0 HA GLU A 31 -6.186 -1.806 7.219 1.00 65.23 H new ATOM 0 HB2 GLU A 31 -6.674 -1.530 9.585 1.00 52.43 H new ATOM 0 HB3 GLU A 31 -4.956 -1.302 9.319 1.00 52.43 H new ATOM 0 HG2 GLU A 31 -5.366 1.202 9.331 1.00 21.51 H new ATOM 0 HG3 GLU A 31 -7.024 0.874 9.794 1.00 21.51 H new ATOM 477 N GLN A 32 -7.585 1.131 7.055 1.00 2.22 N ATOM 478 CA GLN A 32 -8.831 1.821 6.695 1.00 20.12 C ATOM 479 C GLN A 32 -9.248 1.516 5.246 1.00 15.13 C ATOM 480 O GLN A 32 -10.431 1.336 4.955 1.00 65.21 O ATOM 481 CB GLN A 32 -8.679 3.334 6.902 1.00 5.44 C ATOM 482 CG GLN A 32 -8.540 3.729 8.366 1.00 45.14 C ATOM 483 CD GLN A 32 -8.381 5.224 8.559 1.00 44.13 C ATOM 484 OE1 GLN A 32 -9.359 5.949 8.703 1.00 31.23 O ATOM 485 NE2 GLN A 32 -7.153 5.699 8.566 1.00 74.20 N ATOM 0 H GLN A 32 -6.762 1.733 7.080 1.00 2.22 H new ATOM 0 HA GLN A 32 -9.619 1.450 7.350 1.00 20.12 H new ATOM 0 HB2 GLN A 32 -7.804 3.683 6.354 1.00 5.44 H new ATOM 0 HB3 GLN A 32 -9.545 3.841 6.476 1.00 5.44 H new ATOM 0 HG2 GLN A 32 -9.418 3.388 8.914 1.00 45.14 H new ATOM 0 HG3 GLN A 32 -7.678 3.218 8.795 1.00 45.14 H new ATOM 0 HE21 GLN A 32 -6.361 5.068 8.443 1.00 74.20 H new ATOM 0 HE22 GLN A 32 -6.993 6.698 8.694 1.00 74.20 H new ATOM 494 N SER A 33 -8.271 1.448 4.342 1.00 42.21 N ATOM 495 CA SER A 33 -8.535 1.092 2.937 1.00 24.34 C ATOM 496 C SER A 33 -8.717 -0.423 2.769 1.00 1.34 C ATOM 497 O SER A 33 -8.916 -0.915 1.658 1.00 72.22 O ATOM 498 CB SER A 33 -7.394 1.579 2.030 1.00 54.14 C ATOM 499 OG SER A 33 -7.276 2.994 2.056 1.00 30.23 O ATOM 0 H SER A 33 -7.290 1.633 4.551 1.00 42.21 H new ATOM 0 HA SER A 33 -9.461 1.586 2.644 1.00 24.34 H new ATOM 0 HB2 SER A 33 -6.455 1.129 2.351 1.00 54.14 H new ATOM 0 HB3 SER A 33 -7.573 1.247 1.008 1.00 54.14 H new ATOM 0 HG SER A 33 -7.006 3.316 1.171 1.00 30.23 H new ATOM 505 N SER A 34 -8.634 -1.162 3.876 1.00 22.13 N ATOM 506 CA SER A 34 -8.811 -2.621 3.853 1.00 71.44 C ATOM 507 C SER A 34 -10.275 -3.010 3.610 1.00 12.30 C ATOM 508 O SER A 34 -11.190 -2.459 4.225 1.00 44.31 O ATOM 509 CB SER A 34 -8.325 -3.252 5.167 1.00 22.25 C ATOM 510 OG SER A 34 -6.928 -3.066 5.349 1.00 21.14 O ATOM 0 H SER A 34 -8.445 -0.777 4.802 1.00 22.13 H new ATOM 0 HA SER A 34 -8.211 -3.002 3.027 1.00 71.44 H new ATOM 0 HB2 SER A 34 -8.864 -2.810 6.005 1.00 22.25 H new ATOM 0 HB3 SER A 34 -8.554 -4.318 5.167 1.00 22.25 H new ATOM 0 HG SER A 34 -6.692 -2.137 5.144 1.00 21.14 H new ATOM 516 N ASP A 35 -10.487 -3.960 2.704 1.00 4.42 N ATOM 517 CA ASP A 35 -11.829 -4.448 2.386 1.00 31.04 C ATOM 518 C ASP A 35 -12.314 -5.484 3.414 1.00 64.12 C ATOM 519 O ASP A 35 -11.618 -5.792 4.386 1.00 63.10 O ATOM 520 CB ASP A 35 -11.842 -5.055 0.980 1.00 42.04 C ATOM 521 CG ASP A 35 -11.382 -4.066 -0.078 1.00 43.14 C ATOM 522 OD1 ASP A 35 -12.026 -3.007 -0.226 1.00 42.52 O ATOM 523 OD2 ASP A 35 -10.383 -4.345 -0.771 1.00 13.42 O ATOM 0 H ASP A 35 -9.742 -4.411 2.173 1.00 4.42 H new ATOM 0 HA ASP A 35 -12.513 -3.600 2.423 1.00 31.04 H new ATOM 0 HB2 ASP A 35 -11.196 -5.933 0.959 1.00 42.04 H new ATOM 0 HB3 ASP A 35 -12.850 -5.395 0.743 1.00 42.04 H new ATOM 528 N ASP A 36 -13.504 -6.035 3.174 1.00 31.24 N ATOM 529 CA ASP A 36 -14.130 -7.003 4.085 1.00 22.52 C ATOM 530 C ASP A 36 -13.250 -8.254 4.310 1.00 43.21 C ATOM 531 O ASP A 36 -13.413 -8.972 5.297 1.00 65.02 O ATOM 532 CB ASP A 36 -15.504 -7.401 3.526 1.00 73.14 C ATOM 533 CG ASP A 36 -16.331 -8.217 4.506 1.00 51.23 C ATOM 534 OD1 ASP A 36 -16.816 -7.641 5.503 1.00 23.23 O ATOM 535 OD2 ASP A 36 -16.509 -9.434 4.284 1.00 50.12 O ATOM 0 H ASP A 36 -14.062 -5.826 2.346 1.00 31.24 H new ATOM 0 HA ASP A 36 -14.247 -6.527 5.059 1.00 22.52 H new ATOM 0 HB2 ASP A 36 -16.055 -6.500 3.256 1.00 73.14 H new ATOM 0 HB3 ASP A 36 -15.365 -7.976 2.610 1.00 73.14 H new ATOM 540 N ALA A 37 -12.310 -8.501 3.399 1.00 75.43 N ATOM 541 CA ALA A 37 -11.424 -9.674 3.487 1.00 32.34 C ATOM 542 C ALA A 37 -10.173 -9.410 4.349 1.00 2.34 C ATOM 543 O ALA A 37 -9.333 -10.296 4.516 1.00 43.43 O ATOM 544 CB ALA A 37 -11.006 -10.117 2.089 1.00 14.21 C ATOM 0 H ALA A 37 -12.138 -7.907 2.588 1.00 75.43 H new ATOM 0 HA ALA A 37 -11.990 -10.467 3.976 1.00 32.34 H new ATOM 0 HB1 ALA A 37 -10.351 -10.985 2.163 1.00 14.21 H new ATOM 0 HB2 ALA A 37 -11.892 -10.379 1.510 1.00 14.21 H new ATOM 0 HB3 ALA A 37 -10.476 -9.304 1.593 1.00 14.21 H new ATOM 550 N GLY A 38 -10.049 -8.196 4.890 1.00 63.12 N ATOM 551 CA GLY A 38 -8.874 -7.845 5.695 1.00 4.42 C ATOM 552 C GLY A 38 -7.643 -7.498 4.855 1.00 11.35 C ATOM 553 O GLY A 38 -6.511 -7.535 5.343 1.00 64.11 O ATOM 0 H GLY A 38 -10.736 -7.449 4.789 1.00 63.12 H new ATOM 0 HA2 GLY A 38 -9.120 -6.996 6.333 1.00 4.42 H new ATOM 0 HA3 GLY A 38 -8.632 -8.679 6.354 1.00 4.42 H new ATOM 557 N TRP A 39 -7.873 -7.160 3.587 1.00 61.22 N ATOM 558 CA TRP A 39 -6.801 -6.777 2.658 1.00 13.53 C ATOM 559 C TRP A 39 -7.135 -5.460 1.951 1.00 51.03 C ATOM 560 O TRP A 39 -8.284 -5.219 1.589 1.00 42.45 O ATOM 561 CB TRP A 39 -6.579 -7.877 1.610 1.00 14.44 C ATOM 562 CG TRP A 39 -5.956 -9.126 2.155 1.00 52.35 C ATOM 563 CD1 TRP A 39 -6.590 -10.158 2.780 1.00 22.13 C ATOM 564 CD2 TRP A 39 -4.569 -9.471 2.112 1.00 14.13 C ATOM 565 NE1 TRP A 39 -5.681 -11.123 3.133 1.00 13.32 N ATOM 566 CE2 TRP A 39 -4.432 -10.726 2.734 1.00 73.35 C ATOM 567 CE3 TRP A 39 -3.432 -8.839 1.610 1.00 3.52 C ATOM 568 CZ2 TRP A 39 -3.199 -11.361 2.860 1.00 34.22 C ATOM 569 CZ3 TRP A 39 -2.208 -9.466 1.737 1.00 2.34 C ATOM 570 CH2 TRP A 39 -2.099 -10.716 2.359 1.00 40.14 C ATOM 0 H TRP A 39 -8.804 -7.143 3.172 1.00 61.22 H new ATOM 0 HA TRP A 39 -5.889 -6.644 3.239 1.00 13.53 H new ATOM 0 HB2 TRP A 39 -7.537 -8.130 1.156 1.00 14.44 H new ATOM 0 HB3 TRP A 39 -5.944 -7.484 0.816 1.00 14.44 H new ATOM 0 HD1 TRP A 39 -7.652 -10.209 2.970 1.00 22.13 H new ATOM 0 HE1 TRP A 39 -5.900 -11.995 3.615 1.00 13.32 H new ATOM 0 HE3 TRP A 39 -3.507 -7.875 1.130 1.00 3.52 H new ATOM 0 HZ2 TRP A 39 -3.113 -12.327 3.335 1.00 34.22 H new ATOM 0 HZ3 TRP A 39 -1.321 -8.985 1.351 1.00 2.34 H new ATOM 0 HH2 TRP A 39 -1.128 -11.181 2.445 1.00 40.14 H new ATOM 581 N ALA A 40 -6.129 -4.617 1.749 1.00 50.21 N ATOM 582 CA ALA A 40 -6.316 -3.326 1.076 1.00 71.54 C ATOM 583 C ALA A 40 -5.701 -3.321 -0.328 1.00 24.41 C ATOM 584 O ALA A 40 -4.522 -3.627 -0.497 1.00 10.24 O ATOM 585 CB ALA A 40 -5.702 -2.212 1.912 1.00 33.22 C ATOM 0 H ALA A 40 -5.169 -4.801 2.041 1.00 50.21 H new ATOM 0 HA ALA A 40 -7.388 -3.160 0.970 1.00 71.54 H new ATOM 0 HB1 ALA A 40 -5.845 -1.257 1.406 1.00 33.22 H new ATOM 0 HB2 ALA A 40 -6.185 -2.181 2.889 1.00 33.22 H new ATOM 0 HB3 ALA A 40 -4.636 -2.399 2.041 1.00 33.22 H new ATOM 591 N ASN A 41 -6.504 -2.969 -1.329 1.00 53.43 N ATOM 592 CA ASN A 41 -6.023 -2.864 -2.708 1.00 24.21 C ATOM 593 C ASN A 41 -4.979 -1.743 -2.824 1.00 0.13 C ATOM 594 O ASN A 41 -5.204 -0.630 -2.351 1.00 51.24 O ATOM 595 CB ASN A 41 -7.206 -2.599 -3.658 1.00 63.31 C ATOM 596 CG ASN A 41 -6.815 -2.588 -5.132 1.00 32.12 C ATOM 597 OD1 ASN A 41 -5.703 -2.226 -5.499 1.00 20.10 O ATOM 598 ND2 ASN A 41 -7.734 -2.981 -5.992 1.00 63.20 N ATOM 0 H ASN A 41 -7.494 -2.751 -1.213 1.00 53.43 H new ATOM 0 HA ASN A 41 -5.550 -3.805 -2.991 1.00 24.21 H new ATOM 0 HB2 ASN A 41 -7.967 -3.363 -3.498 1.00 63.31 H new ATOM 0 HB3 ASN A 41 -7.658 -1.640 -3.403 1.00 63.31 H new ATOM 0 HD21 ASN A 41 -7.528 -2.989 -6.991 1.00 63.20 H new ATOM 0 HD22 ASN A 41 -8.651 -3.277 -5.658 1.00 63.20 H new ATOM 605 N LEU A 42 -3.849 -2.056 -3.456 1.00 13.33 N ATOM 606 CA LEU A 42 -2.753 -1.097 -3.657 1.00 12.41 C ATOM 607 C LEU A 42 -3.266 0.297 -4.072 1.00 23.42 C ATOM 608 O LEU A 42 -2.813 1.317 -3.545 1.00 44.33 O ATOM 609 CB LEU A 42 -1.796 -1.638 -4.726 1.00 44.42 C ATOM 610 CG LEU A 42 -0.619 -0.721 -5.093 1.00 60.35 C ATOM 611 CD1 LEU A 42 0.323 -0.532 -3.904 1.00 61.22 C ATOM 612 CD2 LEU A 42 0.127 -1.281 -6.299 1.00 65.12 C ATOM 0 H LEU A 42 -3.663 -2.980 -3.845 1.00 13.33 H new ATOM 0 HA LEU A 42 -2.233 -0.981 -2.706 1.00 12.41 H new ATOM 0 HB2 LEU A 42 -1.396 -2.591 -4.380 1.00 44.42 H new ATOM 0 HB3 LEU A 42 -2.369 -1.842 -5.630 1.00 44.42 H new ATOM 0 HG LEU A 42 -1.015 0.260 -5.356 1.00 60.35 H new ATOM 0 HD11 LEU A 42 1.147 0.121 -4.192 1.00 61.22 H new ATOM 0 HD12 LEU A 42 -0.223 -0.083 -3.075 1.00 61.22 H new ATOM 0 HD13 LEU A 42 0.718 -1.500 -3.596 1.00 61.22 H new ATOM 0 HD21 LEU A 42 0.959 -0.623 -6.550 1.00 65.12 H new ATOM 0 HD22 LEU A 42 0.509 -2.274 -6.062 1.00 65.12 H new ATOM 0 HD23 LEU A 42 -0.553 -1.347 -7.149 1.00 65.12 H new ATOM 624 N GLY A 43 -4.210 0.327 -5.012 1.00 61.31 N ATOM 625 CA GLY A 43 -4.798 1.588 -5.455 1.00 50.01 C ATOM 626 C GLY A 43 -5.494 2.360 -4.333 1.00 72.21 C ATOM 627 O GLY A 43 -5.197 3.533 -4.098 1.00 31.35 O ATOM 0 H GLY A 43 -4.581 -0.501 -5.478 1.00 61.31 H new ATOM 0 HA2 GLY A 43 -4.016 2.214 -5.886 1.00 50.01 H new ATOM 0 HA3 GLY A 43 -5.518 1.386 -6.248 1.00 50.01 H new ATOM 631 N ASN A 44 -6.419 1.696 -3.635 1.00 45.31 N ATOM 632 CA ASN A 44 -7.151 2.314 -2.516 1.00 33.41 C ATOM 633 C ASN A 44 -6.203 2.703 -1.368 1.00 62.21 C ATOM 634 O ASN A 44 -6.420 3.699 -0.675 1.00 22.01 O ATOM 635 CB ASN A 44 -8.241 1.363 -2.002 1.00 2.13 C ATOM 636 CG ASN A 44 -9.317 1.099 -3.044 1.00 72.11 C ATOM 637 OD1 ASN A 44 -9.606 1.944 -3.882 1.00 44.33 O ATOM 638 ND2 ASN A 44 -9.924 -0.066 -2.997 1.00 32.13 N ATOM 0 H ASN A 44 -6.682 0.728 -3.822 1.00 45.31 H new ATOM 0 HA ASN A 44 -7.618 3.226 -2.888 1.00 33.41 H new ATOM 0 HB2 ASN A 44 -7.785 0.418 -1.706 1.00 2.13 H new ATOM 0 HB3 ASN A 44 -8.700 1.789 -1.109 1.00 2.13 H new ATOM 0 HD21 ASN A 44 -10.658 -0.286 -3.670 1.00 32.13 H new ATOM 0 HD22 ASN A 44 -9.661 -0.750 -2.287 1.00 32.13 H new ATOM 645 N PHE A 45 -5.152 1.909 -1.178 1.00 61.12 N ATOM 646 CA PHE A 45 -4.127 2.196 -0.169 1.00 51.31 C ATOM 647 C PHE A 45 -3.368 3.489 -0.502 1.00 32.13 C ATOM 648 O PHE A 45 -3.379 4.440 0.279 1.00 52.52 O ATOM 649 CB PHE A 45 -3.151 1.014 -0.066 1.00 53.44 C ATOM 650 CG PHE A 45 -1.920 1.295 0.766 1.00 73.24 C ATOM 651 CD1 PHE A 45 -2.032 1.738 2.076 1.00 63.42 C ATOM 652 CD2 PHE A 45 -0.651 1.112 0.234 1.00 52.25 C ATOM 653 CE1 PHE A 45 -0.905 1.993 2.836 1.00 64.40 C ATOM 654 CE2 PHE A 45 0.479 1.365 0.991 1.00 52.25 C ATOM 655 CZ PHE A 45 0.350 1.806 2.291 1.00 14.13 C ATOM 0 H PHE A 45 -4.984 1.056 -1.712 1.00 61.12 H new ATOM 0 HA PHE A 45 -4.621 2.337 0.792 1.00 51.31 H new ATOM 0 HB2 PHE A 45 -3.677 0.160 0.361 1.00 53.44 H new ATOM 0 HB3 PHE A 45 -2.839 0.727 -1.070 1.00 53.44 H new ATOM 0 HD1 PHE A 45 -3.011 1.885 2.507 1.00 63.42 H new ATOM 0 HD2 PHE A 45 -0.544 0.768 -0.784 1.00 52.25 H new ATOM 0 HE1 PHE A 45 -1.006 2.338 3.854 1.00 64.40 H new ATOM 0 HE2 PHE A 45 1.460 1.217 0.565 1.00 52.25 H new ATOM 0 HZ PHE A 45 1.231 2.005 2.883 1.00 14.13 H new ATOM 665 N GLY A 46 -2.721 3.520 -1.668 1.00 71.41 N ATOM 666 CA GLY A 46 -1.981 4.708 -2.090 1.00 13.21 C ATOM 667 C GLY A 46 -2.851 5.959 -2.152 1.00 4.35 C ATOM 668 O GLY A 46 -2.403 7.059 -1.817 1.00 13.43 O ATOM 0 H GLY A 46 -2.694 2.745 -2.330 1.00 71.41 H new ATOM 0 HA2 GLY A 46 -1.155 4.880 -1.399 1.00 13.21 H new ATOM 0 HA3 GLY A 46 -1.543 4.527 -3.072 1.00 13.21 H new ATOM 672 N ASN A 47 -4.101 5.782 -2.576 1.00 75.15 N ATOM 673 CA ASN A 47 -5.077 6.875 -2.637 1.00 31.21 C ATOM 674 C ASN A 47 -5.267 7.533 -1.257 1.00 21.14 C ATOM 675 O ASN A 47 -5.018 8.728 -1.080 1.00 32.02 O ATOM 676 CB ASN A 47 -6.420 6.328 -3.153 1.00 42.33 C ATOM 677 CG ASN A 47 -7.455 7.409 -3.433 1.00 31.21 C ATOM 678 OD1 ASN A 47 -7.446 8.476 -2.836 1.00 42.01 O ATOM 679 ND2 ASN A 47 -8.364 7.135 -4.349 1.00 23.11 N ATOM 0 H ASN A 47 -4.467 4.882 -2.886 1.00 75.15 H new ATOM 0 HA ASN A 47 -4.703 7.638 -3.319 1.00 31.21 H new ATOM 0 HB2 ASN A 47 -6.244 5.761 -4.067 1.00 42.33 H new ATOM 0 HB3 ASN A 47 -6.825 5.632 -2.419 1.00 42.33 H new ATOM 0 HD21 ASN A 47 -9.084 7.822 -4.575 1.00 23.11 H new ATOM 0 HD22 ASN A 47 -8.347 6.236 -4.831 1.00 23.11 H new ATOM 686 N TYR A 48 -5.687 6.737 -0.274 1.00 62.34 N ATOM 687 CA TYR A 48 -5.987 7.253 1.066 1.00 30.54 C ATOM 688 C TYR A 48 -4.703 7.588 1.848 1.00 51.30 C ATOM 689 O TYR A 48 -4.710 8.442 2.739 1.00 33.03 O ATOM 690 CB TYR A 48 -6.840 6.235 1.842 1.00 41.21 C ATOM 691 CG TYR A 48 -7.545 6.828 3.051 1.00 55.41 C ATOM 692 CD1 TYR A 48 -8.654 7.653 2.886 1.00 54.31 C ATOM 693 CD2 TYR A 48 -7.103 6.574 4.347 1.00 63.20 C ATOM 694 CE1 TYR A 48 -9.302 8.203 3.973 1.00 51.13 C ATOM 695 CE2 TYR A 48 -7.749 7.124 5.440 1.00 52.24 C ATOM 696 CZ TYR A 48 -8.847 7.937 5.247 1.00 25.41 C ATOM 697 OH TYR A 48 -9.497 8.490 6.331 1.00 12.23 O ATOM 0 H TYR A 48 -5.828 5.732 -0.378 1.00 62.34 H new ATOM 0 HA TYR A 48 -6.550 8.179 0.951 1.00 30.54 H new ATOM 0 HB2 TYR A 48 -7.585 5.810 1.169 1.00 41.21 H new ATOM 0 HB3 TYR A 48 -6.202 5.414 2.170 1.00 41.21 H new ATOM 0 HD1 TYR A 48 -9.013 7.866 1.890 1.00 54.31 H new ATOM 0 HD2 TYR A 48 -6.243 5.938 4.501 1.00 63.20 H new ATOM 0 HE1 TYR A 48 -10.162 8.839 3.826 1.00 51.13 H new ATOM 0 HE2 TYR A 48 -7.395 6.918 6.439 1.00 52.24 H new ATOM 0 HH TYR A 48 -9.055 8.205 7.158 1.00 12.23 H new ATOM 707 N LEU A 49 -3.600 6.925 1.497 1.00 44.22 N ATOM 708 CA LEU A 49 -2.308 7.151 2.162 1.00 70.23 C ATOM 709 C LEU A 49 -1.836 8.603 2.013 1.00 33.11 C ATOM 710 O LEU A 49 -1.555 9.277 3.006 1.00 15.35 O ATOM 711 CB LEU A 49 -1.242 6.196 1.603 1.00 53.43 C ATOM 712 CG LEU A 49 0.169 6.351 2.207 1.00 1.41 C ATOM 713 CD1 LEU A 49 0.139 6.122 3.717 1.00 75.33 C ATOM 714 CD2 LEU A 49 1.152 5.391 1.536 1.00 1.10 C ATOM 0 H LEU A 49 -3.572 6.225 0.755 1.00 44.22 H new ATOM 0 HA LEU A 49 -2.451 6.952 3.224 1.00 70.23 H new ATOM 0 HB2 LEU A 49 -1.577 5.171 1.764 1.00 53.43 H new ATOM 0 HB3 LEU A 49 -1.175 6.344 0.525 1.00 53.43 H new ATOM 0 HG LEU A 49 0.507 7.371 2.023 1.00 1.41 H new ATOM 0 HD11 LEU A 49 1.144 6.236 4.122 1.00 75.33 H new ATOM 0 HD12 LEU A 49 -0.525 6.851 4.182 1.00 75.33 H new ATOM 0 HD13 LEU A 49 -0.224 5.116 3.925 1.00 75.33 H new ATOM 0 HD21 LEU A 49 2.141 5.516 1.976 1.00 1.10 H new ATOM 0 HD22 LEU A 49 0.816 4.365 1.684 1.00 1.10 H new ATOM 0 HD23 LEU A 49 1.200 5.607 0.469 1.00 1.10 H new ATOM 726 N ASN A 50 -1.760 9.085 0.774 1.00 32.24 N ATOM 727 CA ASN A 50 -1.274 10.444 0.508 1.00 54.33 C ATOM 728 C ASN A 50 -2.173 11.512 1.158 1.00 34.02 C ATOM 729 O ASN A 50 -1.717 12.611 1.479 1.00 2.33 O ATOM 730 CB ASN A 50 -1.163 10.687 -0.999 1.00 13.40 C ATOM 731 CG ASN A 50 -0.568 12.049 -1.320 1.00 73.42 C ATOM 732 OD1 ASN A 50 -1.286 13.027 -1.493 1.00 3.21 O ATOM 733 ND2 ASN A 50 0.748 12.132 -1.382 1.00 70.21 N ATOM 0 H ASN A 50 -2.026 8.561 -0.059 1.00 32.24 H new ATOM 0 HA ASN A 50 -0.284 10.531 0.956 1.00 54.33 H new ATOM 0 HB2 ASN A 50 -0.545 9.908 -1.446 1.00 13.40 H new ATOM 0 HB3 ASN A 50 -2.152 10.609 -1.452 1.00 13.40 H new ATOM 0 HD21 ASN A 50 1.194 13.028 -1.578 1.00 70.21 H new ATOM 0 HD22 ASN A 50 1.319 11.300 -1.233 1.00 70.21 H new ATOM 740 N LYS A 51 -3.451 11.183 1.351 1.00 34.44 N ATOM 741 CA LYS A 51 -4.387 12.083 2.040 1.00 5.22 C ATOM 742 C LYS A 51 -3.954 12.320 3.496 1.00 73.15 C ATOM 743 O LYS A 51 -4.112 13.419 4.038 1.00 50.34 O ATOM 744 CB LYS A 51 -5.806 11.496 2.011 1.00 3.04 C ATOM 745 CG LYS A 51 -6.346 11.239 0.607 1.00 1.21 C ATOM 746 CD LYS A 51 -7.714 10.562 0.642 1.00 75.33 C ATOM 747 CE LYS A 51 -8.788 11.466 1.239 1.00 15.03 C ATOM 748 NZ LYS A 51 -9.010 12.687 0.425 1.00 52.42 N ATOM 0 H LYS A 51 -3.864 10.303 1.042 1.00 34.44 H new ATOM 0 HA LYS A 51 -4.381 13.039 1.517 1.00 5.22 H new ATOM 0 HB2 LYS A 51 -5.811 10.559 2.568 1.00 3.04 H new ATOM 0 HB3 LYS A 51 -6.480 12.178 2.529 1.00 3.04 H new ATOM 0 HG2 LYS A 51 -6.421 12.183 0.068 1.00 1.21 H new ATOM 0 HG3 LYS A 51 -5.644 10.613 0.056 1.00 1.21 H new ATOM 0 HD2 LYS A 51 -8.003 10.277 -0.370 1.00 75.33 H new ATOM 0 HD3 LYS A 51 -7.648 9.644 1.226 1.00 75.33 H new ATOM 0 HE2 LYS A 51 -9.723 10.911 1.321 1.00 15.03 H new ATOM 0 HE3 LYS A 51 -8.498 11.753 2.250 1.00 15.03 H new ATOM 0 HZ1 LYS A 51 -9.875 13.166 0.747 1.00 52.42 H new ATOM 0 HZ2 LYS A 51 -8.198 13.328 0.533 1.00 52.42 H new ATOM 0 HZ3 LYS A 51 -9.112 12.423 -0.576 1.00 52.42 H new ATOM 762 N LEU A 52 -3.406 11.282 4.125 1.00 64.53 N ATOM 763 CA LEU A 52 -2.934 11.375 5.512 1.00 0.53 C ATOM 764 C LEU A 52 -1.461 11.818 5.577 1.00 73.04 C ATOM 765 O LEU A 52 -1.051 12.515 6.507 1.00 61.35 O ATOM 766 CB LEU A 52 -3.103 10.026 6.229 1.00 14.55 C ATOM 767 CG LEU A 52 -4.530 9.445 6.228 1.00 40.35 C ATOM 768 CD1 LEU A 52 -4.605 8.191 7.095 1.00 3.05 C ATOM 769 CD2 LEU A 52 -5.548 10.488 6.690 1.00 24.30 C ATOM 0 H LEU A 52 -3.276 10.364 3.699 1.00 64.53 H new ATOM 0 HA LEU A 52 -3.540 12.129 6.015 1.00 0.53 H new ATOM 0 HB2 LEU A 52 -2.435 9.301 5.764 1.00 14.55 H new ATOM 0 HB3 LEU A 52 -2.778 10.141 7.263 1.00 14.55 H new ATOM 0 HG LEU A 52 -4.778 9.166 5.204 1.00 40.35 H new ATOM 0 HD11 LEU A 52 -5.622 7.798 7.079 1.00 3.05 H new ATOM 0 HD12 LEU A 52 -3.919 7.438 6.706 1.00 3.05 H new ATOM 0 HD13 LEU A 52 -4.328 8.440 8.119 1.00 3.05 H new ATOM 0 HD21 LEU A 52 -6.547 10.051 6.680 1.00 24.30 H new ATOM 0 HD22 LEU A 52 -5.304 10.811 7.702 1.00 24.30 H new ATOM 0 HD23 LEU A 52 -5.520 11.346 6.018 1.00 24.30 H new ATOM 781 N GLN A 53 -0.667 11.405 4.587 1.00 40.44 N ATOM 782 CA GLN A 53 0.765 11.731 4.545 1.00 43.24 C ATOM 783 C GLN A 53 1.201 12.297 3.179 1.00 61.41 C ATOM 784 O GLN A 53 1.668 11.561 2.309 1.00 74.12 O ATOM 785 CB GLN A 53 1.609 10.490 4.878 1.00 62.51 C ATOM 786 CG GLN A 53 1.541 10.056 6.336 1.00 43.11 C ATOM 787 CD GLN A 53 2.190 11.063 7.274 1.00 51.24 C ATOM 788 OE1 GLN A 53 3.383 10.992 7.549 1.00 12.53 O ATOM 789 NE2 GLN A 53 1.416 12.008 7.768 1.00 54.32 N ATOM 0 H GLN A 53 -0.990 10.842 3.800 1.00 40.44 H new ATOM 0 HA GLN A 53 0.932 12.505 5.294 1.00 43.24 H new ATOM 0 HB2 GLN A 53 1.280 9.662 4.249 1.00 62.51 H new ATOM 0 HB3 GLN A 53 2.648 10.693 4.620 1.00 62.51 H new ATOM 0 HG2 GLN A 53 0.498 9.917 6.622 1.00 43.11 H new ATOM 0 HG3 GLN A 53 2.034 9.090 6.448 1.00 43.11 H new ATOM 0 HE21 GLN A 53 0.427 12.039 7.519 1.00 54.32 H new ATOM 0 HE22 GLN A 53 1.806 12.708 8.399 1.00 54.32 H new ATOM 798 N PRO A 54 1.053 13.621 2.972 1.00 65.51 N ATOM 799 CA PRO A 54 1.600 14.296 1.782 1.00 21.25 C ATOM 800 C PRO A 54 3.130 14.427 1.867 1.00 62.24 C ATOM 801 O PRO A 54 3.811 14.693 0.874 1.00 13.21 O ATOM 802 CB PRO A 54 0.926 15.674 1.816 1.00 52.42 C ATOM 803 CG PRO A 54 0.607 15.909 3.258 1.00 4.12 C ATOM 804 CD PRO A 54 0.332 14.555 3.860 1.00 20.14 C ATOM 0 HA PRO A 54 1.408 13.749 0.859 1.00 21.25 H new ATOM 0 HB2 PRO A 54 1.588 16.448 1.426 1.00 52.42 H new ATOM 0 HB3 PRO A 54 0.024 15.688 1.204 1.00 52.42 H new ATOM 0 HG2 PRO A 54 1.439 16.398 3.765 1.00 4.12 H new ATOM 0 HG3 PRO A 54 -0.258 16.563 3.363 1.00 4.12 H new ATOM 0 HD2 PRO A 54 0.695 14.492 4.886 1.00 20.14 H new ATOM 0 HD3 PRO A 54 -0.736 14.338 3.886 1.00 20.14 H new ATOM 812 N ASP A 55 3.657 14.227 3.076 1.00 61.44 N ATOM 813 CA ASP A 55 5.098 14.261 3.334 1.00 63.11 C ATOM 814 C ASP A 55 5.761 12.916 2.962 1.00 73.23 C ATOM 815 O ASP A 55 6.987 12.812 2.871 1.00 72.32 O ATOM 816 CB ASP A 55 5.325 14.590 4.818 1.00 73.01 C ATOM 817 CG ASP A 55 6.788 14.774 5.182 1.00 71.14 C ATOM 818 OD1 ASP A 55 7.477 15.565 4.503 1.00 72.14 O ATOM 819 OD2 ASP A 55 7.248 14.149 6.164 1.00 33.52 O ATOM 0 H ASP A 55 3.096 14.036 3.906 1.00 61.44 H new ATOM 0 HA ASP A 55 5.559 15.030 2.714 1.00 63.11 H new ATOM 0 HB2 ASP A 55 4.780 15.500 5.067 1.00 73.01 H new ATOM 0 HB3 ASP A 55 4.905 13.790 5.428 1.00 73.01 H new ATOM 824 N PHE A 56 4.937 11.896 2.727 1.00 14.32 N ATOM 825 CA PHE A 56 5.430 10.552 2.404 1.00 41.10 C ATOM 826 C PHE A 56 5.335 10.299 0.891 1.00 34.12 C ATOM 827 O PHE A 56 4.260 10.008 0.367 1.00 13.31 O ATOM 828 CB PHE A 56 4.618 9.501 3.178 1.00 34.10 C ATOM 829 CG PHE A 56 5.118 8.085 3.021 1.00 0.21 C ATOM 830 CD1 PHE A 56 6.200 7.633 3.765 1.00 11.11 C ATOM 831 CD2 PHE A 56 4.504 7.204 2.139 1.00 33.31 C ATOM 832 CE1 PHE A 56 6.655 6.334 3.635 1.00 74.04 C ATOM 833 CE2 PHE A 56 4.958 5.904 2.005 1.00 45.44 C ATOM 834 CZ PHE A 56 6.034 5.469 2.753 1.00 21.21 C ATOM 0 H PHE A 56 3.920 11.972 2.754 1.00 14.32 H new ATOM 0 HA PHE A 56 6.477 10.476 2.699 1.00 41.10 H new ATOM 0 HB2 PHE A 56 4.626 9.761 4.237 1.00 34.10 H new ATOM 0 HB3 PHE A 56 3.580 9.546 2.847 1.00 34.10 H new ATOM 0 HD1 PHE A 56 6.692 8.304 4.453 1.00 11.11 H new ATOM 0 HD2 PHE A 56 3.662 7.538 1.551 1.00 33.31 H new ATOM 0 HE1 PHE A 56 7.495 5.995 4.222 1.00 74.04 H new ATOM 0 HE2 PHE A 56 4.471 5.230 1.316 1.00 45.44 H new ATOM 0 HZ PHE A 56 6.390 4.455 2.649 1.00 21.21 H new ATOM 844 N ASP A 57 6.459 10.434 0.190 1.00 42.40 N ATOM 845 CA ASP A 57 6.487 10.263 -1.267 1.00 45.22 C ATOM 846 C ASP A 57 7.564 9.248 -1.696 1.00 41.35 C ATOM 847 O ASP A 57 8.695 9.288 -1.211 1.00 71.32 O ATOM 848 CB ASP A 57 6.730 11.616 -1.943 1.00 15.41 C ATOM 849 CG ASP A 57 6.517 11.552 -3.440 1.00 45.44 C ATOM 850 OD1 ASP A 57 5.349 11.426 -3.864 1.00 34.12 O ATOM 851 OD2 ASP A 57 7.505 11.614 -4.198 1.00 44.02 O ATOM 0 H ASP A 57 7.363 10.661 0.604 1.00 42.40 H new ATOM 0 HA ASP A 57 5.520 9.870 -1.582 1.00 45.22 H new ATOM 0 HB2 ASP A 57 6.060 12.361 -1.514 1.00 15.41 H new ATOM 0 HB3 ASP A 57 7.748 11.946 -1.736 1.00 15.41 H new ATOM 856 N SER A 58 7.209 8.361 -2.624 1.00 62.11 N ATOM 857 CA SER A 58 8.110 7.283 -3.070 1.00 61.21 C ATOM 858 C SER A 58 9.397 7.817 -3.716 1.00 20.31 C ATOM 859 O SER A 58 10.481 7.271 -3.494 1.00 0.21 O ATOM 860 CB SER A 58 7.384 6.360 -4.056 1.00 13.13 C ATOM 861 OG SER A 58 6.216 5.811 -3.472 1.00 34.23 O ATOM 0 H SER A 58 6.300 8.362 -3.088 1.00 62.11 H new ATOM 0 HA SER A 58 8.399 6.725 -2.179 1.00 61.21 H new ATOM 0 HB2 SER A 58 7.118 6.918 -4.954 1.00 13.13 H new ATOM 0 HB3 SER A 58 8.052 5.556 -4.366 1.00 13.13 H new ATOM 0 HG SER A 58 5.432 6.078 -3.996 1.00 34.23 H new ATOM 867 N ARG A 59 9.281 8.886 -4.510 1.00 62.14 N ATOM 868 CA ARG A 59 10.446 9.467 -5.193 1.00 14.53 C ATOM 869 C ARG A 59 11.523 9.907 -4.188 1.00 35.02 C ATOM 870 O ARG A 59 12.721 9.817 -4.468 1.00 30.12 O ATOM 871 CB ARG A 59 10.022 10.660 -6.063 1.00 21.13 C ATOM 872 CG ARG A 59 9.090 10.296 -7.218 1.00 25.45 C ATOM 873 CD ARG A 59 9.771 9.396 -8.248 1.00 52.21 C ATOM 874 NE ARG A 59 10.981 10.005 -8.809 1.00 14.42 N ATOM 875 CZ ARG A 59 11.394 9.836 -10.036 1.00 11.11 C ATOM 876 NH1 ARG A 59 10.702 9.138 -10.875 1.00 1.13 N ATOM 877 NH2 ARG A 59 12.498 10.383 -10.424 1.00 31.25 N ATOM 0 H ARG A 59 8.400 9.365 -4.696 1.00 62.14 H new ATOM 0 HA ARG A 59 10.872 8.694 -5.832 1.00 14.53 H new ATOM 0 HB2 ARG A 59 9.528 11.398 -5.431 1.00 21.13 H new ATOM 0 HB3 ARG A 59 10.915 11.135 -6.468 1.00 21.13 H new ATOM 0 HG2 ARG A 59 8.207 9.792 -6.825 1.00 25.45 H new ATOM 0 HG3 ARG A 59 8.746 11.208 -7.706 1.00 25.45 H new ATOM 0 HD2 ARG A 59 10.029 8.445 -7.782 1.00 52.21 H new ATOM 0 HD3 ARG A 59 9.071 9.176 -9.054 1.00 52.21 H new ATOM 0 HE ARG A 59 11.539 10.602 -8.198 1.00 14.42 H new ATOM 0 HH11 ARG A 59 9.823 8.712 -10.581 1.00 1.13 H new ATOM 0 HH12 ARG A 59 11.035 9.013 -11.831 1.00 1.13 H new ATOM 0 HH21 ARG A 59 13.045 10.945 -9.772 1.00 31.25 H new ATOM 0 HH22 ARG A 59 12.823 10.252 -11.382 1.00 31.25 H new ATOM 891 N LEU A 60 11.090 10.356 -3.009 1.00 70.20 N ATOM 892 CA LEU A 60 12.013 10.781 -1.946 1.00 51.32 C ATOM 893 C LEU A 60 12.938 9.632 -1.508 1.00 0.24 C ATOM 894 O LEU A 60 14.069 9.857 -1.081 1.00 31.34 O ATOM 895 CB LEU A 60 11.228 11.294 -0.728 1.00 24.14 C ATOM 896 CG LEU A 60 10.295 12.490 -0.991 1.00 62.31 C ATOM 897 CD1 LEU A 60 9.485 12.822 0.259 1.00 30.20 C ATOM 898 CD2 LEU A 60 11.088 13.708 -1.458 1.00 0.03 C ATOM 0 H LEU A 60 10.104 10.436 -2.762 1.00 70.20 H new ATOM 0 HA LEU A 60 12.628 11.585 -2.351 1.00 51.32 H new ATOM 0 HB2 LEU A 60 10.632 10.472 -0.331 1.00 24.14 H new ATOM 0 HB3 LEU A 60 11.940 11.576 0.048 1.00 24.14 H new ATOM 0 HG LEU A 60 9.603 12.213 -1.786 1.00 62.31 H new ATOM 0 HD11 LEU A 60 8.831 13.670 0.054 1.00 30.20 H new ATOM 0 HD12 LEU A 60 8.882 11.959 0.542 1.00 30.20 H new ATOM 0 HD13 LEU A 60 10.162 13.075 1.075 1.00 30.20 H new ATOM 0 HD21 LEU A 60 10.406 14.539 -1.637 1.00 0.03 H new ATOM 0 HD22 LEU A 60 11.809 13.989 -0.690 1.00 0.03 H new ATOM 0 HD23 LEU A 60 11.616 13.467 -2.381 1.00 0.03 H new ATOM 910 N TYR A 61 12.442 8.400 -1.616 1.00 63.41 N ATOM 911 CA TYR A 61 13.200 7.209 -1.209 1.00 25.54 C ATOM 912 C TYR A 61 13.950 6.573 -2.394 1.00 45.51 C ATOM 913 O TYR A 61 14.643 5.565 -2.234 1.00 12.11 O ATOM 914 CB TYR A 61 12.247 6.182 -0.580 1.00 34.35 C ATOM 915 CG TYR A 61 11.535 6.687 0.663 1.00 32.43 C ATOM 916 CD1 TYR A 61 10.352 7.414 0.567 1.00 41.02 C ATOM 917 CD2 TYR A 61 12.047 6.439 1.932 1.00 51.25 C ATOM 918 CE1 TYR A 61 9.704 7.880 1.695 1.00 55.35 C ATOM 919 CE2 TYR A 61 11.401 6.900 3.064 1.00 20.42 C ATOM 920 CZ TYR A 61 10.232 7.620 2.941 1.00 72.04 C ATOM 921 OH TYR A 61 9.595 8.084 4.067 1.00 42.11 O ATOM 0 H TYR A 61 11.513 8.196 -1.984 1.00 63.41 H new ATOM 0 HA TYR A 61 13.946 7.520 -0.478 1.00 25.54 H new ATOM 0 HB2 TYR A 61 11.502 5.890 -1.321 1.00 34.35 H new ATOM 0 HB3 TYR A 61 12.811 5.285 -0.325 1.00 34.35 H new ATOM 0 HD1 TYR A 61 9.933 7.618 -0.407 1.00 41.02 H new ATOM 0 HD2 TYR A 61 12.964 5.877 2.035 1.00 51.25 H new ATOM 0 HE1 TYR A 61 8.788 8.445 1.601 1.00 55.35 H new ATOM 0 HE2 TYR A 61 11.811 6.697 4.042 1.00 20.42 H new ATOM 0 HH TYR A 61 8.650 7.825 4.038 1.00 42.11 H new ATOM 931 N GLY A 62 13.807 7.161 -3.581 1.00 2.30 N ATOM 932 CA GLY A 62 14.479 6.638 -4.768 1.00 12.55 C ATOM 933 C GLY A 62 13.670 5.580 -5.517 1.00 41.35 C ATOM 934 O GLY A 62 14.192 4.906 -6.406 1.00 74.32 O ATOM 0 H GLY A 62 13.238 7.991 -3.745 1.00 2.30 H new ATOM 0 HA2 GLY A 62 14.695 7.464 -5.446 1.00 12.55 H new ATOM 0 HA3 GLY A 62 15.436 6.209 -4.473 1.00 12.55 H new ATOM 938 N TYR A 63 12.398 5.426 -5.161 1.00 50.40 N ATOM 939 CA TYR A 63 11.511 4.463 -5.832 1.00 52.30 C ATOM 940 C TYR A 63 10.646 5.162 -6.892 1.00 11.22 C ATOM 941 O TYR A 63 10.290 6.331 -6.741 1.00 34.24 O ATOM 942 CB TYR A 63 10.604 3.760 -4.810 1.00 2.11 C ATOM 943 CG TYR A 63 11.344 2.895 -3.804 1.00 1.01 C ATOM 944 CD1 TYR A 63 12.043 3.463 -2.746 1.00 34.03 C ATOM 945 CD2 TYR A 63 11.329 1.509 -3.905 1.00 13.25 C ATOM 946 CE1 TYR A 63 12.701 2.676 -1.818 1.00 63.20 C ATOM 947 CE2 TYR A 63 11.986 0.715 -2.985 1.00 0.14 C ATOM 948 CZ TYR A 63 12.670 1.303 -1.944 1.00 55.45 C ATOM 949 OH TYR A 63 13.315 0.516 -1.016 1.00 42.35 O ATOM 0 H TYR A 63 11.952 5.954 -4.411 1.00 50.40 H new ATOM 0 HA TYR A 63 12.138 3.720 -6.324 1.00 52.30 H new ATOM 0 HB2 TYR A 63 10.032 4.515 -4.270 1.00 2.11 H new ATOM 0 HB3 TYR A 63 9.886 3.139 -5.346 1.00 2.11 H new ATOM 0 HD1 TYR A 63 12.073 4.538 -2.646 1.00 34.03 H new ATOM 0 HD2 TYR A 63 10.793 1.043 -4.719 1.00 13.25 H new ATOM 0 HE1 TYR A 63 13.236 3.134 -0.999 1.00 63.20 H new ATOM 0 HE2 TYR A 63 11.963 -0.360 -3.081 1.00 0.14 H new ATOM 0 HH TYR A 63 13.196 -0.428 -1.249 1.00 42.35 H new ATOM 959 N LYS A 64 10.308 4.446 -7.965 1.00 12.22 N ATOM 960 CA LYS A 64 9.464 5.012 -9.025 1.00 1.03 C ATOM 961 C LYS A 64 8.038 5.285 -8.525 1.00 65.23 C ATOM 962 O LYS A 64 7.477 6.353 -8.780 1.00 23.53 O ATOM 963 CB LYS A 64 9.430 4.084 -10.247 1.00 2.24 C ATOM 964 CG LYS A 64 10.789 3.905 -10.925 1.00 1.05 C ATOM 965 CD LYS A 64 11.415 5.239 -11.335 1.00 32.34 C ATOM 966 CE LYS A 64 10.548 5.997 -12.337 1.00 32.13 C ATOM 967 NZ LYS A 64 10.353 5.237 -13.599 1.00 43.43 N ATOM 0 H LYS A 64 10.601 3.482 -8.125 1.00 12.22 H new ATOM 0 HA LYS A 64 9.905 5.964 -9.320 1.00 1.03 H new ATOM 0 HB2 LYS A 64 9.057 3.107 -9.939 1.00 2.24 H new ATOM 0 HB3 LYS A 64 8.722 4.482 -10.974 1.00 2.24 H new ATOM 0 HG2 LYS A 64 11.464 3.383 -10.247 1.00 1.05 H new ATOM 0 HG3 LYS A 64 10.672 3.275 -11.807 1.00 1.05 H new ATOM 0 HD2 LYS A 64 11.567 5.855 -10.449 1.00 32.34 H new ATOM 0 HD3 LYS A 64 12.398 5.059 -11.770 1.00 32.34 H new ATOM 0 HE2 LYS A 64 9.577 6.208 -11.888 1.00 32.13 H new ATOM 0 HE3 LYS A 64 11.011 6.958 -12.561 1.00 32.13 H new ATOM 0 HZ1 LYS A 64 9.891 5.847 -14.304 1.00 43.43 H new ATOM 0 HZ2 LYS A 64 11.276 4.926 -13.963 1.00 43.43 H new ATOM 0 HZ3 LYS A 64 9.755 4.406 -13.415 1.00 43.43 H new ATOM 981 N LYS A 65 7.453 4.319 -7.821 1.00 23.14 N ATOM 982 CA LYS A 65 6.128 4.499 -7.219 1.00 41.35 C ATOM 983 C LYS A 65 5.931 3.594 -5.991 1.00 53.01 C ATOM 984 O LYS A 65 6.762 2.732 -5.695 1.00 53.22 O ATOM 985 CB LYS A 65 5.014 4.251 -8.247 1.00 33.24 C ATOM 986 CG LYS A 65 5.006 2.849 -8.849 1.00 50.12 C ATOM 987 CD LYS A 65 3.760 2.612 -9.702 1.00 20.31 C ATOM 988 CE LYS A 65 3.680 3.572 -10.886 1.00 61.52 C ATOM 989 NZ LYS A 65 4.716 3.285 -11.916 1.00 12.55 N ATOM 0 H LYS A 65 7.872 3.404 -7.652 1.00 23.14 H new ATOM 0 HA LYS A 65 6.068 5.535 -6.885 1.00 41.35 H new ATOM 0 HB2 LYS A 65 4.051 4.433 -7.770 1.00 33.24 H new ATOM 0 HB3 LYS A 65 5.113 4.978 -9.053 1.00 33.24 H new ATOM 0 HG2 LYS A 65 5.898 2.709 -9.460 1.00 50.12 H new ATOM 0 HG3 LYS A 65 5.047 2.109 -8.050 1.00 50.12 H new ATOM 0 HD2 LYS A 65 3.763 1.585 -10.068 1.00 20.31 H new ATOM 0 HD3 LYS A 65 2.871 2.727 -9.083 1.00 20.31 H new ATOM 0 HE2 LYS A 65 2.691 3.505 -11.340 1.00 61.52 H new ATOM 0 HE3 LYS A 65 3.798 4.595 -10.530 1.00 61.52 H new ATOM 0 HZ1 LYS A 65 4.601 3.940 -12.716 1.00 12.55 H new ATOM 0 HZ2 LYS A 65 5.662 3.408 -11.501 1.00 12.55 H new ATOM 0 HZ3 LYS A 65 4.610 2.307 -12.252 1.00 12.55 H new ATOM 1003 N LEU A 66 4.815 3.801 -5.292 1.00 60.33 N ATOM 1004 CA LEU A 66 4.517 3.102 -4.032 1.00 73.11 C ATOM 1005 C LEU A 66 4.591 1.569 -4.169 1.00 72.42 C ATOM 1006 O LEU A 66 5.100 0.885 -3.278 1.00 23.24 O ATOM 1007 CB LEU A 66 3.129 3.524 -3.532 1.00 12.31 C ATOM 1008 CG LEU A 66 2.740 3.011 -2.137 1.00 43.22 C ATOM 1009 CD1 LEU A 66 3.713 3.521 -1.076 1.00 33.11 C ATOM 1010 CD2 LEU A 66 1.312 3.425 -1.803 1.00 21.43 C ATOM 0 H LEU A 66 4.089 4.457 -5.579 1.00 60.33 H new ATOM 0 HA LEU A 66 5.281 3.388 -3.309 1.00 73.11 H new ATOM 0 HB2 LEU A 66 3.081 4.613 -3.525 1.00 12.31 H new ATOM 0 HB3 LEU A 66 2.384 3.177 -4.248 1.00 12.31 H new ATOM 0 HG LEU A 66 2.794 1.922 -2.144 1.00 43.22 H new ATOM 0 HD11 LEU A 66 3.415 3.144 -0.098 1.00 33.11 H new ATOM 0 HD12 LEU A 66 4.720 3.173 -1.308 1.00 33.11 H new ATOM 0 HD13 LEU A 66 3.700 4.611 -1.064 1.00 33.11 H new ATOM 0 HD21 LEU A 66 1.048 3.055 -0.812 1.00 21.43 H new ATOM 0 HD22 LEU A 66 1.236 4.512 -1.817 1.00 21.43 H new ATOM 0 HD23 LEU A 66 0.629 3.004 -2.541 1.00 21.43 H new ATOM 1022 N SER A 67 4.090 1.037 -5.282 1.00 42.02 N ATOM 1023 CA SER A 67 4.113 -0.417 -5.534 1.00 73.43 C ATOM 1024 C SER A 67 5.522 -1.007 -5.372 1.00 34.21 C ATOM 1025 O SER A 67 5.707 -2.034 -4.713 1.00 41.31 O ATOM 1026 CB SER A 67 3.602 -0.724 -6.947 1.00 34.04 C ATOM 1027 OG SER A 67 4.451 -0.169 -7.938 1.00 64.04 O ATOM 0 H SER A 67 3.661 1.584 -6.028 1.00 42.02 H new ATOM 0 HA SER A 67 3.460 -0.878 -4.793 1.00 73.43 H new ATOM 0 HB2 SER A 67 3.537 -1.803 -7.085 1.00 34.04 H new ATOM 0 HB3 SER A 67 2.594 -0.326 -7.065 1.00 34.04 H new ATOM 0 HG SER A 67 4.099 -0.383 -8.827 1.00 64.04 H new ATOM 1033 N ASP A 68 6.509 -0.348 -5.976 1.00 51.30 N ATOM 1034 CA ASP A 68 7.904 -0.796 -5.910 1.00 34.22 C ATOM 1035 C ASP A 68 8.459 -0.695 -4.474 1.00 54.14 C ATOM 1036 O ASP A 68 9.326 -1.474 -4.074 1.00 54.12 O ATOM 1037 CB ASP A 68 8.758 0.032 -6.885 1.00 5.24 C ATOM 1038 CG ASP A 68 10.171 -0.504 -7.043 1.00 44.35 C ATOM 1039 OD1 ASP A 68 10.328 -1.673 -7.448 1.00 64.10 O ATOM 1040 OD2 ASP A 68 11.136 0.246 -6.783 1.00 12.31 O ATOM 0 H ASP A 68 6.370 0.503 -6.520 1.00 51.30 H new ATOM 0 HA ASP A 68 7.946 -1.846 -6.201 1.00 34.22 H new ATOM 0 HB2 ASP A 68 8.271 0.049 -7.860 1.00 5.24 H new ATOM 0 HB3 ASP A 68 8.804 1.063 -6.533 1.00 5.24 H new ATOM 1045 N LEU A 69 7.937 0.262 -3.708 1.00 55.33 N ATOM 1046 CA LEU A 69 8.359 0.472 -2.317 1.00 3.32 C ATOM 1047 C LEU A 69 7.806 -0.615 -1.379 1.00 15.24 C ATOM 1048 O LEU A 69 8.563 -1.307 -0.693 1.00 12.23 O ATOM 1049 CB LEU A 69 7.895 1.855 -1.834 1.00 63.31 C ATOM 1050 CG LEU A 69 8.176 2.166 -0.354 1.00 5.33 C ATOM 1051 CD1 LEU A 69 9.676 2.177 -0.077 1.00 1.04 C ATOM 1052 CD2 LEU A 69 7.536 3.493 0.053 1.00 75.34 C ATOM 0 H LEU A 69 7.216 0.910 -4.027 1.00 55.33 H new ATOM 0 HA LEU A 69 9.447 0.414 -2.290 1.00 3.32 H new ATOM 0 HB2 LEU A 69 8.379 2.616 -2.446 1.00 63.31 H new ATOM 0 HB3 LEU A 69 6.822 1.941 -2.008 1.00 63.31 H new ATOM 0 HG LEU A 69 7.728 1.376 0.249 1.00 5.33 H new ATOM 0 HD11 LEU A 69 9.850 2.399 0.976 1.00 1.04 H new ATOM 0 HD12 LEU A 69 10.097 1.201 -0.316 1.00 1.04 H new ATOM 0 HD13 LEU A 69 10.154 2.939 -0.692 1.00 1.04 H new ATOM 0 HD21 LEU A 69 7.748 3.692 1.103 1.00 75.34 H new ATOM 0 HD22 LEU A 69 7.945 4.297 -0.559 1.00 75.34 H new ATOM 0 HD23 LEU A 69 6.458 3.437 -0.095 1.00 75.34 H new ATOM 1064 N VAL A 70 6.482 -0.756 -1.357 1.00 73.45 N ATOM 1065 CA VAL A 70 5.803 -1.671 -0.429 1.00 64.14 C ATOM 1066 C VAL A 70 6.331 -3.113 -0.530 1.00 72.44 C ATOM 1067 O VAL A 70 6.664 -3.732 0.481 1.00 55.25 O ATOM 1068 CB VAL A 70 4.272 -1.677 -0.663 1.00 71.25 C ATOM 1069 CG1 VAL A 70 3.574 -2.603 0.330 1.00 3.14 C ATOM 1070 CG2 VAL A 70 3.704 -0.261 -0.567 1.00 74.15 C ATOM 0 H VAL A 70 5.850 -0.246 -1.974 1.00 73.45 H new ATOM 0 HA VAL A 70 6.019 -1.296 0.571 1.00 64.14 H new ATOM 0 HB VAL A 70 4.086 -2.054 -1.669 1.00 71.25 H new ATOM 0 HG11 VAL A 70 2.500 -2.590 0.146 1.00 3.14 H new ATOM 0 HG12 VAL A 70 3.951 -3.618 0.208 1.00 3.14 H new ATOM 0 HG13 VAL A 70 3.772 -2.262 1.346 1.00 3.14 H new ATOM 0 HG21 VAL A 70 2.627 -0.289 -0.735 1.00 74.15 H new ATOM 0 HG22 VAL A 70 3.907 0.146 0.424 1.00 74.15 H new ATOM 0 HG23 VAL A 70 4.172 0.371 -1.322 1.00 74.15 H new ATOM 1080 N LYS A 71 6.421 -3.640 -1.751 1.00 51.30 N ATOM 1081 CA LYS A 71 6.881 -5.022 -1.963 1.00 15.30 C ATOM 1082 C LYS A 71 8.331 -5.227 -1.490 1.00 12.41 C ATOM 1083 O LYS A 71 8.754 -6.354 -1.225 1.00 64.34 O ATOM 1084 CB LYS A 71 6.767 -5.411 -3.443 1.00 52.12 C ATOM 1085 CG LYS A 71 7.664 -4.592 -4.367 1.00 3.23 C ATOM 1086 CD LYS A 71 7.697 -5.170 -5.778 1.00 33.55 C ATOM 1087 CE LYS A 71 8.630 -4.375 -6.684 1.00 33.12 C ATOM 1088 NZ LYS A 71 8.909 -5.079 -7.962 1.00 45.42 N ATOM 0 H LYS A 71 6.184 -3.138 -2.607 1.00 51.30 H new ATOM 0 HA LYS A 71 6.234 -5.665 -1.366 1.00 15.30 H new ATOM 0 HB2 LYS A 71 7.017 -6.466 -3.552 1.00 52.12 H new ATOM 0 HB3 LYS A 71 5.731 -5.294 -3.761 1.00 52.12 H new ATOM 0 HG2 LYS A 71 7.306 -3.563 -4.403 1.00 3.23 H new ATOM 0 HG3 LYS A 71 8.675 -4.564 -3.961 1.00 3.23 H new ATOM 0 HD2 LYS A 71 8.023 -6.209 -5.739 1.00 33.55 H new ATOM 0 HD3 LYS A 71 6.691 -5.167 -6.197 1.00 33.55 H new ATOM 0 HE2 LYS A 71 8.185 -3.403 -6.897 1.00 33.12 H new ATOM 0 HE3 LYS A 71 9.568 -4.189 -6.162 1.00 33.12 H new ATOM 0 HZ1 LYS A 71 9.547 -4.501 -8.545 1.00 45.42 H new ATOM 0 HZ2 LYS A 71 9.358 -5.996 -7.763 1.00 45.42 H new ATOM 0 HZ3 LYS A 71 8.018 -5.234 -8.475 1.00 45.42 H new ATOM 1102 N ALA A 72 9.087 -4.135 -1.396 1.00 5.31 N ATOM 1103 CA ALA A 72 10.484 -4.188 -0.943 1.00 11.33 C ATOM 1104 C ALA A 72 10.592 -4.078 0.589 1.00 53.22 C ATOM 1105 O ALA A 72 11.679 -4.207 1.157 1.00 4.51 O ATOM 1106 CB ALA A 72 11.287 -3.074 -1.610 1.00 32.55 C ATOM 0 H ALA A 72 8.758 -3.198 -1.627 1.00 5.31 H new ATOM 0 HA ALA A 72 10.894 -5.156 -1.232 1.00 11.33 H new ATOM 0 HB1 ALA A 72 12.322 -3.118 -1.271 1.00 32.55 H new ATOM 0 HB2 ALA A 72 11.254 -3.200 -2.692 1.00 32.55 H new ATOM 0 HB3 ALA A 72 10.859 -2.108 -1.344 1.00 32.55 H new ATOM 1112 N ARG A 73 9.457 -3.833 1.247 1.00 42.53 N ATOM 1113 CA ARG A 73 9.406 -3.675 2.709 1.00 5.33 C ATOM 1114 C ARG A 73 8.537 -4.773 3.353 1.00 54.44 C ATOM 1115 O ARG A 73 7.667 -4.496 4.180 1.00 50.15 O ATOM 1116 CB ARG A 73 8.859 -2.277 3.050 1.00 61.44 C ATOM 1117 CG ARG A 73 9.663 -1.139 2.417 1.00 32.41 C ATOM 1118 CD ARG A 73 11.103 -1.113 2.926 1.00 22.41 C ATOM 1119 NE ARG A 73 11.982 -0.303 2.077 1.00 63.31 N ATOM 1120 CZ ARG A 73 13.232 -0.032 2.363 1.00 61.31 C ATOM 1121 NH1 ARG A 73 13.751 -0.412 3.486 1.00 12.22 N ATOM 1122 NH2 ARG A 73 13.958 0.630 1.523 1.00 22.24 N ATOM 0 H ARG A 73 8.551 -3.738 0.789 1.00 42.53 H new ATOM 0 HA ARG A 73 10.414 -3.776 3.113 1.00 5.33 H new ATOM 0 HB2 ARG A 73 7.823 -2.209 2.717 1.00 61.44 H new ATOM 0 HB3 ARG A 73 8.855 -2.151 4.133 1.00 61.44 H new ATOM 0 HG2 ARG A 73 9.662 -1.252 1.333 1.00 32.41 H new ATOM 0 HG3 ARG A 73 9.182 -0.186 2.638 1.00 32.41 H new ATOM 0 HD2 ARG A 73 11.119 -0.718 3.942 1.00 22.41 H new ATOM 0 HD3 ARG A 73 11.487 -2.132 2.974 1.00 22.41 H new ATOM 0 HE ARG A 73 11.597 0.073 1.210 1.00 63.31 H new ATOM 0 HH11 ARG A 73 13.186 -0.929 4.160 1.00 12.22 H new ATOM 0 HH12 ARG A 73 14.725 -0.195 3.697 1.00 12.22 H new ATOM 0 HH21 ARG A 73 13.558 0.941 0.638 1.00 22.24 H new ATOM 0 HH22 ARG A 73 14.931 0.841 1.745 1.00 22.24 H new ATOM 1136 N THR A 74 8.814 -6.025 2.989 1.00 55.24 N ATOM 1137 CA THR A 74 8.024 -7.189 3.440 1.00 40.34 C ATOM 1138 C THR A 74 7.972 -7.337 4.969 1.00 63.12 C ATOM 1139 O THR A 74 7.054 -7.960 5.508 1.00 30.00 O ATOM 1140 CB THR A 74 8.589 -8.503 2.853 1.00 44.33 C ATOM 1141 OG1 THR A 74 9.973 -8.652 3.222 1.00 3.15 O ATOM 1142 CG2 THR A 74 8.461 -8.522 1.334 1.00 51.15 C ATOM 0 H THR A 74 9.590 -6.269 2.374 1.00 55.24 H new ATOM 0 HA THR A 74 7.013 -7.004 3.078 1.00 40.34 H new ATOM 0 HB THR A 74 8.011 -9.332 3.260 1.00 44.33 H new ATOM 0 HG1 THR A 74 10.323 -9.487 2.848 1.00 3.15 H new ATOM 0 HG21 THR A 74 8.866 -9.457 0.946 1.00 51.15 H new ATOM 0 HG22 THR A 74 7.410 -8.439 1.056 1.00 51.15 H new ATOM 0 HG23 THR A 74 9.015 -7.684 0.912 1.00 51.15 H new ATOM 1150 N ASP A 75 8.966 -6.792 5.665 1.00 12.45 N ATOM 1151 CA ASP A 75 9.016 -6.862 7.131 1.00 71.22 C ATOM 1152 C ASP A 75 8.023 -5.875 7.777 1.00 75.20 C ATOM 1153 O ASP A 75 7.591 -6.063 8.916 1.00 44.11 O ATOM 1154 CB ASP A 75 10.446 -6.584 7.604 1.00 41.35 C ATOM 1155 CG ASP A 75 10.602 -6.703 9.110 1.00 25.14 C ATOM 1156 OD1 ASP A 75 10.484 -7.829 9.639 1.00 23.21 O ATOM 1157 OD2 ASP A 75 10.849 -5.674 9.773 1.00 21.13 O ATOM 0 H ASP A 75 9.750 -6.296 5.242 1.00 12.45 H new ATOM 0 HA ASP A 75 8.721 -7.864 7.443 1.00 71.22 H new ATOM 0 HB2 ASP A 75 11.127 -7.282 7.117 1.00 41.35 H new ATOM 0 HB3 ASP A 75 10.739 -5.582 7.291 1.00 41.35 H new ATOM 1162 N LEU A 76 7.667 -4.830 7.036 1.00 74.41 N ATOM 1163 CA LEU A 76 6.702 -3.826 7.502 1.00 63.42 C ATOM 1164 C LEU A 76 5.292 -4.103 6.957 1.00 22.02 C ATOM 1165 O LEU A 76 4.300 -3.970 7.675 1.00 73.21 O ATOM 1166 CB LEU A 76 7.149 -2.420 7.067 1.00 71.54 C ATOM 1167 CG LEU A 76 8.461 -1.916 7.699 1.00 11.23 C ATOM 1168 CD1 LEU A 76 8.886 -0.586 7.075 1.00 60.42 C ATOM 1169 CD2 LEU A 76 8.311 -1.777 9.215 1.00 64.21 C ATOM 0 H LEU A 76 8.033 -4.651 6.101 1.00 74.41 H new ATOM 0 HA LEU A 76 6.667 -3.883 8.590 1.00 63.42 H new ATOM 0 HB2 LEU A 76 7.262 -2.413 5.983 1.00 71.54 H new ATOM 0 HB3 LEU A 76 6.355 -1.714 7.309 1.00 71.54 H new ATOM 0 HG LEU A 76 9.240 -2.651 7.498 1.00 11.23 H new ATOM 0 HD11 LEU A 76 9.814 -0.248 7.536 1.00 60.42 H new ATOM 0 HD12 LEU A 76 9.040 -0.719 6.004 1.00 60.42 H new ATOM 0 HD13 LEU A 76 8.107 0.159 7.240 1.00 60.42 H new ATOM 0 HD21 LEU A 76 9.248 -1.420 9.642 1.00 64.21 H new ATOM 0 HD22 LEU A 76 7.516 -1.065 9.438 1.00 64.21 H new ATOM 0 HD23 LEU A 76 8.062 -2.746 9.646 1.00 64.21 H new ATOM 1181 N PHE A 77 5.210 -4.488 5.683 1.00 75.03 N ATOM 1182 CA PHE A 77 3.917 -4.680 5.013 1.00 11.50 C ATOM 1183 C PHE A 77 3.777 -6.102 4.444 1.00 13.33 C ATOM 1184 O PHE A 77 4.725 -6.659 3.891 1.00 14.03 O ATOM 1185 CB PHE A 77 3.760 -3.657 3.875 1.00 53.14 C ATOM 1186 CG PHE A 77 4.049 -2.231 4.289 1.00 33.43 C ATOM 1187 CD1 PHE A 77 3.343 -1.638 5.324 1.00 75.34 C ATOM 1188 CD2 PHE A 77 5.035 -1.486 3.646 1.00 23.30 C ATOM 1189 CE1 PHE A 77 3.613 -0.339 5.712 1.00 35.23 C ATOM 1190 CE2 PHE A 77 5.304 -0.188 4.030 1.00 23.10 C ATOM 1191 CZ PHE A 77 4.595 0.385 5.065 1.00 11.32 C ATOM 0 H PHE A 77 6.021 -4.674 5.092 1.00 75.03 H new ATOM 0 HA PHE A 77 3.134 -4.533 5.757 1.00 11.50 H new ATOM 0 HB2 PHE A 77 4.429 -3.931 3.059 1.00 53.14 H new ATOM 0 HB3 PHE A 77 2.743 -3.713 3.487 1.00 53.14 H new ATOM 0 HD1 PHE A 77 2.573 -2.198 5.834 1.00 75.34 H new ATOM 0 HD2 PHE A 77 5.596 -1.930 2.837 1.00 23.30 H new ATOM 0 HE1 PHE A 77 3.056 0.110 6.521 1.00 35.23 H new ATOM 0 HE2 PHE A 77 6.069 0.379 3.520 1.00 23.10 H new ATOM 0 HZ PHE A 77 4.808 1.399 5.369 1.00 11.32 H new ATOM 1201 N VAL A 78 2.588 -6.686 4.585 1.00 32.51 N ATOM 1202 CA VAL A 78 2.288 -7.995 3.991 1.00 41.14 C ATOM 1203 C VAL A 78 1.762 -7.823 2.554 1.00 53.13 C ATOM 1204 O VAL A 78 0.704 -7.224 2.343 1.00 72.24 O ATOM 1205 CB VAL A 78 1.241 -8.768 4.835 1.00 0.32 C ATOM 1206 CG1 VAL A 78 1.014 -10.171 4.274 1.00 64.33 C ATOM 1207 CG2 VAL A 78 1.663 -8.831 6.305 1.00 53.23 C ATOM 0 H VAL A 78 1.813 -6.275 5.106 1.00 32.51 H new ATOM 0 HA VAL A 78 3.214 -8.570 3.973 1.00 41.14 H new ATOM 0 HB VAL A 78 0.297 -8.226 4.777 1.00 0.32 H new ATOM 0 HG11 VAL A 78 0.276 -10.692 4.884 1.00 64.33 H new ATOM 0 HG12 VAL A 78 0.652 -10.099 3.249 1.00 64.33 H new ATOM 0 HG13 VAL A 78 1.953 -10.725 4.289 1.00 64.33 H new ATOM 0 HG21 VAL A 78 0.913 -9.378 6.876 1.00 53.23 H new ATOM 0 HG22 VAL A 78 2.623 -9.340 6.386 1.00 53.23 H new ATOM 0 HG23 VAL A 78 1.754 -7.820 6.701 1.00 53.23 H new ATOM 1217 N THR A 79 2.498 -8.349 1.570 1.00 70.40 N ATOM 1218 CA THR A 79 2.169 -8.129 0.148 1.00 43.14 C ATOM 1219 C THR A 79 1.796 -9.431 -0.575 1.00 42.31 C ATOM 1220 O THR A 79 2.547 -10.407 -0.532 1.00 21.25 O ATOM 1221 CB THR A 79 3.376 -7.497 -0.600 1.00 64.31 C ATOM 1222 OG1 THR A 79 4.478 -8.427 -0.658 1.00 41.44 O ATOM 1223 CG2 THR A 79 3.837 -6.214 0.090 1.00 32.43 C ATOM 0 H THR A 79 3.323 -8.928 1.725 1.00 70.40 H new ATOM 0 HA THR A 79 1.310 -7.458 0.135 1.00 43.14 H new ATOM 0 HB THR A 79 3.049 -7.257 -1.612 1.00 64.31 H new ATOM 0 HG1 THR A 79 4.131 -9.342 -0.711 1.00 41.44 H new ATOM 0 HG21 THR A 79 4.682 -5.792 -0.453 1.00 32.43 H new ATOM 0 HG22 THR A 79 3.019 -5.494 0.104 1.00 32.43 H new ATOM 0 HG23 THR A 79 4.139 -6.439 1.113 1.00 32.43 H new ATOM 1231 N GLU A 80 0.651 -9.428 -1.266 1.00 71.13 N ATOM 1232 CA GLU A 80 0.250 -10.549 -2.139 1.00 73.51 C ATOM 1233 C GLU A 80 -0.607 -10.061 -3.319 1.00 75.23 C ATOM 1234 O GLU A 80 -1.468 -9.195 -3.161 1.00 63.44 O ATOM 1235 CB GLU A 80 -0.529 -11.640 -1.369 1.00 4.23 C ATOM 1236 CG GLU A 80 0.318 -12.460 -0.397 1.00 14.05 C ATOM 1237 CD GLU A 80 -0.422 -13.680 0.135 1.00 4.04 C ATOM 1238 OE1 GLU A 80 -1.216 -13.542 1.087 1.00 42.42 O ATOM 1239 OE2 GLU A 80 -0.228 -14.784 -0.417 1.00 54.14 O ATOM 0 H GLU A 80 -0.020 -8.661 -1.241 1.00 71.13 H new ATOM 0 HA GLU A 80 1.175 -10.984 -2.517 1.00 73.51 H new ATOM 0 HB2 GLU A 80 -1.339 -11.166 -0.814 1.00 4.23 H new ATOM 0 HB3 GLU A 80 -0.989 -12.316 -2.089 1.00 4.23 H new ATOM 0 HG2 GLU A 80 1.231 -12.783 -0.898 1.00 14.05 H new ATOM 0 HG3 GLU A 80 0.620 -11.829 0.439 1.00 14.05 H new ATOM 1246 N GLU A 81 -0.378 -10.630 -4.501 1.00 50.14 N ATOM 1247 CA GLU A 81 -1.172 -10.288 -5.686 1.00 13.11 C ATOM 1248 C GLU A 81 -2.430 -11.162 -5.769 1.00 1.32 C ATOM 1249 O GLU A 81 -2.347 -12.382 -5.928 1.00 53.04 O ATOM 1250 CB GLU A 81 -0.346 -10.461 -6.970 1.00 22.22 C ATOM 1251 CG GLU A 81 0.847 -9.518 -7.081 1.00 64.14 C ATOM 1252 CD GLU A 81 1.609 -9.693 -8.388 1.00 40.24 C ATOM 1253 OE1 GLU A 81 2.520 -10.551 -8.439 1.00 51.24 O ATOM 1254 OE2 GLU A 81 1.290 -8.989 -9.371 1.00 65.25 O ATOM 0 H GLU A 81 0.347 -11.328 -4.666 1.00 50.14 H new ATOM 0 HA GLU A 81 -1.467 -9.243 -5.593 1.00 13.11 H new ATOM 0 HB2 GLU A 81 0.012 -11.489 -7.022 1.00 22.22 H new ATOM 0 HB3 GLU A 81 -0.997 -10.307 -7.830 1.00 22.22 H new ATOM 0 HG2 GLU A 81 0.500 -8.488 -7.001 1.00 64.14 H new ATOM 0 HG3 GLU A 81 1.523 -9.692 -6.244 1.00 64.14 H new ATOM 1261 N ARG A 82 -3.595 -10.534 -5.673 1.00 43.45 N ATOM 1262 CA ARG A 82 -4.869 -11.254 -5.746 1.00 41.23 C ATOM 1263 C ARG A 82 -5.670 -10.794 -6.970 1.00 51.41 C ATOM 1264 O ARG A 82 -5.756 -9.601 -7.252 1.00 24.11 O ATOM 1265 CB ARG A 82 -5.691 -11.034 -4.465 1.00 60.14 C ATOM 1266 CG ARG A 82 -4.983 -11.473 -3.186 1.00 32.32 C ATOM 1267 CD ARG A 82 -4.630 -12.960 -3.210 1.00 50.44 C ATOM 1268 NE ARG A 82 -5.813 -13.809 -3.375 1.00 2.05 N ATOM 1269 CZ ARG A 82 -5.769 -15.109 -3.516 1.00 21.40 C ATOM 1270 NH1 ARG A 82 -4.639 -15.741 -3.484 1.00 72.12 N ATOM 1271 NH2 ARG A 82 -6.864 -15.779 -3.679 1.00 71.52 N ATOM 0 H ARG A 82 -3.689 -9.526 -5.544 1.00 43.45 H new ATOM 0 HA ARG A 82 -4.656 -12.319 -5.842 1.00 41.23 H new ATOM 0 HB2 ARG A 82 -5.941 -9.976 -4.384 1.00 60.14 H new ATOM 0 HB3 ARG A 82 -6.631 -11.578 -4.552 1.00 60.14 H new ATOM 0 HG2 ARG A 82 -4.074 -10.886 -3.055 1.00 32.32 H new ATOM 0 HG3 ARG A 82 -5.622 -11.266 -2.328 1.00 32.32 H new ATOM 0 HD2 ARG A 82 -3.931 -13.152 -4.024 1.00 50.44 H new ATOM 0 HD3 ARG A 82 -4.121 -13.226 -2.283 1.00 50.44 H new ATOM 0 HE ARG A 82 -6.728 -13.358 -3.380 1.00 2.05 H new ATOM 0 HH11 ARG A 82 -3.770 -15.225 -3.348 1.00 72.12 H new ATOM 0 HH12 ARG A 82 -4.618 -16.755 -3.595 1.00 72.12 H new ATOM 0 HH21 ARG A 82 -7.761 -15.294 -3.698 1.00 71.52 H new ATOM 0 HH22 ARG A 82 -6.830 -16.792 -3.789 1.00 71.52 H new ATOM 1285 N GLN A 83 -6.256 -11.740 -7.694 1.00 2.13 N ATOM 1286 CA GLN A 83 -7.024 -11.413 -8.898 1.00 20.03 C ATOM 1287 C GLN A 83 -8.417 -10.889 -8.532 1.00 31.33 C ATOM 1288 O GLN A 83 -9.083 -11.429 -7.649 1.00 61.25 O ATOM 1289 CB GLN A 83 -7.147 -12.644 -9.807 1.00 22.24 C ATOM 1290 CG GLN A 83 -7.821 -12.359 -11.148 1.00 23.50 C ATOM 1291 CD GLN A 83 -8.042 -13.613 -11.978 1.00 23.23 C ATOM 1292 OE1 GLN A 83 -8.230 -14.701 -11.444 1.00 33.45 O ATOM 1293 NE2 GLN A 83 -8.023 -13.474 -13.291 1.00 72.34 N ATOM 0 H GLN A 83 -6.217 -12.735 -7.474 1.00 2.13 H new ATOM 0 HA GLN A 83 -6.491 -10.629 -9.436 1.00 20.03 H new ATOM 0 HB2 GLN A 83 -6.152 -13.049 -9.991 1.00 22.24 H new ATOM 0 HB3 GLN A 83 -7.713 -13.415 -9.284 1.00 22.24 H new ATOM 0 HG2 GLN A 83 -8.781 -11.873 -10.971 1.00 23.50 H new ATOM 0 HG3 GLN A 83 -7.209 -11.658 -11.715 1.00 23.50 H new ATOM 0 HE21 GLN A 83 -7.864 -12.555 -13.704 1.00 72.34 H new ATOM 0 HE22 GLN A 83 -8.167 -14.285 -13.892 1.00 72.34 H new ATOM 1302 N VAL A 84 -8.854 -9.842 -9.226 1.00 52.50 N ATOM 1303 CA VAL A 84 -10.135 -9.201 -8.928 1.00 2.20 C ATOM 1304 C VAL A 84 -11.284 -9.880 -9.697 1.00 1.01 C ATOM 1305 O VAL A 84 -11.268 -9.933 -10.931 1.00 74.01 O ATOM 1306 CB VAL A 84 -10.093 -7.692 -9.288 1.00 12.51 C ATOM 1307 CG1 VAL A 84 -11.388 -6.991 -8.881 1.00 12.31 C ATOM 1308 CG2 VAL A 84 -8.883 -7.015 -8.642 1.00 41.13 C ATOM 0 H VAL A 84 -8.341 -9.418 -9.999 1.00 52.50 H new ATOM 0 HA VAL A 84 -10.314 -9.308 -7.858 1.00 2.20 H new ATOM 0 HB VAL A 84 -9.995 -7.609 -10.370 1.00 12.51 H new ATOM 0 HG11 VAL A 84 -11.329 -5.935 -9.146 1.00 12.31 H new ATOM 0 HG12 VAL A 84 -12.229 -7.449 -9.402 1.00 12.31 H new ATOM 0 HG13 VAL A 84 -11.531 -7.088 -7.805 1.00 12.31 H new ATOM 0 HG21 VAL A 84 -8.873 -5.958 -8.907 1.00 41.13 H new ATOM 0 HG22 VAL A 84 -8.945 -7.117 -7.559 1.00 41.13 H new ATOM 0 HG23 VAL A 84 -7.968 -7.487 -8.999 1.00 41.13 H new ATOM 1318 N PRO A 85 -12.295 -10.417 -8.981 1.00 23.21 N ATOM 1319 CA PRO A 85 -13.438 -11.112 -9.609 1.00 10.21 C ATOM 1320 C PRO A 85 -14.216 -10.204 -10.577 1.00 64.33 C ATOM 1321 O PRO A 85 -14.600 -9.086 -10.226 1.00 34.20 O ATOM 1322 CB PRO A 85 -14.317 -11.523 -8.412 1.00 11.40 C ATOM 1323 CG PRO A 85 -13.884 -10.634 -7.292 1.00 54.31 C ATOM 1324 CD PRO A 85 -12.416 -10.386 -7.512 1.00 62.23 C ATOM 0 HA PRO A 85 -13.116 -11.957 -10.218 1.00 10.21 H new ATOM 0 HB2 PRO A 85 -15.376 -11.390 -8.635 1.00 11.40 H new ATOM 0 HB3 PRO A 85 -14.174 -12.574 -8.160 1.00 11.40 H new ATOM 0 HG2 PRO A 85 -14.444 -9.699 -7.296 1.00 54.31 H new ATOM 0 HG3 PRO A 85 -14.061 -11.107 -6.326 1.00 54.31 H new ATOM 0 HD2 PRO A 85 -12.102 -9.427 -7.101 1.00 62.23 H new ATOM 0 HD3 PRO A 85 -11.801 -11.152 -7.039 1.00 62.23 H new ATOM 1332 N GLY A 86 -14.437 -10.689 -11.797 1.00 54.50 N ATOM 1333 CA GLY A 86 -15.094 -9.883 -12.825 1.00 41.45 C ATOM 1334 C GLY A 86 -14.120 -8.972 -13.568 1.00 40.44 C ATOM 1335 O GLY A 86 -14.532 -8.063 -14.293 1.00 54.30 O ATOM 0 H GLY A 86 -14.174 -11.628 -12.097 1.00 54.50 H new ATOM 0 HA2 GLY A 86 -15.586 -10.543 -13.540 1.00 41.45 H new ATOM 0 HA3 GLY A 86 -15.873 -9.276 -12.363 1.00 41.45 H new ATOM 1339 N SER A 87 -12.822 -9.216 -13.385 1.00 23.00 N ATOM 1340 CA SER A 87 -11.769 -8.420 -14.036 1.00 3.11 C ATOM 1341 C SER A 87 -10.636 -9.321 -14.553 1.00 34.34 C ATOM 1342 O SER A 87 -10.452 -10.443 -14.077 1.00 4.11 O ATOM 1343 CB SER A 87 -11.206 -7.385 -13.050 1.00 12.41 C ATOM 1344 OG SER A 87 -12.236 -6.548 -12.541 1.00 65.41 O ATOM 0 H SER A 87 -12.468 -9.963 -12.788 1.00 23.00 H new ATOM 0 HA SER A 87 -12.211 -7.904 -14.888 1.00 3.11 H new ATOM 0 HB2 SER A 87 -10.709 -7.897 -12.226 1.00 12.41 H new ATOM 0 HB3 SER A 87 -10.452 -6.776 -13.549 1.00 12.41 H new ATOM 0 HG SER A 87 -11.851 -5.900 -11.915 1.00 65.41 H new ATOM 1350 N THR A 88 -9.873 -8.823 -15.523 1.00 43.32 N ATOM 1351 CA THR A 88 -8.801 -9.616 -16.153 1.00 30.24 C ATOM 1352 C THR A 88 -7.459 -9.476 -15.421 1.00 4.54 C ATOM 1353 O THR A 88 -6.640 -10.401 -15.418 1.00 32.33 O ATOM 1354 CB THR A 88 -8.601 -9.230 -17.642 1.00 65.30 C ATOM 1355 OG1 THR A 88 -7.515 -9.984 -18.208 1.00 3.14 O ATOM 1356 CG2 THR A 88 -8.323 -7.739 -17.803 1.00 33.03 C ATOM 0 H THR A 88 -9.970 -7.878 -15.894 1.00 43.32 H new ATOM 0 HA THR A 88 -9.128 -10.654 -16.087 1.00 30.24 H new ATOM 0 HB THR A 88 -9.526 -9.464 -18.169 1.00 65.30 H new ATOM 0 HG1 THR A 88 -7.398 -9.734 -19.148 1.00 3.14 H new ATOM 0 HG21 THR A 88 -8.188 -7.506 -18.859 1.00 33.03 H new ATOM 0 HG22 THR A 88 -9.164 -7.168 -17.410 1.00 33.03 H new ATOM 0 HG23 THR A 88 -7.418 -7.476 -17.255 1.00 33.03 H new ATOM 1364 N GLN A 89 -7.234 -8.323 -14.801 1.00 11.54 N ATOM 1365 CA GLN A 89 -5.960 -8.044 -14.123 1.00 65.40 C ATOM 1366 C GLN A 89 -5.960 -8.535 -12.662 1.00 65.51 C ATOM 1367 O GLN A 89 -7.010 -8.641 -12.024 1.00 21.45 O ATOM 1368 CB GLN A 89 -5.675 -6.535 -14.156 1.00 0.24 C ATOM 1369 CG GLN A 89 -6.646 -5.706 -13.320 1.00 14.43 C ATOM 1370 CD GLN A 89 -6.417 -4.209 -13.457 1.00 25.25 C ATOM 1371 OE1 GLN A 89 -5.632 -3.614 -12.729 1.00 21.20 O ATOM 1372 NE2 GLN A 89 -7.114 -3.589 -14.385 1.00 4.22 N ATOM 0 H GLN A 89 -7.912 -7.563 -14.750 1.00 11.54 H new ATOM 0 HA GLN A 89 -5.180 -8.587 -14.656 1.00 65.40 H new ATOM 0 HB2 GLN A 89 -4.660 -6.359 -13.799 1.00 0.24 H new ATOM 0 HB3 GLN A 89 -5.714 -6.190 -15.189 1.00 0.24 H new ATOM 0 HG2 GLN A 89 -7.667 -5.941 -13.620 1.00 14.43 H new ATOM 0 HG3 GLN A 89 -6.548 -5.989 -12.272 1.00 14.43 H new ATOM 0 HE21 GLN A 89 -7.759 -4.115 -14.975 1.00 4.22 H new ATOM 0 HE22 GLN A 89 -7.009 -2.583 -14.515 1.00 4.22 H new ATOM 1381 N LYS A 90 -4.773 -8.844 -12.142 1.00 31.22 N ATOM 1382 CA LYS A 90 -4.612 -9.141 -10.716 1.00 44.32 C ATOM 1383 C LYS A 90 -4.077 -7.906 -9.973 1.00 12.52 C ATOM 1384 O LYS A 90 -3.162 -7.227 -10.449 1.00 62.52 O ATOM 1385 CB LYS A 90 -3.682 -10.350 -10.493 1.00 63.12 C ATOM 1386 CG LYS A 90 -2.286 -10.197 -11.095 1.00 74.53 C ATOM 1387 CD LYS A 90 -1.341 -11.318 -10.651 1.00 73.03 C ATOM 1388 CE LYS A 90 -1.844 -12.702 -11.052 1.00 11.01 C ATOM 1389 NZ LYS A 90 -0.917 -13.781 -10.613 1.00 64.21 N ATOM 0 H LYS A 90 -3.910 -8.896 -12.683 1.00 31.22 H new ATOM 0 HA LYS A 90 -5.592 -9.399 -10.314 1.00 44.32 H new ATOM 0 HB2 LYS A 90 -3.584 -10.524 -9.421 1.00 63.12 H new ATOM 0 HB3 LYS A 90 -4.152 -11.237 -10.918 1.00 63.12 H new ATOM 0 HG2 LYS A 90 -2.359 -10.194 -12.183 1.00 74.53 H new ATOM 0 HG3 LYS A 90 -1.869 -9.234 -10.801 1.00 74.53 H new ATOM 0 HD2 LYS A 90 -0.356 -11.153 -11.088 1.00 73.03 H new ATOM 0 HD3 LYS A 90 -1.220 -11.279 -9.568 1.00 73.03 H new ATOM 0 HE2 LYS A 90 -2.829 -12.870 -10.616 1.00 11.01 H new ATOM 0 HE3 LYS A 90 -1.963 -12.745 -12.135 1.00 11.01 H new ATOM 0 HZ1 LYS A 90 -1.296 -14.704 -10.905 1.00 64.21 H new ATOM 0 HZ2 LYS A 90 0.016 -13.636 -11.049 1.00 64.21 H new ATOM 0 HZ3 LYS A 90 -0.823 -13.758 -9.578 1.00 64.21 H new ATOM 1403 N ALA A 91 -4.645 -7.622 -8.807 1.00 44.32 N ATOM 1404 CA ALA A 91 -4.287 -6.426 -8.040 1.00 45.52 C ATOM 1405 C ALA A 91 -3.489 -6.785 -6.779 1.00 3.34 C ATOM 1406 O ALA A 91 -3.765 -7.784 -6.114 1.00 23.41 O ATOM 1407 CB ALA A 91 -5.547 -5.648 -7.673 1.00 1.12 C ATOM 0 H ALA A 91 -5.358 -8.204 -8.367 1.00 44.32 H new ATOM 0 HA ALA A 91 -3.649 -5.800 -8.664 1.00 45.52 H new ATOM 0 HB1 ALA A 91 -5.273 -4.760 -7.103 1.00 1.12 H new ATOM 0 HB2 ALA A 91 -6.068 -5.349 -8.583 1.00 1.12 H new ATOM 0 HB3 ALA A 91 -6.201 -6.278 -7.071 1.00 1.12 H new ATOM 1413 N LEU A 92 -2.491 -5.967 -6.459 1.00 32.31 N ATOM 1414 CA LEU A 92 -1.660 -6.189 -5.276 1.00 61.13 C ATOM 1415 C LEU A 92 -2.385 -5.741 -3.997 1.00 34.11 C ATOM 1416 O LEU A 92 -2.603 -4.549 -3.780 1.00 74.01 O ATOM 1417 CB LEU A 92 -0.330 -5.431 -5.420 1.00 1.11 C ATOM 1418 CG LEU A 92 0.658 -5.593 -4.250 1.00 52.11 C ATOM 1419 CD1 LEU A 92 1.210 -7.014 -4.200 1.00 65.31 C ATOM 1420 CD2 LEU A 92 1.796 -4.576 -4.362 1.00 15.31 C ATOM 0 H LEU A 92 -2.236 -5.142 -7.002 1.00 32.31 H new ATOM 0 HA LEU A 92 -1.460 -7.258 -5.196 1.00 61.13 H new ATOM 0 HB2 LEU A 92 0.160 -5.764 -6.335 1.00 1.11 H new ATOM 0 HB3 LEU A 92 -0.548 -4.370 -5.543 1.00 1.11 H new ATOM 0 HG LEU A 92 0.119 -5.405 -3.321 1.00 52.11 H new ATOM 0 HD11 LEU A 92 1.906 -7.105 -3.366 1.00 65.31 H new ATOM 0 HD12 LEU A 92 0.389 -7.719 -4.067 1.00 65.31 H new ATOM 0 HD13 LEU A 92 1.730 -7.235 -5.132 1.00 65.31 H new ATOM 0 HD21 LEU A 92 2.484 -4.706 -3.526 1.00 15.31 H new ATOM 0 HD22 LEU A 92 2.331 -4.730 -5.299 1.00 15.31 H new ATOM 0 HD23 LEU A 92 1.385 -3.567 -4.340 1.00 15.31 H new ATOM 1432 N TYR A 93 -2.773 -6.703 -3.163 1.00 10.40 N ATOM 1433 CA TYR A 93 -3.396 -6.400 -1.868 1.00 12.13 C ATOM 1434 C TYR A 93 -2.368 -6.402 -0.731 1.00 14.21 C ATOM 1435 O TYR A 93 -1.418 -7.193 -0.721 1.00 2.24 O ATOM 1436 CB TYR A 93 -4.546 -7.368 -1.561 1.00 73.31 C ATOM 1437 CG TYR A 93 -5.791 -7.113 -2.392 1.00 33.24 C ATOM 1438 CD1 TYR A 93 -5.900 -7.563 -3.702 1.00 25.44 C ATOM 1439 CD2 TYR A 93 -6.862 -6.408 -1.853 1.00 30.23 C ATOM 1440 CE1 TYR A 93 -7.037 -7.314 -4.451 1.00 34.23 C ATOM 1441 CE2 TYR A 93 -8.000 -6.157 -2.592 1.00 22.35 C ATOM 1442 CZ TYR A 93 -8.085 -6.613 -3.889 1.00 72.23 C ATOM 1443 OH TYR A 93 -9.219 -6.362 -4.628 1.00 25.44 O ATOM 0 H TYR A 93 -2.669 -7.699 -3.357 1.00 10.40 H new ATOM 0 HA TYR A 93 -3.810 -5.394 -1.940 1.00 12.13 H new ATOM 0 HB2 TYR A 93 -4.207 -8.389 -1.734 1.00 73.31 H new ATOM 0 HB3 TYR A 93 -4.802 -7.292 -0.504 1.00 73.31 H new ATOM 0 HD1 TYR A 93 -5.084 -8.116 -4.143 1.00 25.44 H new ATOM 0 HD2 TYR A 93 -6.802 -6.050 -0.836 1.00 30.23 H new ATOM 0 HE1 TYR A 93 -7.104 -7.666 -5.470 1.00 34.23 H new ATOM 0 HE2 TYR A 93 -8.820 -5.606 -2.156 1.00 22.35 H new ATOM 0 HH TYR A 93 -9.860 -5.859 -4.083 1.00 25.44 H new ATOM 1453 N LEU A 94 -2.580 -5.503 0.229 1.00 55.54 N ATOM 1454 CA LEU A 94 -1.627 -5.263 1.317 1.00 61.33 C ATOM 1455 C LEU A 94 -2.337 -5.283 2.682 1.00 54.22 C ATOM 1456 O LEU A 94 -3.515 -4.942 2.778 1.00 3.12 O ATOM 1457 CB LEU A 94 -0.971 -3.888 1.112 1.00 12.42 C ATOM 1458 CG LEU A 94 -0.425 -3.620 -0.301 1.00 21.23 C ATOM 1459 CD1 LEU A 94 0.026 -2.170 -0.439 1.00 44.54 C ATOM 1460 CD2 LEU A 94 0.714 -4.574 -0.632 1.00 11.35 C ATOM 0 H LEU A 94 -3.416 -4.920 0.276 1.00 55.54 H new ATOM 0 HA LEU A 94 -0.875 -6.052 1.304 1.00 61.33 H new ATOM 0 HB2 LEU A 94 -1.702 -3.116 1.353 1.00 12.42 H new ATOM 0 HB3 LEU A 94 -0.153 -3.785 1.825 1.00 12.42 H new ATOM 0 HG LEU A 94 -1.230 -3.795 -1.014 1.00 21.23 H new ATOM 0 HD11 LEU A 94 0.409 -2.002 -1.446 1.00 44.54 H new ATOM 0 HD12 LEU A 94 -0.820 -1.507 -0.257 1.00 44.54 H new ATOM 0 HD13 LEU A 94 0.812 -1.963 0.287 1.00 44.54 H new ATOM 0 HD21 LEU A 94 1.083 -4.365 -1.636 1.00 11.35 H new ATOM 0 HD22 LEU A 94 1.522 -4.440 0.087 1.00 11.35 H new ATOM 0 HD23 LEU A 94 0.353 -5.602 -0.585 1.00 11.35 H new ATOM 1472 N ARG A 95 -1.626 -5.684 3.736 1.00 32.32 N ATOM 1473 CA ARG A 95 -2.160 -5.577 5.102 1.00 51.13 C ATOM 1474 C ARG A 95 -1.024 -5.450 6.133 1.00 24.24 C ATOM 1475 O ARG A 95 0.138 -5.727 5.829 1.00 41.04 O ATOM 1476 CB ARG A 95 -3.082 -6.767 5.439 1.00 50.44 C ATOM 1477 CG ARG A 95 -2.368 -8.103 5.611 1.00 51.14 C ATOM 1478 CD ARG A 95 -3.358 -9.244 5.852 1.00 21.45 C ATOM 1479 NE ARG A 95 -4.383 -8.897 6.840 1.00 65.43 N ATOM 1480 CZ ARG A 95 -4.500 -9.455 8.016 1.00 5.34 C ATOM 1481 NH1 ARG A 95 -3.666 -10.371 8.399 1.00 64.14 N ATOM 1482 NH2 ARG A 95 -5.459 -9.099 8.807 1.00 42.45 N ATOM 0 H ARG A 95 -0.689 -6.082 3.677 1.00 32.32 H new ATOM 0 HA ARG A 95 -2.760 -4.669 5.151 1.00 51.13 H new ATOM 0 HB2 ARG A 95 -3.623 -6.540 6.357 1.00 50.44 H new ATOM 0 HB3 ARG A 95 -3.825 -6.868 4.648 1.00 50.44 H new ATOM 0 HG2 ARG A 95 -1.775 -8.317 4.721 1.00 51.14 H new ATOM 0 HG3 ARG A 95 -1.674 -8.040 6.449 1.00 51.14 H new ATOM 0 HD2 ARG A 95 -3.840 -9.508 4.911 1.00 21.45 H new ATOM 0 HD3 ARG A 95 -2.815 -10.126 6.191 1.00 21.45 H new ATOM 0 HE ARG A 95 -5.053 -8.168 6.592 1.00 65.43 H new ATOM 0 HH11 ARG A 95 -2.909 -10.663 7.780 1.00 64.14 H new ATOM 0 HH12 ARG A 95 -3.767 -10.800 9.319 1.00 64.14 H new ATOM 0 HH21 ARG A 95 -6.123 -8.383 8.513 1.00 42.45 H new ATOM 0 HH22 ARG A 95 -5.551 -9.534 9.725 1.00 42.45 H new ATOM 1496 N ALA A 96 -1.371 -5.021 7.345 1.00 70.33 N ATOM 1497 CA ALA A 96 -0.377 -4.729 8.388 1.00 25.30 C ATOM 1498 C ALA A 96 0.369 -5.984 8.872 1.00 4.14 C ATOM 1499 O ALA A 96 -0.190 -7.082 8.918 1.00 62.44 O ATOM 1500 CB ALA A 96 -1.047 -4.029 9.568 1.00 44.23 C ATOM 0 H ALA A 96 -2.337 -4.866 7.634 1.00 70.33 H new ATOM 0 HA ALA A 96 0.368 -4.071 7.941 1.00 25.30 H new ATOM 0 HB1 ALA A 96 -0.303 -3.817 10.336 1.00 44.23 H new ATOM 0 HB2 ALA A 96 -1.496 -3.095 9.230 1.00 44.23 H new ATOM 0 HB3 ALA A 96 -1.821 -4.675 9.982 1.00 44.23 H new ATOM 1506 N LYS A 97 1.638 -5.801 9.237 1.00 73.01 N ATOM 1507 CA LYS A 97 2.467 -6.883 9.781 1.00 55.10 C ATOM 1508 C LYS A 97 2.246 -7.043 11.296 1.00 34.12 C ATOM 1509 O LYS A 97 2.502 -6.120 12.074 1.00 2.10 O ATOM 1510 CB LYS A 97 3.954 -6.600 9.500 1.00 2.34 C ATOM 1511 CG LYS A 97 4.910 -7.657 10.062 1.00 64.32 C ATOM 1512 CD LYS A 97 4.828 -8.979 9.296 1.00 32.04 C ATOM 1513 CE LYS A 97 5.261 -8.815 7.842 1.00 32.45 C ATOM 1514 NZ LYS A 97 5.327 -10.114 7.127 1.00 30.14 N ATOM 0 H LYS A 97 2.120 -4.905 9.166 1.00 73.01 H new ATOM 0 HA LYS A 97 2.174 -7.812 9.291 1.00 55.10 H new ATOM 0 HB2 LYS A 97 4.102 -6.529 8.422 1.00 2.34 H new ATOM 0 HB3 LYS A 97 4.214 -5.629 9.922 1.00 2.34 H new ATOM 0 HG2 LYS A 97 5.931 -7.279 10.021 1.00 64.32 H new ATOM 0 HG3 LYS A 97 4.677 -7.833 11.112 1.00 64.32 H new ATOM 0 HD2 LYS A 97 5.460 -9.722 9.783 1.00 32.04 H new ATOM 0 HD3 LYS A 97 3.806 -9.358 9.331 1.00 32.04 H new ATOM 0 HE2 LYS A 97 4.562 -8.155 7.329 1.00 32.45 H new ATOM 0 HE3 LYS A 97 6.238 -8.333 7.808 1.00 32.45 H new ATOM 0 HZ1 LYS A 97 5.625 -9.954 6.144 1.00 30.14 H new ATOM 0 HZ2 LYS A 97 6.013 -10.736 7.600 1.00 30.14 H new ATOM 0 HZ3 LYS A 97 4.389 -10.563 7.136 1.00 30.14 H new