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 41 ASN : amide:sc= -0.306 K(o=-0.31,f=-7!) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 GLN : amide:sc= 0.913 K(o=1.6,f=-0.89) USER MOD Set 2.2: A 48 TYR OH : rot 133:sc= 0.64 USER MOD Single : A 19 GLN : amide:sc= -0.0906 X(o=-0.091,f=-0.057) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 80:sc= 0.555 USER MOD Single : A 34 SER OG : rot 68:sc= 0.229 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 47 ASN : amide:sc= -0.399 K(o=-0.4,f=-3!) USER MOD Single : A 50 ASN : amide:sc=-0.00563 X(o=-0.0056,f=-0.0056) USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= -1.82! (180deg=-4.02!) USER MOD Single : A 53 GLN : amide:sc= 0.809 K(o=0.81,f=-0.8) USER MOD Single : A 58 SER OG : rot 120:sc= -0.361 USER MOD Single : A 61 TYR OH : rot 22:sc= 0.157 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= -0.544 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 34:sc= 0.345 USER MOD Single : A 83 GLN : amide:sc= 0.402 K(o=0.4,f=-0.38) 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+ -144:sc= 0.404 (180deg=0.0252) USER MOD Single : A 97 LYS NZ :NH3+ -116:sc= 0.809 (180deg=0.746) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 15.840 8.430 5.027 1.00 31.01 N ATOM 262 CA GLN A 19 14.583 9.040 5.478 1.00 63.13 C ATOM 263 C GLN A 19 13.776 8.054 6.340 1.00 33.41 C ATOM 264 O GLN A 19 13.703 6.865 6.032 1.00 3.13 O ATOM 265 CB GLN A 19 13.748 9.495 4.274 1.00 43.51 C ATOM 266 CG GLN A 19 14.451 10.504 3.367 1.00 25.32 C ATOM 267 CD GLN A 19 14.825 11.788 4.091 1.00 14.14 C ATOM 268 OE1 GLN A 19 14.055 12.741 4.135 1.00 71.41 O ATOM 269 NE2 GLN A 19 16.009 11.826 4.668 1.00 34.34 N ATOM 0 HA GLN A 19 14.827 9.911 6.087 1.00 63.13 H new ATOM 0 HB2 GLN A 19 13.477 8.620 3.683 1.00 43.51 H new ATOM 0 HB3 GLN A 19 12.819 9.935 4.636 1.00 43.51 H new ATOM 0 HG2 GLN A 19 15.352 10.049 2.955 1.00 25.32 H new ATOM 0 HG3 GLN A 19 13.801 10.743 2.525 1.00 25.32 H new ATOM 0 HE21 GLN A 19 16.628 11.017 4.615 1.00 34.34 H new ATOM 0 HE22 GLN A 19 16.306 12.664 5.168 1.00 34.34 H new ATOM 278 N ALA A 20 13.171 8.552 7.414 1.00 20.51 N ATOM 279 CA ALA A 20 12.431 7.701 8.350 1.00 40.13 C ATOM 280 C ALA A 20 11.074 7.246 7.787 1.00 23.53 C ATOM 281 O ALA A 20 10.262 8.063 7.349 1.00 43.02 O ATOM 282 CB ALA A 20 12.229 8.430 9.671 1.00 65.55 C ATOM 0 H ALA A 20 13.177 9.542 7.661 1.00 20.51 H new ATOM 0 HA ALA A 20 13.030 6.804 8.511 1.00 40.13 H new ATOM 0 HB1 ALA A 20 11.678 7.789 10.360 1.00 65.55 H new ATOM 0 HB2 ALA A 20 13.199 8.677 10.102 1.00 65.55 H new ATOM 0 HB3 ALA A 20 11.665 9.347 9.498 1.00 65.55 H new ATOM 288 N PHE A 21 10.839 5.935 7.808 1.00 65.34 N ATOM 289 CA PHE A 21 9.549 5.356 7.408 1.00 22.35 C ATOM 290 C PHE A 21 8.510 5.495 8.534 1.00 52.24 C ATOM 291 O PHE A 21 8.665 4.893 9.603 1.00 31.11 O ATOM 292 CB PHE A 21 9.714 3.867 7.063 1.00 63.22 C ATOM 293 CG PHE A 21 10.481 3.592 5.793 1.00 52.54 C ATOM 294 CD1 PHE A 21 9.914 3.860 4.555 1.00 2.14 C ATOM 295 CD2 PHE A 21 11.762 3.059 5.836 1.00 31.44 C ATOM 296 CE1 PHE A 21 10.606 3.602 3.389 1.00 31.24 C ATOM 297 CE2 PHE A 21 12.460 2.803 4.672 1.00 44.34 C ATOM 298 CZ PHE A 21 11.882 3.073 3.447 1.00 41.44 C ATOM 0 H PHE A 21 11.530 5.244 8.100 1.00 65.34 H new ATOM 0 HA PHE A 21 9.200 5.901 6.531 1.00 22.35 H new ATOM 0 HB2 PHE A 21 10.220 3.371 7.891 1.00 63.22 H new ATOM 0 HB3 PHE A 21 8.725 3.417 6.978 1.00 63.22 H new ATOM 0 HD1 PHE A 21 8.919 4.276 4.503 1.00 2.14 H new ATOM 0 HD2 PHE A 21 12.218 2.842 6.791 1.00 31.44 H new ATOM 0 HE1 PHE A 21 10.151 3.813 2.432 1.00 31.24 H new ATOM 0 HE2 PHE A 21 13.458 2.392 4.720 1.00 44.34 H new ATOM 0 HZ PHE A 21 12.426 2.871 2.536 1.00 41.44 H new ATOM 308 N PRO A 22 7.439 6.287 8.330 1.00 53.13 N ATOM 309 CA PRO A 22 6.362 6.401 9.318 1.00 42.12 C ATOM 310 C PRO A 22 5.364 5.232 9.222 1.00 14.05 C ATOM 311 O PRO A 22 4.451 5.239 8.396 1.00 13.32 O ATOM 312 CB PRO A 22 5.698 7.728 8.940 1.00 21.41 C ATOM 313 CG PRO A 22 5.891 7.833 7.458 1.00 4.01 C ATOM 314 CD PRO A 22 7.198 7.138 7.145 1.00 41.23 C ATOM 0 HA PRO A 22 6.725 6.370 10.345 1.00 42.12 H new ATOM 0 HB2 PRO A 22 4.641 7.733 9.204 1.00 21.41 H new ATOM 0 HB3 PRO A 22 6.160 8.566 9.461 1.00 21.41 H new ATOM 0 HG2 PRO A 22 5.064 7.363 6.925 1.00 4.01 H new ATOM 0 HG3 PRO A 22 5.921 8.876 7.144 1.00 4.01 H new ATOM 0 HD2 PRO A 22 7.127 6.544 6.234 1.00 41.23 H new ATOM 0 HD3 PRO A 22 8.006 7.854 6.996 1.00 41.23 H new ATOM 322 N ARG A 23 5.532 4.237 10.087 1.00 40.34 N ATOM 323 CA ARG A 23 4.679 3.042 10.065 1.00 20.53 C ATOM 324 C ARG A 23 3.326 3.314 10.733 1.00 62.33 C ATOM 325 O ARG A 23 2.298 2.794 10.305 1.00 3.51 O ATOM 326 CB ARG A 23 5.390 1.860 10.748 1.00 44.24 C ATOM 327 CG ARG A 23 5.806 2.129 12.192 1.00 33.44 C ATOM 328 CD ARG A 23 6.501 0.927 12.825 1.00 53.10 C ATOM 329 NE ARG A 23 6.919 1.204 14.197 1.00 74.40 N ATOM 330 CZ ARG A 23 7.397 0.312 15.022 1.00 53.54 C ATOM 331 NH1 ARG A 23 7.524 -0.928 14.667 1.00 41.31 N ATOM 332 NH2 ARG A 23 7.752 0.665 16.212 1.00 52.13 N ATOM 0 H ARG A 23 6.248 4.229 10.813 1.00 40.34 H new ATOM 0 HA ARG A 23 4.492 2.782 9.023 1.00 20.53 H new ATOM 0 HB2 ARG A 23 4.730 0.993 10.728 1.00 44.24 H new ATOM 0 HB3 ARG A 23 6.276 1.600 10.169 1.00 44.24 H new ATOM 0 HG2 ARG A 23 6.474 2.990 12.222 1.00 33.44 H new ATOM 0 HG3 ARG A 23 4.925 2.388 12.780 1.00 33.44 H new ATOM 0 HD2 ARG A 23 5.827 0.071 12.816 1.00 53.10 H new ATOM 0 HD3 ARG A 23 7.371 0.654 12.228 1.00 53.10 H new ATOM 0 HE ARG A 23 6.831 2.163 14.535 1.00 74.40 H new ATOM 0 HH11 ARG A 23 7.249 -1.221 13.730 1.00 41.31 H new ATOM 0 HH12 ARG A 23 7.899 -1.611 15.325 1.00 41.31 H new ATOM 0 HH21 ARG A 23 7.659 1.638 16.505 1.00 52.13 H new ATOM 0 HH22 ARG A 23 8.126 -0.029 16.860 1.00 52.13 H new ATOM 346 N LYS A 24 3.339 4.152 11.767 1.00 4.35 N ATOM 347 CA LYS A 24 2.126 4.492 12.524 1.00 54.03 C ATOM 348 C LYS A 24 1.032 5.071 11.609 1.00 71.33 C ATOM 349 O LYS A 24 -0.138 4.697 11.706 1.00 55.32 O ATOM 350 CB LYS A 24 2.489 5.496 13.629 1.00 4.44 C ATOM 351 CG LYS A 24 3.589 4.990 14.562 1.00 54.45 C ATOM 352 CD LYS A 24 4.114 6.087 15.486 1.00 64.30 C ATOM 353 CE LYS A 24 3.070 6.547 16.493 1.00 54.01 C ATOM 354 NZ LYS A 24 3.571 7.672 17.326 1.00 32.45 N ATOM 0 H LYS A 24 4.183 4.615 12.106 1.00 4.35 H new ATOM 0 HA LYS A 24 1.726 3.581 12.969 1.00 54.03 H new ATOM 0 HB2 LYS A 24 2.811 6.431 13.170 1.00 4.44 H new ATOM 0 HB3 LYS A 24 1.598 5.719 14.216 1.00 4.44 H new ATOM 0 HG2 LYS A 24 3.203 4.166 15.162 1.00 54.45 H new ATOM 0 HG3 LYS A 24 4.412 4.593 13.968 1.00 54.45 H new ATOM 0 HD2 LYS A 24 4.992 5.720 16.019 1.00 64.30 H new ATOM 0 HD3 LYS A 24 4.437 6.939 14.887 1.00 64.30 H new ATOM 0 HE2 LYS A 24 2.168 6.857 15.966 1.00 54.01 H new ATOM 0 HE3 LYS A 24 2.792 5.712 17.137 1.00 54.01 H new ATOM 0 HZ1 LYS A 24 2.834 7.960 18.001 1.00 32.45 H new ATOM 0 HZ2 LYS A 24 4.418 7.368 17.847 1.00 32.45 H new ATOM 0 HZ3 LYS A 24 3.813 8.477 16.713 1.00 32.45 H new ATOM 368 N PHE A 25 1.428 5.972 10.709 1.00 23.24 N ATOM 369 CA PHE A 25 0.491 6.603 9.771 1.00 51.03 C ATOM 370 C PHE A 25 0.074 5.651 8.643 1.00 1.21 C ATOM 371 O PHE A 25 -1.116 5.434 8.408 1.00 44.24 O ATOM 372 CB PHE A 25 1.105 7.867 9.161 1.00 75.04 C ATOM 373 CG PHE A 25 1.300 8.988 10.146 1.00 5.14 C ATOM 374 CD1 PHE A 25 0.269 9.878 10.417 1.00 75.32 C ATOM 375 CD2 PHE A 25 2.513 9.157 10.799 1.00 51.35 C ATOM 376 CE1 PHE A 25 0.442 10.909 11.318 1.00 12.53 C ATOM 377 CE2 PHE A 25 2.690 10.187 11.701 1.00 50.22 C ATOM 378 CZ PHE A 25 1.655 11.064 11.961 1.00 34.25 C ATOM 0 H PHE A 25 2.394 6.284 10.608 1.00 23.24 H new ATOM 0 HA PHE A 25 -0.398 6.864 10.345 1.00 51.03 H new ATOM 0 HB2 PHE A 25 2.068 7.614 8.719 1.00 75.04 H new ATOM 0 HB3 PHE A 25 0.464 8.216 8.351 1.00 75.04 H new ATOM 0 HD1 PHE A 25 -0.681 9.762 9.916 1.00 75.32 H new ATOM 0 HD2 PHE A 25 3.327 8.476 10.599 1.00 51.35 H new ATOM 0 HE1 PHE A 25 -0.369 11.593 11.520 1.00 12.53 H new ATOM 0 HE2 PHE A 25 3.638 10.307 12.204 1.00 50.22 H new ATOM 0 HZ PHE A 25 1.794 11.870 12.666 1.00 34.25 H new ATOM 388 N VAL A 26 1.059 5.093 7.940 1.00 41.03 N ATOM 389 CA VAL A 26 0.791 4.231 6.781 1.00 43.24 C ATOM 390 C VAL A 26 -0.054 3.002 7.159 1.00 65.31 C ATOM 391 O VAL A 26 -1.010 2.656 6.460 1.00 71.13 O ATOM 392 CB VAL A 26 2.103 3.767 6.100 1.00 31.31 C ATOM 393 CG1 VAL A 26 1.799 2.957 4.840 1.00 54.25 C ATOM 394 CG2 VAL A 26 3.000 4.962 5.774 1.00 63.22 C ATOM 0 H VAL A 26 2.049 5.220 8.149 1.00 41.03 H new ATOM 0 HA VAL A 26 0.222 4.837 6.076 1.00 43.24 H new ATOM 0 HB VAL A 26 2.639 3.124 6.798 1.00 31.31 H new ATOM 0 HG11 VAL A 26 2.733 2.641 4.377 1.00 54.25 H new ATOM 0 HG12 VAL A 26 1.210 2.079 5.105 1.00 54.25 H new ATOM 0 HG13 VAL A 26 1.236 3.573 4.138 1.00 54.25 H new ATOM 0 HG21 VAL A 26 3.915 4.611 5.297 1.00 63.22 H new ATOM 0 HG22 VAL A 26 2.475 5.638 5.099 1.00 63.22 H new ATOM 0 HG23 VAL A 26 3.251 5.490 6.694 1.00 63.22 H new ATOM 404 N LEU A 27 0.289 2.346 8.269 1.00 13.23 N ATOM 405 CA LEU A 27 -0.483 1.190 8.746 1.00 5.41 C ATOM 406 C LEU A 27 -1.903 1.602 9.175 1.00 20.14 C ATOM 407 O LEU A 27 -2.841 0.806 9.090 1.00 31.44 O ATOM 408 CB LEU A 27 0.245 0.490 9.905 1.00 12.14 C ATOM 409 CG LEU A 27 1.574 -0.190 9.530 1.00 11.04 C ATOM 410 CD1 LEU A 27 2.233 -0.805 10.764 1.00 43.15 C ATOM 411 CD2 LEU A 27 1.351 -1.253 8.456 1.00 1.43 C ATOM 0 H LEU A 27 1.089 2.590 8.853 1.00 13.23 H new ATOM 0 HA LEU A 27 -0.573 0.488 7.917 1.00 5.41 H new ATOM 0 HB2 LEU A 27 0.439 1.224 10.687 1.00 12.14 H new ATOM 0 HB3 LEU A 27 -0.421 -0.261 10.331 1.00 12.14 H new ATOM 0 HG LEU A 27 2.243 0.570 9.127 1.00 11.04 H new ATOM 0 HD11 LEU A 27 3.171 -1.280 10.477 1.00 43.15 H new ATOM 0 HD12 LEU A 27 2.432 -0.024 11.498 1.00 43.15 H new ATOM 0 HD13 LEU A 27 1.567 -1.550 11.199 1.00 43.15 H new ATOM 0 HD21 LEU A 27 2.302 -1.722 8.205 1.00 1.43 H new ATOM 0 HD22 LEU A 27 0.661 -2.010 8.830 1.00 1.43 H new ATOM 0 HD23 LEU A 27 0.930 -0.787 7.565 1.00 1.43 H new ATOM 423 N ALA A 28 -2.053 2.846 9.638 1.00 22.32 N ATOM 424 CA ALA A 28 -3.374 3.393 9.977 1.00 2.22 C ATOM 425 C ALA A 28 -4.204 3.656 8.710 1.00 11.21 C ATOM 426 O ALA A 28 -5.409 3.415 8.681 1.00 4.11 O ATOM 427 CB ALA A 28 -3.226 4.672 10.802 1.00 52.24 C ATOM 0 H ALA A 28 -1.279 3.494 9.787 1.00 22.32 H new ATOM 0 HA ALA A 28 -3.905 2.654 10.577 1.00 2.22 H new ATOM 0 HB1 ALA A 28 -4.213 5.065 11.045 1.00 52.24 H new ATOM 0 HB2 ALA A 28 -2.687 4.450 11.723 1.00 52.24 H new ATOM 0 HB3 ALA A 28 -2.672 5.414 10.227 1.00 52.24 H new ATOM 433 N ALA A 29 -3.550 4.158 7.663 1.00 3.35 N ATOM 434 CA ALA A 29 -4.197 4.341 6.359 1.00 40.21 C ATOM 435 C ALA A 29 -4.565 2.987 5.738 1.00 21.14 C ATOM 436 O ALA A 29 -5.607 2.839 5.094 1.00 15.24 O ATOM 437 CB ALA A 29 -3.281 5.123 5.423 1.00 30.13 C ATOM 0 H ALA A 29 -2.572 4.446 7.690 1.00 3.35 H new ATOM 0 HA ALA A 29 -5.116 4.908 6.508 1.00 40.21 H new ATOM 0 HB1 ALA A 29 -3.772 5.253 4.458 1.00 30.13 H new ATOM 0 HB2 ALA A 29 -3.067 6.100 5.856 1.00 30.13 H new ATOM 0 HB3 ALA A 29 -2.349 4.576 5.285 1.00 30.13 H new ATOM 443 N LEU A 30 -3.693 2.005 5.953 1.00 41.53 N ATOM 444 CA LEU A 30 -3.899 0.641 5.464 1.00 31.25 C ATOM 445 C LEU A 30 -5.186 0.028 6.033 1.00 34.22 C ATOM 446 O LEU A 30 -6.099 -0.309 5.285 1.00 61.13 O ATOM 447 CB LEU A 30 -2.684 -0.227 5.829 1.00 41.32 C ATOM 448 CG LEU A 30 -2.738 -1.689 5.351 1.00 30.42 C ATOM 449 CD1 LEU A 30 -2.909 -1.762 3.835 1.00 11.24 C ATOM 450 CD2 LEU A 30 -1.482 -2.436 5.789 1.00 53.42 C ATOM 0 H LEU A 30 -2.823 2.131 6.471 1.00 41.53 H new ATOM 0 HA LEU A 30 -4.006 0.678 4.380 1.00 31.25 H new ATOM 0 HB2 LEU A 30 -1.790 0.239 5.413 1.00 41.32 H new ATOM 0 HB3 LEU A 30 -2.571 -0.223 6.913 1.00 41.32 H new ATOM 0 HG LEU A 30 -3.604 -2.167 5.809 1.00 30.42 H new ATOM 0 HD11 LEU A 30 -2.944 -2.806 3.523 1.00 11.24 H new ATOM 0 HD12 LEU A 30 -3.837 -1.266 3.549 1.00 11.24 H new ATOM 0 HD13 LEU A 30 -2.068 -1.266 3.350 1.00 11.24 H new ATOM 0 HD21 LEU A 30 -1.534 -3.469 5.444 1.00 53.42 H new ATOM 0 HD22 LEU A 30 -0.604 -1.954 5.360 1.00 53.42 H new ATOM 0 HD23 LEU A 30 -1.410 -2.420 6.876 1.00 53.42 H new ATOM 462 N GLU A 31 -5.268 -0.081 7.362 1.00 65.21 N ATOM 463 CA GLU A 31 -6.437 -0.693 8.016 1.00 3.13 C ATOM 464 C GLU A 31 -7.747 0.044 7.675 1.00 60.42 C ATOM 465 O GLU A 31 -8.821 -0.560 7.652 1.00 52.21 O ATOM 466 CB GLU A 31 -6.247 -0.738 9.539 1.00 14.30 C ATOM 467 CG GLU A 31 -6.070 0.633 10.186 1.00 70.02 C ATOM 468 CD GLU A 31 -5.998 0.557 11.701 1.00 52.33 C ATOM 469 OE1 GLU A 31 -4.901 0.297 12.238 1.00 52.33 O ATOM 470 OE2 GLU A 31 -7.042 0.740 12.363 1.00 35.43 O ATOM 0 H GLU A 31 -4.546 0.243 8.006 1.00 65.21 H new ATOM 0 HA GLU A 31 -6.517 -1.710 7.632 1.00 3.13 H new ATOM 0 HB2 GLU A 31 -7.110 -1.231 9.988 1.00 14.30 H new ATOM 0 HB3 GLU A 31 -5.375 -1.351 9.768 1.00 14.30 H new ATOM 0 HG2 GLU A 31 -5.160 1.096 9.805 1.00 70.02 H new ATOM 0 HG3 GLU A 31 -6.900 1.277 9.897 1.00 70.02 H new ATOM 477 N GLN A 32 -7.654 1.347 7.410 1.00 62.12 N ATOM 478 CA GLN A 32 -8.826 2.142 7.018 1.00 34.53 C ATOM 479 C GLN A 32 -9.222 1.886 5.554 1.00 31.30 C ATOM 480 O GLN A 32 -10.351 2.167 5.149 1.00 52.21 O ATOM 481 CB GLN A 32 -8.559 3.637 7.249 1.00 51.13 C ATOM 482 CG GLN A 32 -8.407 4.001 8.722 1.00 52.54 C ATOM 483 CD GLN A 32 -8.210 5.490 8.943 1.00 54.05 C ATOM 484 OE1 GLN A 32 -9.168 6.237 9.098 1.00 40.34 O ATOM 485 NE2 GLN A 32 -6.968 5.930 8.963 1.00 52.30 N ATOM 0 H GLN A 32 -6.784 1.877 7.458 1.00 62.12 H new ATOM 0 HA GLN A 32 -9.662 1.831 7.644 1.00 34.53 H new ATOM 0 HB2 GLN A 32 -7.653 3.924 6.715 1.00 51.13 H new ATOM 0 HB3 GLN A 32 -9.378 4.216 6.821 1.00 51.13 H new ATOM 0 HG2 GLN A 32 -9.292 3.672 9.266 1.00 52.54 H new ATOM 0 HG3 GLN A 32 -7.557 3.461 9.139 1.00 52.54 H new ATOM 0 HE21 GLN A 32 -6.194 5.279 8.830 1.00 52.30 H new ATOM 0 HE22 GLN A 32 -6.781 6.922 9.111 1.00 52.30 H new ATOM 494 N SER A 33 -8.282 1.366 4.768 1.00 31.31 N ATOM 495 CA SER A 33 -8.551 0.975 3.375 1.00 25.23 C ATOM 496 C SER A 33 -8.827 -0.533 3.276 1.00 72.31 C ATOM 497 O SER A 33 -9.444 -1.004 2.320 1.00 33.31 O ATOM 498 CB SER A 33 -7.362 1.345 2.476 1.00 23.42 C ATOM 499 OG SER A 33 -7.083 2.733 2.543 1.00 75.25 O ATOM 0 H SER A 33 -7.321 1.203 5.069 1.00 31.31 H new ATOM 0 HA SER A 33 -9.435 1.515 3.037 1.00 25.23 H new ATOM 0 HB2 SER A 33 -6.482 0.779 2.781 1.00 23.42 H new ATOM 0 HB3 SER A 33 -7.580 1.064 1.446 1.00 23.42 H new ATOM 0 HG SER A 33 -6.569 2.925 3.355 1.00 75.25 H new ATOM 505 N SER A 34 -8.365 -1.282 4.276 1.00 3.52 N ATOM 506 CA SER A 34 -8.551 -2.738 4.324 1.00 24.23 C ATOM 507 C SER A 34 -10.008 -3.112 4.614 1.00 30.53 C ATOM 508 O SER A 34 -10.590 -2.667 5.604 1.00 21.32 O ATOM 509 CB SER A 34 -7.638 -3.374 5.389 1.00 12.41 C ATOM 510 OG SER A 34 -6.268 -3.286 5.026 1.00 24.33 O ATOM 0 H SER A 34 -7.854 -0.903 5.073 1.00 3.52 H new ATOM 0 HA SER A 34 -8.283 -3.125 3.341 1.00 24.23 H new ATOM 0 HB2 SER A 34 -7.794 -2.876 6.346 1.00 12.41 H new ATOM 0 HB3 SER A 34 -7.912 -4.420 5.526 1.00 12.41 H new ATOM 0 HG SER A 34 -5.985 -2.348 5.044 1.00 24.33 H new ATOM 516 N ASP A 35 -10.590 -3.934 3.747 1.00 11.00 N ATOM 517 CA ASP A 35 -11.965 -4.407 3.926 1.00 70.01 C ATOM 518 C ASP A 35 -12.065 -5.485 5.024 1.00 30.34 C ATOM 519 O ASP A 35 -11.100 -5.745 5.744 1.00 73.23 O ATOM 520 CB ASP A 35 -12.496 -4.944 2.593 1.00 41.01 C ATOM 521 CG ASP A 35 -12.735 -3.831 1.586 1.00 42.04 C ATOM 522 OD1 ASP A 35 -13.571 -2.941 1.867 1.00 42.15 O ATOM 523 OD2 ASP A 35 -12.092 -3.829 0.521 1.00 25.15 O ATOM 0 H ASP A 35 -10.131 -4.290 2.908 1.00 11.00 H new ATOM 0 HA ASP A 35 -12.576 -3.565 4.251 1.00 70.01 H new ATOM 0 HB2 ASP A 35 -11.784 -5.659 2.181 1.00 41.01 H new ATOM 0 HB3 ASP A 35 -13.427 -5.484 2.765 1.00 41.01 H new ATOM 528 N ASP A 36 -13.243 -6.101 5.142 1.00 3.35 N ATOM 529 CA ASP A 36 -13.507 -7.142 6.151 1.00 22.24 C ATOM 530 C ASP A 36 -12.385 -8.204 6.226 1.00 61.33 C ATOM 531 O ASP A 36 -11.992 -8.629 7.313 1.00 0.43 O ATOM 532 CB ASP A 36 -14.850 -7.819 5.839 1.00 1.31 C ATOM 533 CG ASP A 36 -15.178 -8.949 6.801 1.00 11.11 C ATOM 534 OD1 ASP A 36 -15.658 -8.669 7.919 1.00 64.54 O ATOM 535 OD2 ASP A 36 -14.949 -10.125 6.440 1.00 31.13 O ATOM 0 H ASP A 36 -14.043 -5.896 4.544 1.00 3.35 H new ATOM 0 HA ASP A 36 -13.542 -6.654 7.125 1.00 22.24 H new ATOM 0 HB2 ASP A 36 -15.645 -7.074 5.877 1.00 1.31 H new ATOM 0 HB3 ASP A 36 -14.827 -8.209 4.822 1.00 1.31 H new ATOM 540 N ALA A 37 -11.866 -8.615 5.069 1.00 24.41 N ATOM 541 CA ALA A 37 -10.839 -9.670 5.003 1.00 61.25 C ATOM 542 C ALA A 37 -9.431 -9.164 5.376 1.00 22.23 C ATOM 543 O ALA A 37 -8.456 -9.913 5.304 1.00 43.32 O ATOM 544 CB ALA A 37 -10.820 -10.281 3.607 1.00 65.24 C ATOM 0 H ALA A 37 -12.136 -8.237 4.161 1.00 24.41 H new ATOM 0 HA ALA A 37 -11.108 -10.425 5.742 1.00 61.25 H new ATOM 0 HB1 ALA A 37 -10.060 -11.061 3.561 1.00 65.24 H new ATOM 0 HB2 ALA A 37 -11.796 -10.713 3.385 1.00 65.24 H new ATOM 0 HB3 ALA A 37 -10.591 -9.507 2.874 1.00 65.24 H new ATOM 550 N GLY A 38 -9.328 -7.897 5.770 1.00 61.41 N ATOM 551 CA GLY A 38 -8.033 -7.319 6.125 1.00 33.22 C ATOM 552 C GLY A 38 -7.218 -6.860 4.915 1.00 54.45 C ATOM 553 O GLY A 38 -6.150 -6.261 5.067 1.00 63.04 O ATOM 0 H GLY A 38 -10.117 -7.256 5.851 1.00 61.41 H new ATOM 0 HA2 GLY A 38 -8.193 -6.469 6.789 1.00 33.22 H new ATOM 0 HA3 GLY A 38 -7.456 -8.056 6.684 1.00 33.22 H new ATOM 557 N TRP A 39 -7.723 -7.132 3.716 1.00 72.13 N ATOM 558 CA TRP A 39 -7.030 -6.776 2.472 1.00 22.52 C ATOM 559 C TRP A 39 -7.418 -5.378 1.970 1.00 4.20 C ATOM 560 O TRP A 39 -8.597 -5.016 1.945 1.00 72.44 O ATOM 561 CB TRP A 39 -7.333 -7.818 1.385 1.00 61.22 C ATOM 562 CG TRP A 39 -6.703 -9.152 1.651 1.00 53.04 C ATOM 563 CD1 TRP A 39 -7.327 -10.299 2.054 1.00 12.31 C ATOM 564 CD2 TRP A 39 -5.316 -9.469 1.534 1.00 54.03 C ATOM 565 NE1 TRP A 39 -6.406 -11.308 2.192 1.00 32.12 N ATOM 566 CE2 TRP A 39 -5.163 -10.823 1.878 1.00 42.34 C ATOM 567 CE3 TRP A 39 -4.187 -8.732 1.168 1.00 15.34 C ATOM 568 CZ2 TRP A 39 -3.923 -11.455 1.867 1.00 74.12 C ATOM 569 CZ3 TRP A 39 -2.959 -9.357 1.157 1.00 12.43 C ATOM 570 CH2 TRP A 39 -2.835 -10.707 1.503 1.00 75.12 C ATOM 0 H TRP A 39 -8.617 -7.602 3.574 1.00 72.13 H new ATOM 0 HA TRP A 39 -5.962 -6.764 2.689 1.00 22.52 H new ATOM 0 HB2 TRP A 39 -8.413 -7.944 1.303 1.00 61.22 H new ATOM 0 HB3 TRP A 39 -6.981 -7.443 0.424 1.00 61.22 H new ATOM 0 HD1 TRP A 39 -8.387 -10.397 2.237 1.00 12.31 H new ATOM 0 HE1 TRP A 39 -6.613 -12.264 2.481 1.00 32.12 H new ATOM 0 HE3 TRP A 39 -4.275 -7.690 0.898 1.00 15.34 H new ATOM 0 HZ2 TRP A 39 -3.823 -12.496 2.135 1.00 74.12 H new ATOM 0 HZ3 TRP A 39 -2.079 -8.797 0.877 1.00 12.43 H new ATOM 0 HH2 TRP A 39 -1.859 -11.170 1.483 1.00 75.12 H new ATOM 581 N ALA A 40 -6.412 -4.597 1.581 1.00 44.30 N ATOM 582 CA ALA A 40 -6.623 -3.272 0.983 1.00 3.33 C ATOM 583 C ALA A 40 -6.048 -3.208 -0.438 1.00 51.34 C ATOM 584 O ALA A 40 -4.865 -3.477 -0.649 1.00 30.41 O ATOM 585 CB ALA A 40 -5.983 -2.198 1.853 1.00 72.11 C ATOM 0 H ALA A 40 -5.430 -4.860 1.669 1.00 44.30 H new ATOM 0 HA ALA A 40 -7.697 -3.094 0.923 1.00 3.33 H new ATOM 0 HB1 ALA A 40 -6.145 -1.219 1.401 1.00 72.11 H new ATOM 0 HB2 ALA A 40 -6.433 -2.218 2.846 1.00 72.11 H new ATOM 0 HB3 ALA A 40 -4.913 -2.387 1.936 1.00 72.11 H new ATOM 591 N ASN A 41 -6.888 -2.858 -1.409 1.00 24.11 N ATOM 592 CA ASN A 41 -6.449 -2.720 -2.802 1.00 13.51 C ATOM 593 C ASN A 41 -5.442 -1.565 -2.952 1.00 11.44 C ATOM 594 O ASN A 41 -5.720 -0.433 -2.551 1.00 72.03 O ATOM 595 CB ASN A 41 -7.670 -2.507 -3.713 1.00 43.02 C ATOM 596 CG ASN A 41 -7.325 -2.517 -5.196 1.00 73.32 C ATOM 597 OD1 ASN A 41 -6.294 -2.004 -5.614 1.00 64.21 O ATOM 598 ND2 ASN A 41 -8.166 -3.137 -5.998 1.00 74.04 N ATOM 0 H ASN A 41 -7.878 -2.664 -1.260 1.00 24.11 H new ATOM 0 HA ASN A 41 -5.942 -3.637 -3.102 1.00 13.51 H new ATOM 0 HB2 ASN A 41 -8.404 -3.287 -3.513 1.00 43.02 H new ATOM 0 HB3 ASN A 41 -8.140 -1.556 -3.463 1.00 43.02 H new ATOM 0 HD21 ASN A 41 -7.967 -3.200 -6.996 1.00 74.04 H new ATOM 0 HD22 ASN A 41 -9.017 -3.555 -5.621 1.00 74.04 H new ATOM 605 N LEU A 42 -4.282 -1.865 -3.547 1.00 4.23 N ATOM 606 CA LEU A 42 -3.182 -0.897 -3.705 1.00 62.41 C ATOM 607 C LEU A 42 -3.659 0.462 -4.257 1.00 72.12 C ATOM 608 O LEU A 42 -3.232 1.518 -3.781 1.00 55.22 O ATOM 609 CB LEU A 42 -2.106 -1.481 -4.633 1.00 24.32 C ATOM 610 CG LEU A 42 -0.865 -0.595 -4.855 1.00 21.02 C ATOM 611 CD1 LEU A 42 -0.110 -0.372 -3.545 1.00 33.43 C ATOM 612 CD2 LEU A 42 0.051 -1.206 -5.919 1.00 70.24 C ATOM 0 H LEU A 42 -4.076 -2.786 -3.934 1.00 4.23 H new ATOM 0 HA LEU A 42 -2.770 -0.716 -2.712 1.00 62.41 H new ATOM 0 HB2 LEU A 42 -1.779 -2.437 -4.224 1.00 24.32 H new ATOM 0 HB3 LEU A 42 -2.561 -1.688 -5.602 1.00 24.32 H new ATOM 0 HG LEU A 42 -1.202 0.377 -5.215 1.00 21.02 H new ATOM 0 HD11 LEU A 42 0.761 0.256 -3.730 1.00 33.43 H new ATOM 0 HD12 LEU A 42 -0.766 0.119 -2.826 1.00 33.43 H new ATOM 0 HD13 LEU A 42 0.214 -1.332 -3.144 1.00 33.43 H new ATOM 0 HD21 LEU A 42 0.921 -0.565 -6.061 1.00 70.24 H new ATOM 0 HD22 LEU A 42 0.377 -2.194 -5.595 1.00 70.24 H new ATOM 0 HD23 LEU A 42 -0.492 -1.294 -6.860 1.00 70.24 H new ATOM 624 N GLY A 43 -4.543 0.426 -5.260 1.00 10.31 N ATOM 625 CA GLY A 43 -5.065 1.657 -5.852 1.00 43.01 C ATOM 626 C GLY A 43 -5.705 2.593 -4.829 1.00 70.33 C ATOM 627 O GLY A 43 -5.407 3.788 -4.793 1.00 12.21 O ATOM 0 H GLY A 43 -4.907 -0.433 -5.673 1.00 10.31 H new ATOM 0 HA2 GLY A 43 -4.254 2.182 -6.357 1.00 43.01 H new ATOM 0 HA3 GLY A 43 -5.803 1.402 -6.613 1.00 43.01 H new ATOM 631 N ASN A 44 -6.575 2.044 -3.985 1.00 52.53 N ATOM 632 CA ASN A 44 -7.246 2.831 -2.945 1.00 55.02 C ATOM 633 C ASN A 44 -6.298 3.133 -1.773 1.00 71.11 C ATOM 634 O ASN A 44 -6.361 4.211 -1.177 1.00 34.33 O ATOM 635 CB ASN A 44 -8.492 2.094 -2.447 1.00 43.15 C ATOM 636 CG ASN A 44 -9.515 1.895 -3.548 1.00 34.34 C ATOM 637 OD1 ASN A 44 -9.633 2.707 -4.461 1.00 53.43 O ATOM 638 ND2 ASN A 44 -10.256 0.812 -3.482 1.00 5.32 N ATOM 0 H ASN A 44 -6.834 1.058 -3.998 1.00 52.53 H new ATOM 0 HA ASN A 44 -7.547 3.782 -3.383 1.00 55.02 H new ATOM 0 HB2 ASN A 44 -8.202 1.124 -2.043 1.00 43.15 H new ATOM 0 HB3 ASN A 44 -8.944 2.657 -1.630 1.00 43.15 H new ATOM 0 HD21 ASN A 44 -10.954 0.627 -4.203 1.00 5.32 H new ATOM 0 HD22 ASN A 44 -10.134 0.157 -2.710 1.00 5.32 H new ATOM 645 N PHE A 45 -5.421 2.178 -1.457 1.00 32.52 N ATOM 646 CA PHE A 45 -4.420 2.348 -0.395 1.00 30.41 C ATOM 647 C PHE A 45 -3.559 3.597 -0.630 1.00 41.32 C ATOM 648 O PHE A 45 -3.439 4.451 0.248 1.00 14.32 O ATOM 649 CB PHE A 45 -3.522 1.100 -0.303 1.00 51.14 C ATOM 650 CG PHE A 45 -2.330 1.265 0.613 1.00 20.12 C ATOM 651 CD1 PHE A 45 -2.501 1.375 1.985 1.00 31.11 C ATOM 652 CD2 PHE A 45 -1.038 1.307 0.100 1.00 54.41 C ATOM 653 CE1 PHE A 45 -1.412 1.524 2.824 1.00 23.52 C ATOM 654 CE2 PHE A 45 0.051 1.454 0.936 1.00 24.02 C ATOM 655 CZ PHE A 45 -0.136 1.562 2.299 1.00 44.54 C ATOM 0 H PHE A 45 -5.382 1.272 -1.924 1.00 32.52 H new ATOM 0 HA PHE A 45 -4.954 2.478 0.547 1.00 30.41 H new ATOM 0 HB2 PHE A 45 -4.121 0.259 0.046 1.00 51.14 H new ATOM 0 HB3 PHE A 45 -3.167 0.846 -1.302 1.00 51.14 H new ATOM 0 HD1 PHE A 45 -3.496 1.344 2.403 1.00 31.11 H new ATOM 0 HD2 PHE A 45 -0.885 1.224 -0.966 1.00 54.41 H new ATOM 0 HE1 PHE A 45 -1.560 1.611 3.890 1.00 23.52 H new ATOM 0 HE2 PHE A 45 1.049 1.484 0.523 1.00 24.02 H new ATOM 0 HZ PHE A 45 0.715 1.676 2.954 1.00 44.54 H new ATOM 665 N GLY A 46 -2.962 3.694 -1.819 1.00 13.15 N ATOM 666 CA GLY A 46 -2.135 4.848 -2.156 1.00 11.33 C ATOM 667 C GLY A 46 -2.894 6.168 -2.063 1.00 64.02 C ATOM 668 O GLY A 46 -2.346 7.181 -1.625 1.00 62.30 O ATOM 0 H GLY A 46 -3.036 2.993 -2.557 1.00 13.15 H new ATOM 0 HA2 GLY A 46 -1.275 4.881 -1.487 1.00 11.33 H new ATOM 0 HA3 GLY A 46 -1.747 4.728 -3.168 1.00 11.33 H new ATOM 672 N ASN A 47 -4.164 6.144 -2.464 1.00 64.01 N ATOM 673 CA ASN A 47 -5.018 7.333 -2.417 1.00 62.31 C ATOM 674 C ASN A 47 -5.250 7.795 -0.965 1.00 20.35 C ATOM 675 O ASN A 47 -4.943 8.938 -0.609 1.00 64.42 O ATOM 676 CB ASN A 47 -6.356 7.036 -3.110 1.00 3.40 C ATOM 677 CG ASN A 47 -7.219 8.272 -3.315 1.00 73.34 C ATOM 678 OD1 ASN A 47 -7.202 9.206 -2.522 1.00 20.25 O ATOM 679 ND2 ASN A 47 -7.983 8.286 -4.386 1.00 71.52 N ATOM 0 H ASN A 47 -4.627 5.311 -2.827 1.00 64.01 H new ATOM 0 HA ASN A 47 -4.514 8.143 -2.944 1.00 62.31 H new ATOM 0 HB2 ASN A 47 -6.161 6.574 -4.078 1.00 3.40 H new ATOM 0 HB3 ASN A 47 -6.911 6.309 -2.516 1.00 3.40 H new ATOM 0 HD21 ASN A 47 -8.583 9.089 -4.574 1.00 71.52 H new ATOM 0 HD22 ASN A 47 -7.976 7.493 -5.028 1.00 71.52 H new ATOM 686 N TYR A 48 -5.772 6.900 -0.122 1.00 3.45 N ATOM 687 CA TYR A 48 -6.064 7.242 1.277 1.00 75.23 C ATOM 688 C TYR A 48 -4.773 7.547 2.058 1.00 72.21 C ATOM 689 O TYR A 48 -4.754 8.408 2.944 1.00 22.41 O ATOM 690 CB TYR A 48 -6.841 6.108 1.968 1.00 20.14 C ATOM 691 CG TYR A 48 -7.495 6.536 3.270 1.00 63.23 C ATOM 692 CD1 TYR A 48 -8.722 7.194 3.266 1.00 50.13 C ATOM 693 CD2 TYR A 48 -6.885 6.302 4.497 1.00 3.01 C ATOM 694 CE1 TYR A 48 -9.319 7.600 4.443 1.00 43.11 C ATOM 695 CE2 TYR A 48 -7.475 6.709 5.677 1.00 31.34 C ATOM 696 CZ TYR A 48 -8.691 7.357 5.645 1.00 23.21 C ATOM 697 OH TYR A 48 -9.278 7.766 6.821 1.00 43.11 O ATOM 0 H TYR A 48 -6.000 5.940 -0.379 1.00 3.45 H new ATOM 0 HA TYR A 48 -6.683 8.139 1.272 1.00 75.23 H new ATOM 0 HB2 TYR A 48 -7.608 5.736 1.289 1.00 20.14 H new ATOM 0 HB3 TYR A 48 -6.161 5.279 2.166 1.00 20.14 H new ATOM 0 HD1 TYR A 48 -9.216 7.390 2.326 1.00 50.13 H new ATOM 0 HD2 TYR A 48 -5.933 5.793 4.528 1.00 3.01 H new ATOM 0 HE1 TYR A 48 -10.273 8.105 4.421 1.00 43.11 H new ATOM 0 HE2 TYR A 48 -6.986 6.520 6.621 1.00 31.34 H new ATOM 0 HH TYR A 48 -9.257 7.032 7.470 1.00 43.11 H new ATOM 707 N LEU A 49 -3.698 6.836 1.726 1.00 51.11 N ATOM 708 CA LEU A 49 -2.392 7.056 2.354 1.00 21.21 C ATOM 709 C LEU A 49 -1.900 8.493 2.143 1.00 13.01 C ATOM 710 O LEU A 49 -1.493 9.166 3.093 1.00 4.02 O ATOM 711 CB LEU A 49 -1.355 6.065 1.797 1.00 52.34 C ATOM 712 CG LEU A 49 0.090 6.288 2.276 1.00 51.53 C ATOM 713 CD1 LEU A 49 0.173 6.238 3.798 1.00 3.05 C ATOM 714 CD2 LEU A 49 1.036 5.267 1.645 1.00 52.00 C ATOM 0 H LEU A 49 -3.703 6.098 1.022 1.00 51.11 H new ATOM 0 HA LEU A 49 -2.512 6.891 3.425 1.00 21.21 H new ATOM 0 HB2 LEU A 49 -1.659 5.055 2.070 1.00 52.34 H new ATOM 0 HB3 LEU A 49 -1.372 6.120 0.709 1.00 52.34 H new ATOM 0 HG LEU A 49 0.402 7.282 1.954 1.00 51.53 H new ATOM 0 HD11 LEU A 49 1.205 6.398 4.112 1.00 3.05 H new ATOM 0 HD12 LEU A 49 -0.461 7.017 4.223 1.00 3.05 H new ATOM 0 HD13 LEU A 49 -0.166 5.263 4.149 1.00 3.05 H new ATOM 0 HD21 LEU A 49 2.052 5.445 1.999 1.00 52.00 H new ATOM 0 HD22 LEU A 49 0.725 4.261 1.926 1.00 52.00 H new ATOM 0 HD23 LEU A 49 1.007 5.366 0.560 1.00 52.00 H new ATOM 726 N ASN A 50 -1.953 8.963 0.899 1.00 42.25 N ATOM 727 CA ASN A 50 -1.455 10.300 0.556 1.00 11.13 C ATOM 728 C ASN A 50 -2.286 11.407 1.241 1.00 2.40 C ATOM 729 O ASN A 50 -1.866 12.561 1.302 1.00 54.24 O ATOM 730 CB ASN A 50 -1.450 10.480 -0.967 1.00 62.34 C ATOM 731 CG ASN A 50 -0.704 11.728 -1.412 1.00 11.01 C ATOM 732 OD1 ASN A 50 -1.292 12.785 -1.616 1.00 45.14 O ATOM 733 ND2 ASN A 50 0.604 11.619 -1.552 1.00 3.21 N ATOM 0 H ASN A 50 -2.335 8.441 0.110 1.00 42.25 H new ATOM 0 HA ASN A 50 -0.433 10.390 0.925 1.00 11.13 H new ATOM 0 HB2 ASN A 50 -0.993 9.605 -1.430 1.00 62.34 H new ATOM 0 HB3 ASN A 50 -2.478 10.530 -1.325 1.00 62.34 H new ATOM 0 HD21 ASN A 50 1.156 12.428 -1.837 1.00 3.21 H new ATOM 0 HD22 ASN A 50 1.063 10.726 -1.375 1.00 3.21 H new ATOM 740 N LYS A 51 -3.467 11.046 1.754 1.00 13.33 N ATOM 741 CA LYS A 51 -4.279 11.971 2.559 1.00 33.42 C ATOM 742 C LYS A 51 -3.639 12.196 3.937 1.00 34.23 C ATOM 743 O LYS A 51 -3.547 13.328 4.419 1.00 23.23 O ATOM 744 CB LYS A 51 -5.709 11.432 2.743 1.00 33.54 C ATOM 745 CG LYS A 51 -6.467 11.209 1.438 1.00 14.32 C ATOM 746 CD LYS A 51 -7.897 10.707 1.675 1.00 71.41 C ATOM 747 CE LYS A 51 -8.849 11.807 2.153 1.00 30.45 C ATOM 748 NZ LYS A 51 -8.532 12.300 3.523 1.00 55.33 N ATOM 0 H LYS A 51 -3.883 10.123 1.628 1.00 13.33 H new ATOM 0 HA LYS A 51 -4.324 12.920 2.024 1.00 33.42 H new ATOM 0 HB2 LYS A 51 -5.662 10.489 3.288 1.00 33.54 H new ATOM 0 HB3 LYS A 51 -6.272 12.131 3.362 1.00 33.54 H new ATOM 0 HG2 LYS A 51 -6.500 12.142 0.876 1.00 14.32 H new ATOM 0 HG3 LYS A 51 -5.927 10.487 0.826 1.00 14.32 H new ATOM 0 HD2 LYS A 51 -8.283 10.278 0.750 1.00 71.41 H new ATOM 0 HD3 LYS A 51 -7.877 9.906 2.414 1.00 71.41 H new ATOM 0 HE2 LYS A 51 -8.809 12.643 1.454 1.00 30.45 H new ATOM 0 HE3 LYS A 51 -9.871 11.427 2.137 1.00 30.45 H new ATOM 0 HZ1 LYS A 51 -9.414 12.539 4.019 1.00 55.33 H new ATOM 0 HZ2 LYS A 51 -8.028 11.559 4.051 1.00 55.33 H new ATOM 0 HZ3 LYS A 51 -7.932 13.147 3.457 1.00 55.33 H new ATOM 762 N LEU A 52 -3.202 11.108 4.570 1.00 74.33 N ATOM 763 CA LEU A 52 -2.595 11.176 5.907 1.00 25.40 C ATOM 764 C LEU A 52 -1.113 11.577 5.837 1.00 15.21 C ATOM 765 O LEU A 52 -0.592 12.237 6.740 1.00 12.21 O ATOM 766 CB LEU A 52 -2.736 9.827 6.629 1.00 62.24 C ATOM 767 CG LEU A 52 -4.178 9.324 6.822 1.00 51.31 C ATOM 768 CD1 LEU A 52 -4.191 8.017 7.613 1.00 4.51 C ATOM 769 CD2 LEU A 52 -5.035 10.382 7.516 1.00 73.52 C ATOM 0 H LEU A 52 -3.255 10.166 4.182 1.00 74.33 H new ATOM 0 HA LEU A 52 -3.127 11.944 6.469 1.00 25.40 H new ATOM 0 HB2 LEU A 52 -2.180 9.075 6.069 1.00 62.24 H new ATOM 0 HB3 LEU A 52 -2.264 9.908 7.608 1.00 62.24 H new ATOM 0 HG LEU A 52 -4.605 9.134 5.837 1.00 51.31 H new ATOM 0 HD11 LEU A 52 -5.219 7.678 7.739 1.00 4.51 H new ATOM 0 HD12 LEU A 52 -3.623 7.259 7.073 1.00 4.51 H new ATOM 0 HD13 LEU A 52 -3.740 8.180 8.592 1.00 4.51 H new ATOM 0 HD21 LEU A 52 -6.050 10.004 7.641 1.00 73.52 H new ATOM 0 HD22 LEU A 52 -4.610 10.611 8.493 1.00 73.52 H new ATOM 0 HD23 LEU A 52 -5.058 11.287 6.909 1.00 73.52 H new ATOM 781 N GLN A 53 -0.434 11.170 4.766 1.00 55.11 N ATOM 782 CA GLN A 53 0.988 11.491 4.572 1.00 61.40 C ATOM 783 C GLN A 53 1.267 12.003 3.145 1.00 73.24 C ATOM 784 O GLN A 53 1.802 11.274 2.307 1.00 61.24 O ATOM 785 CB GLN A 53 1.863 10.258 4.863 1.00 21.21 C ATOM 786 CG GLN A 53 1.934 9.863 6.337 1.00 2.11 C ATOM 787 CD GLN A 53 2.727 10.851 7.181 1.00 22.01 C ATOM 788 OE1 GLN A 53 3.936 10.720 7.341 1.00 43.44 O ATOM 789 NE2 GLN A 53 2.058 11.841 7.734 1.00 71.22 N ATOM 0 H GLN A 53 -0.843 10.615 4.014 1.00 55.11 H new ATOM 0 HA GLN A 53 1.240 12.287 5.273 1.00 61.40 H new ATOM 0 HB2 GLN A 53 1.479 9.413 4.292 1.00 21.21 H new ATOM 0 HB3 GLN A 53 2.873 10.453 4.503 1.00 21.21 H new ATOM 0 HG2 GLN A 53 0.922 9.784 6.735 1.00 2.11 H new ATOM 0 HG3 GLN A 53 2.388 8.876 6.421 1.00 2.11 H new ATOM 0 HE21 GLN A 53 1.053 11.924 7.583 1.00 71.22 H new ATOM 0 HE22 GLN A 53 2.545 12.525 8.313 1.00 71.22 H new ATOM 798 N PRO A 54 0.903 13.268 2.842 1.00 53.10 N ATOM 799 CA PRO A 54 1.212 13.889 1.540 1.00 61.30 C ATOM 800 C PRO A 54 2.721 14.135 1.371 1.00 22.30 C ATOM 801 O PRO A 54 3.258 14.096 0.259 1.00 51.34 O ATOM 802 CB PRO A 54 0.447 15.230 1.578 1.00 51.34 C ATOM 803 CG PRO A 54 -0.484 15.136 2.746 1.00 34.23 C ATOM 804 CD PRO A 54 0.156 14.184 3.719 1.00 62.44 C ATOM 0 HA PRO A 54 0.922 13.252 0.704 1.00 61.30 H new ATOM 0 HB2 PRO A 54 1.134 16.069 1.692 1.00 51.34 H new ATOM 0 HB3 PRO A 54 -0.103 15.392 0.651 1.00 51.34 H new ATOM 0 HG2 PRO A 54 -0.636 16.114 3.202 1.00 34.23 H new ATOM 0 HG3 PRO A 54 -1.464 14.774 2.434 1.00 34.23 H new ATOM 0 HD2 PRO A 54 0.814 14.702 4.417 1.00 62.44 H new ATOM 0 HD3 PRO A 54 -0.588 13.655 4.315 1.00 62.44 H new ATOM 812 N ASP A 55 3.390 14.382 2.498 1.00 63.54 N ATOM 813 CA ASP A 55 4.839 14.593 2.529 1.00 1.11 C ATOM 814 C ASP A 55 5.608 13.288 2.233 1.00 12.31 C ATOM 815 O ASP A 55 6.799 13.313 1.913 1.00 14.34 O ATOM 816 CB ASP A 55 5.234 15.146 3.906 1.00 25.22 C ATOM 817 CG ASP A 55 6.721 15.427 4.025 1.00 0.32 C ATOM 818 OD1 ASP A 55 7.205 16.379 3.378 1.00 24.33 O ATOM 819 OD2 ASP A 55 7.416 14.697 4.766 1.00 52.41 O ATOM 0 H ASP A 55 2.944 14.441 3.414 1.00 63.54 H new ATOM 0 HA ASP A 55 5.105 15.309 1.751 1.00 1.11 H new ATOM 0 HB2 ASP A 55 4.679 16.065 4.096 1.00 25.22 H new ATOM 0 HB3 ASP A 55 4.941 14.432 4.676 1.00 25.22 H new ATOM 824 N PHE A 56 4.917 12.152 2.330 1.00 33.02 N ATOM 825 CA PHE A 56 5.539 10.839 2.117 1.00 74.23 C ATOM 826 C PHE A 56 5.501 10.441 0.632 1.00 73.01 C ATOM 827 O PHE A 56 4.449 10.090 0.097 1.00 3.43 O ATOM 828 CB PHE A 56 4.830 9.782 2.978 1.00 32.03 C ATOM 829 CG PHE A 56 5.421 8.396 2.878 1.00 15.53 C ATOM 830 CD1 PHE A 56 6.628 8.096 3.495 1.00 20.13 C ATOM 831 CD2 PHE A 56 4.767 7.392 2.178 1.00 12.41 C ATOM 832 CE1 PHE A 56 7.169 6.828 3.413 1.00 71.42 C ATOM 833 CE2 PHE A 56 5.305 6.121 2.092 1.00 65.34 C ATOM 834 CZ PHE A 56 6.508 5.840 2.711 1.00 0.22 C ATOM 0 H PHE A 56 3.923 12.112 2.555 1.00 33.02 H new ATOM 0 HA PHE A 56 6.585 10.899 2.416 1.00 74.23 H new ATOM 0 HB2 PHE A 56 4.858 10.101 4.020 1.00 32.03 H new ATOM 0 HB3 PHE A 56 3.781 9.738 2.686 1.00 32.03 H new ATOM 0 HD1 PHE A 56 7.150 8.864 4.046 1.00 20.13 H new ATOM 0 HD2 PHE A 56 3.826 7.606 1.694 1.00 12.41 H new ATOM 0 HE1 PHE A 56 8.109 6.609 3.898 1.00 71.42 H new ATOM 0 HE2 PHE A 56 4.786 5.350 1.542 1.00 65.34 H new ATOM 0 HZ PHE A 56 6.931 4.848 2.646 1.00 0.22 H new ATOM 844 N ASP A 57 6.655 10.507 -0.032 1.00 53.52 N ATOM 845 CA ASP A 57 6.754 10.180 -1.459 1.00 43.32 C ATOM 846 C ASP A 57 7.850 9.130 -1.723 1.00 3.04 C ATOM 847 O ASP A 57 8.923 9.164 -1.121 1.00 21.41 O ATOM 848 CB ASP A 57 7.029 11.454 -2.261 1.00 33.51 C ATOM 849 CG ASP A 57 7.133 11.187 -3.749 1.00 75.52 C ATOM 850 OD1 ASP A 57 6.098 10.880 -4.378 1.00 54.30 O ATOM 851 OD2 ASP A 57 8.248 11.263 -4.292 1.00 42.41 O ATOM 0 H ASP A 57 7.539 10.785 0.395 1.00 53.52 H new ATOM 0 HA ASP A 57 5.805 9.749 -1.778 1.00 43.32 H new ATOM 0 HB2 ASP A 57 6.232 12.174 -2.078 1.00 33.51 H new ATOM 0 HB3 ASP A 57 7.956 11.908 -1.910 1.00 33.51 H new ATOM 856 N SER A 58 7.569 8.212 -2.646 1.00 5.02 N ATOM 857 CA SER A 58 8.475 7.091 -2.958 1.00 40.15 C ATOM 858 C SER A 58 9.816 7.556 -3.544 1.00 55.13 C ATOM 859 O SER A 58 10.861 6.952 -3.276 1.00 54.43 O ATOM 860 CB SER A 58 7.804 6.129 -3.945 1.00 33.52 C ATOM 861 OG SER A 58 6.541 5.701 -3.466 1.00 71.35 O ATOM 0 H SER A 58 6.713 8.217 -3.200 1.00 5.02 H new ATOM 0 HA SER A 58 8.682 6.586 -2.014 1.00 40.15 H new ATOM 0 HB2 SER A 58 7.682 6.621 -4.910 1.00 33.52 H new ATOM 0 HB3 SER A 58 8.447 5.264 -4.107 1.00 33.52 H new ATOM 0 HG SER A 58 5.843 5.966 -4.101 1.00 71.35 H new ATOM 867 N ARG A 59 9.794 8.629 -4.337 1.00 31.44 N ATOM 868 CA ARG A 59 11.008 9.124 -4.999 1.00 33.42 C ATOM 869 C ARG A 59 12.065 9.560 -3.971 1.00 13.42 C ATOM 870 O ARG A 59 13.262 9.555 -4.259 1.00 55.32 O ATOM 871 CB ARG A 59 10.670 10.296 -5.934 1.00 71.53 C ATOM 872 CG ARG A 59 9.623 9.971 -6.998 1.00 5.35 C ATOM 873 CD ARG A 59 10.137 8.974 -8.030 1.00 0.31 C ATOM 874 NE ARG A 59 9.140 8.709 -9.067 1.00 31.54 N ATOM 875 CZ ARG A 59 9.401 8.643 -10.344 1.00 1.44 C ATOM 876 NH1 ARG A 59 10.614 8.760 -10.783 1.00 21.11 N ATOM 877 NH2 ARG A 59 8.442 8.437 -11.180 1.00 60.44 N ATOM 0 H ARG A 59 8.954 9.172 -4.537 1.00 31.44 H new ATOM 0 HA ARG A 59 11.422 8.306 -5.588 1.00 33.42 H new ATOM 0 HB2 ARG A 59 10.313 11.133 -5.334 1.00 71.53 H new ATOM 0 HB3 ARG A 59 11.584 10.626 -6.429 1.00 71.53 H new ATOM 0 HG2 ARG A 59 8.733 9.566 -6.517 1.00 5.35 H new ATOM 0 HG3 ARG A 59 9.323 10.890 -7.502 1.00 5.35 H new ATOM 0 HD2 ARG A 59 11.046 9.362 -8.489 1.00 0.31 H new ATOM 0 HD3 ARG A 59 10.403 8.041 -7.534 1.00 0.31 H new ATOM 0 HE ARG A 59 8.174 8.566 -8.772 1.00 31.54 H new ATOM 0 HH11 ARG A 59 11.382 8.906 -10.128 1.00 21.11 H new ATOM 0 HH12 ARG A 59 10.801 8.706 -11.784 1.00 21.11 H new ATOM 0 HH21 ARG A 59 7.486 8.327 -10.842 1.00 60.44 H new ATOM 0 HH22 ARG A 59 8.639 8.384 -12.179 1.00 60.44 H new ATOM 891 N LEU A 60 11.610 9.918 -2.770 1.00 30.11 N ATOM 892 CA LEU A 60 12.506 10.333 -1.678 1.00 35.43 C ATOM 893 C LEU A 60 13.412 9.178 -1.222 1.00 63.51 C ATOM 894 O LEU A 60 14.458 9.396 -0.610 1.00 74.31 O ATOM 895 CB LEU A 60 11.681 10.831 -0.484 1.00 12.21 C ATOM 896 CG LEU A 60 10.676 11.949 -0.800 1.00 3.13 C ATOM 897 CD1 LEU A 60 9.861 12.303 0.440 1.00 2.32 C ATOM 898 CD2 LEU A 60 11.389 13.181 -1.353 1.00 22.23 C ATOM 0 H LEU A 60 10.620 9.930 -2.523 1.00 30.11 H new ATOM 0 HA LEU A 60 13.138 11.137 -2.056 1.00 35.43 H new ATOM 0 HB2 LEU A 60 11.138 9.986 -0.061 1.00 12.21 H new ATOM 0 HB3 LEU A 60 12.365 11.187 0.286 1.00 12.21 H new ATOM 0 HG LEU A 60 9.991 11.586 -1.566 1.00 3.13 H new ATOM 0 HD11 LEU A 60 9.155 13.097 0.197 1.00 2.32 H new ATOM 0 HD12 LEU A 60 9.315 11.423 0.780 1.00 2.32 H new ATOM 0 HD13 LEU A 60 10.530 12.643 1.230 1.00 2.32 H new ATOM 0 HD21 LEU A 60 10.657 13.959 -1.569 1.00 22.23 H new ATOM 0 HD22 LEU A 60 12.103 13.549 -0.616 1.00 22.23 H new ATOM 0 HD23 LEU A 60 11.917 12.915 -2.269 1.00 22.23 H new ATOM 910 N TYR A 61 12.985 7.950 -1.506 1.00 11.52 N ATOM 911 CA TYR A 61 13.736 6.748 -1.124 1.00 43.43 C ATOM 912 C TYR A 61 14.379 6.075 -2.351 1.00 50.04 C ATOM 913 O TYR A 61 14.893 4.960 -2.266 1.00 64.04 O ATOM 914 CB TYR A 61 12.798 5.762 -0.406 1.00 42.21 C ATOM 915 CG TYR A 61 12.116 6.348 0.819 1.00 72.25 C ATOM 916 CD1 TYR A 61 10.939 7.081 0.701 1.00 24.11 C ATOM 917 CD2 TYR A 61 12.648 6.168 2.090 1.00 23.42 C ATOM 918 CE1 TYR A 61 10.315 7.615 1.811 1.00 33.24 C ATOM 919 CE2 TYR A 61 12.029 6.699 3.205 1.00 45.42 C ATOM 920 CZ TYR A 61 10.864 7.422 3.061 1.00 10.30 C ATOM 921 OH TYR A 61 10.239 7.948 4.171 1.00 1.44 O ATOM 0 H TYR A 61 12.116 7.756 -2.003 1.00 11.52 H new ATOM 0 HA TYR A 61 14.540 7.044 -0.450 1.00 43.43 H new ATOM 0 HB2 TYR A 61 12.036 5.423 -1.108 1.00 42.21 H new ATOM 0 HB3 TYR A 61 13.369 4.883 -0.107 1.00 42.21 H new ATOM 0 HD1 TYR A 61 10.506 7.235 -0.276 1.00 24.11 H new ATOM 0 HD2 TYR A 61 13.561 5.603 2.208 1.00 23.42 H new ATOM 0 HE1 TYR A 61 9.402 8.181 1.701 1.00 33.24 H new ATOM 0 HE2 TYR A 61 12.456 6.548 4.186 1.00 45.42 H new ATOM 0 HH TYR A 61 9.293 8.107 3.969 1.00 1.44 H new ATOM 931 N GLY A 62 14.356 6.768 -3.490 1.00 31.13 N ATOM 932 CA GLY A 62 14.929 6.223 -4.720 1.00 40.43 C ATOM 933 C GLY A 62 14.011 5.245 -5.453 1.00 15.41 C ATOM 934 O GLY A 62 14.450 4.545 -6.367 1.00 63.04 O ATOM 0 H GLY A 62 13.951 7.699 -3.586 1.00 31.13 H new ATOM 0 HA2 GLY A 62 15.175 7.047 -5.390 1.00 40.43 H new ATOM 0 HA3 GLY A 62 15.864 5.717 -4.480 1.00 40.43 H new ATOM 938 N TYR A 63 12.739 5.189 -5.057 1.00 74.25 N ATOM 939 CA TYR A 63 11.760 4.307 -5.710 1.00 75.05 C ATOM 940 C TYR A 63 10.873 5.090 -6.689 1.00 32.41 C ATOM 941 O TYR A 63 10.363 6.161 -6.362 1.00 34.53 O ATOM 942 CB TYR A 63 10.901 3.587 -4.658 1.00 62.13 C ATOM 943 CG TYR A 63 11.692 2.592 -3.830 1.00 42.32 C ATOM 944 CD1 TYR A 63 12.383 2.993 -2.693 1.00 44.44 C ATOM 945 CD2 TYR A 63 11.759 1.251 -4.197 1.00 2.43 C ATOM 946 CE1 TYR A 63 13.119 2.090 -1.948 1.00 42.44 C ATOM 947 CE2 TYR A 63 12.488 0.343 -3.455 1.00 74.34 C ATOM 948 CZ TYR A 63 13.167 0.767 -2.333 1.00 41.22 C ATOM 949 OH TYR A 63 13.908 -0.133 -1.598 1.00 61.33 O ATOM 0 H TYR A 63 12.359 5.742 -4.289 1.00 74.25 H new ATOM 0 HA TYR A 63 12.309 3.559 -6.282 1.00 75.05 H new ATOM 0 HB2 TYR A 63 10.451 4.327 -3.996 1.00 62.13 H new ATOM 0 HB3 TYR A 63 10.083 3.067 -5.158 1.00 62.13 H new ATOM 0 HD1 TYR A 63 12.345 4.028 -2.386 1.00 44.44 H new ATOM 0 HD2 TYR A 63 11.232 0.915 -5.077 1.00 2.43 H new ATOM 0 HE1 TYR A 63 13.653 2.419 -1.069 1.00 42.44 H new ATOM 0 HE2 TYR A 63 12.526 -0.695 -3.752 1.00 74.34 H new ATOM 0 HH TYR A 63 13.836 -1.023 -2.002 1.00 61.33 H new ATOM 959 N LYS A 64 10.689 4.539 -7.889 1.00 74.11 N ATOM 960 CA LYS A 64 9.974 5.234 -8.968 1.00 24.22 C ATOM 961 C LYS A 64 8.451 5.267 -8.750 1.00 21.44 C ATOM 962 O LYS A 64 7.741 6.023 -9.418 1.00 13.33 O ATOM 963 CB LYS A 64 10.302 4.579 -10.318 1.00 12.11 C ATOM 964 CG LYS A 64 11.793 4.596 -10.652 1.00 20.22 C ATOM 965 CD LYS A 64 12.100 3.892 -11.971 1.00 50.12 C ATOM 966 CE LYS A 64 11.418 4.566 -13.153 1.00 14.32 C ATOM 967 NZ LYS A 64 11.793 3.934 -14.444 1.00 62.13 N ATOM 0 H LYS A 64 11.025 3.610 -8.142 1.00 74.11 H new ATOM 0 HA LYS A 64 10.315 6.269 -8.965 1.00 24.22 H new ATOM 0 HB2 LYS A 64 9.951 3.547 -10.308 1.00 12.11 H new ATOM 0 HB3 LYS A 64 9.754 5.095 -11.107 1.00 12.11 H new ATOM 0 HG2 LYS A 64 12.139 5.628 -10.705 1.00 20.22 H new ATOM 0 HG3 LYS A 64 12.349 4.114 -9.848 1.00 20.22 H new ATOM 0 HD2 LYS A 64 13.178 3.881 -12.133 1.00 50.12 H new ATOM 0 HD3 LYS A 64 11.776 2.853 -11.911 1.00 50.12 H new ATOM 0 HE2 LYS A 64 10.337 4.516 -13.025 1.00 14.32 H new ATOM 0 HE3 LYS A 64 11.688 5.622 -13.174 1.00 14.32 H new ATOM 0 HZ1 LYS A 64 11.307 4.422 -15.223 1.00 62.13 H new ATOM 0 HZ2 LYS A 64 12.822 4.004 -14.579 1.00 62.13 H new ATOM 0 HZ3 LYS A 64 11.513 2.933 -14.435 1.00 62.13 H new ATOM 981 N LYS A 65 7.949 4.439 -7.834 1.00 53.44 N ATOM 982 CA LYS A 65 6.523 4.455 -7.475 1.00 60.44 C ATOM 983 C LYS A 65 6.244 3.655 -6.192 1.00 42.12 C ATOM 984 O LYS A 65 7.025 2.785 -5.801 1.00 52.15 O ATOM 985 CB LYS A 65 5.648 3.926 -8.625 1.00 75.02 C ATOM 986 CG LYS A 65 5.987 2.512 -9.095 1.00 52.00 C ATOM 987 CD LYS A 65 4.927 1.980 -10.060 1.00 74.22 C ATOM 988 CE LYS A 65 4.712 2.914 -11.251 1.00 32.04 C ATOM 989 NZ LYS A 65 3.500 2.551 -12.030 1.00 32.41 N ATOM 0 H LYS A 65 8.503 3.749 -7.326 1.00 53.44 H new ATOM 0 HA LYS A 65 6.262 5.497 -7.288 1.00 60.44 H new ATOM 0 HB2 LYS A 65 4.605 3.947 -8.308 1.00 75.02 H new ATOM 0 HB3 LYS A 65 5.738 4.606 -9.472 1.00 75.02 H new ATOM 0 HG2 LYS A 65 6.961 2.513 -9.585 1.00 52.00 H new ATOM 0 HG3 LYS A 65 6.064 1.848 -8.234 1.00 52.00 H new ATOM 0 HD2 LYS A 65 5.227 0.996 -10.421 1.00 74.22 H new ATOM 0 HD3 LYS A 65 3.985 1.850 -9.527 1.00 74.22 H new ATOM 0 HE2 LYS A 65 4.621 3.940 -10.895 1.00 32.04 H new ATOM 0 HE3 LYS A 65 5.586 2.879 -11.902 1.00 32.04 H new ATOM 0 HZ1 LYS A 65 3.391 3.209 -12.828 1.00 32.41 H new ATOM 0 HZ2 LYS A 65 3.597 1.581 -12.391 1.00 32.41 H new ATOM 0 HZ3 LYS A 65 2.662 2.609 -11.416 1.00 32.41 H new ATOM 1003 N LEU A 66 5.107 3.953 -5.561 1.00 74.32 N ATOM 1004 CA LEU A 66 4.724 3.336 -4.283 1.00 64.24 C ATOM 1005 C LEU A 66 4.645 1.803 -4.381 1.00 33.33 C ATOM 1006 O LEU A 66 5.015 1.095 -3.445 1.00 52.11 O ATOM 1007 CB LEU A 66 3.376 3.905 -3.813 1.00 51.02 C ATOM 1008 CG LEU A 66 2.906 3.437 -2.424 1.00 74.25 C ATOM 1009 CD1 LEU A 66 3.883 3.890 -1.338 1.00 22.24 C ATOM 1010 CD2 LEU A 66 1.496 3.948 -2.130 1.00 74.12 C ATOM 0 H LEU A 66 4.427 4.625 -5.916 1.00 74.32 H new ATOM 0 HA LEU A 66 5.499 3.576 -3.555 1.00 64.24 H new ATOM 0 HB2 LEU A 66 3.443 4.993 -3.807 1.00 51.02 H new ATOM 0 HB3 LEU A 66 2.614 3.637 -4.544 1.00 51.02 H new ATOM 0 HG LEU A 66 2.881 2.347 -2.424 1.00 74.25 H new ATOM 0 HD11 LEU A 66 3.530 3.548 -0.365 1.00 22.24 H new ATOM 0 HD12 LEU A 66 4.868 3.468 -1.536 1.00 22.24 H new ATOM 0 HD13 LEU A 66 3.948 4.978 -1.338 1.00 22.24 H new ATOM 0 HD21 LEU A 66 1.183 3.606 -1.143 1.00 74.12 H new ATOM 0 HD22 LEU A 66 1.491 5.038 -2.154 1.00 74.12 H new ATOM 0 HD23 LEU A 66 0.806 3.565 -2.882 1.00 74.12 H new ATOM 1022 N SER A 67 4.168 1.304 -5.521 1.00 52.33 N ATOM 1023 CA SER A 67 4.039 -0.145 -5.756 1.00 22.32 C ATOM 1024 C SER A 67 5.355 -0.888 -5.479 1.00 5.12 C ATOM 1025 O SER A 67 5.359 -1.997 -4.946 1.00 34.53 O ATOM 1026 CB SER A 67 3.606 -0.404 -7.207 1.00 75.04 C ATOM 1027 OG SER A 67 2.456 0.356 -7.545 1.00 54.32 O ATOM 0 H SER A 67 3.861 1.881 -6.304 1.00 52.33 H new ATOM 0 HA SER A 67 3.284 -0.523 -5.066 1.00 22.32 H new ATOM 0 HB2 SER A 67 4.423 -0.152 -7.883 1.00 75.04 H new ATOM 0 HB3 SER A 67 3.396 -1.465 -7.342 1.00 75.04 H new ATOM 0 HG SER A 67 2.204 0.173 -8.474 1.00 54.32 H new ATOM 1033 N ASP A 68 6.472 -0.258 -5.840 1.00 31.33 N ATOM 1034 CA ASP A 68 7.800 -0.860 -5.669 1.00 44.21 C ATOM 1035 C ASP A 68 8.315 -0.668 -4.228 1.00 34.32 C ATOM 1036 O ASP A 68 8.997 -1.536 -3.676 1.00 33.30 O ATOM 1037 CB ASP A 68 8.770 -0.238 -6.685 1.00 31.24 C ATOM 1038 CG ASP A 68 10.112 -0.948 -6.745 1.00 1.03 C ATOM 1039 OD1 ASP A 68 10.150 -2.183 -6.567 1.00 42.41 O ATOM 1040 OD2 ASP A 68 11.134 -0.278 -7.002 1.00 42.53 O ATOM 0 H ASP A 68 6.487 0.674 -6.255 1.00 31.33 H new ATOM 0 HA ASP A 68 7.731 -1.933 -5.848 1.00 44.21 H new ATOM 0 HB2 ASP A 68 8.312 -0.257 -7.674 1.00 31.24 H new ATOM 0 HB3 ASP A 68 8.932 0.809 -6.429 1.00 31.24 H new ATOM 1045 N LEU A 69 7.963 0.466 -3.624 1.00 62.51 N ATOM 1046 CA LEU A 69 8.357 0.770 -2.241 1.00 4.14 C ATOM 1047 C LEU A 69 7.682 -0.179 -1.236 1.00 61.24 C ATOM 1048 O LEU A 69 8.342 -0.744 -0.360 1.00 52.30 O ATOM 1049 CB LEU A 69 7.997 2.224 -1.899 1.00 24.12 C ATOM 1050 CG LEU A 69 8.294 2.652 -0.449 1.00 14.10 C ATOM 1051 CD1 LEU A 69 9.796 2.704 -0.190 1.00 34.32 C ATOM 1052 CD2 LEU A 69 7.638 3.992 -0.135 1.00 2.41 C ATOM 0 H LEU A 69 7.404 1.194 -4.069 1.00 62.51 H new ATOM 0 HA LEU A 69 9.435 0.630 -2.167 1.00 4.14 H new ATOM 0 HB2 LEU A 69 8.542 2.884 -2.574 1.00 24.12 H new ATOM 0 HB3 LEU A 69 6.935 2.374 -2.094 1.00 24.12 H new ATOM 0 HG LEU A 69 7.867 1.903 0.218 1.00 14.10 H new ATOM 0 HD11 LEU A 69 9.977 3.009 0.841 1.00 34.32 H new ATOM 0 HD12 LEU A 69 10.229 1.718 -0.358 1.00 34.32 H new ATOM 0 HD13 LEU A 69 10.257 3.423 -0.867 1.00 34.32 H new ATOM 0 HD21 LEU A 69 7.861 4.274 0.894 1.00 2.41 H new ATOM 0 HD22 LEU A 69 8.024 4.754 -0.812 1.00 2.41 H new ATOM 0 HD23 LEU A 69 6.559 3.907 -0.262 1.00 2.41 H new ATOM 1064 N VAL A 70 6.367 -0.347 -1.367 1.00 63.42 N ATOM 1065 CA VAL A 70 5.596 -1.205 -0.456 1.00 20.11 C ATOM 1066 C VAL A 70 6.177 -2.627 -0.388 1.00 22.15 C ATOM 1067 O VAL A 70 6.481 -3.133 0.693 1.00 72.45 O ATOM 1068 CB VAL A 70 4.103 -1.279 -0.871 1.00 41.01 C ATOM 1069 CG1 VAL A 70 3.324 -2.230 0.036 1.00 21.44 C ATOM 1070 CG2 VAL A 70 3.468 0.111 -0.860 1.00 21.23 C ATOM 0 H VAL A 70 5.809 0.099 -2.095 1.00 63.42 H new ATOM 0 HA VAL A 70 5.666 -0.749 0.532 1.00 20.11 H new ATOM 0 HB VAL A 70 4.060 -1.671 -1.887 1.00 41.01 H new ATOM 0 HG11 VAL A 70 2.281 -2.261 -0.279 1.00 21.44 H new ATOM 0 HG12 VAL A 70 3.753 -3.230 -0.031 1.00 21.44 H new ATOM 0 HG13 VAL A 70 3.381 -1.879 1.066 1.00 21.44 H new ATOM 0 HG21 VAL A 70 2.421 0.035 -1.154 1.00 21.23 H new ATOM 0 HG22 VAL A 70 3.533 0.533 0.143 1.00 21.23 H new ATOM 0 HG23 VAL A 70 3.996 0.758 -1.561 1.00 21.23 H new ATOM 1080 N LYS A 71 6.345 -3.262 -1.549 1.00 62.13 N ATOM 1081 CA LYS A 71 6.910 -4.615 -1.606 1.00 2.15 C ATOM 1082 C LYS A 71 8.376 -4.636 -1.140 1.00 33.33 C ATOM 1083 O LYS A 71 8.893 -5.679 -0.749 1.00 73.12 O ATOM 1084 CB LYS A 71 6.797 -5.200 -3.023 1.00 25.41 C ATOM 1085 CG LYS A 71 7.541 -4.401 -4.090 1.00 33.54 C ATOM 1086 CD LYS A 71 7.562 -5.123 -5.435 1.00 33.34 C ATOM 1087 CE LYS A 71 8.291 -6.460 -5.343 1.00 25.35 C ATOM 1088 NZ LYS A 71 8.293 -7.185 -6.638 1.00 75.12 N ATOM 0 H LYS A 71 6.101 -2.867 -2.457 1.00 62.13 H new ATOM 0 HA LYS A 71 6.329 -5.236 -0.924 1.00 2.15 H new ATOM 0 HB2 LYS A 71 7.181 -6.220 -3.015 1.00 25.41 H new ATOM 0 HB3 LYS A 71 5.744 -5.258 -3.297 1.00 25.41 H new ATOM 0 HG2 LYS A 71 7.067 -3.427 -4.209 1.00 33.54 H new ATOM 0 HG3 LYS A 71 8.564 -4.220 -3.760 1.00 33.54 H new ATOM 0 HD2 LYS A 71 6.540 -5.288 -5.776 1.00 33.34 H new ATOM 0 HD3 LYS A 71 8.049 -4.493 -6.179 1.00 33.34 H new ATOM 0 HE2 LYS A 71 9.319 -6.291 -5.021 1.00 25.35 H new ATOM 0 HE3 LYS A 71 7.817 -7.079 -4.582 1.00 25.35 H new ATOM 0 HZ1 LYS A 71 8.799 -8.087 -6.530 1.00 75.12 H new ATOM 0 HZ2 LYS A 71 7.313 -7.370 -6.934 1.00 75.12 H new ATOM 0 HZ3 LYS A 71 8.769 -6.606 -7.359 1.00 75.12 H new ATOM 1102 N ALA A 72 9.043 -3.483 -1.189 1.00 14.45 N ATOM 1103 CA ALA A 72 10.423 -3.369 -0.710 1.00 24.43 C ATOM 1104 C ALA A 72 10.489 -3.358 0.825 1.00 50.14 C ATOM 1105 O ALA A 72 11.527 -3.661 1.415 1.00 61.21 O ATOM 1106 CB ALA A 72 11.072 -2.112 -1.273 1.00 74.11 C ATOM 0 H ALA A 72 8.652 -2.615 -1.555 1.00 14.45 H new ATOM 0 HA ALA A 72 10.971 -4.244 -1.060 1.00 24.43 H new ATOM 0 HB1 ALA A 72 12.097 -2.038 -0.910 1.00 74.11 H new ATOM 0 HB2 ALA A 72 11.075 -2.161 -2.362 1.00 74.11 H new ATOM 0 HB3 ALA A 72 10.509 -1.236 -0.951 1.00 74.11 H new ATOM 1112 N ARG A 73 9.378 -2.999 1.468 1.00 35.35 N ATOM 1113 CA ARG A 73 9.311 -2.943 2.934 1.00 1.42 C ATOM 1114 C ARG A 73 8.356 -4.011 3.493 1.00 61.14 C ATOM 1115 O ARG A 73 7.516 -3.724 4.351 1.00 35.00 O ATOM 1116 CB ARG A 73 8.873 -1.542 3.397 1.00 43.01 C ATOM 1117 CG ARG A 73 9.771 -0.412 2.900 1.00 60.20 C ATOM 1118 CD ARG A 73 11.237 -0.636 3.271 1.00 41.04 C ATOM 1119 NE ARG A 73 11.448 -0.720 4.721 1.00 3.30 N ATOM 1120 CZ ARG A 73 12.621 -0.880 5.284 1.00 61.44 C ATOM 1121 NH1 ARG A 73 13.686 -1.028 4.559 1.00 2.53 N ATOM 1122 NH2 ARG A 73 12.726 -0.923 6.572 1.00 65.04 N ATOM 0 H ARG A 73 8.510 -2.742 0.999 1.00 35.35 H new ATOM 0 HA ARG A 73 10.309 -3.149 3.321 1.00 1.42 H new ATOM 0 HB2 ARG A 73 7.855 -1.360 3.054 1.00 43.01 H new ATOM 0 HB3 ARG A 73 8.851 -1.522 4.487 1.00 43.01 H new ATOM 0 HG2 ARG A 73 9.681 -0.327 1.817 1.00 60.20 H new ATOM 0 HG3 ARG A 73 9.431 0.533 3.323 1.00 60.20 H new ATOM 0 HD2 ARG A 73 11.590 -1.555 2.803 1.00 41.04 H new ATOM 0 HD3 ARG A 73 11.838 0.179 2.867 1.00 41.04 H new ATOM 0 HE ARG A 73 10.631 -0.650 5.328 1.00 3.30 H new ATOM 0 HH11 ARG A 73 13.615 -1.021 3.541 1.00 2.53 H new ATOM 0 HH12 ARG A 73 14.594 -1.152 5.006 1.00 2.53 H new ATOM 0 HH21 ARG A 73 11.894 -0.832 7.155 1.00 65.04 H new ATOM 0 HH22 ARG A 73 13.641 -1.048 7.005 1.00 65.04 H new ATOM 1136 N THR A 74 8.518 -5.255 3.026 1.00 40.31 N ATOM 1137 CA THR A 74 7.702 -6.388 3.506 1.00 34.11 C ATOM 1138 C THR A 74 7.784 -6.551 5.029 1.00 21.43 C ATOM 1139 O THR A 74 6.965 -7.241 5.638 1.00 62.15 O ATOM 1140 CB THR A 74 8.126 -7.722 2.849 1.00 52.22 C ATOM 1141 OG1 THR A 74 9.526 -7.959 3.067 1.00 23.04 O ATOM 1142 CG2 THR A 74 7.835 -7.715 1.353 1.00 4.23 C ATOM 0 H THR A 74 9.206 -5.507 2.316 1.00 40.31 H new ATOM 0 HA THR A 74 6.676 -6.153 3.223 1.00 34.11 H new ATOM 0 HB THR A 74 7.546 -8.522 3.310 1.00 52.22 H new ATOM 0 HG1 THR A 74 9.783 -8.807 2.648 1.00 23.04 H new ATOM 0 HG21 THR A 74 8.144 -8.666 0.918 1.00 4.23 H new ATOM 0 HG22 THR A 74 6.767 -7.571 1.191 1.00 4.23 H new ATOM 0 HG23 THR A 74 8.386 -6.903 0.879 1.00 4.23 H new ATOM 1150 N ASP A 75 8.794 -5.925 5.630 1.00 53.21 N ATOM 1151 CA ASP A 75 8.927 -5.860 7.085 1.00 33.13 C ATOM 1152 C ASP A 75 7.628 -5.348 7.735 1.00 41.42 C ATOM 1153 O ASP A 75 7.091 -5.966 8.658 1.00 72.52 O ATOM 1154 CB ASP A 75 10.098 -4.936 7.444 1.00 34.23 C ATOM 1155 CG ASP A 75 10.340 -4.844 8.939 1.00 41.13 C ATOM 1156 OD1 ASP A 75 10.803 -5.842 9.528 1.00 41.24 O ATOM 1157 OD2 ASP A 75 10.082 -3.770 9.526 1.00 44.12 O ATOM 0 H ASP A 75 9.541 -5.450 5.124 1.00 53.21 H new ATOM 0 HA ASP A 75 9.120 -6.863 7.467 1.00 33.13 H new ATOM 0 HB2 ASP A 75 11.003 -5.298 6.956 1.00 34.23 H new ATOM 0 HB3 ASP A 75 9.901 -3.939 7.051 1.00 34.23 H new ATOM 1162 N LEU A 76 7.125 -4.229 7.221 1.00 74.44 N ATOM 1163 CA LEU A 76 5.903 -3.604 7.736 1.00 1.35 C ATOM 1164 C LEU A 76 4.663 -4.025 6.932 1.00 74.43 C ATOM 1165 O LEU A 76 3.601 -4.299 7.499 1.00 53.10 O ATOM 1166 CB LEU A 76 6.041 -2.075 7.683 1.00 54.11 C ATOM 1167 CG LEU A 76 7.213 -1.488 8.486 1.00 31.52 C ATOM 1168 CD1 LEU A 76 7.350 0.009 8.223 1.00 53.22 C ATOM 1169 CD2 LEU A 76 7.030 -1.761 9.976 1.00 72.21 C ATOM 0 H LEU A 76 7.548 -3.729 6.439 1.00 74.44 H new ATOM 0 HA LEU A 76 5.771 -3.938 8.765 1.00 1.35 H new ATOM 0 HB2 LEU A 76 6.150 -1.773 6.641 1.00 54.11 H new ATOM 0 HB3 LEU A 76 5.115 -1.631 8.048 1.00 54.11 H new ATOM 0 HG LEU A 76 8.132 -1.975 8.159 1.00 31.52 H new ATOM 0 HD11 LEU A 76 8.185 0.405 8.801 1.00 53.22 H new ATOM 0 HD12 LEU A 76 7.531 0.177 7.161 1.00 53.22 H new ATOM 0 HD13 LEU A 76 6.431 0.516 8.519 1.00 53.22 H new ATOM 0 HD21 LEU A 76 7.869 -1.338 10.529 1.00 72.21 H new ATOM 0 HD22 LEU A 76 6.102 -1.303 10.319 1.00 72.21 H new ATOM 0 HD23 LEU A 76 6.988 -2.837 10.146 1.00 72.21 H new ATOM 1181 N PHE A 77 4.805 -4.067 5.609 1.00 4.54 N ATOM 1182 CA PHE A 77 3.662 -4.279 4.715 1.00 41.43 C ATOM 1183 C PHE A 77 3.660 -5.693 4.114 1.00 3.14 C ATOM 1184 O PHE A 77 4.620 -6.105 3.465 1.00 44.22 O ATOM 1185 CB PHE A 77 3.692 -3.239 3.581 1.00 11.14 C ATOM 1186 CG PHE A 77 3.904 -1.822 4.065 1.00 3.53 C ATOM 1187 CD1 PHE A 77 3.141 -1.307 5.103 1.00 31.24 C ATOM 1188 CD2 PHE A 77 4.876 -1.010 3.489 1.00 70.13 C ATOM 1189 CE1 PHE A 77 3.347 -0.020 5.560 1.00 34.22 C ATOM 1190 CE2 PHE A 77 5.082 0.279 3.942 1.00 40.24 C ATOM 1191 CZ PHE A 77 4.319 0.772 4.979 1.00 70.13 C ATOM 0 H PHE A 77 5.699 -3.957 5.130 1.00 4.54 H new ATOM 0 HA PHE A 77 2.753 -4.165 5.306 1.00 41.43 H new ATOM 0 HB2 PHE A 77 4.487 -3.498 2.882 1.00 11.14 H new ATOM 0 HB3 PHE A 77 2.754 -3.289 3.029 1.00 11.14 H new ATOM 0 HD1 PHE A 77 2.377 -1.919 5.559 1.00 31.24 H new ATOM 0 HD2 PHE A 77 5.477 -1.392 2.677 1.00 70.13 H new ATOM 0 HE1 PHE A 77 2.749 0.367 6.371 1.00 34.22 H new ATOM 0 HE2 PHE A 77 5.839 0.899 3.485 1.00 40.24 H new ATOM 0 HZ PHE A 77 4.481 1.778 5.338 1.00 70.13 H new ATOM 1201 N VAL A 78 2.575 -6.432 4.325 1.00 22.30 N ATOM 1202 CA VAL A 78 2.414 -7.750 3.704 1.00 54.11 C ATOM 1203 C VAL A 78 1.791 -7.607 2.310 1.00 42.13 C ATOM 1204 O VAL A 78 0.680 -7.088 2.170 1.00 61.23 O ATOM 1205 CB VAL A 78 1.526 -8.682 4.567 1.00 65.35 C ATOM 1206 CG1 VAL A 78 1.356 -10.051 3.904 1.00 64.03 C ATOM 1207 CG2 VAL A 78 2.103 -8.824 5.975 1.00 20.23 C ATOM 0 H VAL A 78 1.796 -6.146 4.918 1.00 22.30 H new ATOM 0 HA VAL A 78 3.405 -8.196 3.622 1.00 54.11 H new ATOM 0 HB VAL A 78 0.538 -8.228 4.648 1.00 65.35 H new ATOM 0 HG11 VAL A 78 0.729 -10.684 4.532 1.00 64.03 H new ATOM 0 HG12 VAL A 78 0.886 -9.927 2.929 1.00 64.03 H new ATOM 0 HG13 VAL A 78 2.333 -10.518 3.779 1.00 64.03 H new ATOM 0 HG21 VAL A 78 1.465 -9.482 6.565 1.00 20.23 H new ATOM 0 HG22 VAL A 78 3.106 -9.247 5.916 1.00 20.23 H new ATOM 0 HG23 VAL A 78 2.150 -7.844 6.449 1.00 20.23 H new ATOM 1217 N THR A 79 2.496 -8.075 1.282 1.00 1.31 N ATOM 1218 CA THR A 79 2.041 -7.902 -0.103 1.00 1.31 C ATOM 1219 C THR A 79 1.705 -9.247 -0.755 1.00 53.54 C ATOM 1220 O THR A 79 2.531 -10.160 -0.773 1.00 75.11 O ATOM 1221 CB THR A 79 3.132 -7.208 -0.964 1.00 30.20 C ATOM 1222 OG1 THR A 79 4.308 -8.035 -1.053 1.00 61.43 O ATOM 1223 CG2 THR A 79 3.517 -5.854 -0.376 1.00 72.22 C ATOM 0 H THR A 79 3.380 -8.575 1.377 1.00 1.31 H new ATOM 0 HA THR A 79 1.145 -7.282 -0.062 1.00 1.31 H new ATOM 0 HB THR A 79 2.716 -7.057 -1.960 1.00 30.20 H new ATOM 0 HG1 THR A 79 4.044 -8.979 -1.064 1.00 61.43 H new ATOM 0 HG21 THR A 79 4.282 -5.391 -0.999 1.00 72.22 H new ATOM 0 HG22 THR A 79 2.639 -5.209 -0.341 1.00 72.22 H new ATOM 0 HG23 THR A 79 3.906 -5.993 0.633 1.00 72.22 H new ATOM 1231 N GLU A 80 0.499 -9.350 -1.315 1.00 52.14 N ATOM 1232 CA GLU A 80 0.044 -10.567 -2.010 1.00 11.22 C ATOM 1233 C GLU A 80 -0.942 -10.203 -3.134 1.00 61.42 C ATOM 1234 O GLU A 80 -1.845 -9.382 -2.946 1.00 21.42 O ATOM 1235 CB GLU A 80 -0.609 -11.552 -1.017 1.00 20.30 C ATOM 1236 CG GLU A 80 0.380 -12.205 -0.042 1.00 75.13 C ATOM 1237 CD GLU A 80 -0.296 -13.032 1.045 1.00 64.34 C ATOM 1238 OE1 GLU A 80 -0.854 -14.104 0.726 1.00 2.44 O ATOM 1239 OE2 GLU A 80 -0.255 -12.621 2.227 1.00 42.52 O ATOM 0 H GLU A 80 -0.191 -8.599 -1.303 1.00 52.14 H new ATOM 0 HA GLU A 80 0.912 -11.055 -2.452 1.00 11.22 H new ATOM 0 HB2 GLU A 80 -1.371 -11.023 -0.445 1.00 20.30 H new ATOM 0 HB3 GLU A 80 -1.118 -12.334 -1.580 1.00 20.30 H new ATOM 0 HG2 GLU A 80 1.062 -12.844 -0.602 1.00 75.13 H new ATOM 0 HG3 GLU A 80 0.984 -11.427 0.426 1.00 75.13 H new ATOM 1246 N GLU A 81 -0.768 -10.812 -4.300 1.00 31.41 N ATOM 1247 CA GLU A 81 -1.564 -10.460 -5.479 1.00 65.41 C ATOM 1248 C GLU A 81 -2.867 -11.274 -5.556 1.00 31.32 C ATOM 1249 O GLU A 81 -2.871 -12.491 -5.361 1.00 31.53 O ATOM 1250 CB GLU A 81 -0.744 -10.689 -6.750 1.00 5.33 C ATOM 1251 CG GLU A 81 0.589 -9.947 -6.786 1.00 71.32 C ATOM 1252 CD GLU A 81 1.396 -10.279 -8.031 1.00 4.24 C ATOM 1253 OE1 GLU A 81 1.910 -11.419 -8.121 1.00 24.14 O ATOM 1254 OE2 GLU A 81 1.511 -9.419 -8.928 1.00 5.23 O ATOM 0 H GLU A 81 -0.084 -11.552 -4.459 1.00 31.41 H new ATOM 0 HA GLU A 81 -1.830 -9.407 -5.391 1.00 65.41 H new ATOM 0 HB2 GLU A 81 -0.554 -11.757 -6.857 1.00 5.33 H new ATOM 0 HB3 GLU A 81 -1.339 -10.383 -7.611 1.00 5.33 H new ATOM 0 HG2 GLU A 81 0.406 -8.873 -6.749 1.00 71.32 H new ATOM 0 HG3 GLU A 81 1.170 -10.203 -5.900 1.00 71.32 H new ATOM 1261 N ARG A 82 -3.969 -10.591 -5.864 1.00 31.01 N ATOM 1262 CA ARG A 82 -5.284 -11.230 -6.002 1.00 60.40 C ATOM 1263 C ARG A 82 -5.876 -10.942 -7.392 1.00 44.13 C ATOM 1264 O ARG A 82 -5.832 -9.809 -7.867 1.00 21.13 O ATOM 1265 CB ARG A 82 -6.243 -10.713 -4.914 1.00 44.11 C ATOM 1266 CG ARG A 82 -5.752 -10.932 -3.482 1.00 25.44 C ATOM 1267 CD ARG A 82 -5.651 -12.415 -3.135 1.00 52.43 C ATOM 1268 NE ARG A 82 -6.941 -13.095 -3.262 1.00 1.24 N ATOM 1269 CZ ARG A 82 -7.099 -14.391 -3.232 1.00 25.45 C ATOM 1270 NH1 ARG A 82 -6.091 -15.180 -3.044 1.00 40.33 N ATOM 1271 NH2 ARG A 82 -8.277 -14.901 -3.372 1.00 43.55 N ATOM 0 H ARG A 82 -3.979 -9.584 -6.025 1.00 31.01 H new ATOM 0 HA ARG A 82 -5.158 -12.306 -5.886 1.00 60.40 H new ATOM 0 HB2 ARG A 82 -6.408 -9.647 -5.069 1.00 44.11 H new ATOM 0 HB3 ARG A 82 -7.208 -11.206 -5.034 1.00 44.11 H new ATOM 0 HG2 ARG A 82 -4.776 -10.463 -3.357 1.00 25.44 H new ATOM 0 HG3 ARG A 82 -6.433 -10.442 -2.786 1.00 25.44 H new ATOM 0 HD2 ARG A 82 -4.923 -12.892 -3.791 1.00 52.43 H new ATOM 0 HD3 ARG A 82 -5.282 -12.525 -2.115 1.00 52.43 H new ATOM 0 HE ARG A 82 -7.773 -12.517 -3.382 1.00 1.24 H new ATOM 0 HH11 ARG A 82 -5.156 -14.792 -2.917 1.00 40.33 H new ATOM 0 HH12 ARG A 82 -6.231 -16.190 -3.023 1.00 40.33 H new ATOM 0 HH21 ARG A 82 -9.084 -14.292 -3.506 1.00 43.55 H new ATOM 0 HH22 ARG A 82 -8.401 -15.913 -3.349 1.00 43.55 H new ATOM 1285 N GLN A 83 -6.426 -11.962 -8.048 1.00 63.53 N ATOM 1286 CA GLN A 83 -7.031 -11.776 -9.375 1.00 41.44 C ATOM 1287 C GLN A 83 -8.446 -11.187 -9.245 1.00 22.35 C ATOM 1288 O GLN A 83 -9.244 -11.638 -8.421 1.00 1.03 O ATOM 1289 CB GLN A 83 -7.064 -13.105 -10.142 1.00 3.04 C ATOM 1290 CG GLN A 83 -7.449 -12.951 -11.613 1.00 1.34 C ATOM 1291 CD GLN A 83 -7.375 -14.257 -12.386 1.00 62.12 C ATOM 1292 OE1 GLN A 83 -7.595 -15.332 -11.838 1.00 15.02 O ATOM 1293 NE2 GLN A 83 -7.056 -14.174 -13.664 1.00 22.02 N ATOM 0 H GLN A 83 -6.468 -12.917 -7.692 1.00 63.53 H new ATOM 0 HA GLN A 83 -6.419 -11.072 -9.938 1.00 41.44 H new ATOM 0 HB2 GLN A 83 -6.083 -13.576 -10.079 1.00 3.04 H new ATOM 0 HB3 GLN A 83 -7.772 -13.777 -9.658 1.00 3.04 H new ATOM 0 HG2 GLN A 83 -8.462 -12.554 -11.678 1.00 1.34 H new ATOM 0 HG3 GLN A 83 -6.789 -12.220 -12.081 1.00 1.34 H new ATOM 0 HE21 GLN A 83 -6.880 -13.263 -14.087 1.00 22.02 H new ATOM 0 HE22 GLN A 83 -6.986 -15.021 -14.228 1.00 22.02 H new ATOM 1302 N VAL A 84 -8.763 -10.208 -10.089 1.00 35.10 N ATOM 1303 CA VAL A 84 -9.976 -9.396 -9.920 1.00 23.03 C ATOM 1304 C VAL A 84 -11.210 -10.010 -10.617 1.00 62.45 C ATOM 1305 O VAL A 84 -11.241 -10.137 -11.843 1.00 3.30 O ATOM 1306 CB VAL A 84 -9.743 -7.967 -10.474 1.00 32.01 C ATOM 1307 CG1 VAL A 84 -10.955 -7.072 -10.221 1.00 34.43 C ATOM 1308 CG2 VAL A 84 -8.480 -7.355 -9.872 1.00 12.40 C ATOM 0 H VAL A 84 -8.199 -9.954 -10.900 1.00 35.10 H new ATOM 0 HA VAL A 84 -10.181 -9.363 -8.850 1.00 23.03 H new ATOM 0 HB VAL A 84 -9.606 -8.043 -11.553 1.00 32.01 H new ATOM 0 HG11 VAL A 84 -10.762 -6.076 -10.621 1.00 34.43 H new ATOM 0 HG12 VAL A 84 -11.830 -7.497 -10.713 1.00 34.43 H new ATOM 0 HG13 VAL A 84 -11.139 -7.003 -9.149 1.00 34.43 H new ATOM 0 HG21 VAL A 84 -8.334 -6.352 -10.274 1.00 12.40 H new ATOM 0 HG22 VAL A 84 -8.583 -7.300 -8.788 1.00 12.40 H new ATOM 0 HG23 VAL A 84 -7.620 -7.975 -10.124 1.00 12.40 H new ATOM 1318 N PRO A 85 -12.249 -10.397 -9.838 1.00 62.43 N ATOM 1319 CA PRO A 85 -13.515 -10.921 -10.394 1.00 32.22 C ATOM 1320 C PRO A 85 -14.179 -9.938 -11.374 1.00 21.53 C ATOM 1321 O PRO A 85 -14.379 -8.762 -11.052 1.00 61.53 O ATOM 1322 CB PRO A 85 -14.397 -11.124 -9.150 1.00 30.44 C ATOM 1323 CG PRO A 85 -13.433 -11.259 -8.020 1.00 21.32 C ATOM 1324 CD PRO A 85 -12.271 -10.368 -8.362 1.00 2.21 C ATOM 0 HA PRO A 85 -13.358 -11.831 -10.973 1.00 32.22 H new ATOM 0 HB2 PRO A 85 -15.069 -10.279 -8.999 1.00 30.44 H new ATOM 0 HB3 PRO A 85 -15.020 -12.013 -9.247 1.00 30.44 H new ATOM 0 HG2 PRO A 85 -13.891 -10.959 -7.078 1.00 21.32 H new ATOM 0 HG3 PRO A 85 -13.111 -12.294 -7.903 1.00 21.32 H new ATOM 0 HD2 PRO A 85 -12.413 -9.357 -7.981 1.00 2.21 H new ATOM 0 HD3 PRO A 85 -11.339 -10.741 -7.938 1.00 2.21 H new ATOM 1332 N GLY A 86 -14.519 -10.420 -12.567 1.00 14.33 N ATOM 1333 CA GLY A 86 -15.062 -9.550 -13.607 1.00 3.41 C ATOM 1334 C GLY A 86 -13.975 -8.999 -14.524 1.00 44.32 C ATOM 1335 O GLY A 86 -14.258 -8.272 -15.480 1.00 35.03 O ATOM 0 H GLY A 86 -14.429 -11.400 -12.836 1.00 14.33 H new ATOM 0 HA2 GLY A 86 -15.788 -10.106 -14.200 1.00 3.41 H new ATOM 0 HA3 GLY A 86 -15.597 -8.722 -13.142 1.00 3.41 H new ATOM 1339 N SER A 87 -12.727 -9.349 -14.221 1.00 52.30 N ATOM 1340 CA SER A 87 -11.569 -8.942 -15.025 1.00 52.51 C ATOM 1341 C SER A 87 -10.572 -10.101 -15.145 1.00 5.32 C ATOM 1342 O SER A 87 -10.561 -11.013 -14.315 1.00 65.15 O ATOM 1343 CB SER A 87 -10.869 -7.726 -14.396 1.00 22.11 C ATOM 1344 OG SER A 87 -11.729 -6.592 -14.341 1.00 55.23 O ATOM 0 H SER A 87 -12.486 -9.922 -13.412 1.00 52.30 H new ATOM 0 HA SER A 87 -11.926 -8.668 -16.018 1.00 52.51 H new ATOM 0 HB2 SER A 87 -10.536 -7.979 -13.390 1.00 22.11 H new ATOM 0 HB3 SER A 87 -9.979 -7.479 -14.974 1.00 22.11 H new ATOM 0 HG SER A 87 -11.252 -5.839 -13.934 1.00 55.23 H new ATOM 1350 N THR A 88 -9.738 -10.076 -16.179 1.00 60.53 N ATOM 1351 CA THR A 88 -8.722 -11.125 -16.366 1.00 42.50 C ATOM 1352 C THR A 88 -7.408 -10.762 -15.668 1.00 53.30 C ATOM 1353 O THR A 88 -6.621 -11.641 -15.313 1.00 5.24 O ATOM 1354 CB THR A 88 -8.429 -11.401 -17.861 1.00 62.53 C ATOM 1355 OG1 THR A 88 -7.482 -12.477 -17.990 1.00 44.44 O ATOM 1356 CG2 THR A 88 -7.883 -10.160 -18.563 1.00 51.23 C ATOM 0 H THR A 88 -9.738 -9.352 -16.898 1.00 60.53 H new ATOM 0 HA THR A 88 -9.140 -12.027 -15.918 1.00 42.50 H new ATOM 0 HB THR A 88 -9.370 -11.678 -18.335 1.00 62.53 H new ATOM 0 HG1 THR A 88 -7.305 -12.645 -18.939 1.00 44.44 H new ATOM 0 HG21 THR A 88 -7.689 -10.390 -19.611 1.00 51.23 H new ATOM 0 HG22 THR A 88 -8.614 -9.354 -18.498 1.00 51.23 H new ATOM 0 HG23 THR A 88 -6.956 -9.848 -18.082 1.00 51.23 H new ATOM 1364 N GLN A 89 -7.179 -9.464 -15.476 1.00 33.33 N ATOM 1365 CA GLN A 89 -5.943 -8.981 -14.853 1.00 54.51 C ATOM 1366 C GLN A 89 -5.943 -9.205 -13.331 1.00 63.33 C ATOM 1367 O GLN A 89 -6.996 -9.365 -12.704 1.00 13.20 O ATOM 1368 CB GLN A 89 -5.737 -7.490 -15.151 1.00 61.03 C ATOM 1369 CG GLN A 89 -6.803 -6.581 -14.548 1.00 4.23 C ATOM 1370 CD GLN A 89 -6.455 -5.107 -14.676 1.00 22.22 C ATOM 1371 OE1 GLN A 89 -5.803 -4.532 -13.808 1.00 72.43 O ATOM 1372 NE2 GLN A 89 -6.878 -4.480 -15.754 1.00 62.34 N ATOM 0 H GLN A 89 -7.831 -8.726 -15.742 1.00 33.33 H new ATOM 0 HA GLN A 89 -5.122 -9.556 -15.282 1.00 54.51 H new ATOM 0 HB2 GLN A 89 -4.760 -7.187 -14.774 1.00 61.03 H new ATOM 0 HB3 GLN A 89 -5.720 -7.345 -16.231 1.00 61.03 H new ATOM 0 HG2 GLN A 89 -7.757 -6.769 -15.041 1.00 4.23 H new ATOM 0 HG3 GLN A 89 -6.934 -6.830 -13.495 1.00 4.23 H new ATOM 0 HE21 GLN A 89 -7.418 -4.983 -16.458 1.00 62.34 H new ATOM 0 HE22 GLN A 89 -6.666 -3.491 -15.885 1.00 62.34 H new ATOM 1381 N LYS A 90 -4.751 -9.209 -12.743 1.00 72.23 N ATOM 1382 CA LYS A 90 -4.600 -9.357 -11.293 1.00 3.45 C ATOM 1383 C LYS A 90 -4.152 -8.031 -10.651 1.00 1.34 C ATOM 1384 O LYS A 90 -3.441 -7.238 -11.270 1.00 13.31 O ATOM 1385 CB LYS A 90 -3.590 -10.472 -10.984 1.00 63.33 C ATOM 1386 CG LYS A 90 -2.161 -10.169 -11.437 1.00 53.21 C ATOM 1387 CD LYS A 90 -1.227 -11.360 -11.231 1.00 53.22 C ATOM 1388 CE LYS A 90 -1.341 -11.934 -9.827 1.00 54.05 C ATOM 1389 NZ LYS A 90 -0.321 -12.980 -9.562 1.00 3.15 N ATOM 0 H LYS A 90 -3.870 -9.111 -13.248 1.00 72.23 H new ATOM 0 HA LYS A 90 -5.567 -9.627 -10.868 1.00 3.45 H new ATOM 0 HB2 LYS A 90 -3.587 -10.656 -9.910 1.00 63.33 H new ATOM 0 HB3 LYS A 90 -3.924 -11.392 -11.464 1.00 63.33 H new ATOM 0 HG2 LYS A 90 -2.167 -9.892 -12.491 1.00 53.21 H new ATOM 0 HG3 LYS A 90 -1.780 -9.311 -10.884 1.00 53.21 H new ATOM 0 HD2 LYS A 90 -1.461 -12.135 -11.960 1.00 53.22 H new ATOM 0 HD3 LYS A 90 -0.198 -11.050 -11.414 1.00 53.22 H new ATOM 0 HE2 LYS A 90 -1.232 -11.131 -9.098 1.00 54.05 H new ATOM 0 HE3 LYS A 90 -2.336 -12.357 -9.689 1.00 54.05 H new ATOM 0 HZ1 LYS A 90 -0.733 -13.722 -8.961 1.00 3.15 H new ATOM 0 HZ2 LYS A 90 -0.009 -13.397 -10.462 1.00 3.15 H new ATOM 0 HZ3 LYS A 90 0.494 -12.555 -9.076 1.00 3.15 H new ATOM 1403 N ALA A 91 -4.582 -7.790 -9.417 1.00 14.31 N ATOM 1404 CA ALA A 91 -4.217 -6.568 -8.688 1.00 33.14 C ATOM 1405 C ALA A 91 -3.485 -6.896 -7.379 1.00 14.50 C ATOM 1406 O ALA A 91 -3.523 -8.030 -6.900 1.00 61.30 O ATOM 1407 CB ALA A 91 -5.462 -5.735 -8.408 1.00 63.45 C ATOM 0 H ALA A 91 -5.186 -8.424 -8.894 1.00 14.31 H new ATOM 0 HA ALA A 91 -3.536 -5.991 -9.313 1.00 33.14 H new ATOM 0 HB1 ALA A 91 -5.181 -4.831 -7.867 1.00 63.45 H new ATOM 0 HB2 ALA A 91 -5.936 -5.461 -9.351 1.00 63.45 H new ATOM 0 HB3 ALA A 91 -6.161 -6.316 -7.806 1.00 63.45 H new ATOM 1413 N LEU A 92 -2.818 -5.899 -6.802 1.00 64.50 N ATOM 1414 CA LEU A 92 -2.081 -6.088 -5.550 1.00 1.35 C ATOM 1415 C LEU A 92 -2.906 -5.635 -4.335 1.00 33.43 C ATOM 1416 O LEU A 92 -3.364 -4.494 -4.265 1.00 54.42 O ATOM 1417 CB LEU A 92 -0.750 -5.322 -5.597 1.00 53.33 C ATOM 1418 CG LEU A 92 0.153 -5.487 -4.357 1.00 15.24 C ATOM 1419 CD1 LEU A 92 0.698 -6.912 -4.267 1.00 75.32 C ATOM 1420 CD2 LEU A 92 1.293 -4.465 -4.383 1.00 22.13 C ATOM 0 H LEU A 92 -2.771 -4.952 -7.179 1.00 64.50 H new ATOM 0 HA LEU A 92 -1.880 -7.154 -5.441 1.00 1.35 H new ATOM 0 HB2 LEU A 92 -0.194 -5.647 -6.476 1.00 53.33 H new ATOM 0 HB3 LEU A 92 -0.965 -4.262 -5.730 1.00 53.33 H new ATOM 0 HG LEU A 92 -0.449 -5.302 -3.467 1.00 15.24 H new ATOM 0 HD11 LEU A 92 1.332 -7.004 -3.385 1.00 75.32 H new ATOM 0 HD12 LEU A 92 -0.132 -7.615 -4.193 1.00 75.32 H new ATOM 0 HD13 LEU A 92 1.283 -7.135 -5.159 1.00 75.32 H new ATOM 0 HD21 LEU A 92 1.920 -4.596 -3.501 1.00 22.13 H new ATOM 0 HD22 LEU A 92 1.894 -4.613 -5.280 1.00 22.13 H new ATOM 0 HD23 LEU A 92 0.878 -3.457 -4.387 1.00 22.13 H new ATOM 1432 N TYR A 93 -3.098 -6.546 -3.383 1.00 2.14 N ATOM 1433 CA TYR A 93 -3.772 -6.228 -2.118 1.00 74.31 C ATOM 1434 C TYR A 93 -2.789 -6.316 -0.943 1.00 44.51 C ATOM 1435 O TYR A 93 -1.866 -7.138 -0.948 1.00 63.34 O ATOM 1436 CB TYR A 93 -4.982 -7.152 -1.897 1.00 21.54 C ATOM 1437 CG TYR A 93 -6.155 -6.847 -2.815 1.00 35.40 C ATOM 1438 CD1 TYR A 93 -6.117 -7.156 -4.171 1.00 3.41 C ATOM 1439 CD2 TYR A 93 -7.298 -6.234 -2.317 1.00 13.40 C ATOM 1440 CE1 TYR A 93 -7.184 -6.860 -5.002 1.00 1.21 C ATOM 1441 CE2 TYR A 93 -8.367 -5.939 -3.138 1.00 5.53 C ATOM 1442 CZ TYR A 93 -8.306 -6.252 -4.478 1.00 4.24 C ATOM 1443 OH TYR A 93 -9.367 -5.942 -5.298 1.00 75.04 O ATOM 0 H TYR A 93 -2.796 -7.517 -3.461 1.00 2.14 H new ATOM 0 HA TYR A 93 -4.139 -5.203 -2.174 1.00 74.31 H new ATOM 0 HB2 TYR A 93 -4.672 -8.186 -2.049 1.00 21.54 H new ATOM 0 HB3 TYR A 93 -5.310 -7.066 -0.861 1.00 21.54 H new ATOM 0 HD1 TYR A 93 -5.241 -7.635 -4.582 1.00 3.41 H new ATOM 0 HD2 TYR A 93 -7.351 -5.984 -1.268 1.00 13.40 H new ATOM 0 HE1 TYR A 93 -7.138 -7.103 -6.053 1.00 1.21 H new ATOM 0 HE2 TYR A 93 -9.248 -5.465 -2.732 1.00 5.53 H new ATOM 0 HH TYR A 93 -10.076 -5.519 -4.770 1.00 75.04 H new ATOM 1453 N LEU A 94 -2.984 -5.460 0.059 1.00 73.32 N ATOM 1454 CA LEU A 94 -2.026 -5.328 1.166 1.00 33.15 C ATOM 1455 C LEU A 94 -2.676 -5.570 2.538 1.00 15.30 C ATOM 1456 O LEU A 94 -3.867 -5.314 2.730 1.00 11.35 O ATOM 1457 CB LEU A 94 -1.417 -3.917 1.146 1.00 21.32 C ATOM 1458 CG LEU A 94 -0.866 -3.450 -0.210 1.00 20.43 C ATOM 1459 CD1 LEU A 94 -0.326 -2.031 -0.108 1.00 53.45 C ATOM 1460 CD2 LEU A 94 0.211 -4.400 -0.721 1.00 11.34 C ATOM 0 H LEU A 94 -3.795 -4.846 0.131 1.00 73.32 H new ATOM 0 HA LEU A 94 -1.258 -6.088 1.023 1.00 33.15 H new ATOM 0 HB2 LEU A 94 -2.178 -3.208 1.472 1.00 21.32 H new ATOM 0 HB3 LEU A 94 -0.610 -3.879 1.878 1.00 21.32 H new ATOM 0 HG LEU A 94 -1.687 -3.456 -0.927 1.00 20.43 H new ATOM 0 HD11 LEU A 94 0.060 -1.718 -1.078 1.00 53.45 H new ATOM 0 HD12 LEU A 94 -1.127 -1.358 0.198 1.00 53.45 H new ATOM 0 HD13 LEU A 94 0.476 -1.999 0.629 1.00 53.45 H new ATOM 0 HD21 LEU A 94 0.583 -4.045 -1.682 1.00 11.34 H new ATOM 0 HD22 LEU A 94 1.032 -4.438 -0.005 1.00 11.34 H new ATOM 0 HD23 LEU A 94 -0.211 -5.398 -0.841 1.00 11.34 H new ATOM 1472 N ARG A 95 -1.877 -6.057 3.488 1.00 14.11 N ATOM 1473 CA ARG A 95 -2.312 -6.192 4.886 1.00 21.33 C ATOM 1474 C ARG A 95 -1.137 -5.957 5.854 1.00 50.25 C ATOM 1475 O ARG A 95 0.027 -6.032 5.463 1.00 4.22 O ATOM 1476 CB ARG A 95 -2.963 -7.563 5.139 1.00 20.11 C ATOM 1477 CG ARG A 95 -2.104 -8.762 4.748 1.00 53.44 C ATOM 1478 CD ARG A 95 -2.821 -10.081 5.036 1.00 3.22 C ATOM 1479 NE ARG A 95 -2.065 -11.240 4.561 1.00 42.23 N ATOM 1480 CZ ARG A 95 -2.349 -12.478 4.866 1.00 60.35 C ATOM 1481 NH1 ARG A 95 -3.385 -12.757 5.595 1.00 32.55 N ATOM 1482 NH2 ARG A 95 -1.617 -13.439 4.403 1.00 61.01 N ATOM 0 H ARG A 95 -0.920 -6.367 3.317 1.00 14.11 H new ATOM 0 HA ARG A 95 -3.065 -5.426 5.073 1.00 21.33 H new ATOM 0 HB2 ARG A 95 -3.211 -7.642 6.197 1.00 20.11 H new ATOM 0 HB3 ARG A 95 -3.902 -7.611 4.587 1.00 20.11 H new ATOM 0 HG2 ARG A 95 -1.858 -8.704 3.688 1.00 53.44 H new ATOM 0 HG3 ARG A 95 -1.162 -8.731 5.296 1.00 53.44 H new ATOM 0 HD2 ARG A 95 -2.988 -10.174 6.109 1.00 3.22 H new ATOM 0 HD3 ARG A 95 -3.802 -10.070 4.560 1.00 3.22 H new ATOM 0 HE ARG A 95 -1.264 -11.070 3.952 1.00 42.23 H new ATOM 0 HH11 ARG A 95 -3.986 -12.007 5.935 1.00 32.55 H new ATOM 0 HH12 ARG A 95 -3.599 -13.727 5.828 1.00 32.55 H new ATOM 0 HH21 ARG A 95 -0.820 -13.229 3.801 1.00 61.01 H new ATOM 0 HH22 ARG A 95 -1.836 -14.407 4.640 1.00 61.01 H new ATOM 1496 N ALA A 96 -1.448 -5.661 7.116 1.00 43.12 N ATOM 1497 CA ALA A 96 -0.424 -5.295 8.108 1.00 61.51 C ATOM 1498 C ALA A 96 0.361 -6.512 8.632 1.00 53.11 C ATOM 1499 O ALA A 96 -0.168 -7.622 8.726 1.00 5.44 O ATOM 1500 CB ALA A 96 -1.072 -4.546 9.269 1.00 22.25 C ATOM 0 H ALA A 96 -2.401 -5.666 7.481 1.00 43.12 H new ATOM 0 HA ALA A 96 0.296 -4.649 7.605 1.00 61.51 H new ATOM 0 HB1 ALA A 96 -0.309 -4.278 10.000 1.00 22.25 H new ATOM 0 HB2 ALA A 96 -1.551 -3.641 8.896 1.00 22.25 H new ATOM 0 HB3 ALA A 96 -1.819 -5.184 9.742 1.00 22.25 H new ATOM 1506 N LYS A 97 1.632 -6.291 8.970 1.00 34.45 N ATOM 1507 CA LYS A 97 2.472 -7.341 9.556 1.00 52.42 C ATOM 1508 C LYS A 97 2.164 -7.524 11.052 1.00 11.51 C ATOM 1509 O LYS A 97 2.633 -6.758 11.898 1.00 70.11 O ATOM 1510 CB LYS A 97 3.958 -7.001 9.365 1.00 32.14 C ATOM 1511 CG LYS A 97 4.913 -8.047 9.942 1.00 71.25 C ATOM 1512 CD LYS A 97 4.849 -9.370 9.179 1.00 14.34 C ATOM 1513 CE LYS A 97 5.369 -9.227 7.753 1.00 24.23 C ATOM 1514 NZ LYS A 97 6.792 -8.795 7.720 1.00 72.21 N ATOM 0 H LYS A 97 2.104 -5.395 8.849 1.00 34.45 H new ATOM 0 HA LYS A 97 2.250 -8.277 9.043 1.00 52.42 H new ATOM 0 HB2 LYS A 97 4.160 -6.887 8.300 1.00 32.14 H new ATOM 0 HB3 LYS A 97 4.163 -6.038 9.833 1.00 32.14 H new ATOM 0 HG2 LYS A 97 5.932 -7.662 9.913 1.00 71.25 H new ATOM 0 HG3 LYS A 97 4.668 -8.221 10.990 1.00 71.25 H new ATOM 0 HD2 LYS A 97 5.436 -10.122 9.706 1.00 14.34 H new ATOM 0 HD3 LYS A 97 3.819 -9.727 9.156 1.00 14.34 H new ATOM 0 HE2 LYS A 97 5.267 -10.179 7.233 1.00 24.23 H new ATOM 0 HE3 LYS A 97 4.758 -8.503 7.215 1.00 24.23 H new ATOM 0 HZ1 LYS A 97 6.860 -7.858 7.274 1.00 72.21 H new ATOM 0 HZ2 LYS A 97 7.162 -8.744 8.691 1.00 72.21 H new ATOM 0 HZ3 LYS A 97 7.350 -9.481 7.172 1.00 72.21 H new