USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 GLN : amide:sc= -0.0496 X(o=-0.05,f=-0.095) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 33 SER OG : rot 82:sc= 0.825 USER MOD Single : A 34 SER OG : rot 55:sc= 0.0378 USER MOD Single : A 41 ASN : amide:sc= -0.332 K(o=-0.33,f=-9.7!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 47 ASN : amide:sc= -0.457 K(o=-0.46,f=-3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc=-0.00892 X(o=-0.0089,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.967 K(o=0.97,f=-0.25) USER MOD Single : A 58 SER OG : rot 90:sc= 0.231 USER MOD Single : A 61 TYR OH : rot -150:sc= 0.242 USER MOD Single : A 63 TYR OH : rot -130:sc= 0.837 USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0122) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0194) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 143:sc= -1.84! (180deg=-4.19!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 26:sc= 0.236 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -21:sc= 0.136 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 14.988 8.628 4.244 1.00 2.04 N ATOM 262 CA GLN A 19 13.847 9.183 4.983 1.00 4.01 C ATOM 263 C GLN A 19 13.248 8.149 5.955 1.00 51.31 C ATOM 264 O GLN A 19 13.368 6.941 5.747 1.00 73.02 O ATOM 265 CB GLN A 19 12.768 9.689 4.011 1.00 13.41 C ATOM 266 CG GLN A 19 13.239 10.814 3.092 1.00 53.21 C ATOM 267 CD GLN A 19 13.668 12.052 3.860 1.00 5.20 C ATOM 268 OE1 GLN A 19 14.830 12.203 4.227 1.00 11.22 O ATOM 269 NE2 GLN A 19 12.732 12.941 4.124 1.00 25.12 N ATOM 0 HA GLN A 19 14.213 10.024 5.572 1.00 4.01 H new ATOM 0 HB2 GLN A 19 12.424 8.855 3.400 1.00 13.41 H new ATOM 0 HB3 GLN A 19 11.910 10.038 4.586 1.00 13.41 H new ATOM 0 HG2 GLN A 19 14.073 10.459 2.487 1.00 53.21 H new ATOM 0 HG3 GLN A 19 12.435 11.077 2.404 1.00 53.21 H new ATOM 0 HE21 GLN A 19 11.776 12.785 3.805 1.00 25.12 H new ATOM 0 HE22 GLN A 19 12.963 13.785 4.648 1.00 25.12 H new ATOM 278 N ALA A 20 12.614 8.634 7.019 1.00 13.12 N ATOM 279 CA ALA A 20 12.032 7.762 8.049 1.00 11.21 C ATOM 280 C ALA A 20 10.608 7.306 7.689 1.00 63.41 C ATOM 281 O ALA A 20 9.802 8.089 7.184 1.00 20.12 O ATOM 282 CB ALA A 20 12.024 8.475 9.397 1.00 70.03 C ATOM 0 H ALA A 20 12.487 9.631 7.196 1.00 13.12 H new ATOM 0 HA ALA A 20 12.656 6.870 8.108 1.00 11.21 H new ATOM 0 HB1 ALA A 20 11.591 7.820 10.153 1.00 70.03 H new ATOM 0 HB2 ALA A 20 13.045 8.730 9.680 1.00 70.03 H new ATOM 0 HB3 ALA A 20 11.430 9.386 9.323 1.00 70.03 H new ATOM 288 N PHE A 21 10.309 6.035 7.966 1.00 14.03 N ATOM 289 CA PHE A 21 8.967 5.473 7.739 1.00 0.55 C ATOM 290 C PHE A 21 8.068 5.635 8.980 1.00 42.41 C ATOM 291 O PHE A 21 8.281 4.964 9.995 1.00 34.34 O ATOM 292 CB PHE A 21 9.061 3.977 7.393 1.00 74.22 C ATOM 293 CG PHE A 21 9.723 3.680 6.071 1.00 22.34 C ATOM 294 CD1 PHE A 21 9.081 3.979 4.878 1.00 20.52 C ATOM 295 CD2 PHE A 21 10.977 3.086 6.021 1.00 42.43 C ATOM 296 CE1 PHE A 21 9.677 3.695 3.664 1.00 32.11 C ATOM 297 CE2 PHE A 21 11.576 2.803 4.809 1.00 35.11 C ATOM 298 CZ PHE A 21 10.924 3.106 3.629 1.00 61.11 C ATOM 0 H PHE A 21 10.979 5.369 8.350 1.00 14.03 H new ATOM 0 HA PHE A 21 8.527 6.023 6.907 1.00 0.55 H new ATOM 0 HB2 PHE A 21 9.613 3.468 8.183 1.00 74.22 H new ATOM 0 HB3 PHE A 21 8.056 3.555 7.384 1.00 74.22 H new ATOM 0 HD1 PHE A 21 8.104 4.439 4.898 1.00 20.52 H new ATOM 0 HD2 PHE A 21 11.490 2.843 6.940 1.00 42.43 H new ATOM 0 HE1 PHE A 21 9.167 3.934 2.743 1.00 32.11 H new ATOM 0 HE2 PHE A 21 12.554 2.345 4.784 1.00 35.11 H new ATOM 0 HZ PHE A 21 11.390 2.882 2.681 1.00 61.11 H new ATOM 308 N PRO A 22 7.057 6.526 8.934 1.00 14.03 N ATOM 309 CA PRO A 22 6.058 6.620 10.005 1.00 71.11 C ATOM 310 C PRO A 22 4.948 5.567 9.840 1.00 1.42 C ATOM 311 O PRO A 22 4.005 5.750 9.068 1.00 55.24 O ATOM 312 CB PRO A 22 5.513 8.042 9.830 1.00 41.34 C ATOM 313 CG PRO A 22 5.632 8.315 8.363 1.00 75.44 C ATOM 314 CD PRO A 22 6.822 7.520 7.868 1.00 43.41 C ATOM 0 HA PRO A 22 6.471 6.433 10.996 1.00 71.11 H new ATOM 0 HB2 PRO A 22 4.478 8.113 10.164 1.00 41.34 H new ATOM 0 HB3 PRO A 22 6.087 8.761 10.415 1.00 41.34 H new ATOM 0 HG2 PRO A 22 4.723 8.018 7.839 1.00 75.44 H new ATOM 0 HG3 PRO A 22 5.774 9.380 8.178 1.00 75.44 H new ATOM 0 HD2 PRO A 22 6.611 7.039 6.913 1.00 43.41 H new ATOM 0 HD3 PRO A 22 7.693 8.158 7.718 1.00 43.41 H new ATOM 322 N ARG A 23 5.055 4.461 10.577 1.00 64.21 N ATOM 323 CA ARG A 23 4.165 3.313 10.361 1.00 63.23 C ATOM 324 C ARG A 23 2.802 3.486 11.046 1.00 74.54 C ATOM 325 O ARG A 23 1.818 2.886 10.617 1.00 75.13 O ATOM 326 CB ARG A 23 4.836 2.002 10.808 1.00 41.41 C ATOM 327 CG ARG A 23 5.229 1.958 12.281 1.00 22.13 C ATOM 328 CD ARG A 23 5.951 0.660 12.635 1.00 73.42 C ATOM 329 NE ARG A 23 6.398 0.643 14.027 1.00 43.42 N ATOM 330 CZ ARG A 23 7.224 -0.238 14.528 1.00 4.40 C ATOM 331 NH1 ARG A 23 7.696 -1.202 13.799 1.00 33.23 N ATOM 332 NH2 ARG A 23 7.566 -0.155 15.771 1.00 51.31 N ATOM 0 H ARG A 23 5.740 4.333 11.322 1.00 64.21 H new ATOM 0 HA ARG A 23 3.978 3.261 9.288 1.00 63.23 H new ATOM 0 HB2 ARG A 23 4.158 1.174 10.602 1.00 41.41 H new ATOM 0 HB3 ARG A 23 5.728 1.842 10.203 1.00 41.41 H new ATOM 0 HG2 ARG A 23 5.873 2.807 12.511 1.00 22.13 H new ATOM 0 HG3 ARG A 23 4.337 2.058 12.899 1.00 22.13 H new ATOM 0 HD2 ARG A 23 5.285 -0.185 12.458 1.00 73.42 H new ATOM 0 HD3 ARG A 23 6.810 0.532 11.977 1.00 73.42 H new ATOM 0 HE ARG A 23 6.041 1.368 14.650 1.00 43.42 H new ATOM 0 HH11 ARG A 23 7.424 -1.281 12.819 1.00 33.23 H new ATOM 0 HH12 ARG A 23 8.340 -1.881 14.206 1.00 33.23 H new ATOM 0 HH21 ARG A 23 7.192 0.594 16.354 1.00 51.31 H new ATOM 0 HH22 ARG A 23 8.210 -0.838 16.170 1.00 51.31 H new ATOM 346 N LYS A 24 2.730 4.315 12.089 1.00 23.15 N ATOM 347 CA LYS A 24 1.451 4.565 12.772 1.00 34.24 C ATOM 348 C LYS A 24 0.415 5.149 11.796 1.00 42.30 C ATOM 349 O LYS A 24 -0.727 4.694 11.735 1.00 61.15 O ATOM 350 CB LYS A 24 1.637 5.522 13.959 1.00 34.13 C ATOM 351 CG LYS A 24 2.600 5.019 15.031 1.00 12.22 C ATOM 352 CD LYS A 24 2.658 5.970 16.229 1.00 52.52 C ATOM 353 CE LYS A 24 3.071 7.385 15.824 1.00 31.10 C ATOM 354 NZ LYS A 24 3.092 8.315 16.984 1.00 14.03 N ATOM 0 H LYS A 24 3.527 4.820 12.478 1.00 23.15 H new ATOM 0 HA LYS A 24 1.087 3.608 13.146 1.00 34.24 H new ATOM 0 HB2 LYS A 24 1.998 6.480 13.584 1.00 34.13 H new ATOM 0 HB3 LYS A 24 0.665 5.705 14.418 1.00 34.13 H new ATOM 0 HG2 LYS A 24 2.288 4.030 15.366 1.00 12.22 H new ATOM 0 HG3 LYS A 24 3.597 4.911 14.603 1.00 12.22 H new ATOM 0 HD2 LYS A 24 1.682 6.003 16.712 1.00 52.52 H new ATOM 0 HD3 LYS A 24 3.364 5.583 16.964 1.00 52.52 H new ATOM 0 HE2 LYS A 24 4.059 7.356 15.365 1.00 31.10 H new ATOM 0 HE3 LYS A 24 2.380 7.762 15.070 1.00 31.10 H new ATOM 0 HZ1 LYS A 24 3.377 9.263 16.664 1.00 14.03 H new ATOM 0 HZ2 LYS A 24 2.143 8.363 17.407 1.00 14.03 H new ATOM 0 HZ3 LYS A 24 3.770 7.970 17.693 1.00 14.03 H new ATOM 368 N PHE A 25 0.831 6.158 11.030 1.00 24.22 N ATOM 369 CA PHE A 25 -0.051 6.803 10.047 1.00 60.21 C ATOM 370 C PHE A 25 -0.320 5.885 8.841 1.00 75.51 C ATOM 371 O PHE A 25 -1.460 5.755 8.387 1.00 71.10 O ATOM 372 CB PHE A 25 0.559 8.130 9.569 1.00 10.41 C ATOM 373 CG PHE A 25 0.784 9.129 10.678 1.00 64.24 C ATOM 374 CD1 PHE A 25 -0.237 9.977 11.086 1.00 34.13 C ATOM 375 CD2 PHE A 25 2.016 9.221 11.312 1.00 53.35 C ATOM 376 CE1 PHE A 25 -0.034 10.892 12.101 1.00 21.22 C ATOM 377 CE2 PHE A 25 2.222 10.137 12.328 1.00 15.22 C ATOM 378 CZ PHE A 25 1.196 10.972 12.721 1.00 34.12 C ATOM 0 H PHE A 25 1.772 6.549 11.069 1.00 24.22 H new ATOM 0 HA PHE A 25 -1.003 7.002 10.540 1.00 60.21 H new ATOM 0 HB2 PHE A 25 1.510 7.926 9.077 1.00 10.41 H new ATOM 0 HB3 PHE A 25 -0.098 8.573 8.821 1.00 10.41 H new ATOM 0 HD1 PHE A 25 -1.202 9.921 10.604 1.00 34.13 H new ATOM 0 HD2 PHE A 25 2.823 8.570 11.008 1.00 53.35 H new ATOM 0 HE1 PHE A 25 -0.838 11.544 12.409 1.00 21.22 H new ATOM 0 HE2 PHE A 25 3.185 10.199 12.813 1.00 15.22 H new ATOM 0 HZ PHE A 25 1.356 11.688 13.514 1.00 34.12 H new ATOM 388 N VAL A 26 0.735 5.250 8.328 1.00 32.41 N ATOM 389 CA VAL A 26 0.614 4.365 7.160 1.00 33.20 C ATOM 390 C VAL A 26 -0.313 3.166 7.434 1.00 11.51 C ATOM 391 O VAL A 26 -1.250 2.910 6.676 1.00 40.25 O ATOM 392 CB VAL A 26 1.998 3.847 6.693 1.00 11.04 C ATOM 393 CG1 VAL A 26 1.849 2.922 5.489 1.00 5.23 C ATOM 394 CG2 VAL A 26 2.933 5.011 6.363 1.00 25.51 C ATOM 0 H VAL A 26 1.682 5.329 8.699 1.00 32.41 H new ATOM 0 HA VAL A 26 0.173 4.969 6.367 1.00 33.20 H new ATOM 0 HB VAL A 26 2.439 3.278 7.511 1.00 11.04 H new ATOM 0 HG11 VAL A 26 2.832 2.570 5.177 1.00 5.23 H new ATOM 0 HG12 VAL A 26 1.227 2.069 5.760 1.00 5.23 H new ATOM 0 HG13 VAL A 26 1.381 3.466 4.668 1.00 5.23 H new ATOM 0 HG21 VAL A 26 3.898 4.622 6.038 1.00 25.51 H new ATOM 0 HG22 VAL A 26 2.497 5.613 5.566 1.00 25.51 H new ATOM 0 HG23 VAL A 26 3.072 5.629 7.250 1.00 25.51 H new ATOM 404 N LEU A 27 -0.051 2.437 8.520 1.00 2.31 N ATOM 405 CA LEU A 27 -0.874 1.274 8.887 1.00 74.24 C ATOM 406 C LEU A 27 -2.316 1.692 9.216 1.00 12.32 C ATOM 407 O LEU A 27 -3.267 0.966 8.913 1.00 44.34 O ATOM 408 CB LEU A 27 -0.248 0.518 10.070 1.00 25.20 C ATOM 409 CG LEU A 27 1.156 -0.058 9.811 1.00 22.21 C ATOM 410 CD1 LEU A 27 1.678 -0.802 11.042 1.00 25.04 C ATOM 411 CD2 LEU A 27 1.150 -0.971 8.586 1.00 12.41 C ATOM 0 H LEU A 27 0.720 2.627 9.161 1.00 2.31 H new ATOM 0 HA LEU A 27 -0.907 0.605 8.027 1.00 74.24 H new ATOM 0 HB2 LEU A 27 -0.194 1.193 10.924 1.00 25.20 H new ATOM 0 HB3 LEU A 27 -0.912 -0.299 10.351 1.00 25.20 H new ATOM 0 HG LEU A 27 1.830 0.775 9.610 1.00 22.21 H new ATOM 0 HD11 LEU A 27 2.671 -1.199 10.833 1.00 25.04 H new ATOM 0 HD12 LEU A 27 1.732 -0.115 11.886 1.00 25.04 H new ATOM 0 HD13 LEU A 27 1.003 -1.623 11.285 1.00 25.04 H new ATOM 0 HD21 LEU A 27 2.152 -1.367 8.422 1.00 12.41 H new ATOM 0 HD22 LEU A 27 0.457 -1.796 8.750 1.00 12.41 H new ATOM 0 HD23 LEU A 27 0.837 -0.403 7.710 1.00 12.41 H new ATOM 423 N ALA A 28 -2.473 2.869 9.827 1.00 55.22 N ATOM 424 CA ALA A 28 -3.803 3.429 10.092 1.00 33.42 C ATOM 425 C ALA A 28 -4.584 3.642 8.785 1.00 4.42 C ATOM 426 O ALA A 28 -5.759 3.286 8.683 1.00 3.23 O ATOM 427 CB ALA A 28 -3.686 4.740 10.862 1.00 51.32 C ATOM 0 H ALA A 28 -1.699 3.452 10.147 1.00 55.22 H new ATOM 0 HA ALA A 28 -4.354 2.714 10.702 1.00 33.42 H new ATOM 0 HB1 ALA A 28 -4.682 5.142 11.050 1.00 51.32 H new ATOM 0 HB2 ALA A 28 -3.182 4.560 11.812 1.00 51.32 H new ATOM 0 HB3 ALA A 28 -3.111 5.456 10.275 1.00 51.32 H new ATOM 433 N ALA A 29 -3.925 4.229 7.788 1.00 21.34 N ATOM 434 CA ALA A 29 -4.528 4.416 6.463 1.00 14.00 C ATOM 435 C ALA A 29 -4.775 3.066 5.767 1.00 55.03 C ATOM 436 O ALA A 29 -5.783 2.881 5.082 1.00 53.11 O ATOM 437 CB ALA A 29 -3.636 5.306 5.601 1.00 54.41 C ATOM 0 H ALA A 29 -2.973 4.585 7.869 1.00 21.34 H new ATOM 0 HA ALA A 29 -5.494 4.904 6.595 1.00 14.00 H new ATOM 0 HB1 ALA A 29 -4.093 5.438 4.620 1.00 54.41 H new ATOM 0 HB2 ALA A 29 -3.519 6.278 6.081 1.00 54.41 H new ATOM 0 HB3 ALA A 29 -2.658 4.838 5.486 1.00 54.41 H new ATOM 443 N LEU A 30 -3.850 2.129 5.963 1.00 42.24 N ATOM 444 CA LEU A 30 -3.948 0.785 5.383 1.00 13.13 C ATOM 445 C LEU A 30 -5.249 0.080 5.807 1.00 34.21 C ATOM 446 O LEU A 30 -6.061 -0.302 4.962 1.00 62.13 O ATOM 447 CB LEU A 30 -2.727 -0.052 5.804 1.00 13.22 C ATOM 448 CG LEU A 30 -2.658 -1.483 5.240 1.00 40.54 C ATOM 449 CD1 LEU A 30 -2.619 -1.468 3.715 1.00 24.15 C ATOM 450 CD2 LEU A 30 -1.444 -2.221 5.800 1.00 11.03 C ATOM 0 H LEU A 30 -3.012 2.276 6.526 1.00 42.24 H new ATOM 0 HA LEU A 30 -3.965 0.884 4.298 1.00 13.13 H new ATOM 0 HB2 LEU A 30 -1.825 0.480 5.500 1.00 13.22 H new ATOM 0 HB3 LEU A 30 -2.711 -0.111 6.892 1.00 13.22 H new ATOM 0 HG LEU A 30 -3.559 -2.013 5.550 1.00 40.54 H new ATOM 0 HD11 LEU A 30 -2.570 -2.491 3.342 1.00 24.15 H new ATOM 0 HD12 LEU A 30 -3.518 -0.985 3.333 1.00 24.15 H new ATOM 0 HD13 LEU A 30 -1.740 -0.917 3.379 1.00 24.15 H new ATOM 0 HD21 LEU A 30 -1.411 -3.231 5.391 1.00 11.03 H new ATOM 0 HD22 LEU A 30 -0.535 -1.688 5.523 1.00 11.03 H new ATOM 0 HD23 LEU A 30 -1.519 -2.272 6.886 1.00 11.03 H new ATOM 462 N GLU A 31 -5.448 -0.076 7.120 1.00 0.24 N ATOM 463 CA GLU A 31 -6.652 -0.736 7.652 1.00 32.22 C ATOM 464 C GLU A 31 -7.937 0.005 7.240 1.00 40.05 C ATOM 465 O GLU A 31 -8.936 -0.619 6.879 1.00 73.14 O ATOM 466 CB GLU A 31 -6.573 -0.854 9.182 1.00 11.32 C ATOM 467 CG GLU A 31 -6.370 0.480 9.894 1.00 14.44 C ATOM 468 CD GLU A 31 -6.309 0.344 11.406 1.00 24.21 C ATOM 469 OE1 GLU A 31 -5.336 -0.247 11.917 1.00 63.11 O ATOM 470 OE2 GLU A 31 -7.235 0.827 12.093 1.00 44.41 O ATOM 0 H GLU A 31 -4.795 0.244 7.835 1.00 0.24 H new ATOM 0 HA GLU A 31 -6.692 -1.737 7.222 1.00 32.22 H new ATOM 0 HB2 GLU A 31 -7.490 -1.315 9.549 1.00 11.32 H new ATOM 0 HB3 GLU A 31 -5.753 -1.523 9.443 1.00 11.32 H new ATOM 0 HG2 GLU A 31 -5.447 0.938 9.539 1.00 14.44 H new ATOM 0 HG3 GLU A 31 -7.184 1.155 9.628 1.00 14.44 H new ATOM 477 N GLN A 32 -7.902 1.338 7.273 1.00 21.15 N ATOM 478 CA GLN A 32 -9.053 2.152 6.856 1.00 62.35 C ATOM 479 C GLN A 32 -9.321 2.026 5.346 1.00 71.02 C ATOM 480 O GLN A 32 -10.388 2.410 4.858 1.00 65.43 O ATOM 481 CB GLN A 32 -8.828 3.620 7.242 1.00 13.42 C ATOM 482 CG GLN A 32 -8.863 3.864 8.748 1.00 33.22 C ATOM 483 CD GLN A 32 -8.560 5.306 9.123 1.00 54.31 C ATOM 484 OE1 GLN A 32 -9.450 6.142 9.211 1.00 13.23 O ATOM 485 NE2 GLN A 32 -7.301 5.606 9.358 1.00 40.50 N ATOM 0 H GLN A 32 -7.094 1.879 7.582 1.00 21.15 H new ATOM 0 HA GLN A 32 -9.934 1.777 7.377 1.00 62.35 H new ATOM 0 HB2 GLN A 32 -7.865 3.947 6.851 1.00 13.42 H new ATOM 0 HB3 GLN A 32 -9.591 4.234 6.764 1.00 13.42 H new ATOM 0 HG2 GLN A 32 -9.847 3.594 9.132 1.00 33.22 H new ATOM 0 HG3 GLN A 32 -8.140 3.208 9.234 1.00 33.22 H new ATOM 0 HE21 GLN A 32 -6.582 4.887 9.276 1.00 40.50 H new ATOM 0 HE22 GLN A 32 -7.044 6.557 9.622 1.00 40.50 H new ATOM 494 N SER A 33 -8.347 1.493 4.610 1.00 20.03 N ATOM 495 CA SER A 33 -8.507 1.224 3.170 1.00 45.14 C ATOM 496 C SER A 33 -8.702 -0.278 2.908 1.00 71.31 C ATOM 497 O SER A 33 -8.698 -0.724 1.758 1.00 73.01 O ATOM 498 CB SER A 33 -7.281 1.722 2.389 1.00 4.43 C ATOM 499 OG SER A 33 -7.080 3.114 2.572 1.00 72.23 O ATOM 0 H SER A 33 -7.433 1.236 4.983 1.00 20.03 H new ATOM 0 HA SER A 33 -9.394 1.759 2.831 1.00 45.14 H new ATOM 0 HB2 SER A 33 -6.394 1.179 2.716 1.00 4.43 H new ATOM 0 HB3 SER A 33 -7.412 1.508 1.328 1.00 4.43 H new ATOM 0 HG SER A 33 -6.609 3.268 3.418 1.00 72.23 H new ATOM 505 N SER A 34 -8.865 -1.054 3.982 1.00 64.31 N ATOM 506 CA SER A 34 -8.992 -2.517 3.883 1.00 2.45 C ATOM 507 C SER A 34 -10.457 -2.973 3.863 1.00 74.44 C ATOM 508 O SER A 34 -11.292 -2.476 4.622 1.00 50.12 O ATOM 509 CB SER A 34 -8.272 -3.203 5.055 1.00 20.42 C ATOM 510 OG SER A 34 -6.877 -2.929 5.049 1.00 25.22 O ATOM 0 H SER A 34 -8.913 -0.695 4.936 1.00 64.31 H new ATOM 0 HA SER A 34 -8.530 -2.806 2.939 1.00 2.45 H new ATOM 0 HB2 SER A 34 -8.705 -2.865 5.996 1.00 20.42 H new ATOM 0 HB3 SER A 34 -8.431 -4.280 5.000 1.00 20.42 H new ATOM 0 HG SER A 34 -6.734 -1.959 5.047 1.00 25.22 H new ATOM 516 N ASP A 35 -10.755 -3.930 2.989 1.00 33.10 N ATOM 517 CA ASP A 35 -12.078 -4.550 2.922 1.00 1.52 C ATOM 518 C ASP A 35 -12.303 -5.526 4.094 1.00 74.24 C ATOM 519 O ASP A 35 -11.438 -5.683 4.959 1.00 64.12 O ATOM 520 CB ASP A 35 -12.233 -5.271 1.581 1.00 30.12 C ATOM 521 CG ASP A 35 -12.158 -4.306 0.410 1.00 15.11 C ATOM 522 OD1 ASP A 35 -13.019 -3.403 0.328 1.00 43.30 O ATOM 523 OD2 ASP A 35 -11.241 -4.434 -0.426 1.00 21.43 O ATOM 0 H ASP A 35 -10.090 -4.298 2.309 1.00 33.10 H new ATOM 0 HA ASP A 35 -12.833 -3.768 3.003 1.00 1.52 H new ATOM 0 HB2 ASP A 35 -11.452 -6.025 1.481 1.00 30.12 H new ATOM 0 HB3 ASP A 35 -13.188 -5.796 1.559 1.00 30.12 H new ATOM 528 N ASP A 36 -13.455 -6.198 4.110 1.00 1.41 N ATOM 529 CA ASP A 36 -13.819 -7.081 5.228 1.00 63.21 C ATOM 530 C ASP A 36 -12.786 -8.209 5.439 1.00 70.21 C ATOM 531 O ASP A 36 -12.587 -8.679 6.559 1.00 72.33 O ATOM 532 CB ASP A 36 -15.215 -7.676 5.005 1.00 23.01 C ATOM 533 CG ASP A 36 -15.692 -8.496 6.194 1.00 74.33 C ATOM 534 OD1 ASP A 36 -16.122 -7.896 7.201 1.00 44.02 O ATOM 535 OD2 ASP A 36 -15.628 -9.742 6.132 1.00 4.44 O ATOM 0 H ASP A 36 -14.152 -6.151 3.367 1.00 1.41 H new ATOM 0 HA ASP A 36 -13.827 -6.472 6.132 1.00 63.21 H new ATOM 0 HB2 ASP A 36 -15.924 -6.870 4.815 1.00 23.01 H new ATOM 0 HB3 ASP A 36 -15.201 -8.305 4.115 1.00 23.01 H new ATOM 540 N ALA A 37 -12.114 -8.620 4.364 1.00 2.52 N ATOM 541 CA ALA A 37 -11.102 -9.686 4.437 1.00 63.12 C ATOM 542 C ALA A 37 -9.768 -9.192 5.034 1.00 24.41 C ATOM 543 O ALA A 37 -8.807 -9.952 5.142 1.00 63.23 O ATOM 544 CB ALA A 37 -10.870 -10.274 3.050 1.00 1.45 C ATOM 0 H ALA A 37 -12.249 -8.234 3.430 1.00 2.52 H new ATOM 0 HA ALA A 37 -11.487 -10.456 5.106 1.00 63.12 H new ATOM 0 HB1 ALA A 37 -10.120 -11.063 3.110 1.00 1.45 H new ATOM 0 HB2 ALA A 37 -11.803 -10.689 2.670 1.00 1.45 H new ATOM 0 HB3 ALA A 37 -10.520 -9.491 2.377 1.00 1.45 H new ATOM 550 N GLY A 38 -9.713 -7.916 5.414 1.00 51.31 N ATOM 551 CA GLY A 38 -8.491 -7.348 5.982 1.00 12.41 C ATOM 552 C GLY A 38 -7.471 -6.926 4.927 1.00 5.32 C ATOM 553 O GLY A 38 -6.372 -6.478 5.256 1.00 63.11 O ATOM 0 H GLY A 38 -10.492 -7.262 5.340 1.00 51.31 H new ATOM 0 HA2 GLY A 38 -8.751 -6.483 6.592 1.00 12.41 H new ATOM 0 HA3 GLY A 38 -8.033 -8.081 6.647 1.00 12.41 H new ATOM 557 N TRP A 39 -7.838 -7.071 3.657 1.00 35.41 N ATOM 558 CA TRP A 39 -6.964 -6.699 2.539 1.00 3.05 C ATOM 559 C TRP A 39 -7.282 -5.290 2.022 1.00 3.42 C ATOM 560 O TRP A 39 -8.442 -4.940 1.814 1.00 54.31 O ATOM 561 CB TRP A 39 -7.113 -7.705 1.392 1.00 62.43 C ATOM 562 CG TRP A 39 -6.535 -9.054 1.691 1.00 4.15 C ATOM 563 CD1 TRP A 39 -7.202 -10.170 2.114 1.00 4.43 C ATOM 564 CD2 TRP A 39 -5.158 -9.425 1.585 1.00 74.01 C ATOM 565 NE1 TRP A 39 -6.321 -11.212 2.267 1.00 55.31 N ATOM 566 CE2 TRP A 39 -5.060 -10.778 1.949 1.00 43.50 C ATOM 567 CE3 TRP A 39 -3.999 -8.740 1.214 1.00 44.00 C ATOM 568 CZ2 TRP A 39 -3.848 -11.458 1.949 1.00 0.45 C ATOM 569 CZ3 TRP A 39 -2.798 -9.415 1.213 1.00 30.41 C ATOM 570 CH2 TRP A 39 -2.729 -10.761 1.580 1.00 45.31 C ATOM 0 H TRP A 39 -8.742 -7.447 3.371 1.00 35.41 H new ATOM 0 HA TRP A 39 -5.938 -6.709 2.907 1.00 3.05 H new ATOM 0 HB2 TRP A 39 -8.171 -7.818 1.156 1.00 62.43 H new ATOM 0 HB3 TRP A 39 -6.629 -7.302 0.503 1.00 62.43 H new ATOM 0 HD1 TRP A 39 -8.264 -10.224 2.300 1.00 4.43 H new ATOM 0 HE1 TRP A 39 -6.565 -12.155 2.568 1.00 55.31 H new ATOM 0 HE3 TRP A 39 -4.043 -7.698 0.933 1.00 44.00 H new ATOM 0 HZ2 TRP A 39 -3.791 -12.499 2.230 1.00 0.45 H new ATOM 0 HZ3 TRP A 39 -1.896 -8.896 0.924 1.00 30.41 H new ATOM 0 HH2 TRP A 39 -1.773 -11.262 1.572 1.00 45.31 H new ATOM 581 N ALA A 40 -6.244 -4.488 1.815 1.00 62.21 N ATOM 582 CA ALA A 40 -6.403 -3.144 1.255 1.00 52.12 C ATOM 583 C ALA A 40 -5.879 -3.075 -0.182 1.00 52.41 C ATOM 584 O ALA A 40 -4.699 -3.324 -0.435 1.00 52.14 O ATOM 585 CB ALA A 40 -5.678 -2.125 2.122 1.00 71.24 C ATOM 0 H ALA A 40 -5.279 -4.743 2.026 1.00 62.21 H new ATOM 0 HA ALA A 40 -7.468 -2.911 1.239 1.00 52.12 H new ATOM 0 HB1 ALA A 40 -5.803 -1.130 1.696 1.00 71.24 H new ATOM 0 HB2 ALA A 40 -6.094 -2.143 3.129 1.00 71.24 H new ATOM 0 HB3 ALA A 40 -4.617 -2.371 2.163 1.00 71.24 H new ATOM 591 N ASN A 41 -6.759 -2.743 -1.122 1.00 40.35 N ATOM 592 CA ASN A 41 -6.369 -2.607 -2.529 1.00 64.24 C ATOM 593 C ASN A 41 -5.369 -1.451 -2.708 1.00 31.22 C ATOM 594 O ASN A 41 -5.585 -0.349 -2.197 1.00 4.42 O ATOM 595 CB ASN A 41 -7.617 -2.383 -3.401 1.00 43.43 C ATOM 596 CG ASN A 41 -7.321 -2.361 -4.897 1.00 42.21 C ATOM 597 OD1 ASN A 41 -6.268 -1.913 -5.338 1.00 62.55 O ATOM 598 ND2 ASN A 41 -8.251 -2.851 -5.692 1.00 64.00 N ATOM 0 H ASN A 41 -7.746 -2.563 -0.939 1.00 40.35 H new ATOM 0 HA ASN A 41 -5.880 -3.528 -2.846 1.00 64.24 H new ATOM 0 HB2 ASN A 41 -8.341 -3.171 -3.194 1.00 43.43 H new ATOM 0 HB3 ASN A 41 -8.083 -1.439 -3.118 1.00 43.43 H new ATOM 0 HD21 ASN A 41 -8.104 -2.864 -6.701 1.00 64.00 H new ATOM 0 HD22 ASN A 41 -9.118 -3.217 -5.298 1.00 64.00 H new ATOM 605 N LEU A 42 -4.279 -1.721 -3.434 1.00 40.44 N ATOM 606 CA LEU A 42 -3.228 -0.725 -3.697 1.00 65.23 C ATOM 607 C LEU A 42 -3.814 0.639 -4.114 1.00 34.41 C ATOM 608 O LEU A 42 -3.335 1.691 -3.679 1.00 3.40 O ATOM 609 CB LEU A 42 -2.286 -1.246 -4.794 1.00 24.23 C ATOM 610 CG LEU A 42 -1.100 -0.331 -5.148 1.00 51.24 C ATOM 611 CD1 LEU A 42 -0.172 -0.155 -3.948 1.00 31.24 C ATOM 612 CD2 LEU A 42 -0.339 -0.887 -6.352 1.00 63.54 C ATOM 0 H LEU A 42 -4.098 -2.632 -3.856 1.00 40.44 H new ATOM 0 HA LEU A 42 -2.674 -0.574 -2.770 1.00 65.23 H new ATOM 0 HB2 LEU A 42 -1.893 -2.213 -4.480 1.00 24.23 H new ATOM 0 HB3 LEU A 42 -2.871 -1.417 -5.698 1.00 24.23 H new ATOM 0 HG LEU A 42 -1.490 0.651 -5.414 1.00 51.24 H new ATOM 0 HD11 LEU A 42 0.658 0.495 -4.223 1.00 31.24 H new ATOM 0 HD12 LEU A 42 -0.726 0.292 -3.122 1.00 31.24 H new ATOM 0 HD13 LEU A 42 0.214 -1.127 -3.641 1.00 31.24 H new ATOM 0 HD21 LEU A 42 0.497 -0.229 -6.590 1.00 63.54 H new ATOM 0 HD22 LEU A 42 0.039 -1.882 -6.116 1.00 63.54 H new ATOM 0 HD23 LEU A 42 -1.009 -0.947 -7.210 1.00 63.54 H new ATOM 624 N GLY A 43 -4.855 0.610 -4.950 1.00 35.31 N ATOM 625 CA GLY A 43 -5.511 1.842 -5.385 1.00 13.55 C ATOM 626 C GLY A 43 -6.058 2.676 -4.224 1.00 41.41 C ATOM 627 O GLY A 43 -5.911 3.903 -4.204 1.00 15.31 O ATOM 0 H GLY A 43 -5.257 -0.245 -5.335 1.00 35.31 H new ATOM 0 HA2 GLY A 43 -4.801 2.443 -5.953 1.00 13.55 H new ATOM 0 HA3 GLY A 43 -6.329 1.592 -6.061 1.00 13.55 H new ATOM 631 N ASN A 44 -6.683 2.009 -3.250 1.00 22.44 N ATOM 632 CA ASN A 44 -7.222 2.689 -2.064 1.00 20.02 C ATOM 633 C ASN A 44 -6.093 3.132 -1.124 1.00 12.31 C ATOM 634 O ASN A 44 -6.068 4.270 -0.653 1.00 3.45 O ATOM 635 CB ASN A 44 -8.189 1.771 -1.304 1.00 64.22 C ATOM 636 CG ASN A 44 -9.359 1.317 -2.153 1.00 2.41 C ATOM 637 OD1 ASN A 44 -9.760 1.991 -3.096 1.00 23.40 O ATOM 638 ND2 ASN A 44 -9.931 0.181 -1.813 1.00 34.40 N ATOM 0 H ASN A 44 -6.829 1.000 -3.257 1.00 22.44 H new ATOM 0 HA ASN A 44 -7.762 3.571 -2.408 1.00 20.02 H new ATOM 0 HB2 ASN A 44 -7.646 0.897 -0.945 1.00 64.22 H new ATOM 0 HB3 ASN A 44 -8.565 2.295 -0.426 1.00 64.22 H new ATOM 0 HD21 ASN A 44 -10.734 -0.164 -2.340 1.00 34.40 H new ATOM 0 HD22 ASN A 44 -9.572 -0.355 -1.023 1.00 34.40 H new ATOM 645 N PHE A 45 -5.154 2.220 -0.870 1.00 13.42 N ATOM 646 CA PHE A 45 -4.015 2.493 0.015 1.00 64.45 C ATOM 647 C PHE A 45 -3.239 3.742 -0.431 1.00 21.23 C ATOM 648 O PHE A 45 -3.041 4.669 0.353 1.00 53.40 O ATOM 649 CB PHE A 45 -3.078 1.276 0.056 1.00 4.13 C ATOM 650 CG PHE A 45 -1.835 1.485 0.890 1.00 21.04 C ATOM 651 CD1 PHE A 45 -1.924 1.664 2.265 1.00 52.12 C ATOM 652 CD2 PHE A 45 -0.575 1.491 0.302 1.00 70.25 C ATOM 653 CE1 PHE A 45 -0.788 1.844 3.032 1.00 40.21 C ATOM 654 CE2 PHE A 45 0.563 1.672 1.066 1.00 61.13 C ATOM 655 CZ PHE A 45 0.456 1.848 2.431 1.00 52.51 C ATOM 0 H PHE A 45 -5.158 1.280 -1.266 1.00 13.42 H new ATOM 0 HA PHE A 45 -4.406 2.684 1.014 1.00 64.45 H new ATOM 0 HB2 PHE A 45 -3.627 0.421 0.449 1.00 4.13 H new ATOM 0 HB3 PHE A 45 -2.782 1.024 -0.962 1.00 4.13 H new ATOM 0 HD1 PHE A 45 -2.894 1.662 2.741 1.00 52.12 H new ATOM 0 HD2 PHE A 45 -0.484 1.352 -0.765 1.00 70.25 H new ATOM 0 HE1 PHE A 45 -0.873 1.981 4.100 1.00 40.21 H new ATOM 0 HE2 PHE A 45 1.535 1.676 0.595 1.00 61.13 H new ATOM 0 HZ PHE A 45 1.344 1.989 3.029 1.00 52.51 H new ATOM 665 N GLY A 46 -2.816 3.766 -1.693 1.00 72.42 N ATOM 666 CA GLY A 46 -2.074 4.910 -2.215 1.00 71.12 C ATOM 667 C GLY A 46 -2.857 6.219 -2.141 1.00 41.41 C ATOM 668 O GLY A 46 -2.269 7.295 -2.024 1.00 73.15 O ATOM 0 H GLY A 46 -2.972 3.016 -2.366 1.00 72.42 H new ATOM 0 HA2 GLY A 46 -1.145 5.018 -1.656 1.00 71.12 H new ATOM 0 HA3 GLY A 46 -1.801 4.715 -3.252 1.00 71.12 H new ATOM 672 N ASN A 47 -4.183 6.122 -2.203 1.00 5.21 N ATOM 673 CA ASN A 47 -5.055 7.297 -2.113 1.00 24.15 C ATOM 674 C ASN A 47 -5.135 7.816 -0.667 1.00 2.12 C ATOM 675 O ASN A 47 -4.797 8.970 -0.384 1.00 60.00 O ATOM 676 CB ASN A 47 -6.460 6.936 -2.617 1.00 20.54 C ATOM 677 CG ASN A 47 -7.380 8.141 -2.756 1.00 24.03 C ATOM 678 OD1 ASN A 47 -7.221 9.155 -2.081 1.00 44.34 O ATOM 679 ND2 ASN A 47 -8.365 8.034 -3.622 1.00 73.41 N ATOM 0 H ASN A 47 -4.681 5.239 -2.316 1.00 5.21 H new ATOM 0 HA ASN A 47 -4.635 8.087 -2.735 1.00 24.15 H new ATOM 0 HB2 ASN A 47 -6.375 6.440 -3.584 1.00 20.54 H new ATOM 0 HB3 ASN A 47 -6.912 6.220 -1.930 1.00 20.54 H new ATOM 0 HD21 ASN A 47 -9.021 8.805 -3.746 1.00 73.41 H new ATOM 0 HD22 ASN A 47 -8.473 7.180 -4.169 1.00 73.41 H new ATOM 686 N TYR A 48 -5.570 6.950 0.249 1.00 51.31 N ATOM 687 CA TYR A 48 -5.826 7.353 1.633 1.00 65.44 C ATOM 688 C TYR A 48 -4.520 7.626 2.399 1.00 64.31 C ATOM 689 O TYR A 48 -4.480 8.477 3.290 1.00 52.02 O ATOM 690 CB TYR A 48 -6.659 6.288 2.360 1.00 33.51 C ATOM 691 CG TYR A 48 -7.497 6.863 3.488 1.00 12.23 C ATOM 692 CD1 TYR A 48 -8.706 7.490 3.211 1.00 22.42 C ATOM 693 CD2 TYR A 48 -7.074 6.809 4.812 1.00 31.34 C ATOM 694 CE1 TYR A 48 -9.471 8.038 4.217 1.00 41.52 C ATOM 695 CE2 TYR A 48 -7.835 7.362 5.824 1.00 41.01 C ATOM 696 CZ TYR A 48 -9.031 7.976 5.520 1.00 63.24 C ATOM 697 OH TYR A 48 -9.790 8.539 6.522 1.00 15.21 O ATOM 0 H TYR A 48 -5.753 5.965 0.058 1.00 51.31 H new ATOM 0 HA TYR A 48 -6.392 8.284 1.602 1.00 65.44 H new ATOM 0 HB2 TYR A 48 -7.314 5.794 1.643 1.00 33.51 H new ATOM 0 HB3 TYR A 48 -5.993 5.524 2.762 1.00 33.51 H new ATOM 0 HD1 TYR A 48 -9.052 7.549 2.189 1.00 22.42 H new ATOM 0 HD2 TYR A 48 -6.137 6.328 5.052 1.00 31.34 H new ATOM 0 HE1 TYR A 48 -10.412 8.514 3.984 1.00 41.52 H new ATOM 0 HE2 TYR A 48 -7.495 7.313 6.848 1.00 41.01 H new ATOM 0 HH TYR A 48 -9.342 8.409 7.384 1.00 15.21 H new ATOM 707 N LEU A 49 -3.453 6.907 2.047 1.00 1.52 N ATOM 708 CA LEU A 49 -2.140 7.127 2.663 1.00 45.01 C ATOM 709 C LEU A 49 -1.642 8.556 2.417 1.00 30.13 C ATOM 710 O LEU A 49 -1.220 9.249 3.347 1.00 13.43 O ATOM 711 CB LEU A 49 -1.113 6.119 2.126 1.00 25.34 C ATOM 712 CG LEU A 49 0.339 6.353 2.580 1.00 33.20 C ATOM 713 CD1 LEU A 49 0.442 6.322 4.100 1.00 74.55 C ATOM 714 CD2 LEU A 49 1.277 5.326 1.950 1.00 24.44 C ATOM 0 H LEU A 49 -3.470 6.170 1.342 1.00 1.52 H new ATOM 0 HA LEU A 49 -2.254 6.982 3.737 1.00 45.01 H new ATOM 0 HB2 LEU A 49 -1.416 5.118 2.434 1.00 25.34 H new ATOM 0 HB3 LEU A 49 -1.143 6.140 1.037 1.00 25.34 H new ATOM 0 HG LEU A 49 0.645 7.342 2.240 1.00 33.20 H new ATOM 0 HD11 LEU A 49 1.477 6.490 4.398 1.00 74.55 H new ATOM 0 HD12 LEU A 49 -0.189 7.104 4.523 1.00 74.55 H new ATOM 0 HD13 LEU A 49 0.111 5.350 4.467 1.00 74.55 H new ATOM 0 HD21 LEU A 49 2.297 5.511 2.285 1.00 24.44 H new ATOM 0 HD22 LEU A 49 0.973 4.323 2.250 1.00 24.44 H new ATOM 0 HD23 LEU A 49 1.231 5.409 0.864 1.00 24.44 H new ATOM 726 N ASN A 50 -1.710 8.997 1.163 1.00 61.32 N ATOM 727 CA ASN A 50 -1.242 10.332 0.787 1.00 21.53 C ATOM 728 C ASN A 50 -2.032 11.433 1.520 1.00 25.12 C ATOM 729 O ASN A 50 -1.525 12.536 1.730 1.00 75.11 O ATOM 730 CB ASN A 50 -1.343 10.520 -0.731 1.00 11.14 C ATOM 731 CG ASN A 50 -0.682 11.807 -1.196 1.00 53.01 C ATOM 732 OD1 ASN A 50 -1.318 12.851 -1.283 1.00 24.11 O ATOM 733 ND2 ASN A 50 0.601 11.746 -1.495 1.00 73.12 N ATOM 0 H ASN A 50 -2.085 8.450 0.388 1.00 61.32 H new ATOM 0 HA ASN A 50 -0.198 10.419 1.086 1.00 21.53 H new ATOM 0 HB2 ASN A 50 -0.876 9.672 -1.232 1.00 11.14 H new ATOM 0 HB3 ASN A 50 -2.392 10.526 -1.026 1.00 11.14 H new ATOM 0 HD21 ASN A 50 1.092 12.583 -1.809 1.00 73.12 H new ATOM 0 HD22 ASN A 50 1.102 10.862 -1.412 1.00 73.12 H new ATOM 740 N LYS A 51 -3.271 11.128 1.913 1.00 52.22 N ATOM 741 CA LYS A 51 -4.083 12.065 2.698 1.00 61.21 C ATOM 742 C LYS A 51 -3.404 12.401 4.033 1.00 41.25 C ATOM 743 O LYS A 51 -3.331 13.561 4.435 1.00 2.21 O ATOM 744 CB LYS A 51 -5.476 11.488 2.987 1.00 30.11 C ATOM 745 CG LYS A 51 -6.323 11.209 1.752 1.00 55.23 C ATOM 746 CD LYS A 51 -7.765 10.882 2.137 1.00 24.31 C ATOM 747 CE LYS A 51 -8.453 12.082 2.783 1.00 3.30 C ATOM 748 NZ LYS A 51 -9.819 11.761 3.272 1.00 42.35 N ATOM 0 H LYS A 51 -3.734 10.244 1.702 1.00 52.22 H new ATOM 0 HA LYS A 51 -4.184 12.972 2.102 1.00 61.21 H new ATOM 0 HB2 LYS A 51 -5.360 10.560 3.547 1.00 30.11 H new ATOM 0 HB3 LYS A 51 -6.015 12.184 3.630 1.00 30.11 H new ATOM 0 HG2 LYS A 51 -6.307 12.077 1.093 1.00 55.23 H new ATOM 0 HG3 LYS A 51 -5.895 10.377 1.194 1.00 55.23 H new ATOM 0 HD2 LYS A 51 -8.320 10.576 1.250 1.00 24.31 H new ATOM 0 HD3 LYS A 51 -7.777 10.038 2.827 1.00 24.31 H new ATOM 0 HE2 LYS A 51 -7.847 12.439 3.616 1.00 3.30 H new ATOM 0 HE3 LYS A 51 -8.512 12.896 2.060 1.00 3.30 H new ATOM 0 HZ1 LYS A 51 -10.242 12.608 3.701 1.00 42.35 H new ATOM 0 HZ2 LYS A 51 -10.408 11.446 2.475 1.00 42.35 H new ATOM 0 HZ3 LYS A 51 -9.764 11.004 3.983 1.00 42.35 H new ATOM 762 N LEU A 52 -2.919 11.369 4.717 1.00 40.40 N ATOM 763 CA LEU A 52 -2.279 11.537 6.024 1.00 62.45 C ATOM 764 C LEU A 52 -0.829 12.023 5.882 1.00 32.31 C ATOM 765 O LEU A 52 -0.391 12.910 6.617 1.00 14.20 O ATOM 766 CB LEU A 52 -2.323 10.215 6.808 1.00 54.21 C ATOM 767 CG LEU A 52 -3.732 9.649 7.058 1.00 73.11 C ATOM 768 CD1 LEU A 52 -3.660 8.358 7.871 1.00 22.40 C ATOM 769 CD2 LEU A 52 -4.617 10.680 7.761 1.00 72.44 C ATOM 0 H LEU A 52 -2.956 10.404 4.389 1.00 40.40 H new ATOM 0 HA LEU A 52 -2.833 12.298 6.573 1.00 62.45 H new ATOM 0 HB2 LEU A 52 -1.740 9.470 6.266 1.00 54.21 H new ATOM 0 HB3 LEU A 52 -1.833 10.365 7.770 1.00 54.21 H new ATOM 0 HG LEU A 52 -4.180 9.420 6.091 1.00 73.11 H new ATOM 0 HD11 LEU A 52 -4.667 7.975 8.036 1.00 22.40 H new ATOM 0 HD12 LEU A 52 -3.075 7.617 7.326 1.00 22.40 H new ATOM 0 HD13 LEU A 52 -3.186 8.559 8.832 1.00 22.40 H new ATOM 0 HD21 LEU A 52 -5.608 10.257 7.927 1.00 72.44 H new ATOM 0 HD22 LEU A 52 -4.172 10.948 8.719 1.00 72.44 H new ATOM 0 HD23 LEU A 52 -4.703 11.571 7.139 1.00 72.44 H new ATOM 781 N GLN A 53 -0.089 11.442 4.936 1.00 45.41 N ATOM 782 CA GLN A 53 1.317 11.812 4.713 1.00 12.22 C ATOM 783 C GLN A 53 1.596 12.161 3.238 1.00 30.21 C ATOM 784 O GLN A 53 2.080 11.325 2.474 1.00 40.52 O ATOM 785 CB GLN A 53 2.249 10.669 5.159 1.00 51.30 C ATOM 786 CG GLN A 53 2.244 10.401 6.662 1.00 42.32 C ATOM 787 CD GLN A 53 2.839 11.540 7.475 1.00 63.32 C ATOM 788 OE1 GLN A 53 4.037 11.583 7.728 1.00 20.41 O ATOM 789 NE2 GLN A 53 2.008 12.469 7.901 1.00 3.33 N ATOM 0 H GLN A 53 -0.436 10.714 4.311 1.00 45.41 H new ATOM 0 HA GLN A 53 1.514 12.701 5.311 1.00 12.22 H new ATOM 0 HB2 GLN A 53 1.959 9.756 4.639 1.00 51.30 H new ATOM 0 HB3 GLN A 53 3.267 10.904 4.848 1.00 51.30 H new ATOM 0 HG2 GLN A 53 1.219 10.226 6.990 1.00 42.32 H new ATOM 0 HG3 GLN A 53 2.804 9.488 6.864 1.00 42.32 H new ATOM 0 HE21 GLN A 53 1.015 12.408 7.675 1.00 3.33 H new ATOM 0 HE22 GLN A 53 2.357 13.250 8.457 1.00 3.33 H new ATOM 798 N PRO A 54 1.289 13.404 2.809 1.00 31.35 N ATOM 799 CA PRO A 54 1.612 13.872 1.447 1.00 15.21 C ATOM 800 C PRO A 54 3.122 14.106 1.260 1.00 72.30 C ATOM 801 O PRO A 54 3.612 14.262 0.138 1.00 73.03 O ATOM 802 CB PRO A 54 0.831 15.190 1.335 1.00 51.21 C ATOM 803 CG PRO A 54 0.703 15.676 2.740 1.00 14.31 C ATOM 804 CD PRO A 54 0.589 14.441 3.598 1.00 54.42 C ATOM 0 HA PRO A 54 1.345 13.144 0.681 1.00 15.21 H new ATOM 0 HB2 PRO A 54 1.360 15.912 0.713 1.00 51.21 H new ATOM 0 HB3 PRO A 54 -0.147 15.033 0.880 1.00 51.21 H new ATOM 0 HG2 PRO A 54 1.569 16.272 3.027 1.00 14.31 H new ATOM 0 HG3 PRO A 54 -0.174 16.313 2.854 1.00 14.31 H new ATOM 0 HD2 PRO A 54 1.055 14.586 4.573 1.00 54.42 H new ATOM 0 HD3 PRO A 54 -0.452 14.173 3.779 1.00 54.42 H new ATOM 812 N ASP A 55 3.845 14.131 2.377 1.00 23.51 N ATOM 813 CA ASP A 55 5.305 14.271 2.371 1.00 41.13 C ATOM 814 C ASP A 55 5.986 12.905 2.143 1.00 11.41 C ATOM 815 O ASP A 55 7.200 12.821 1.948 1.00 15.24 O ATOM 816 CB ASP A 55 5.756 14.883 3.705 1.00 25.12 C ATOM 817 CG ASP A 55 7.238 15.223 3.741 1.00 22.54 C ATOM 818 OD1 ASP A 55 7.681 16.054 2.916 1.00 44.52 O ATOM 819 OD2 ASP A 55 7.958 14.690 4.612 1.00 31.31 O ATOM 0 H ASP A 55 3.440 14.055 3.310 1.00 23.51 H new ATOM 0 HA ASP A 55 5.599 14.928 1.552 1.00 41.13 H new ATOM 0 HB2 ASP A 55 5.178 15.787 3.896 1.00 25.12 H new ATOM 0 HB3 ASP A 55 5.531 14.185 4.511 1.00 25.12 H new ATOM 824 N PHE A 56 5.186 11.841 2.163 1.00 53.11 N ATOM 825 CA PHE A 56 5.694 10.480 1.970 1.00 62.12 C ATOM 826 C PHE A 56 5.600 10.077 0.490 1.00 70.41 C ATOM 827 O PHE A 56 4.528 9.716 0.000 1.00 2.14 O ATOM 828 CB PHE A 56 4.891 9.505 2.845 1.00 72.32 C ATOM 829 CG PHE A 56 5.368 8.075 2.786 1.00 24.10 C ATOM 830 CD1 PHE A 56 6.492 7.678 3.494 1.00 15.51 C ATOM 831 CD2 PHE A 56 4.689 7.125 2.031 1.00 64.41 C ATOM 832 CE1 PHE A 56 6.930 6.369 3.452 1.00 3.45 C ATOM 833 CE2 PHE A 56 5.125 5.814 1.986 1.00 23.35 C ATOM 834 CZ PHE A 56 6.246 5.437 2.697 1.00 71.54 C ATOM 0 H PHE A 56 4.178 11.894 2.312 1.00 53.11 H new ATOM 0 HA PHE A 56 6.743 10.444 2.265 1.00 62.12 H new ATOM 0 HB2 PHE A 56 4.932 9.846 3.879 1.00 72.32 H new ATOM 0 HB3 PHE A 56 3.845 9.539 2.540 1.00 72.32 H new ATOM 0 HD1 PHE A 56 7.032 8.402 4.086 1.00 15.51 H new ATOM 0 HD2 PHE A 56 3.811 7.415 1.473 1.00 64.41 H new ATOM 0 HE1 PHE A 56 7.807 6.074 4.009 1.00 3.45 H new ATOM 0 HE2 PHE A 56 4.589 5.086 1.395 1.00 23.35 H new ATOM 0 HZ PHE A 56 6.588 4.413 2.663 1.00 71.54 H new ATOM 844 N ASP A 57 6.719 10.170 -0.225 1.00 53.41 N ATOM 845 CA ASP A 57 6.751 9.847 -1.655 1.00 13.00 C ATOM 846 C ASP A 57 7.875 8.842 -1.984 1.00 74.54 C ATOM 847 O ASP A 57 8.982 8.930 -1.447 1.00 75.01 O ATOM 848 CB ASP A 57 6.929 11.131 -2.468 1.00 2.34 C ATOM 849 CG ASP A 57 6.705 10.906 -3.949 1.00 22.40 C ATOM 850 OD1 ASP A 57 5.539 10.696 -4.348 1.00 72.03 O ATOM 851 OD2 ASP A 57 7.687 10.914 -4.715 1.00 54.20 O ATOM 0 H ASP A 57 7.616 10.466 0.159 1.00 53.41 H new ATOM 0 HA ASP A 57 5.804 9.377 -1.921 1.00 13.00 H new ATOM 0 HB2 ASP A 57 6.231 11.887 -2.107 1.00 2.34 H new ATOM 0 HB3 ASP A 57 7.934 11.523 -2.310 1.00 2.34 H new ATOM 856 N SER A 58 7.585 7.902 -2.884 1.00 13.24 N ATOM 857 CA SER A 58 8.537 6.839 -3.255 1.00 4.10 C ATOM 858 C SER A 58 9.822 7.394 -3.890 1.00 43.05 C ATOM 859 O SER A 58 10.916 6.875 -3.648 1.00 51.03 O ATOM 860 CB SER A 58 7.882 5.856 -4.234 1.00 1.30 C ATOM 861 OG SER A 58 7.577 6.485 -5.471 1.00 12.22 O ATOM 0 H SER A 58 6.693 7.850 -3.376 1.00 13.24 H new ATOM 0 HA SER A 58 8.810 6.329 -2.331 1.00 4.10 H new ATOM 0 HB2 SER A 58 8.550 5.013 -4.408 1.00 1.30 H new ATOM 0 HB3 SER A 58 6.970 5.454 -3.793 1.00 1.30 H new ATOM 0 HG SER A 58 8.341 6.400 -6.079 1.00 12.22 H new ATOM 867 N ARG A 59 9.691 8.450 -4.696 1.00 11.03 N ATOM 868 CA ARG A 59 10.843 9.022 -5.410 1.00 14.24 C ATOM 869 C ARG A 59 11.906 9.564 -4.441 1.00 11.14 C ATOM 870 O ARG A 59 13.094 9.618 -4.772 1.00 44.21 O ATOM 871 CB ARG A 59 10.384 10.121 -6.382 1.00 73.45 C ATOM 872 CG ARG A 59 9.483 9.610 -7.509 1.00 1.21 C ATOM 873 CD ARG A 59 10.199 8.597 -8.401 1.00 4.43 C ATOM 874 NE ARG A 59 9.337 8.087 -9.467 1.00 72.12 N ATOM 875 CZ ARG A 59 9.744 7.821 -10.682 1.00 3.13 C ATOM 876 NH1 ARG A 59 10.972 8.039 -11.032 1.00 43.43 N ATOM 877 NH2 ARG A 59 8.911 7.335 -11.545 1.00 53.54 N ATOM 0 H ARG A 59 8.806 8.926 -4.872 1.00 11.03 H new ATOM 0 HA ARG A 59 11.305 8.218 -5.983 1.00 14.24 H new ATOM 0 HB2 ARG A 59 9.850 10.889 -5.822 1.00 73.45 H new ATOM 0 HB3 ARG A 59 11.262 10.597 -6.819 1.00 73.45 H new ATOM 0 HG2 ARG A 59 8.593 9.150 -7.081 1.00 1.21 H new ATOM 0 HG3 ARG A 59 9.147 10.452 -8.114 1.00 1.21 H new ATOM 0 HD2 ARG A 59 11.080 9.064 -8.842 1.00 4.43 H new ATOM 0 HD3 ARG A 59 10.550 7.764 -7.792 1.00 4.43 H new ATOM 0 HE ARG A 59 8.353 7.928 -9.249 1.00 72.12 H new ATOM 0 HH11 ARG A 59 11.634 8.422 -10.357 1.00 43.43 H new ATOM 0 HH12 ARG A 59 11.277 7.827 -11.982 1.00 43.43 H new ATOM 0 HH21 ARG A 59 7.942 7.161 -11.277 1.00 53.54 H new ATOM 0 HH22 ARG A 59 9.223 7.126 -12.493 1.00 53.54 H new ATOM 891 N LEU A 60 11.480 9.947 -3.238 1.00 13.03 N ATOM 892 CA LEU A 60 12.407 10.390 -2.188 1.00 12.11 C ATOM 893 C LEU A 60 13.320 9.232 -1.736 1.00 23.43 C ATOM 894 O LEU A 60 14.467 9.442 -1.335 1.00 32.24 O ATOM 895 CB LEU A 60 11.617 10.941 -0.990 1.00 22.33 C ATOM 896 CG LEU A 60 10.668 12.111 -1.309 1.00 0.40 C ATOM 897 CD1 LEU A 60 9.882 12.522 -0.067 1.00 74.11 C ATOM 898 CD2 LEU A 60 11.445 13.297 -1.879 1.00 73.23 C ATOM 0 H LEU A 60 10.498 9.961 -2.962 1.00 13.03 H new ATOM 0 HA LEU A 60 13.037 11.181 -2.596 1.00 12.11 H new ATOM 0 HB2 LEU A 60 11.033 10.129 -0.557 1.00 22.33 H new ATOM 0 HB3 LEU A 60 12.325 11.267 -0.228 1.00 22.33 H new ATOM 0 HG LEU A 60 9.957 11.778 -2.065 1.00 0.40 H new ATOM 0 HD11 LEU A 60 9.218 13.350 -0.314 1.00 74.11 H new ATOM 0 HD12 LEU A 60 9.292 11.676 0.286 1.00 74.11 H new ATOM 0 HD13 LEU A 60 10.574 12.834 0.715 1.00 74.11 H new ATOM 0 HD21 LEU A 60 10.756 14.113 -2.097 1.00 73.23 H new ATOM 0 HD22 LEU A 60 12.184 13.632 -1.151 1.00 73.23 H new ATOM 0 HD23 LEU A 60 11.951 12.994 -2.796 1.00 73.23 H new ATOM 910 N TYR A 61 12.797 8.006 -1.813 1.00 64.15 N ATOM 911 CA TYR A 61 13.560 6.803 -1.448 1.00 3.43 C ATOM 912 C TYR A 61 14.290 6.200 -2.661 1.00 15.44 C ATOM 913 O TYR A 61 15.063 5.253 -2.523 1.00 5.55 O ATOM 914 CB TYR A 61 12.624 5.751 -0.835 1.00 33.24 C ATOM 915 CG TYR A 61 11.948 6.210 0.441 1.00 1.20 C ATOM 916 CD1 TYR A 61 12.550 6.005 1.678 1.00 4.33 C ATOM 917 CD2 TYR A 61 10.712 6.849 0.412 1.00 40.44 C ATOM 918 CE1 TYR A 61 11.946 6.427 2.843 1.00 62.14 C ATOM 919 CE2 TYR A 61 10.103 7.276 1.576 1.00 1.44 C ATOM 920 CZ TYR A 61 10.723 7.058 2.788 1.00 51.03 C ATOM 921 OH TYR A 61 10.123 7.482 3.952 1.00 41.43 O ATOM 0 H TYR A 61 11.845 7.817 -2.126 1.00 64.15 H new ATOM 0 HA TYR A 61 14.311 7.100 -0.716 1.00 3.43 H new ATOM 0 HB2 TYR A 61 11.860 5.487 -1.566 1.00 33.24 H new ATOM 0 HB3 TYR A 61 13.195 4.846 -0.629 1.00 33.24 H new ATOM 0 HD1 TYR A 61 13.507 5.507 1.727 1.00 4.33 H new ATOM 0 HD2 TYR A 61 10.221 7.014 -0.536 1.00 40.44 H new ATOM 0 HE1 TYR A 61 12.430 6.264 3.795 1.00 62.14 H new ATOM 0 HE2 TYR A 61 9.147 7.777 1.537 1.00 1.44 H new ATOM 0 HH TYR A 61 9.149 7.457 3.846 1.00 41.43 H new ATOM 931 N GLY A 62 14.038 6.751 -3.846 1.00 63.23 N ATOM 932 CA GLY A 62 14.662 6.240 -5.066 1.00 72.24 C ATOM 933 C GLY A 62 13.829 5.170 -5.771 1.00 74.24 C ATOM 934 O GLY A 62 14.322 4.480 -6.663 1.00 3.12 O ATOM 0 H GLY A 62 13.412 7.544 -3.988 1.00 63.23 H new ATOM 0 HA2 GLY A 62 14.832 7.069 -5.753 1.00 72.24 H new ATOM 0 HA3 GLY A 62 15.639 5.825 -4.819 1.00 72.24 H new ATOM 938 N TYR A 63 12.567 5.027 -5.367 1.00 73.43 N ATOM 939 CA TYR A 63 11.657 4.047 -5.975 1.00 74.51 C ATOM 940 C TYR A 63 10.741 4.694 -7.021 1.00 50.13 C ATOM 941 O TYR A 63 10.252 5.810 -6.832 1.00 42.22 O ATOM 942 CB TYR A 63 10.825 3.351 -4.891 1.00 4.34 C ATOM 943 CG TYR A 63 11.637 2.392 -4.042 1.00 54.43 C ATOM 944 CD1 TYR A 63 12.472 2.845 -3.029 1.00 65.35 C ATOM 945 CD2 TYR A 63 11.570 1.025 -4.269 1.00 51.41 C ATOM 946 CE1 TYR A 63 13.219 1.960 -2.273 1.00 62.30 C ATOM 947 CE2 TYR A 63 12.305 0.139 -3.522 1.00 61.31 C ATOM 948 CZ TYR A 63 13.129 0.606 -2.521 1.00 44.51 C ATOM 949 OH TYR A 63 13.871 -0.282 -1.772 1.00 51.20 O ATOM 0 H TYR A 63 12.147 5.578 -4.619 1.00 73.43 H new ATOM 0 HA TYR A 63 12.266 3.303 -6.489 1.00 74.51 H new ATOM 0 HB2 TYR A 63 10.375 4.106 -4.246 1.00 4.34 H new ATOM 0 HB3 TYR A 63 10.007 2.806 -5.363 1.00 4.34 H new ATOM 0 HD1 TYR A 63 12.539 3.904 -2.829 1.00 65.35 H new ATOM 0 HD2 TYR A 63 10.926 0.650 -5.050 1.00 51.41 H new ATOM 0 HE1 TYR A 63 13.869 2.327 -1.493 1.00 62.30 H new ATOM 0 HE2 TYR A 63 12.238 -0.921 -3.718 1.00 61.31 H new ATOM 0 HH TYR A 63 14.348 -0.895 -2.369 1.00 51.20 H new ATOM 959 N LYS A 64 10.491 3.971 -8.113 1.00 25.43 N ATOM 960 CA LYS A 64 9.751 4.516 -9.263 1.00 1.22 C ATOM 961 C LYS A 64 8.278 4.807 -8.923 1.00 4.14 C ATOM 962 O LYS A 64 7.692 5.766 -9.428 1.00 25.23 O ATOM 963 CB LYS A 64 9.846 3.551 -10.454 1.00 53.12 C ATOM 964 CG LYS A 64 11.279 3.137 -10.798 1.00 54.54 C ATOM 965 CD LYS A 64 12.191 4.347 -11.006 1.00 21.40 C ATOM 966 CE LYS A 64 13.640 3.935 -11.265 1.00 70.11 C ATOM 967 NZ LYS A 64 13.803 3.215 -12.554 1.00 1.23 N ATOM 0 H LYS A 64 10.789 3.003 -8.230 1.00 25.43 H new ATOM 0 HA LYS A 64 10.212 5.467 -9.529 1.00 1.22 H new ATOM 0 HB2 LYS A 64 9.262 2.657 -10.234 1.00 53.12 H new ATOM 0 HB3 LYS A 64 9.393 4.020 -11.327 1.00 53.12 H new ATOM 0 HG2 LYS A 64 11.679 2.515 -9.997 1.00 54.54 H new ATOM 0 HG3 LYS A 64 11.273 2.528 -11.702 1.00 54.54 H new ATOM 0 HD2 LYS A 64 11.826 4.936 -11.847 1.00 21.40 H new ATOM 0 HD3 LYS A 64 12.148 4.988 -10.126 1.00 21.40 H new ATOM 0 HE2 LYS A 64 14.273 4.823 -11.265 1.00 70.11 H new ATOM 0 HE3 LYS A 64 13.985 3.298 -10.450 1.00 70.11 H new ATOM 0 HZ1 LYS A 64 14.809 3.002 -12.708 1.00 1.23 H new ATOM 0 HZ2 LYS A 64 13.261 2.328 -12.527 1.00 1.23 H new ATOM 0 HZ3 LYS A 64 13.453 3.811 -13.331 1.00 1.23 H new ATOM 981 N LYS A 65 7.686 3.976 -8.070 1.00 3.44 N ATOM 982 CA LYS A 65 6.306 4.185 -7.613 1.00 42.45 C ATOM 983 C LYS A 65 6.095 3.601 -6.205 1.00 74.33 C ATOM 984 O LYS A 65 6.977 2.928 -5.668 1.00 73.51 O ATOM 985 CB LYS A 65 5.302 3.567 -8.603 1.00 1.12 C ATOM 986 CG LYS A 65 5.578 2.102 -8.943 1.00 42.23 C ATOM 987 CD LYS A 65 4.467 1.486 -9.797 1.00 14.52 C ATOM 988 CE LYS A 65 4.204 2.284 -11.072 1.00 31.25 C ATOM 989 NZ LYS A 65 5.407 2.379 -11.940 1.00 62.10 N ATOM 0 H LYS A 65 8.137 3.149 -7.678 1.00 3.44 H new ATOM 0 HA LYS A 65 6.131 5.260 -7.567 1.00 42.45 H new ATOM 0 HB2 LYS A 65 4.299 3.648 -8.184 1.00 1.12 H new ATOM 0 HB3 LYS A 65 5.311 4.150 -9.524 1.00 1.12 H new ATOM 0 HG2 LYS A 65 6.526 2.027 -9.475 1.00 42.23 H new ATOM 0 HG3 LYS A 65 5.684 1.531 -8.021 1.00 42.23 H new ATOM 0 HD2 LYS A 65 4.739 0.464 -10.061 1.00 14.52 H new ATOM 0 HD3 LYS A 65 3.550 1.430 -9.211 1.00 14.52 H new ATOM 0 HE2 LYS A 65 3.393 1.815 -11.630 1.00 31.25 H new ATOM 0 HE3 LYS A 65 3.870 3.287 -10.807 1.00 31.25 H new ATOM 0 HZ1 LYS A 65 5.156 2.856 -12.830 1.00 62.10 H new ATOM 0 HZ2 LYS A 65 6.146 2.924 -11.451 1.00 62.10 H new ATOM 0 HZ3 LYS A 65 5.762 1.424 -12.147 1.00 62.10 H new ATOM 1003 N LEU A 66 4.923 3.850 -5.613 1.00 52.40 N ATOM 1004 CA LEU A 66 4.646 3.420 -4.234 1.00 3.25 C ATOM 1005 C LEU A 66 4.712 1.889 -4.079 1.00 13.13 C ATOM 1006 O LEU A 66 5.349 1.383 -3.157 1.00 4.34 O ATOM 1007 CB LEU A 66 3.276 3.938 -3.765 1.00 53.43 C ATOM 1008 CG LEU A 66 2.903 3.577 -2.316 1.00 24.01 C ATOM 1009 CD1 LEU A 66 3.935 4.126 -1.330 1.00 64.31 C ATOM 1010 CD2 LEU A 66 1.506 4.091 -1.972 1.00 14.34 C ATOM 0 H LEU A 66 4.152 4.345 -6.062 1.00 52.40 H new ATOM 0 HA LEU A 66 5.425 3.851 -3.605 1.00 3.25 H new ATOM 0 HB2 LEU A 66 3.260 5.023 -3.868 1.00 53.43 H new ATOM 0 HB3 LEU A 66 2.508 3.543 -4.431 1.00 53.43 H new ATOM 0 HG LEU A 66 2.900 2.490 -2.232 1.00 24.01 H new ATOM 0 HD11 LEU A 66 3.647 3.856 -0.314 1.00 64.31 H new ATOM 0 HD12 LEU A 66 4.914 3.702 -1.554 1.00 64.31 H new ATOM 0 HD13 LEU A 66 3.981 5.211 -1.418 1.00 64.31 H new ATOM 0 HD21 LEU A 66 1.263 3.825 -0.943 1.00 14.34 H new ATOM 0 HD22 LEU A 66 1.480 5.175 -2.082 1.00 14.34 H new ATOM 0 HD23 LEU A 66 0.777 3.641 -2.645 1.00 14.34 H new ATOM 1022 N SER A 67 4.058 1.157 -4.984 1.00 21.31 N ATOM 1023 CA SER A 67 4.059 -0.319 -4.933 1.00 5.32 C ATOM 1024 C SER A 67 5.489 -0.877 -4.931 1.00 74.43 C ATOM 1025 O SER A 67 5.791 -1.842 -4.225 1.00 2.22 O ATOM 1026 CB SER A 67 3.287 -0.908 -6.123 1.00 63.23 C ATOM 1027 OG SER A 67 3.929 -0.613 -7.354 1.00 44.41 O ATOM 0 H SER A 67 3.523 1.552 -5.758 1.00 21.31 H new ATOM 0 HA SER A 67 3.567 -0.609 -4.005 1.00 5.32 H new ATOM 0 HB2 SER A 67 3.202 -1.988 -6.005 1.00 63.23 H new ATOM 0 HB3 SER A 67 2.273 -0.508 -6.135 1.00 63.23 H new ATOM 0 HG SER A 67 3.415 -1.002 -8.092 1.00 44.41 H new ATOM 1033 N ASP A 68 6.362 -0.249 -5.721 1.00 21.31 N ATOM 1034 CA ASP A 68 7.777 -0.634 -5.810 1.00 10.14 C ATOM 1035 C ASP A 68 8.437 -0.582 -4.417 1.00 32.44 C ATOM 1036 O ASP A 68 9.260 -1.432 -4.064 1.00 72.12 O ATOM 1037 CB ASP A 68 8.496 0.316 -6.783 1.00 71.51 C ATOM 1038 CG ASP A 68 9.886 -0.150 -7.179 1.00 11.33 C ATOM 1039 OD1 ASP A 68 10.062 -1.362 -7.420 1.00 21.34 O ATOM 1040 OD2 ASP A 68 10.796 0.697 -7.300 1.00 11.23 O ATOM 0 H ASP A 68 6.111 0.540 -6.317 1.00 21.31 H new ATOM 0 HA ASP A 68 7.853 -1.656 -6.181 1.00 10.14 H new ATOM 0 HB2 ASP A 68 7.890 0.427 -7.682 1.00 71.51 H new ATOM 0 HB3 ASP A 68 8.570 1.302 -6.325 1.00 71.51 H new ATOM 1045 N LEU A 69 8.046 0.420 -3.631 1.00 44.11 N ATOM 1046 CA LEU A 69 8.533 0.584 -2.256 1.00 22.33 C ATOM 1047 C LEU A 69 7.871 -0.423 -1.299 1.00 65.31 C ATOM 1048 O LEU A 69 8.551 -1.108 -0.532 1.00 23.43 O ATOM 1049 CB LEU A 69 8.251 2.016 -1.778 1.00 1.20 C ATOM 1050 CG LEU A 69 8.648 2.322 -0.322 1.00 42.41 C ATOM 1051 CD1 LEU A 69 10.162 2.241 -0.140 1.00 60.40 C ATOM 1052 CD2 LEU A 69 8.121 3.692 0.100 1.00 14.44 C ATOM 0 H LEU A 69 7.386 1.140 -3.925 1.00 44.11 H new ATOM 0 HA LEU A 69 9.607 0.395 -2.252 1.00 22.33 H new ATOM 0 HB2 LEU A 69 8.779 2.709 -2.433 1.00 1.20 H new ATOM 0 HB3 LEU A 69 7.186 2.216 -1.895 1.00 1.20 H new ATOM 0 HG LEU A 69 8.194 1.568 0.321 1.00 42.41 H new ATOM 0 HD11 LEU A 69 10.416 2.461 0.897 1.00 60.40 H new ATOM 0 HD12 LEU A 69 10.506 1.238 -0.393 1.00 60.40 H new ATOM 0 HD13 LEU A 69 10.646 2.966 -0.794 1.00 60.40 H new ATOM 0 HD21 LEU A 69 8.411 3.891 1.132 1.00 14.44 H new ATOM 0 HD22 LEU A 69 8.541 4.459 -0.550 1.00 14.44 H new ATOM 0 HD23 LEU A 69 7.034 3.704 0.020 1.00 14.44 H new ATOM 1064 N VAL A 70 6.539 -0.506 -1.354 1.00 14.14 N ATOM 1065 CA VAL A 70 5.767 -1.381 -0.457 1.00 60.44 C ATOM 1066 C VAL A 70 6.254 -2.841 -0.514 1.00 63.30 C ATOM 1067 O VAL A 70 6.533 -3.451 0.519 1.00 10.03 O ATOM 1068 CB VAL A 70 4.249 -1.328 -0.787 1.00 24.24 C ATOM 1069 CG1 VAL A 70 3.453 -2.238 0.148 1.00 43.11 C ATOM 1070 CG2 VAL A 70 3.727 0.107 -0.711 1.00 54.31 C ATOM 0 H VAL A 70 5.967 0.023 -2.012 1.00 14.14 H new ATOM 0 HA VAL A 70 5.927 -1.005 0.554 1.00 60.44 H new ATOM 0 HB VAL A 70 4.116 -1.689 -1.807 1.00 24.24 H new ATOM 0 HG11 VAL A 70 2.394 -2.182 -0.104 1.00 43.11 H new ATOM 0 HG12 VAL A 70 3.799 -3.266 0.037 1.00 43.11 H new ATOM 0 HG13 VAL A 70 3.598 -1.916 1.179 1.00 43.11 H new ATOM 0 HG21 VAL A 70 2.663 0.120 -0.946 1.00 54.31 H new ATOM 0 HG22 VAL A 70 3.882 0.498 0.295 1.00 54.31 H new ATOM 0 HG23 VAL A 70 4.264 0.728 -1.428 1.00 54.31 H new ATOM 1080 N LYS A 71 6.372 -3.391 -1.723 1.00 3.22 N ATOM 1081 CA LYS A 71 6.836 -4.774 -1.897 1.00 43.34 C ATOM 1082 C LYS A 71 8.296 -4.941 -1.441 1.00 13.14 C ATOM 1083 O LYS A 71 8.738 -6.044 -1.119 1.00 44.11 O ATOM 1084 CB LYS A 71 6.692 -5.210 -3.364 1.00 43.31 C ATOM 1085 CG LYS A 71 7.571 -4.425 -4.338 1.00 11.53 C ATOM 1086 CD LYS A 71 7.424 -4.909 -5.783 1.00 42.21 C ATOM 1087 CE LYS A 71 8.114 -6.253 -6.033 1.00 41.53 C ATOM 1088 NZ LYS A 71 7.430 -7.392 -5.364 1.00 63.13 N ATOM 0 H LYS A 71 6.155 -2.906 -2.594 1.00 3.22 H new ATOM 0 HA LYS A 71 6.211 -5.411 -1.271 1.00 43.34 H new ATOM 0 HB2 LYS A 71 6.937 -6.269 -3.443 1.00 43.31 H new ATOM 0 HB3 LYS A 71 5.650 -5.101 -3.663 1.00 43.31 H new ATOM 0 HG2 LYS A 71 7.312 -3.368 -4.285 1.00 11.53 H new ATOM 0 HG3 LYS A 71 8.614 -4.513 -4.033 1.00 11.53 H new ATOM 0 HD2 LYS A 71 6.365 -4.999 -6.025 1.00 42.21 H new ATOM 0 HD3 LYS A 71 7.842 -4.161 -6.456 1.00 42.21 H new ATOM 0 HE2 LYS A 71 8.154 -6.440 -7.106 1.00 41.53 H new ATOM 0 HE3 LYS A 71 9.144 -6.197 -5.680 1.00 41.53 H new ATOM 0 HZ1 LYS A 71 7.474 -8.231 -5.977 1.00 63.13 H new ATOM 0 HZ2 LYS A 71 7.902 -7.598 -4.460 1.00 63.13 H new ATOM 0 HZ3 LYS A 71 6.436 -7.144 -5.187 1.00 63.13 H new ATOM 1102 N ALA A 72 9.040 -3.839 -1.416 1.00 12.30 N ATOM 1103 CA ALA A 72 10.446 -3.859 -1.005 1.00 30.02 C ATOM 1104 C ALA A 72 10.602 -3.679 0.512 1.00 41.32 C ATOM 1105 O ALA A 72 11.719 -3.680 1.037 1.00 10.05 O ATOM 1106 CB ALA A 72 11.216 -2.776 -1.751 1.00 65.11 C ATOM 0 H ALA A 72 8.693 -2.916 -1.676 1.00 12.30 H new ATOM 0 HA ALA A 72 10.856 -4.837 -1.258 1.00 30.02 H new ATOM 0 HB1 ALA A 72 12.261 -2.794 -1.442 1.00 65.11 H new ATOM 0 HB2 ALA A 72 11.151 -2.957 -2.824 1.00 65.11 H new ATOM 0 HB3 ALA A 72 10.787 -1.801 -1.521 1.00 65.11 H new ATOM 1112 N ARG A 73 9.481 -3.510 1.215 1.00 21.54 N ATOM 1113 CA ARG A 73 9.487 -3.333 2.674 1.00 41.34 C ATOM 1114 C ARG A 73 8.565 -4.351 3.361 1.00 4.30 C ATOM 1115 O ARG A 73 7.705 -3.985 4.164 1.00 0.32 O ATOM 1116 CB ARG A 73 9.064 -1.899 3.042 1.00 22.22 C ATOM 1117 CG ARG A 73 9.960 -0.815 2.450 1.00 72.11 C ATOM 1118 CD ARG A 73 11.417 -0.966 2.894 1.00 24.04 C ATOM 1119 NE ARG A 73 12.285 0.047 2.291 1.00 1.11 N ATOM 1120 CZ ARG A 73 12.989 -0.139 1.206 1.00 64.32 C ATOM 1121 NH1 ARG A 73 12.994 -1.283 0.604 1.00 21.54 N ATOM 1122 NH2 ARG A 73 13.706 0.820 0.734 1.00 42.35 N ATOM 0 H ARG A 73 8.551 -3.491 0.797 1.00 21.54 H new ATOM 0 HA ARG A 73 10.504 -3.504 3.028 1.00 41.34 H new ATOM 0 HB2 ARG A 73 8.041 -1.735 2.703 1.00 22.22 H new ATOM 0 HB3 ARG A 73 9.060 -1.800 4.127 1.00 22.22 H new ATOM 0 HG2 ARG A 73 9.907 -0.856 1.362 1.00 72.11 H new ATOM 0 HG3 ARG A 73 9.590 0.165 2.751 1.00 72.11 H new ATOM 0 HD2 ARG A 73 11.474 -0.891 3.980 1.00 24.04 H new ATOM 0 HD3 ARG A 73 11.777 -1.959 2.623 1.00 24.04 H new ATOM 0 HE ARG A 73 12.344 0.957 2.748 1.00 1.11 H new ATOM 0 HH11 ARG A 73 12.443 -2.057 0.975 1.00 21.54 H new ATOM 0 HH12 ARG A 73 13.549 -1.412 -0.242 1.00 21.54 H new ATOM 0 HH21 ARG A 73 13.724 1.724 1.207 1.00 42.35 H new ATOM 0 HH22 ARG A 73 14.256 0.676 -0.113 1.00 42.35 H new ATOM 1136 N THR A 74 8.770 -5.633 3.057 1.00 72.11 N ATOM 1137 CA THR A 74 7.962 -6.722 3.638 1.00 24.15 C ATOM 1138 C THR A 74 8.078 -6.775 5.170 1.00 33.22 C ATOM 1139 O THR A 74 7.240 -7.374 5.850 1.00 51.01 O ATOM 1140 CB THR A 74 8.369 -8.101 3.064 1.00 11.52 C ATOM 1141 OG1 THR A 74 9.753 -8.367 3.350 1.00 53.00 O ATOM 1142 CG2 THR A 74 8.140 -8.161 1.556 1.00 63.41 C ATOM 0 H THR A 74 9.491 -5.951 2.409 1.00 72.11 H new ATOM 0 HA THR A 74 6.929 -6.504 3.368 1.00 24.15 H new ATOM 0 HB THR A 74 7.745 -8.858 3.539 1.00 11.52 H new ATOM 0 HG1 THR A 74 10.000 -9.242 2.984 1.00 53.00 H new ATOM 0 HG21 THR A 74 8.435 -9.141 1.182 1.00 63.41 H new ATOM 0 HG22 THR A 74 7.085 -7.993 1.341 1.00 63.41 H new ATOM 0 HG23 THR A 74 8.737 -7.391 1.066 1.00 63.41 H new ATOM 1150 N ASP A 75 9.132 -6.157 5.704 1.00 11.33 N ATOM 1151 CA ASP A 75 9.325 -6.026 7.155 1.00 43.12 C ATOM 1152 C ASP A 75 8.160 -5.256 7.809 1.00 61.24 C ATOM 1153 O ASP A 75 7.843 -5.463 8.984 1.00 74.53 O ATOM 1154 CB ASP A 75 10.660 -5.314 7.428 1.00 21.01 C ATOM 1155 CG ASP A 75 10.965 -5.158 8.910 1.00 62.20 C ATOM 1156 OD1 ASP A 75 11.210 -6.182 9.584 1.00 52.45 O ATOM 1157 OD2 ASP A 75 10.990 -4.012 9.408 1.00 73.02 O ATOM 0 H ASP A 75 9.875 -5.733 5.148 1.00 11.33 H new ATOM 0 HA ASP A 75 9.346 -7.023 7.595 1.00 43.12 H new ATOM 0 HB2 ASP A 75 11.466 -5.874 6.955 1.00 21.01 H new ATOM 0 HB3 ASP A 75 10.641 -4.329 6.962 1.00 21.01 H new ATOM 1162 N LEU A 76 7.527 -4.374 7.035 1.00 31.04 N ATOM 1163 CA LEU A 76 6.395 -3.571 7.516 1.00 13.01 C ATOM 1164 C LEU A 76 5.077 -3.962 6.825 1.00 11.04 C ATOM 1165 O LEU A 76 4.020 -4.012 7.462 1.00 20.15 O ATOM 1166 CB LEU A 76 6.672 -2.078 7.276 1.00 44.53 C ATOM 1167 CG LEU A 76 7.872 -1.494 8.041 1.00 25.25 C ATOM 1168 CD1 LEU A 76 8.118 -0.042 7.632 1.00 11.12 C ATOM 1169 CD2 LEU A 76 7.649 -1.595 9.549 1.00 33.31 C ATOM 0 H LEU A 76 7.780 -4.194 6.063 1.00 31.04 H new ATOM 0 HA LEU A 76 6.287 -3.766 8.583 1.00 13.01 H new ATOM 0 HB2 LEU A 76 6.834 -1.924 6.209 1.00 44.53 H new ATOM 0 HB3 LEU A 76 5.780 -1.513 7.548 1.00 44.53 H new ATOM 0 HG LEU A 76 8.757 -2.077 7.784 1.00 25.25 H new ATOM 0 HD11 LEU A 76 8.971 0.352 8.185 1.00 11.12 H new ATOM 0 HD12 LEU A 76 8.325 0.005 6.563 1.00 11.12 H new ATOM 0 HD13 LEU A 76 7.233 0.554 7.856 1.00 11.12 H new ATOM 0 HD21 LEU A 76 8.509 -1.177 10.073 1.00 33.31 H new ATOM 0 HD22 LEU A 76 6.752 -1.039 9.822 1.00 33.31 H new ATOM 0 HD23 LEU A 76 7.527 -2.641 9.830 1.00 33.31 H new ATOM 1181 N PHE A 77 5.141 -4.239 5.523 1.00 65.14 N ATOM 1182 CA PHE A 77 3.931 -4.475 4.721 1.00 61.31 C ATOM 1183 C PHE A 77 3.904 -5.885 4.104 1.00 63.24 C ATOM 1184 O PHE A 77 4.865 -6.319 3.471 1.00 35.12 O ATOM 1185 CB PHE A 77 3.834 -3.426 3.598 1.00 63.42 C ATOM 1186 CG PHE A 77 4.015 -2.005 4.077 1.00 4.33 C ATOM 1187 CD1 PHE A 77 3.204 -1.489 5.078 1.00 44.11 C ATOM 1188 CD2 PHE A 77 5.007 -1.192 3.538 1.00 40.34 C ATOM 1189 CE1 PHE A 77 3.376 -0.194 5.527 1.00 62.55 C ATOM 1190 CE2 PHE A 77 5.178 0.104 3.983 1.00 61.21 C ATOM 1191 CZ PHE A 77 4.365 0.603 4.982 1.00 14.54 C ATOM 0 H PHE A 77 6.013 -4.306 4.998 1.00 65.14 H new ATOM 0 HA PHE A 77 3.077 -4.390 5.394 1.00 61.31 H new ATOM 0 HB2 PHE A 77 4.589 -3.644 2.843 1.00 63.42 H new ATOM 0 HB3 PHE A 77 2.862 -3.515 3.112 1.00 63.42 H new ATOM 0 HD1 PHE A 77 2.430 -2.106 5.510 1.00 44.11 H new ATOM 0 HD2 PHE A 77 5.651 -1.579 2.762 1.00 40.34 H new ATOM 0 HE1 PHE A 77 2.737 0.196 6.305 1.00 62.55 H new ATOM 0 HE2 PHE A 77 5.947 0.727 3.550 1.00 61.21 H new ATOM 0 HZ PHE A 77 4.502 1.614 5.337 1.00 14.54 H new ATOM 1201 N VAL A 78 2.793 -6.594 4.291 1.00 13.15 N ATOM 1202 CA VAL A 78 2.574 -7.889 3.635 1.00 24.42 C ATOM 1203 C VAL A 78 1.889 -7.690 2.274 1.00 10.12 C ATOM 1204 O VAL A 78 0.783 -7.144 2.201 1.00 15.12 O ATOM 1205 CB VAL A 78 1.702 -8.829 4.508 1.00 10.41 C ATOM 1206 CG1 VAL A 78 1.485 -10.175 3.815 1.00 23.24 C ATOM 1207 CG2 VAL A 78 2.325 -9.016 5.893 1.00 33.43 C ATOM 0 H VAL A 78 2.026 -6.295 4.893 1.00 13.15 H new ATOM 0 HA VAL A 78 3.551 -8.351 3.494 1.00 24.42 H new ATOM 0 HB VAL A 78 0.726 -8.362 4.639 1.00 10.41 H new ATOM 0 HG11 VAL A 78 0.871 -10.815 4.448 1.00 23.24 H new ATOM 0 HG12 VAL A 78 0.981 -10.016 2.862 1.00 23.24 H new ATOM 0 HG13 VAL A 78 2.448 -10.654 3.641 1.00 23.24 H new ATOM 0 HG21 VAL A 78 1.697 -9.679 6.488 1.00 33.43 H new ATOM 0 HG22 VAL A 78 3.318 -9.454 5.789 1.00 33.43 H new ATOM 0 HG23 VAL A 78 2.405 -8.049 6.390 1.00 33.43 H new ATOM 1217 N THR A 79 2.543 -8.138 1.201 1.00 55.35 N ATOM 1218 CA THR A 79 2.033 -7.925 -0.163 1.00 50.13 C ATOM 1219 C THR A 79 1.680 -9.249 -0.852 1.00 0.02 C ATOM 1220 O THR A 79 2.492 -10.177 -0.897 1.00 41.42 O ATOM 1221 CB THR A 79 3.079 -7.188 -1.041 1.00 61.40 C ATOM 1222 OG1 THR A 79 4.226 -8.025 -1.264 1.00 74.44 O ATOM 1223 CG2 THR A 79 3.526 -5.888 -0.385 1.00 43.34 C ATOM 0 H THR A 79 3.424 -8.649 1.245 1.00 55.35 H new ATOM 0 HA THR A 79 1.133 -7.318 -0.063 1.00 50.13 H new ATOM 0 HB THR A 79 2.606 -6.957 -1.995 1.00 61.40 H new ATOM 0 HG1 THR A 79 3.961 -8.966 -1.201 1.00 74.44 H new ATOM 0 HG21 THR A 79 4.259 -5.392 -1.022 1.00 43.34 H new ATOM 0 HG22 THR A 79 2.664 -5.235 -0.247 1.00 43.34 H new ATOM 0 HG23 THR A 79 3.975 -6.105 0.584 1.00 43.34 H new ATOM 1231 N GLU A 80 0.469 -9.326 -1.411 1.00 63.24 N ATOM 1232 CA GLU A 80 0.032 -10.508 -2.172 1.00 72.33 C ATOM 1233 C GLU A 80 -0.874 -10.107 -3.349 1.00 51.13 C ATOM 1234 O GLU A 80 -1.827 -9.339 -3.190 1.00 20.42 O ATOM 1235 CB GLU A 80 -0.695 -11.520 -1.262 1.00 22.42 C ATOM 1236 CG GLU A 80 0.213 -12.201 -0.235 1.00 3.20 C ATOM 1237 CD GLU A 80 -0.491 -13.293 0.564 1.00 40.12 C ATOM 1238 OE1 GLU A 80 -0.888 -14.316 -0.043 1.00 34.22 O ATOM 1239 OE2 GLU A 80 -0.633 -13.143 1.797 1.00 64.11 O ATOM 0 H GLU A 80 -0.229 -8.585 -1.353 1.00 63.24 H new ATOM 0 HA GLU A 80 0.926 -10.986 -2.572 1.00 72.33 H new ATOM 0 HB2 GLU A 80 -1.500 -11.007 -0.736 1.00 22.42 H new ATOM 0 HB3 GLU A 80 -1.159 -12.285 -1.885 1.00 22.42 H new ATOM 0 HG2 GLU A 80 1.071 -12.633 -0.749 1.00 3.20 H new ATOM 0 HG3 GLU A 80 0.599 -11.449 0.453 1.00 3.20 H new ATOM 1246 N GLU A 81 -0.562 -10.631 -4.531 1.00 52.14 N ATOM 1247 CA GLU A 81 -1.311 -10.312 -5.752 1.00 34.03 C ATOM 1248 C GLU A 81 -2.491 -11.272 -5.947 1.00 54.14 C ATOM 1249 O GLU A 81 -2.312 -12.488 -6.038 1.00 4.52 O ATOM 1250 CB GLU A 81 -0.376 -10.379 -6.963 1.00 0.25 C ATOM 1251 CG GLU A 81 0.847 -9.474 -6.842 1.00 55.32 C ATOM 1252 CD GLU A 81 1.852 -9.696 -7.958 1.00 61.52 C ATOM 1253 OE1 GLU A 81 2.410 -10.812 -8.041 1.00 22.24 O ATOM 1254 OE2 GLU A 81 2.088 -8.765 -8.756 1.00 53.24 O ATOM 0 H GLU A 81 0.209 -11.283 -4.674 1.00 52.14 H new ATOM 0 HA GLU A 81 -1.711 -9.303 -5.654 1.00 34.03 H new ATOM 0 HB2 GLU A 81 -0.044 -11.408 -7.098 1.00 0.25 H new ATOM 0 HB3 GLU A 81 -0.934 -10.104 -7.858 1.00 0.25 H new ATOM 0 HG2 GLU A 81 0.526 -8.433 -6.850 1.00 55.32 H new ATOM 0 HG3 GLU A 81 1.331 -9.651 -5.882 1.00 55.32 H new ATOM 1261 N ARG A 82 -3.698 -10.718 -6.022 1.00 53.34 N ATOM 1262 CA ARG A 82 -4.919 -11.524 -6.137 1.00 51.45 C ATOM 1263 C ARG A 82 -5.645 -11.249 -7.463 1.00 13.40 C ATOM 1264 O ARG A 82 -5.716 -10.105 -7.920 1.00 31.02 O ATOM 1265 CB ARG A 82 -5.857 -11.223 -4.958 1.00 3.33 C ATOM 1266 CG ARG A 82 -5.200 -11.376 -3.584 1.00 12.55 C ATOM 1267 CD ARG A 82 -4.751 -12.810 -3.316 1.00 11.55 C ATOM 1268 NE ARG A 82 -5.879 -13.739 -3.253 1.00 34.31 N ATOM 1269 CZ ARG A 82 -5.761 -15.027 -3.058 1.00 53.22 C ATOM 1270 NH1 ARG A 82 -4.594 -15.573 -2.912 1.00 13.34 N ATOM 1271 NH2 ARG A 82 -6.817 -15.772 -2.996 1.00 22.11 N ATOM 0 H ARG A 82 -3.861 -9.711 -6.005 1.00 53.34 H new ATOM 0 HA ARG A 82 -4.633 -12.576 -6.117 1.00 51.45 H new ATOM 0 HB2 ARG A 82 -6.234 -10.205 -5.058 1.00 3.33 H new ATOM 0 HB3 ARG A 82 -6.718 -11.889 -5.013 1.00 3.33 H new ATOM 0 HG2 ARG A 82 -4.340 -10.710 -3.518 1.00 12.55 H new ATOM 0 HG3 ARG A 82 -5.903 -11.067 -2.811 1.00 12.55 H new ATOM 0 HD2 ARG A 82 -4.065 -13.127 -4.101 1.00 11.55 H new ATOM 0 HD3 ARG A 82 -4.199 -12.847 -2.377 1.00 11.55 H new ATOM 0 HE ARG A 82 -6.818 -13.358 -3.369 1.00 34.31 H new ATOM 0 HH11 ARG A 82 -3.753 -14.997 -2.949 1.00 13.34 H new ATOM 0 HH12 ARG A 82 -4.517 -16.579 -2.761 1.00 13.34 H new ATOM 0 HH21 ARG A 82 -7.742 -15.355 -3.099 1.00 22.11 H new ATOM 0 HH22 ARG A 82 -6.724 -16.776 -2.844 1.00 22.11 H new ATOM 1285 N GLN A 83 -6.181 -12.299 -8.075 1.00 4.13 N ATOM 1286 CA GLN A 83 -6.943 -12.162 -9.320 1.00 74.53 C ATOM 1287 C GLN A 83 -8.370 -11.683 -9.022 1.00 70.11 C ATOM 1288 O GLN A 83 -9.062 -12.255 -8.179 1.00 22.41 O ATOM 1289 CB GLN A 83 -6.990 -13.504 -10.068 1.00 64.55 C ATOM 1290 CG GLN A 83 -7.620 -13.427 -11.458 1.00 3.14 C ATOM 1291 CD GLN A 83 -7.798 -14.796 -12.103 1.00 0.54 C ATOM 1292 OE1 GLN A 83 -7.060 -15.733 -11.821 1.00 53.41 O ATOM 1293 NE2 GLN A 83 -8.771 -14.921 -12.985 1.00 65.43 N ATOM 0 H GLN A 83 -6.104 -13.257 -7.733 1.00 4.13 H new ATOM 0 HA GLN A 83 -6.445 -11.423 -9.948 1.00 74.53 H new ATOM 0 HB2 GLN A 83 -5.975 -13.890 -10.163 1.00 64.55 H new ATOM 0 HB3 GLN A 83 -7.549 -14.222 -9.468 1.00 64.55 H new ATOM 0 HG2 GLN A 83 -8.590 -12.936 -11.385 1.00 3.14 H new ATOM 0 HG3 GLN A 83 -6.996 -12.806 -12.101 1.00 3.14 H new ATOM 0 HE21 GLN A 83 -9.370 -14.124 -13.200 1.00 65.43 H new ATOM 0 HE22 GLN A 83 -8.924 -15.815 -13.452 1.00 65.43 H new ATOM 1302 N VAL A 84 -8.807 -10.635 -9.712 1.00 53.41 N ATOM 1303 CA VAL A 84 -10.134 -10.058 -9.474 1.00 11.00 C ATOM 1304 C VAL A 84 -11.206 -10.729 -10.356 1.00 33.41 C ATOM 1305 O VAL A 84 -11.135 -10.665 -11.586 1.00 11.22 O ATOM 1306 CB VAL A 84 -10.136 -8.531 -9.738 1.00 34.22 C ATOM 1307 CG1 VAL A 84 -11.504 -7.924 -9.420 1.00 54.02 C ATOM 1308 CG2 VAL A 84 -9.037 -7.843 -8.929 1.00 3.42 C ATOM 0 H VAL A 84 -8.267 -10.166 -10.439 1.00 53.41 H new ATOM 0 HA VAL A 84 -10.375 -10.239 -8.427 1.00 11.00 H new ATOM 0 HB VAL A 84 -9.933 -8.369 -10.797 1.00 34.22 H new ATOM 0 HG11 VAL A 84 -11.480 -6.852 -9.613 1.00 54.02 H new ATOM 0 HG12 VAL A 84 -12.263 -8.389 -10.049 1.00 54.02 H new ATOM 0 HG13 VAL A 84 -11.745 -8.098 -8.371 1.00 54.02 H new ATOM 0 HG21 VAL A 84 -9.055 -6.772 -9.128 1.00 3.42 H new ATOM 0 HG22 VAL A 84 -9.204 -8.017 -7.866 1.00 3.42 H new ATOM 0 HG23 VAL A 84 -8.067 -8.249 -9.215 1.00 3.42 H new ATOM 1318 N PRO A 85 -12.221 -11.376 -9.737 1.00 22.42 N ATOM 1319 CA PRO A 85 -13.294 -12.070 -10.477 1.00 33.14 C ATOM 1320 C PRO A 85 -14.059 -11.128 -11.424 1.00 63.31 C ATOM 1321 O PRO A 85 -14.606 -10.108 -10.998 1.00 22.43 O ATOM 1322 CB PRO A 85 -14.218 -12.609 -9.365 1.00 71.23 C ATOM 1323 CG PRO A 85 -13.870 -11.814 -8.148 1.00 63.45 C ATOM 1324 CD PRO A 85 -12.409 -11.481 -8.278 1.00 65.21 C ATOM 0 HA PRO A 85 -12.900 -12.853 -11.125 1.00 33.14 H new ATOM 0 HB2 PRO A 85 -15.268 -12.484 -9.630 1.00 71.23 H new ATOM 0 HB3 PRO A 85 -14.056 -13.674 -9.200 1.00 71.23 H new ATOM 0 HG2 PRO A 85 -14.473 -10.908 -8.087 1.00 63.45 H new ATOM 0 HG3 PRO A 85 -14.061 -12.386 -7.240 1.00 63.45 H new ATOM 0 HD2 PRO A 85 -12.161 -10.548 -7.771 1.00 65.21 H new ATOM 0 HD3 PRO A 85 -11.778 -12.257 -7.845 1.00 65.21 H new ATOM 1332 N GLY A 86 -14.083 -11.472 -12.710 1.00 1.20 N ATOM 1333 CA GLY A 86 -14.720 -10.623 -13.710 1.00 51.33 C ATOM 1334 C GLY A 86 -13.732 -9.714 -14.437 1.00 11.20 C ATOM 1335 O GLY A 86 -14.039 -9.178 -15.501 1.00 1.01 O ATOM 0 H GLY A 86 -13.671 -12.328 -13.081 1.00 1.20 H new ATOM 0 HA2 GLY A 86 -15.232 -11.251 -14.439 1.00 51.33 H new ATOM 0 HA3 GLY A 86 -15.481 -10.010 -13.227 1.00 51.33 H new ATOM 1339 N SER A 87 -12.542 -9.545 -13.864 1.00 71.21 N ATOM 1340 CA SER A 87 -11.501 -8.681 -14.447 1.00 11.10 C ATOM 1341 C SER A 87 -10.396 -9.505 -15.120 1.00 51.43 C ATOM 1342 O SER A 87 -10.161 -10.660 -14.764 1.00 34.55 O ATOM 1343 CB SER A 87 -10.887 -7.783 -13.360 1.00 42.43 C ATOM 1344 OG SER A 87 -11.870 -6.949 -12.760 1.00 65.32 O ATOM 0 H SER A 87 -12.268 -9.995 -12.991 1.00 71.21 H new ATOM 0 HA SER A 87 -11.975 -8.062 -15.209 1.00 11.10 H new ATOM 0 HB2 SER A 87 -10.418 -8.403 -12.596 1.00 42.43 H new ATOM 0 HB3 SER A 87 -10.101 -7.166 -13.796 1.00 42.43 H new ATOM 0 HG SER A 87 -11.450 -6.391 -12.072 1.00 65.32 H new ATOM 1350 N THR A 88 -9.716 -8.902 -16.096 1.00 72.21 N ATOM 1351 CA THR A 88 -8.600 -9.564 -16.792 1.00 13.22 C ATOM 1352 C THR A 88 -7.259 -9.293 -16.094 1.00 61.52 C ATOM 1353 O THR A 88 -6.265 -9.974 -16.351 1.00 11.34 O ATOM 1354 CB THR A 88 -8.487 -9.110 -18.272 1.00 65.53 C ATOM 1355 OG1 THR A 88 -7.384 -9.774 -18.919 1.00 12.41 O ATOM 1356 CG2 THR A 88 -8.302 -7.598 -18.374 1.00 11.10 C ATOM 0 H THR A 88 -9.914 -7.957 -16.426 1.00 72.21 H new ATOM 0 HA THR A 88 -8.818 -10.631 -16.761 1.00 13.22 H new ATOM 0 HB THR A 88 -9.417 -9.381 -18.772 1.00 65.53 H new ATOM 0 HG1 THR A 88 -6.750 -10.091 -18.242 1.00 12.41 H new ATOM 0 HG21 THR A 88 -8.226 -7.311 -19.423 1.00 11.10 H new ATOM 0 HG22 THR A 88 -9.157 -7.095 -17.921 1.00 11.10 H new ATOM 0 HG23 THR A 88 -7.391 -7.307 -17.851 1.00 11.10 H new ATOM 1364 N GLN A 89 -7.234 -8.284 -15.225 1.00 62.34 N ATOM 1365 CA GLN A 89 -6.020 -7.922 -14.480 1.00 50.12 C ATOM 1366 C GLN A 89 -6.044 -8.469 -13.043 1.00 4.40 C ATOM 1367 O GLN A 89 -7.107 -8.775 -12.491 1.00 3.41 O ATOM 1368 CB GLN A 89 -5.862 -6.391 -14.434 1.00 1.35 C ATOM 1369 CG GLN A 89 -6.975 -5.673 -13.672 1.00 2.22 C ATOM 1370 CD GLN A 89 -6.688 -4.195 -13.458 1.00 74.11 C ATOM 1371 OE1 GLN A 89 -6.090 -3.803 -12.460 1.00 23.40 O ATOM 1372 NE2 GLN A 89 -7.105 -3.363 -14.389 1.00 54.01 N ATOM 0 H GLN A 89 -8.042 -7.698 -15.016 1.00 62.34 H new ATOM 0 HA GLN A 89 -5.175 -8.370 -15.003 1.00 50.12 H new ATOM 0 HB2 GLN A 89 -4.905 -6.149 -13.972 1.00 1.35 H new ATOM 0 HB3 GLN A 89 -5.829 -6.009 -15.454 1.00 1.35 H new ATOM 0 HG2 GLN A 89 -7.911 -5.780 -14.220 1.00 2.22 H new ATOM 0 HG3 GLN A 89 -7.115 -6.155 -12.704 1.00 2.22 H new ATOM 0 HE21 GLN A 89 -7.599 -3.719 -15.207 1.00 54.01 H new ATOM 0 HE22 GLN A 89 -6.934 -2.362 -14.292 1.00 54.01 H new ATOM 1381 N LYS A 90 -4.864 -8.586 -12.440 1.00 63.13 N ATOM 1382 CA LYS A 90 -4.751 -8.943 -11.023 1.00 72.41 C ATOM 1383 C LYS A 90 -4.379 -7.705 -10.192 1.00 22.42 C ATOM 1384 O LYS A 90 -3.627 -6.840 -10.649 1.00 2.13 O ATOM 1385 CB LYS A 90 -3.716 -10.062 -10.824 1.00 44.42 C ATOM 1386 CG LYS A 90 -2.312 -9.698 -11.305 1.00 31.32 C ATOM 1387 CD LYS A 90 -1.301 -10.813 -11.045 1.00 61.45 C ATOM 1388 CE LYS A 90 -1.708 -12.122 -11.711 1.00 70.23 C ATOM 1389 NZ LYS A 90 -0.655 -13.164 -11.587 1.00 75.34 N ATOM 0 H LYS A 90 -3.970 -8.439 -12.908 1.00 63.13 H new ATOM 0 HA LYS A 90 -5.717 -9.313 -10.681 1.00 72.41 H new ATOM 0 HB2 LYS A 90 -3.672 -10.319 -9.766 1.00 44.42 H new ATOM 0 HB3 LYS A 90 -4.052 -10.953 -11.355 1.00 44.42 H new ATOM 0 HG2 LYS A 90 -2.342 -9.480 -12.372 1.00 31.32 H new ATOM 0 HG3 LYS A 90 -1.983 -8.788 -10.803 1.00 31.32 H new ATOM 0 HD2 LYS A 90 -0.322 -10.508 -11.415 1.00 61.45 H new ATOM 0 HD3 LYS A 90 -1.202 -10.969 -9.971 1.00 61.45 H new ATOM 0 HE2 LYS A 90 -2.632 -12.485 -11.261 1.00 70.23 H new ATOM 0 HE3 LYS A 90 -1.917 -11.942 -12.766 1.00 70.23 H new ATOM 0 HZ1 LYS A 90 -0.974 -14.037 -12.054 1.00 75.34 H new ATOM 0 HZ2 LYS A 90 0.220 -12.829 -12.039 1.00 75.34 H new ATOM 0 HZ3 LYS A 90 -0.473 -13.356 -10.581 1.00 75.34 H new ATOM 1403 N ALA A 91 -4.916 -7.613 -8.981 1.00 70.25 N ATOM 1404 CA ALA A 91 -4.690 -6.444 -8.123 1.00 10.43 C ATOM 1405 C ALA A 91 -3.797 -6.782 -6.921 1.00 1.42 C ATOM 1406 O ALA A 91 -3.918 -7.852 -6.320 1.00 2.23 O ATOM 1407 CB ALA A 91 -6.027 -5.876 -7.654 1.00 11.14 C ATOM 0 H ALA A 91 -5.511 -8.330 -8.567 1.00 70.25 H new ATOM 0 HA ALA A 91 -4.167 -5.692 -8.713 1.00 10.43 H new ATOM 0 HB1 ALA A 91 -5.851 -5.009 -7.018 1.00 11.14 H new ATOM 0 HB2 ALA A 91 -6.619 -5.577 -8.519 1.00 11.14 H new ATOM 0 HB3 ALA A 91 -6.567 -6.636 -7.090 1.00 11.14 H new ATOM 1413 N LEU A 92 -2.895 -5.864 -6.581 1.00 11.43 N ATOM 1414 CA LEU A 92 -2.013 -6.038 -5.424 1.00 54.01 C ATOM 1415 C LEU A 92 -2.700 -5.579 -4.131 1.00 71.04 C ATOM 1416 O LEU A 92 -2.918 -4.383 -3.919 1.00 72.31 O ATOM 1417 CB LEU A 92 -0.700 -5.258 -5.629 1.00 52.34 C ATOM 1418 CG LEU A 92 0.312 -5.352 -4.470 1.00 24.12 C ATOM 1419 CD1 LEU A 92 0.887 -6.757 -4.362 1.00 50.11 C ATOM 1420 CD2 LEU A 92 1.431 -4.325 -4.643 1.00 11.03 C ATOM 0 H LEU A 92 -2.754 -4.991 -7.089 1.00 11.43 H new ATOM 0 HA LEU A 92 -1.786 -7.100 -5.332 1.00 54.01 H new ATOM 0 HB2 LEU A 92 -0.220 -5.620 -6.538 1.00 52.34 H new ATOM 0 HB3 LEU A 92 -0.943 -4.208 -5.793 1.00 52.34 H new ATOM 0 HG LEU A 92 -0.217 -5.130 -3.543 1.00 24.12 H new ATOM 0 HD11 LEU A 92 1.598 -6.797 -3.537 1.00 50.11 H new ATOM 0 HD12 LEU A 92 0.080 -7.467 -4.180 1.00 50.11 H new ATOM 0 HD13 LEU A 92 1.395 -7.015 -5.291 1.00 50.11 H new ATOM 0 HD21 LEU A 92 2.134 -4.409 -3.814 1.00 11.03 H new ATOM 0 HD22 LEU A 92 1.953 -4.511 -5.582 1.00 11.03 H new ATOM 0 HD23 LEU A 92 1.005 -3.322 -4.657 1.00 11.03 H new ATOM 1432 N TYR A 93 -3.051 -6.536 -3.277 1.00 22.23 N ATOM 1433 CA TYR A 93 -3.671 -6.229 -1.986 1.00 60.33 C ATOM 1434 C TYR A 93 -2.627 -6.240 -0.862 1.00 73.24 C ATOM 1435 O TYR A 93 -1.679 -7.031 -0.883 1.00 52.02 O ATOM 1436 CB TYR A 93 -4.802 -7.220 -1.681 1.00 52.22 C ATOM 1437 CG TYR A 93 -5.992 -7.090 -2.614 1.00 31.22 C ATOM 1438 CD1 TYR A 93 -5.977 -7.664 -3.878 1.00 12.14 C ATOM 1439 CD2 TYR A 93 -7.124 -6.377 -2.232 1.00 44.10 C ATOM 1440 CE1 TYR A 93 -7.053 -7.534 -4.734 1.00 24.55 C ATOM 1441 CE2 TYR A 93 -8.207 -6.245 -3.082 1.00 54.42 C ATOM 1442 CZ TYR A 93 -8.164 -6.824 -4.333 1.00 51.44 C ATOM 1443 OH TYR A 93 -9.237 -6.693 -5.188 1.00 41.00 O ATOM 0 H TYR A 93 -2.918 -7.532 -3.453 1.00 22.23 H new ATOM 0 HA TYR A 93 -4.097 -5.227 -2.044 1.00 60.33 H new ATOM 0 HB2 TYR A 93 -4.411 -8.235 -1.744 1.00 52.22 H new ATOM 0 HB3 TYR A 93 -5.138 -7.071 -0.655 1.00 52.22 H new ATOM 0 HD1 TYR A 93 -5.109 -8.222 -4.197 1.00 12.14 H new ATOM 0 HD2 TYR A 93 -7.158 -5.919 -1.255 1.00 44.10 H new ATOM 0 HE1 TYR A 93 -7.024 -7.987 -5.714 1.00 24.55 H new ATOM 0 HE2 TYR A 93 -9.080 -5.692 -2.768 1.00 54.42 H new ATOM 0 HH TYR A 93 -9.939 -6.165 -4.753 1.00 41.00 H new ATOM 1453 N LEU A 94 -2.810 -5.360 0.119 1.00 44.04 N ATOM 1454 CA LEU A 94 -1.824 -5.166 1.188 1.00 51.31 C ATOM 1455 C LEU A 94 -2.438 -5.385 2.582 1.00 41.42 C ATOM 1456 O LEU A 94 -3.614 -5.095 2.808 1.00 74.43 O ATOM 1457 CB LEU A 94 -1.258 -3.740 1.104 1.00 3.14 C ATOM 1458 CG LEU A 94 -0.769 -3.295 -0.287 1.00 70.14 C ATOM 1459 CD1 LEU A 94 -0.293 -1.848 -0.253 1.00 42.15 C ATOM 1460 CD2 LEU A 94 0.339 -4.214 -0.791 1.00 11.31 C ATOM 0 H LEU A 94 -3.635 -4.766 0.199 1.00 44.04 H new ATOM 0 HA LEU A 94 -1.032 -5.902 1.050 1.00 51.31 H new ATOM 0 HB2 LEU A 94 -2.027 -3.044 1.438 1.00 3.14 H new ATOM 0 HB3 LEU A 94 -0.427 -3.657 1.804 1.00 3.14 H new ATOM 0 HG LEU A 94 -1.608 -3.363 -0.979 1.00 70.14 H new ATOM 0 HD11 LEU A 94 0.048 -1.554 -1.246 1.00 42.15 H new ATOM 0 HD12 LEU A 94 -1.115 -1.202 0.055 1.00 42.15 H new ATOM 0 HD13 LEU A 94 0.529 -1.752 0.456 1.00 42.15 H new ATOM 0 HD21 LEU A 94 0.669 -3.881 -1.775 1.00 11.31 H new ATOM 0 HD22 LEU A 94 1.179 -4.185 -0.097 1.00 11.31 H new ATOM 0 HD23 LEU A 94 -0.038 -5.234 -0.861 1.00 11.31 H new ATOM 1472 N ARG A 95 -1.634 -5.901 3.509 1.00 61.40 N ATOM 1473 CA ARG A 95 -2.035 -6.017 4.918 1.00 1.41 C ATOM 1474 C ARG A 95 -0.829 -5.809 5.850 1.00 42.13 C ATOM 1475 O ARG A 95 0.315 -6.019 5.451 1.00 74.15 O ATOM 1476 CB ARG A 95 -2.718 -7.369 5.197 1.00 65.12 C ATOM 1477 CG ARG A 95 -1.916 -8.594 4.762 1.00 35.22 C ATOM 1478 CD ARG A 95 -2.636 -9.891 5.125 1.00 43.21 C ATOM 1479 NE ARG A 95 -1.985 -11.079 4.564 1.00 52.34 N ATOM 1480 CZ ARG A 95 -2.365 -12.307 4.812 1.00 14.23 C ATOM 1481 NH1 ARG A 95 -3.380 -12.538 5.583 1.00 31.31 N ATOM 1482 NH2 ARG A 95 -1.761 -13.301 4.244 1.00 43.42 N ATOM 0 H ARG A 95 -0.695 -6.248 3.313 1.00 61.40 H new ATOM 0 HA ARG A 95 -2.762 -5.231 5.122 1.00 1.41 H new ATOM 0 HB2 ARG A 95 -2.919 -7.445 6.266 1.00 65.12 H new ATOM 0 HB3 ARG A 95 -3.682 -7.385 4.689 1.00 65.12 H new ATOM 0 HG2 ARG A 95 -1.750 -8.558 3.685 1.00 35.22 H new ATOM 0 HG3 ARG A 95 -0.935 -8.576 5.237 1.00 35.22 H new ATOM 0 HD2 ARG A 95 -2.680 -9.985 6.210 1.00 43.21 H new ATOM 0 HD3 ARG A 95 -3.664 -9.843 4.767 1.00 43.21 H new ATOM 0 HE ARG A 95 -1.188 -10.940 3.943 1.00 52.34 H new ATOM 0 HH11 ARG A 95 -3.890 -11.760 6.002 1.00 31.31 H new ATOM 0 HH12 ARG A 95 -3.670 -13.498 5.771 1.00 31.31 H new ATOM 0 HH21 ARG A 95 -0.988 -13.128 3.602 1.00 43.42 H new ATOM 0 HH22 ARG A 95 -2.059 -14.257 4.439 1.00 43.42 H new ATOM 1496 N ALA A 96 -1.093 -5.389 7.085 1.00 54.50 N ATOM 1497 CA ALA A 96 -0.027 -5.013 8.027 1.00 41.54 C ATOM 1498 C ALA A 96 0.773 -6.218 8.554 1.00 33.14 C ATOM 1499 O ALA A 96 0.210 -7.264 8.888 1.00 43.53 O ATOM 1500 CB ALA A 96 -0.620 -4.233 9.196 1.00 63.21 C ATOM 0 H ALA A 96 -2.036 -5.298 7.463 1.00 54.50 H new ATOM 0 HA ALA A 96 0.675 -4.390 7.473 1.00 41.54 H new ATOM 0 HB1 ALA A 96 0.174 -3.958 9.890 1.00 63.21 H new ATOM 0 HB2 ALA A 96 -1.105 -3.331 8.823 1.00 63.21 H new ATOM 0 HB3 ALA A 96 -1.354 -4.852 9.712 1.00 63.21 H new ATOM 1506 N LYS A 97 2.096 -6.055 8.629 1.00 44.32 N ATOM 1507 CA LYS A 97 2.975 -7.064 9.233 1.00 30.11 C ATOM 1508 C LYS A 97 3.027 -6.906 10.762 1.00 73.00 C ATOM 1509 O LYS A 97 3.759 -6.070 11.292 1.00 21.51 O ATOM 1510 CB LYS A 97 4.392 -6.955 8.632 1.00 45.51 C ATOM 1511 CG LYS A 97 5.463 -7.783 9.350 1.00 62.44 C ATOM 1512 CD LYS A 97 5.198 -9.284 9.275 1.00 1.23 C ATOM 1513 CE LYS A 97 5.359 -9.830 7.863 1.00 22.40 C ATOM 1514 NZ LYS A 97 5.188 -11.306 7.826 1.00 13.14 N ATOM 0 H LYS A 97 2.585 -5.232 8.278 1.00 44.32 H new ATOM 0 HA LYS A 97 2.570 -8.051 9.011 1.00 30.11 H new ATOM 0 HB2 LYS A 97 4.353 -7.266 7.588 1.00 45.51 H new ATOM 0 HB3 LYS A 97 4.696 -5.908 8.642 1.00 45.51 H new ATOM 0 HG2 LYS A 97 6.437 -7.568 8.911 1.00 62.44 H new ATOM 0 HG3 LYS A 97 5.511 -7.479 10.396 1.00 62.44 H new ATOM 0 HD2 LYS A 97 5.883 -9.805 9.944 1.00 1.23 H new ATOM 0 HD3 LYS A 97 4.188 -9.490 9.629 1.00 1.23 H new ATOM 0 HE2 LYS A 97 4.627 -9.361 7.205 1.00 22.40 H new ATOM 0 HE3 LYS A 97 6.345 -9.567 7.481 1.00 22.40 H new ATOM 0 HZ1 LYS A 97 5.304 -11.645 6.850 1.00 13.14 H new ATOM 0 HZ2 LYS A 97 5.903 -11.754 8.435 1.00 13.14 H new ATOM 0 HZ3 LYS A 97 4.238 -11.554 8.168 1.00 13.14 H new