USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 GLN : amide:sc= 0.128 K(o=0.84,f=-0.21) USER MOD Set 1.2: A 48 TYR OH : rot 146:sc= 0.713 USER MOD Single : A 19 GLN : amide:sc= -0.0298 X(o=-0.03,f=-0.064) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -36:sc= 0.998 USER MOD Single : A 34 SER OG : rot 60:sc= 0.952 USER MOD Single : A 41 ASN : amide:sc= -0.786 K(o=-0.79,f=-11!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 47 ASN : amide:sc= -0.322 K(o=-0.32,f=-2.7!) USER MOD Single : A 50 ASN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc=-0.00331 (180deg=-0.0688) USER MOD Single : A 53 GLN : amide:sc= 0.926 K(o=0.93,f=-0.017) USER MOD Single : A 58 SER OG : rot 150:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0703) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.113 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 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -35:sc= 0.46 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+ -115:sc= 0.981 (180deg=-0.875!) USER MOD ----------------------------------------------------------------- ATOM 261 N GLN A 19 15.912 9.265 5.112 1.00 20.53 N ATOM 262 CA GLN A 19 14.641 9.591 5.776 1.00 35.50 C ATOM 263 C GLN A 19 14.139 8.388 6.591 1.00 72.51 C ATOM 264 O GLN A 19 14.466 7.236 6.285 1.00 61.11 O ATOM 265 CB GLN A 19 13.584 9.991 4.735 1.00 34.45 C ATOM 266 CG GLN A 19 13.857 11.317 4.035 1.00 0.34 C ATOM 267 CD GLN A 19 13.689 12.514 4.956 1.00 41.23 C ATOM 268 OE1 GLN A 19 14.632 12.949 5.613 1.00 44.44 O ATOM 269 NE2 GLN A 19 12.488 13.053 5.015 1.00 4.35 N ATOM 0 HA GLN A 19 14.810 10.430 6.451 1.00 35.50 H new ATOM 0 HB2 GLN A 19 13.517 9.205 3.983 1.00 34.45 H new ATOM 0 HB3 GLN A 19 12.612 10.047 5.225 1.00 34.45 H new ATOM 0 HG2 GLN A 19 14.872 11.310 3.637 1.00 0.34 H new ATOM 0 HG3 GLN A 19 13.182 11.420 3.186 1.00 0.34 H new ATOM 0 HE21 GLN A 19 11.728 12.666 4.456 1.00 4.35 H new ATOM 0 HE22 GLN A 19 12.319 13.857 5.620 1.00 4.35 H new ATOM 278 N ALA A 20 13.357 8.653 7.632 1.00 13.20 N ATOM 279 CA ALA A 20 12.816 7.586 8.486 1.00 41.12 C ATOM 280 C ALA A 20 11.357 7.259 8.129 1.00 72.22 C ATOM 281 O ALA A 20 10.484 8.128 8.194 1.00 52.13 O ATOM 282 CB ALA A 20 12.929 7.979 9.959 1.00 53.04 C ATOM 0 H ALA A 20 13.080 9.595 7.910 1.00 13.20 H new ATOM 0 HA ALA A 20 13.408 6.687 8.311 1.00 41.12 H new ATOM 0 HB1 ALA A 20 12.525 7.180 10.581 1.00 53.04 H new ATOM 0 HB2 ALA A 20 13.976 8.142 10.213 1.00 53.04 H new ATOM 0 HB3 ALA A 20 12.366 8.896 10.135 1.00 53.04 H new ATOM 288 N PHE A 21 11.097 6.000 7.769 1.00 21.24 N ATOM 289 CA PHE A 21 9.742 5.546 7.424 1.00 2.44 C ATOM 290 C PHE A 21 8.777 5.696 8.614 1.00 75.32 C ATOM 291 O PHE A 21 8.949 5.036 9.644 1.00 11.02 O ATOM 292 CB PHE A 21 9.770 4.069 6.998 1.00 11.22 C ATOM 293 CG PHE A 21 10.448 3.803 5.676 1.00 43.15 C ATOM 294 CD1 PHE A 21 9.850 4.191 4.485 1.00 21.45 C ATOM 295 CD2 PHE A 21 11.673 3.150 5.623 1.00 4.51 C ATOM 296 CE1 PHE A 21 10.459 3.932 3.273 1.00 41.23 C ATOM 297 CE2 PHE A 21 12.286 2.894 4.413 1.00 43.51 C ATOM 298 CZ PHE A 21 11.678 3.283 3.235 1.00 34.53 C ATOM 0 H PHE A 21 11.809 5.272 7.708 1.00 21.24 H new ATOM 0 HA PHE A 21 9.390 6.170 6.602 1.00 2.44 H new ATOM 0 HB2 PHE A 21 10.276 3.492 7.772 1.00 11.22 H new ATOM 0 HB3 PHE A 21 8.745 3.701 6.945 1.00 11.22 H new ATOM 0 HD1 PHE A 21 8.898 4.701 4.506 1.00 21.45 H new ATOM 0 HD2 PHE A 21 12.152 2.839 6.540 1.00 4.51 H new ATOM 0 HE1 PHE A 21 9.982 4.237 2.354 1.00 41.23 H new ATOM 0 HE2 PHE A 21 13.241 2.390 4.387 1.00 43.51 H new ATOM 0 HZ PHE A 21 12.154 3.080 2.287 1.00 34.53 H new ATOM 308 N PRO A 22 7.754 6.568 8.508 1.00 74.32 N ATOM 309 CA PRO A 22 6.713 6.660 9.529 1.00 55.40 C ATOM 310 C PRO A 22 5.585 5.641 9.282 1.00 64.13 C ATOM 311 O PRO A 22 4.668 5.885 8.498 1.00 15.01 O ATOM 312 CB PRO A 22 6.212 8.098 9.361 1.00 44.23 C ATOM 313 CG PRO A 22 6.393 8.397 7.903 1.00 24.15 C ATOM 314 CD PRO A 22 7.543 7.538 7.413 1.00 32.13 C ATOM 0 HA PRO A 22 7.073 6.438 10.534 1.00 55.40 H new ATOM 0 HB2 PRO A 22 5.167 8.190 9.657 1.00 44.23 H new ATOM 0 HB3 PRO A 22 6.781 8.791 9.981 1.00 44.23 H new ATOM 0 HG2 PRO A 22 5.482 8.174 7.348 1.00 24.15 H new ATOM 0 HG3 PRO A 22 6.609 9.454 7.750 1.00 24.15 H new ATOM 0 HD2 PRO A 22 7.297 7.037 6.477 1.00 32.13 H new ATOM 0 HD3 PRO A 22 8.437 8.134 7.230 1.00 32.13 H new ATOM 322 N ARG A 23 5.645 4.500 9.969 1.00 60.51 N ATOM 323 CA ARG A 23 4.678 3.417 9.737 1.00 41.01 C ATOM 324 C ARG A 23 3.351 3.665 10.471 1.00 11.54 C ATOM 325 O ARG A 23 2.313 3.138 10.078 1.00 71.43 O ATOM 326 CB ARG A 23 5.273 2.060 10.140 1.00 34.00 C ATOM 327 CG ARG A 23 5.568 1.913 11.629 1.00 24.54 C ATOM 328 CD ARG A 23 6.221 0.569 11.935 1.00 14.31 C ATOM 329 NE ARG A 23 6.427 0.363 13.364 1.00 34.31 N ATOM 330 CZ ARG A 23 7.376 -0.380 13.868 1.00 4.25 C ATOM 331 NH1 ARG A 23 8.245 -0.962 13.105 1.00 71.24 N ATOM 332 NH2 ARG A 23 7.447 -0.551 15.143 1.00 44.24 N ATOM 0 H ARG A 23 6.344 4.299 10.684 1.00 60.51 H new ATOM 0 HA ARG A 23 4.462 3.400 8.669 1.00 41.01 H new ATOM 0 HB2 ARG A 23 4.582 1.272 9.840 1.00 34.00 H new ATOM 0 HB3 ARG A 23 6.197 1.903 9.583 1.00 34.00 H new ATOM 0 HG2 ARG A 23 6.224 2.721 11.953 1.00 24.54 H new ATOM 0 HG3 ARG A 23 4.642 2.007 12.196 1.00 24.54 H new ATOM 0 HD2 ARG A 23 5.597 -0.233 11.541 1.00 14.31 H new ATOM 0 HD3 ARG A 23 7.180 0.508 11.420 1.00 14.31 H new ATOM 0 HE ARG A 23 5.790 0.828 14.011 1.00 34.31 H new ATOM 0 HH11 ARG A 23 8.195 -0.844 12.093 1.00 71.24 H new ATOM 0 HH12 ARG A 23 8.979 -1.539 13.516 1.00 71.24 H new ATOM 0 HH21 ARG A 23 6.763 -0.107 15.756 1.00 44.24 H new ATOM 0 HH22 ARG A 23 8.187 -1.131 15.539 1.00 44.24 H new ATOM 346 N LYS A 24 3.393 4.481 11.524 1.00 12.34 N ATOM 347 CA LYS A 24 2.188 4.817 12.302 1.00 14.25 C ATOM 348 C LYS A 24 1.040 5.303 11.395 1.00 51.15 C ATOM 349 O LYS A 24 -0.090 4.821 11.484 1.00 53.43 O ATOM 350 CB LYS A 24 2.515 5.901 13.338 1.00 0.25 C ATOM 351 CG LYS A 24 3.589 5.494 14.345 1.00 12.23 C ATOM 352 CD LYS A 24 3.910 6.623 15.326 1.00 41.40 C ATOM 353 CE LYS A 24 4.532 7.833 14.630 1.00 32.33 C ATOM 354 NZ LYS A 24 4.794 8.944 15.584 1.00 73.44 N ATOM 0 H LYS A 24 4.247 4.925 11.863 1.00 12.34 H new ATOM 0 HA LYS A 24 1.860 3.909 12.807 1.00 14.25 H new ATOM 0 HB2 LYS A 24 2.843 6.800 12.817 1.00 0.25 H new ATOM 0 HB3 LYS A 24 1.604 6.159 13.878 1.00 0.25 H new ATOM 0 HG2 LYS A 24 3.254 4.617 14.898 1.00 12.23 H new ATOM 0 HG3 LYS A 24 4.496 5.207 13.812 1.00 12.23 H new ATOM 0 HD2 LYS A 24 2.997 6.929 15.836 1.00 41.40 H new ATOM 0 HD3 LYS A 24 4.594 6.254 16.090 1.00 41.40 H new ATOM 0 HE2 LYS A 24 5.465 7.537 14.151 1.00 32.33 H new ATOM 0 HE3 LYS A 24 3.865 8.181 13.841 1.00 32.33 H new ATOM 0 HZ1 LYS A 24 5.216 9.747 15.075 1.00 73.44 H new ATOM 0 HZ2 LYS A 24 3.900 9.243 16.022 1.00 73.44 H new ATOM 0 HZ3 LYS A 24 5.450 8.620 16.323 1.00 73.44 H new ATOM 368 N PHE A 25 1.346 6.260 10.521 1.00 73.22 N ATOM 369 CA PHE A 25 0.343 6.843 9.621 1.00 10.02 C ATOM 370 C PHE A 25 0.047 5.930 8.420 1.00 11.22 C ATOM 371 O PHE A 25 -1.106 5.786 8.011 1.00 30.21 O ATOM 372 CB PHE A 25 0.820 8.219 9.135 1.00 22.31 C ATOM 373 CG PHE A 25 0.998 9.223 10.248 1.00 54.10 C ATOM 374 CD1 PHE A 25 2.157 9.237 11.016 1.00 72.34 C ATOM 375 CD2 PHE A 25 0.006 10.151 10.529 1.00 41.43 C ATOM 376 CE1 PHE A 25 2.319 10.156 12.037 1.00 42.35 C ATOM 377 CE2 PHE A 25 0.164 11.071 11.548 1.00 35.35 C ATOM 378 CZ PHE A 25 1.322 11.073 12.304 1.00 12.34 C ATOM 0 H PHE A 25 2.282 6.651 10.414 1.00 73.22 H new ATOM 0 HA PHE A 25 -0.585 6.953 10.182 1.00 10.02 H new ATOM 0 HB2 PHE A 25 1.767 8.101 8.608 1.00 22.31 H new ATOM 0 HB3 PHE A 25 0.101 8.610 8.415 1.00 22.31 H new ATOM 0 HD1 PHE A 25 2.940 8.522 10.813 1.00 72.34 H new ATOM 0 HD2 PHE A 25 -0.902 10.155 9.944 1.00 41.43 H new ATOM 0 HE1 PHE A 25 3.225 10.156 12.625 1.00 42.35 H new ATOM 0 HE2 PHE A 25 -0.617 11.788 11.754 1.00 35.35 H new ATOM 0 HZ PHE A 25 1.446 11.790 13.102 1.00 12.34 H new ATOM 388 N VAL A 26 1.088 5.310 7.861 1.00 24.02 N ATOM 389 CA VAL A 26 0.927 4.431 6.695 1.00 32.33 C ATOM 390 C VAL A 26 0.004 3.238 7.007 1.00 34.42 C ATOM 391 O VAL A 26 -0.961 2.979 6.286 1.00 72.44 O ATOM 392 CB VAL A 26 2.293 3.901 6.189 1.00 62.55 C ATOM 393 CG1 VAL A 26 2.104 2.999 4.972 1.00 73.04 C ATOM 394 CG2 VAL A 26 3.241 5.053 5.859 1.00 30.15 C ATOM 0 H VAL A 26 2.048 5.398 8.193 1.00 24.02 H new ATOM 0 HA VAL A 26 0.470 5.036 5.912 1.00 32.33 H new ATOM 0 HB VAL A 26 2.741 3.312 6.989 1.00 62.55 H new ATOM 0 HG11 VAL A 26 3.075 2.638 4.633 1.00 73.04 H new ATOM 0 HG12 VAL A 26 1.475 2.151 5.242 1.00 73.04 H new ATOM 0 HG13 VAL A 26 1.627 3.564 4.171 1.00 73.04 H new ATOM 0 HG21 VAL A 26 4.191 4.652 5.507 1.00 30.15 H new ATOM 0 HG22 VAL A 26 2.799 5.676 5.082 1.00 30.15 H new ATOM 0 HG23 VAL A 26 3.409 5.653 6.753 1.00 30.15 H new ATOM 404 N LEU A 27 0.301 2.526 8.094 1.00 4.33 N ATOM 405 CA LEU A 27 -0.522 1.386 8.521 1.00 1.44 C ATOM 406 C LEU A 27 -1.952 1.832 8.869 1.00 11.15 C ATOM 407 O LEU A 27 -2.918 1.109 8.618 1.00 4.33 O ATOM 408 CB LEU A 27 0.123 0.680 9.723 1.00 44.04 C ATOM 409 CG LEU A 27 1.538 0.119 9.477 1.00 51.23 C ATOM 410 CD1 LEU A 27 2.080 -0.556 10.735 1.00 13.54 C ATOM 411 CD2 LEU A 27 1.543 -0.853 8.296 1.00 44.22 C ATOM 0 H LEU A 27 1.102 2.715 8.696 1.00 4.33 H new ATOM 0 HA LEU A 27 -0.580 0.684 7.689 1.00 1.44 H new ATOM 0 HB2 LEU A 27 0.168 1.383 10.555 1.00 44.04 H new ATOM 0 HB3 LEU A 27 -0.526 -0.139 10.033 1.00 44.04 H new ATOM 0 HG LEU A 27 2.193 0.954 9.230 1.00 51.23 H new ATOM 0 HD11 LEU A 27 3.079 -0.944 10.538 1.00 13.54 H new ATOM 0 HD12 LEU A 27 2.126 0.170 11.546 1.00 13.54 H new ATOM 0 HD13 LEU A 27 1.422 -1.377 11.020 1.00 13.54 H new ATOM 0 HD21 LEU A 27 2.553 -1.235 8.143 1.00 44.22 H new ATOM 0 HD22 LEU A 27 0.869 -1.684 8.506 1.00 44.22 H new ATOM 0 HD23 LEU A 27 1.211 -0.334 7.397 1.00 44.22 H new ATOM 423 N ALA A 28 -2.074 3.034 9.435 1.00 41.14 N ATOM 424 CA ALA A 28 -3.385 3.621 9.743 1.00 63.53 C ATOM 425 C ALA A 28 -4.200 3.869 8.463 1.00 10.31 C ATOM 426 O ALA A 28 -5.401 3.600 8.412 1.00 53.05 O ATOM 427 CB ALA A 28 -3.214 4.923 10.521 1.00 52.15 C ATOM 0 H ALA A 28 -1.281 3.623 9.691 1.00 41.14 H new ATOM 0 HA ALA A 28 -3.934 2.909 10.359 1.00 63.53 H new ATOM 0 HB1 ALA A 28 -4.194 5.346 10.742 1.00 52.15 H new ATOM 0 HB2 ALA A 28 -2.686 4.723 11.454 1.00 52.15 H new ATOM 0 HB3 ALA A 28 -2.639 5.631 9.924 1.00 52.15 H new ATOM 433 N ALA A 29 -3.542 4.392 7.430 1.00 24.20 N ATOM 434 CA ALA A 29 -4.184 4.596 6.126 1.00 52.04 C ATOM 435 C ALA A 29 -4.604 3.256 5.508 1.00 3.34 C ATOM 436 O ALA A 29 -5.673 3.140 4.901 1.00 33.10 O ATOM 437 CB ALA A 29 -3.243 5.341 5.186 1.00 4.11 C ATOM 0 H ALA A 29 -2.565 4.683 7.467 1.00 24.20 H new ATOM 0 HA ALA A 29 -5.081 5.197 6.276 1.00 52.04 H new ATOM 0 HB1 ALA A 29 -3.731 5.486 4.222 1.00 4.11 H new ATOM 0 HB2 ALA A 29 -2.993 6.311 5.615 1.00 4.11 H new ATOM 0 HB3 ALA A 29 -2.332 4.759 5.047 1.00 4.11 H new ATOM 443 N LEU A 30 -3.750 2.249 5.682 1.00 12.45 N ATOM 444 CA LEU A 30 -4.004 0.899 5.178 1.00 41.41 C ATOM 445 C LEU A 30 -5.277 0.297 5.799 1.00 10.20 C ATOM 446 O LEU A 30 -6.221 -0.054 5.086 1.00 54.33 O ATOM 447 CB LEU A 30 -2.786 0.006 5.476 1.00 55.35 C ATOM 448 CG LEU A 30 -2.831 -1.413 4.887 1.00 31.41 C ATOM 449 CD1 LEU A 30 -2.909 -1.371 3.363 1.00 14.23 C ATOM 450 CD2 LEU A 30 -1.614 -2.213 5.338 1.00 15.20 C ATOM 0 H LEU A 30 -2.863 2.345 6.176 1.00 12.45 H new ATOM 0 HA LEU A 30 -4.161 0.955 4.101 1.00 41.41 H new ATOM 0 HB2 LEU A 30 -1.893 0.506 5.100 1.00 55.35 H new ATOM 0 HB3 LEU A 30 -2.675 -0.074 6.557 1.00 55.35 H new ATOM 0 HG LEU A 30 -3.730 -1.906 5.257 1.00 31.41 H new ATOM 0 HD11 LEU A 30 -2.940 -2.388 2.972 1.00 14.23 H new ATOM 0 HD12 LEU A 30 -3.810 -0.838 3.059 1.00 14.23 H new ATOM 0 HD13 LEU A 30 -2.033 -0.857 2.968 1.00 14.23 H new ATOM 0 HD21 LEU A 30 -1.660 -3.216 4.913 1.00 15.20 H new ATOM 0 HD22 LEU A 30 -0.705 -1.716 4.998 1.00 15.20 H new ATOM 0 HD23 LEU A 30 -1.605 -2.280 6.426 1.00 15.20 H new ATOM 462 N GLU A 31 -5.308 0.204 7.132 1.00 2.51 N ATOM 463 CA GLU A 31 -6.441 -0.403 7.844 1.00 64.31 C ATOM 464 C GLU A 31 -7.767 0.331 7.560 1.00 52.50 C ATOM 465 O GLU A 31 -8.820 -0.299 7.436 1.00 72.32 O ATOM 466 CB GLU A 31 -6.175 -0.436 9.357 1.00 62.14 C ATOM 467 CG GLU A 31 -6.058 0.943 10.006 1.00 70.22 C ATOM 468 CD GLU A 31 -5.963 0.877 11.524 1.00 3.33 C ATOM 469 OE1 GLU A 31 -6.936 0.421 12.161 1.00 52.13 O ATOM 470 OE2 GLU A 31 -4.928 1.294 12.089 1.00 21.42 O ATOM 0 H GLU A 31 -4.562 0.541 7.741 1.00 2.51 H new ATOM 0 HA GLU A 31 -6.540 -1.423 7.473 1.00 64.31 H new ATOM 0 HB2 GLU A 31 -6.980 -0.986 9.844 1.00 62.14 H new ATOM 0 HB3 GLU A 31 -5.254 -0.990 9.540 1.00 62.14 H new ATOM 0 HG2 GLU A 31 -5.177 1.450 9.614 1.00 70.22 H new ATOM 0 HG3 GLU A 31 -6.923 1.545 9.727 1.00 70.22 H new ATOM 477 N GLN A 32 -7.708 1.659 7.446 1.00 12.10 N ATOM 478 CA GLN A 32 -8.904 2.468 7.162 1.00 41.22 C ATOM 479 C GLN A 32 -9.470 2.201 5.754 1.00 25.50 C ATOM 480 O GLN A 32 -10.603 2.579 5.450 1.00 2.23 O ATOM 481 CB GLN A 32 -8.588 3.964 7.332 1.00 11.33 C ATOM 482 CG GLN A 32 -8.353 4.382 8.785 1.00 61.12 C ATOM 483 CD GLN A 32 -8.029 5.861 8.930 1.00 23.54 C ATOM 484 OE1 GLN A 32 -8.912 6.696 9.104 1.00 63.03 O ATOM 485 NE2 GLN A 32 -6.759 6.195 8.856 1.00 12.43 N ATOM 0 H GLN A 32 -6.849 2.200 7.545 1.00 12.10 H new ATOM 0 HA GLN A 32 -9.670 2.175 7.880 1.00 41.22 H new ATOM 0 HB2 GLN A 32 -7.702 4.208 6.745 1.00 11.33 H new ATOM 0 HB3 GLN A 32 -9.412 4.549 6.924 1.00 11.33 H new ATOM 0 HG2 GLN A 32 -9.241 4.150 9.373 1.00 61.12 H new ATOM 0 HG3 GLN A 32 -7.534 3.793 9.199 1.00 61.12 H new ATOM 0 HE21 GLN A 32 -6.050 5.476 8.711 1.00 12.43 H new ATOM 0 HE22 GLN A 32 -6.483 7.173 8.944 1.00 12.43 H new ATOM 494 N SER A 33 -8.682 1.555 4.898 1.00 25.25 N ATOM 495 CA SER A 33 -9.131 1.201 3.541 1.00 65.44 C ATOM 496 C SER A 33 -9.135 -0.323 3.328 1.00 23.42 C ATOM 497 O SER A 33 -9.258 -0.803 2.199 1.00 22.30 O ATOM 498 CB SER A 33 -8.230 1.870 2.493 1.00 74.12 C ATOM 499 OG SER A 33 -8.653 1.556 1.173 1.00 64.01 O ATOM 0 H SER A 33 -7.729 1.263 5.114 1.00 25.25 H new ATOM 0 HA SER A 33 -10.153 1.562 3.425 1.00 65.44 H new ATOM 0 HB2 SER A 33 -8.244 2.951 2.634 1.00 74.12 H new ATOM 0 HB3 SER A 33 -7.200 1.544 2.634 1.00 74.12 H new ATOM 0 HG SER A 33 -8.988 0.635 1.147 1.00 64.01 H new ATOM 505 N SER A 34 -9.008 -1.084 4.417 1.00 14.33 N ATOM 506 CA SER A 34 -8.946 -2.555 4.337 1.00 0.24 C ATOM 507 C SER A 34 -10.319 -3.209 4.549 1.00 52.10 C ATOM 508 O SER A 34 -11.184 -2.661 5.233 1.00 53.15 O ATOM 509 CB SER A 34 -7.960 -3.113 5.378 1.00 41.11 C ATOM 510 OG SER A 34 -6.624 -2.747 5.080 1.00 44.14 O ATOM 0 H SER A 34 -8.946 -0.712 5.365 1.00 14.33 H new ATOM 0 HA SER A 34 -8.604 -2.797 3.331 1.00 0.24 H new ATOM 0 HB2 SER A 34 -8.227 -2.743 6.368 1.00 41.11 H new ATOM 0 HB3 SER A 34 -8.041 -4.199 5.411 1.00 41.11 H new ATOM 0 HG SER A 34 -6.545 -1.770 5.079 1.00 44.14 H new ATOM 516 N ASP A 35 -10.505 -4.388 3.955 1.00 11.43 N ATOM 517 CA ASP A 35 -11.704 -5.202 4.186 1.00 44.21 C ATOM 518 C ASP A 35 -11.798 -5.673 5.647 1.00 50.25 C ATOM 519 O ASP A 35 -10.875 -5.474 6.438 1.00 73.30 O ATOM 520 CB ASP A 35 -11.696 -6.423 3.256 1.00 21.24 C ATOM 521 CG ASP A 35 -11.836 -6.039 1.794 1.00 2.34 C ATOM 522 OD1 ASP A 35 -12.868 -5.431 1.438 1.00 40.54 O ATOM 523 OD2 ASP A 35 -10.928 -6.351 1.000 1.00 23.42 O ATOM 0 H ASP A 35 -9.838 -4.805 3.306 1.00 11.43 H new ATOM 0 HA ASP A 35 -12.572 -4.578 3.973 1.00 44.21 H new ATOM 0 HB2 ASP A 35 -10.768 -6.977 3.396 1.00 21.24 H new ATOM 0 HB3 ASP A 35 -12.511 -7.092 3.533 1.00 21.24 H new ATOM 528 N ASP A 36 -12.910 -6.318 5.988 1.00 23.22 N ATOM 529 CA ASP A 36 -13.128 -6.844 7.343 1.00 41.23 C ATOM 530 C ASP A 36 -11.995 -7.803 7.764 1.00 71.04 C ATOM 531 O ASP A 36 -11.586 -7.830 8.929 1.00 5.23 O ATOM 532 CB ASP A 36 -14.487 -7.554 7.394 1.00 73.34 C ATOM 533 CG ASP A 36 -14.870 -7.999 8.797 1.00 1.53 C ATOM 534 OD1 ASP A 36 -15.345 -7.153 9.585 1.00 64.32 O ATOM 535 OD2 ASP A 36 -14.720 -9.201 9.109 1.00 53.33 O ATOM 0 H ASP A 36 -13.682 -6.493 5.344 1.00 23.22 H new ATOM 0 HA ASP A 36 -13.124 -6.013 8.048 1.00 41.23 H new ATOM 0 HB2 ASP A 36 -15.256 -6.884 7.008 1.00 73.34 H new ATOM 0 HB3 ASP A 36 -14.462 -8.423 6.737 1.00 73.34 H new ATOM 540 N ALA A 37 -11.478 -8.572 6.801 1.00 40.11 N ATOM 541 CA ALA A 37 -10.373 -9.512 7.052 1.00 12.02 C ATOM 542 C ALA A 37 -8.999 -8.818 7.056 1.00 54.55 C ATOM 543 O ALA A 37 -7.981 -9.438 7.380 1.00 75.35 O ATOM 544 CB ALA A 37 -10.389 -10.623 6.008 1.00 64.52 C ATOM 0 H ALA A 37 -11.806 -8.564 5.835 1.00 40.11 H new ATOM 0 HA ALA A 37 -10.526 -9.932 8.046 1.00 12.02 H new ATOM 0 HB1 ALA A 37 -9.569 -11.315 6.200 1.00 64.52 H new ATOM 0 HB2 ALA A 37 -11.336 -11.160 6.062 1.00 64.52 H new ATOM 0 HB3 ALA A 37 -10.274 -10.190 5.014 1.00 64.52 H new ATOM 550 N GLY A 38 -8.969 -7.539 6.690 1.00 5.24 N ATOM 551 CA GLY A 38 -7.717 -6.787 6.669 1.00 13.14 C ATOM 552 C GLY A 38 -6.973 -6.862 5.333 1.00 62.31 C ATOM 553 O GLY A 38 -5.823 -7.289 5.281 1.00 74.10 O ATOM 0 H GLY A 38 -9.790 -7.005 6.406 1.00 5.24 H new ATOM 0 HA2 GLY A 38 -7.928 -5.742 6.899 1.00 13.14 H new ATOM 0 HA3 GLY A 38 -7.066 -7.162 7.458 1.00 13.14 H new ATOM 557 N TRP A 39 -7.635 -6.452 4.251 1.00 63.02 N ATOM 558 CA TRP A 39 -7.002 -6.381 2.921 1.00 61.12 C ATOM 559 C TRP A 39 -7.382 -5.083 2.194 1.00 51.43 C ATOM 560 O TRP A 39 -8.560 -4.801 1.990 1.00 73.44 O ATOM 561 CB TRP A 39 -7.398 -7.586 2.053 1.00 32.11 C ATOM 562 CG TRP A 39 -6.783 -8.880 2.491 1.00 21.11 C ATOM 563 CD1 TRP A 39 -7.351 -9.842 3.275 1.00 21.31 C ATOM 564 CD2 TRP A 39 -5.467 -9.350 2.168 1.00 61.12 C ATOM 565 NE1 TRP A 39 -6.471 -10.880 3.459 1.00 10.00 N ATOM 566 CE2 TRP A 39 -5.309 -10.603 2.787 1.00 72.02 C ATOM 567 CE3 TRP A 39 -4.411 -8.832 1.418 1.00 11.31 C ATOM 568 CZ2 TRP A 39 -4.135 -11.346 2.673 1.00 23.03 C ATOM 569 CZ3 TRP A 39 -3.249 -9.568 1.305 1.00 34.55 C ATOM 570 CH2 TRP A 39 -3.119 -10.811 1.929 1.00 33.40 C ATOM 0 H TRP A 39 -8.613 -6.162 4.263 1.00 63.02 H new ATOM 0 HA TRP A 39 -5.924 -6.396 3.078 1.00 61.12 H new ATOM 0 HB2 TRP A 39 -8.483 -7.689 2.065 1.00 32.11 H new ATOM 0 HB3 TRP A 39 -7.108 -7.388 1.021 1.00 32.11 H new ATOM 0 HD1 TRP A 39 -8.347 -9.794 3.690 1.00 21.31 H new ATOM 0 HE1 TRP A 39 -6.653 -11.721 4.007 1.00 10.00 H new ATOM 0 HE3 TRP A 39 -4.501 -7.871 0.934 1.00 11.31 H new ATOM 0 HZ2 TRP A 39 -4.031 -12.308 3.154 1.00 23.03 H new ATOM 0 HZ3 TRP A 39 -2.427 -9.176 0.725 1.00 34.55 H new ATOM 0 HH2 TRP A 39 -2.196 -11.362 1.822 1.00 33.40 H new ATOM 581 N ALA A 40 -6.385 -4.289 1.813 1.00 54.33 N ATOM 582 CA ALA A 40 -6.633 -3.033 1.095 1.00 32.14 C ATOM 583 C ALA A 40 -5.991 -3.039 -0.300 1.00 3.05 C ATOM 584 O ALA A 40 -4.804 -3.331 -0.446 1.00 1.11 O ATOM 585 CB ALA A 40 -6.118 -1.848 1.905 1.00 54.14 C ATOM 0 H ALA A 40 -5.400 -4.488 1.987 1.00 54.33 H new ATOM 0 HA ALA A 40 -7.711 -2.937 0.965 1.00 32.14 H new ATOM 0 HB1 ALA A 40 -6.309 -0.924 1.360 1.00 54.14 H new ATOM 0 HB2 ALA A 40 -6.630 -1.814 2.867 1.00 54.14 H new ATOM 0 HB3 ALA A 40 -5.046 -1.958 2.069 1.00 54.14 H new ATOM 591 N ASN A 41 -6.782 -2.717 -1.322 1.00 43.21 N ATOM 592 CA ASN A 41 -6.272 -2.609 -2.694 1.00 22.42 C ATOM 593 C ASN A 41 -5.248 -1.464 -2.807 1.00 12.51 C ATOM 594 O ASN A 41 -5.474 -0.368 -2.288 1.00 63.13 O ATOM 595 CB ASN A 41 -7.441 -2.384 -3.669 1.00 54.51 C ATOM 596 CG ASN A 41 -7.019 -2.349 -5.134 1.00 5.14 C ATOM 597 OD1 ASN A 41 -5.919 -1.926 -5.477 1.00 34.44 O ATOM 598 ND2 ASN A 41 -7.893 -2.789 -6.014 1.00 24.04 N ATOM 0 H ASN A 41 -7.780 -2.526 -1.229 1.00 43.21 H new ATOM 0 HA ASN A 41 -5.768 -3.540 -2.954 1.00 22.42 H new ATOM 0 HB2 ASN A 41 -8.176 -3.177 -3.531 1.00 54.51 H new ATOM 0 HB3 ASN A 41 -7.935 -1.445 -3.420 1.00 54.51 H new ATOM 0 HD21 ASN A 41 -7.663 -2.784 -7.008 1.00 24.04 H new ATOM 0 HD22 ASN A 41 -8.800 -3.135 -5.702 1.00 24.04 H new ATOM 605 N LEU A 42 -4.133 -1.731 -3.496 1.00 24.43 N ATOM 606 CA LEU A 42 -3.057 -0.746 -3.698 1.00 3.25 C ATOM 607 C LEU A 42 -3.594 0.631 -4.130 1.00 74.05 C ATOM 608 O LEU A 42 -3.114 1.668 -3.668 1.00 35.55 O ATOM 609 CB LEU A 42 -2.071 -1.273 -4.754 1.00 10.25 C ATOM 610 CG LEU A 42 -0.892 -0.342 -5.085 1.00 73.34 C ATOM 611 CD1 LEU A 42 0.014 -0.152 -3.868 1.00 12.22 C ATOM 612 CD2 LEU A 42 -0.104 -0.886 -6.273 1.00 63.13 C ATOM 0 H LEU A 42 -3.948 -2.635 -3.931 1.00 24.43 H new ATOM 0 HA LEU A 42 -2.552 -0.611 -2.742 1.00 3.25 H new ATOM 0 HB2 LEU A 42 -1.672 -2.227 -4.409 1.00 10.25 H new ATOM 0 HB3 LEU A 42 -2.623 -1.472 -5.673 1.00 10.25 H new ATOM 0 HG LEU A 42 -1.292 0.635 -5.356 1.00 73.34 H new ATOM 0 HD11 LEU A 42 0.840 0.510 -4.129 1.00 12.22 H new ATOM 0 HD12 LEU A 42 -0.560 0.288 -3.052 1.00 12.22 H new ATOM 0 HD13 LEU A 42 0.409 -1.118 -3.554 1.00 12.22 H new ATOM 0 HD21 LEU A 42 0.727 -0.217 -6.496 1.00 63.13 H new ATOM 0 HD22 LEU A 42 0.282 -1.876 -6.031 1.00 63.13 H new ATOM 0 HD23 LEU A 42 -0.758 -0.954 -7.143 1.00 63.13 H new ATOM 624 N GLY A 43 -4.593 0.630 -5.012 1.00 42.12 N ATOM 625 CA GLY A 43 -5.190 1.877 -5.481 1.00 21.40 C ATOM 626 C GLY A 43 -5.810 2.706 -4.360 1.00 12.31 C ATOM 627 O GLY A 43 -5.447 3.867 -4.158 1.00 64.20 O ATOM 0 H GLY A 43 -5.002 -0.214 -5.413 1.00 42.12 H new ATOM 0 HA2 GLY A 43 -4.427 2.471 -5.984 1.00 21.40 H new ATOM 0 HA3 GLY A 43 -5.956 1.649 -6.222 1.00 21.40 H new ATOM 631 N ASN A 44 -6.740 2.104 -3.619 1.00 53.23 N ATOM 632 CA ASN A 44 -7.413 2.793 -2.509 1.00 4.55 C ATOM 633 C ASN A 44 -6.422 3.149 -1.387 1.00 62.42 C ATOM 634 O ASN A 44 -6.500 4.226 -0.792 1.00 4.24 O ATOM 635 CB ASN A 44 -8.549 1.922 -1.954 1.00 3.13 C ATOM 636 CG ASN A 44 -9.613 1.623 -2.995 1.00 11.51 C ATOM 637 OD1 ASN A 44 -9.860 2.415 -3.899 1.00 23.53 O ATOM 638 ND2 ASN A 44 -10.256 0.482 -2.875 1.00 71.51 N ATOM 0 H ASN A 44 -7.047 1.142 -3.764 1.00 53.23 H new ATOM 0 HA ASN A 44 -7.831 3.722 -2.896 1.00 4.55 H new ATOM 0 HB2 ASN A 44 -8.135 0.985 -1.582 1.00 3.13 H new ATOM 0 HB3 ASN A 44 -9.008 2.427 -1.104 1.00 3.13 H new ATOM 0 HD21 ASN A 44 -10.984 0.234 -3.545 1.00 71.51 H new ATOM 0 HD22 ASN A 44 -10.027 -0.155 -2.112 1.00 71.51 H new ATOM 645 N PHE A 45 -5.488 2.238 -1.111 1.00 25.15 N ATOM 646 CA PHE A 45 -4.435 2.478 -0.119 1.00 50.43 C ATOM 647 C PHE A 45 -3.576 3.693 -0.503 1.00 11.35 C ATOM 648 O PHE A 45 -3.398 4.610 0.294 1.00 45.33 O ATOM 649 CB PHE A 45 -3.549 1.229 0.030 1.00 13.43 C ATOM 650 CG PHE A 45 -2.299 1.453 0.850 1.00 72.13 C ATOM 651 CD1 PHE A 45 -2.375 1.957 2.143 1.00 11.54 C ATOM 652 CD2 PHE A 45 -1.047 1.153 0.328 1.00 25.13 C ATOM 653 CE1 PHE A 45 -1.231 2.155 2.893 1.00 31.12 C ATOM 654 CE2 PHE A 45 0.098 1.353 1.075 1.00 32.25 C ATOM 655 CZ PHE A 45 0.005 1.853 2.357 1.00 45.11 C ATOM 0 H PHE A 45 -5.438 1.324 -1.561 1.00 25.15 H new ATOM 0 HA PHE A 45 -4.915 2.691 0.836 1.00 50.43 H new ATOM 0 HB2 PHE A 45 -4.135 0.434 0.491 1.00 13.43 H new ATOM 0 HB3 PHE A 45 -3.262 0.880 -0.962 1.00 13.43 H new ATOM 0 HD1 PHE A 45 -3.339 2.197 2.567 1.00 11.54 H new ATOM 0 HD2 PHE A 45 -0.968 0.759 -0.674 1.00 25.13 H new ATOM 0 HE1 PHE A 45 -1.304 2.546 3.897 1.00 31.12 H new ATOM 0 HE2 PHE A 45 1.065 1.118 0.655 1.00 32.25 H new ATOM 0 HZ PHE A 45 0.899 2.008 2.942 1.00 45.11 H new ATOM 665 N GLY A 46 -3.053 3.689 -1.726 1.00 63.34 N ATOM 666 CA GLY A 46 -2.241 4.802 -2.203 1.00 30.43 C ATOM 667 C GLY A 46 -2.974 6.139 -2.148 1.00 13.53 C ATOM 668 O GLY A 46 -2.395 7.161 -1.761 1.00 62.30 O ATOM 0 H GLY A 46 -3.176 2.933 -2.400 1.00 63.34 H new ATOM 0 HA2 GLY A 46 -1.333 4.866 -1.603 1.00 30.43 H new ATOM 0 HA3 GLY A 46 -1.931 4.605 -3.229 1.00 30.43 H new ATOM 672 N ASN A 47 -4.249 6.128 -2.533 1.00 21.24 N ATOM 673 CA ASN A 47 -5.089 7.327 -2.492 1.00 42.14 C ATOM 674 C ASN A 47 -5.240 7.846 -1.049 1.00 41.41 C ATOM 675 O ASN A 47 -4.908 9.000 -0.752 1.00 3.54 O ATOM 676 CB ASN A 47 -6.468 7.009 -3.092 1.00 3.30 C ATOM 677 CG ASN A 47 -7.329 8.245 -3.315 1.00 42.11 C ATOM 678 OD1 ASN A 47 -7.215 9.247 -2.614 1.00 0.32 O ATOM 679 ND2 ASN A 47 -8.208 8.180 -4.294 1.00 62.23 N ATOM 0 H ASN A 47 -4.727 5.296 -2.880 1.00 21.24 H new ATOM 0 HA ASN A 47 -4.610 8.109 -3.081 1.00 42.14 H new ATOM 0 HB2 ASN A 47 -6.332 6.493 -4.043 1.00 3.30 H new ATOM 0 HB3 ASN A 47 -6.995 6.323 -2.429 1.00 3.30 H new ATOM 0 HD21 ASN A 47 -8.817 8.975 -4.486 1.00 62.23 H new ATOM 0 HD22 ASN A 47 -8.280 7.334 -4.860 1.00 62.23 H new ATOM 686 N TYR A 48 -5.724 6.982 -0.154 1.00 74.40 N ATOM 687 CA TYR A 48 -5.985 7.375 1.236 1.00 22.43 C ATOM 688 C TYR A 48 -4.682 7.690 1.994 1.00 3.42 C ATOM 689 O TYR A 48 -4.666 8.525 2.901 1.00 42.53 O ATOM 690 CB TYR A 48 -6.771 6.276 1.974 1.00 75.22 C ATOM 691 CG TYR A 48 -7.432 6.771 3.247 1.00 24.42 C ATOM 692 CD1 TYR A 48 -8.617 7.496 3.188 1.00 42.14 C ATOM 693 CD2 TYR A 48 -6.869 6.539 4.497 1.00 31.14 C ATOM 694 CE1 TYR A 48 -9.222 7.969 4.334 1.00 12.40 C ATOM 695 CE2 TYR A 48 -7.467 7.015 5.647 1.00 11.41 C ATOM 696 CZ TYR A 48 -8.642 7.729 5.559 1.00 54.22 C ATOM 697 OH TYR A 48 -9.235 8.212 6.702 1.00 42.00 O ATOM 0 H TYR A 48 -5.943 6.008 -0.364 1.00 74.40 H new ATOM 0 HA TYR A 48 -6.586 8.284 1.207 1.00 22.43 H new ATOM 0 HB2 TYR A 48 -7.534 5.874 1.308 1.00 75.22 H new ATOM 0 HB3 TYR A 48 -6.096 5.456 2.217 1.00 75.22 H new ATOM 0 HD1 TYR A 48 -9.072 7.692 2.228 1.00 42.14 H new ATOM 0 HD2 TYR A 48 -5.949 5.978 4.570 1.00 31.14 H new ATOM 0 HE1 TYR A 48 -10.146 8.525 4.270 1.00 12.40 H new ATOM 0 HE2 TYR A 48 -7.016 6.829 6.610 1.00 11.41 H new ATOM 0 HH TYR A 48 -9.083 7.585 7.439 1.00 42.00 H new ATOM 707 N LEU A 49 -3.594 7.023 1.614 1.00 11.52 N ATOM 708 CA LEU A 49 -2.285 7.241 2.243 1.00 3.34 C ATOM 709 C LEU A 49 -1.829 8.700 2.109 1.00 53.24 C ATOM 710 O LEU A 49 -1.480 9.347 3.099 1.00 41.24 O ATOM 711 CB LEU A 49 -1.229 6.306 1.631 1.00 23.21 C ATOM 712 CG LEU A 49 0.205 6.492 2.160 1.00 45.41 C ATOM 713 CD1 LEU A 49 0.261 6.282 3.671 1.00 52.52 C ATOM 714 CD2 LEU A 49 1.167 5.545 1.450 1.00 33.25 C ATOM 0 H LEU A 49 -3.589 6.324 0.871 1.00 11.52 H new ATOM 0 HA LEU A 49 -2.393 7.015 3.304 1.00 3.34 H new ATOM 0 HB2 LEU A 49 -1.533 5.275 1.811 1.00 23.21 H new ATOM 0 HB3 LEU A 49 -1.221 6.452 0.551 1.00 23.21 H new ATOM 0 HG LEU A 49 0.512 7.516 1.949 1.00 45.41 H new ATOM 0 HD11 LEU A 49 1.285 6.419 4.020 1.00 52.52 H new ATOM 0 HD12 LEU A 49 -0.390 7.005 4.163 1.00 52.52 H new ATOM 0 HD13 LEU A 49 -0.072 5.272 3.911 1.00 52.52 H new ATOM 0 HD21 LEU A 49 2.175 5.692 1.838 1.00 33.25 H new ATOM 0 HD22 LEU A 49 0.858 4.514 1.624 1.00 33.25 H new ATOM 0 HD23 LEU A 49 1.157 5.751 0.380 1.00 33.25 H new ATOM 726 N ASN A 50 -1.854 9.220 0.884 1.00 52.44 N ATOM 727 CA ASN A 50 -1.396 10.591 0.623 1.00 10.12 C ATOM 728 C ASN A 50 -2.287 11.623 1.336 1.00 53.24 C ATOM 729 O ASN A 50 -1.862 12.746 1.599 1.00 63.43 O ATOM 730 CB ASN A 50 -1.354 10.862 -0.887 1.00 75.10 C ATOM 731 CG ASN A 50 -0.669 12.176 -1.216 1.00 11.10 C ATOM 732 OD1 ASN A 50 -1.308 13.215 -1.342 1.00 54.21 O ATOM 733 ND2 ASN A 50 0.643 12.142 -1.344 1.00 63.40 N ATOM 0 H ASN A 50 -2.184 8.720 0.058 1.00 52.44 H new ATOM 0 HA ASN A 50 -0.387 10.692 1.023 1.00 10.12 H new ATOM 0 HB2 ASN A 50 -0.830 10.047 -1.386 1.00 75.10 H new ATOM 0 HB3 ASN A 50 -2.371 10.876 -1.280 1.00 75.10 H new ATOM 0 HD21 ASN A 50 1.157 12.997 -1.554 1.00 63.40 H new ATOM 0 HD22 ASN A 50 1.144 11.260 -1.233 1.00 63.40 H new ATOM 740 N LYS A 51 -3.521 11.232 1.658 1.00 74.20 N ATOM 741 CA LYS A 51 -4.430 12.092 2.424 1.00 62.14 C ATOM 742 C LYS A 51 -3.893 12.323 3.846 1.00 12.10 C ATOM 743 O LYS A 51 -4.013 13.417 4.397 1.00 33.24 O ATOM 744 CB LYS A 51 -5.832 11.471 2.497 1.00 71.21 C ATOM 745 CG LYS A 51 -6.503 11.277 1.139 1.00 13.21 C ATOM 746 CD LYS A 51 -7.887 10.642 1.278 1.00 1.21 C ATOM 747 CE LYS A 51 -8.847 11.516 2.077 1.00 34.20 C ATOM 748 NZ LYS A 51 -9.119 12.813 1.405 1.00 61.32 N ATOM 0 H LYS A 51 -3.915 10.327 1.402 1.00 74.20 H new ATOM 0 HA LYS A 51 -4.493 13.051 1.910 1.00 62.14 H new ATOM 0 HB2 LYS A 51 -5.763 10.505 2.997 1.00 71.21 H new ATOM 0 HB3 LYS A 51 -6.466 12.106 3.116 1.00 71.21 H new ATOM 0 HG2 LYS A 51 -6.593 12.240 0.637 1.00 13.21 H new ATOM 0 HG3 LYS A 51 -5.875 10.647 0.509 1.00 13.21 H new ATOM 0 HD2 LYS A 51 -8.303 10.462 0.287 1.00 1.21 H new ATOM 0 HD3 LYS A 51 -7.792 9.672 1.765 1.00 1.21 H new ATOM 0 HE2 LYS A 51 -9.785 10.981 2.224 1.00 34.20 H new ATOM 0 HE3 LYS A 51 -8.428 11.702 3.066 1.00 34.20 H new ATOM 0 HZ1 LYS A 51 -9.876 13.315 1.912 1.00 61.32 H new ATOM 0 HZ2 LYS A 51 -8.256 13.394 1.409 1.00 61.32 H new ATOM 0 HZ3 LYS A 51 -9.415 12.640 0.423 1.00 61.32 H new ATOM 762 N LEU A 52 -3.304 11.281 4.431 1.00 73.42 N ATOM 763 CA LEU A 52 -2.756 11.364 5.789 1.00 71.34 C ATOM 764 C LEU A 52 -1.314 11.894 5.790 1.00 33.21 C ATOM 765 O LEU A 52 -0.932 12.667 6.668 1.00 65.34 O ATOM 766 CB LEU A 52 -2.806 9.991 6.474 1.00 40.14 C ATOM 767 CG LEU A 52 -4.199 9.337 6.547 1.00 4.32 C ATOM 768 CD1 LEU A 52 -4.162 8.077 7.411 1.00 44.51 C ATOM 769 CD2 LEU A 52 -5.238 10.328 7.072 1.00 62.02 C ATOM 0 H LEU A 52 -3.193 10.369 3.988 1.00 73.42 H new ATOM 0 HA LEU A 52 -3.375 12.068 6.346 1.00 71.34 H new ATOM 0 HB2 LEU A 52 -2.134 9.316 5.945 1.00 40.14 H new ATOM 0 HB3 LEU A 52 -2.419 10.096 7.488 1.00 40.14 H new ATOM 0 HG LEU A 52 -4.490 9.046 5.538 1.00 4.32 H new ATOM 0 HD11 LEU A 52 -5.156 7.632 7.448 1.00 44.51 H new ATOM 0 HD12 LEU A 52 -3.460 7.362 6.982 1.00 44.51 H new ATOM 0 HD13 LEU A 52 -3.843 8.337 8.420 1.00 44.51 H new ATOM 0 HD21 LEU A 52 -6.214 9.844 7.115 1.00 62.02 H new ATOM 0 HD22 LEU A 52 -4.953 10.659 8.071 1.00 62.02 H new ATOM 0 HD23 LEU A 52 -5.289 11.189 6.405 1.00 62.02 H new ATOM 781 N GLN A 53 -0.512 11.465 4.811 1.00 1.32 N ATOM 782 CA GLN A 53 0.893 11.894 4.711 1.00 51.44 C ATOM 783 C GLN A 53 1.250 12.374 3.292 1.00 72.22 C ATOM 784 O GLN A 53 1.803 11.617 2.492 1.00 2.32 O ATOM 785 CB GLN A 53 1.839 10.749 5.119 1.00 25.23 C ATOM 786 CG GLN A 53 1.793 10.375 6.598 1.00 52.41 C ATOM 787 CD GLN A 53 2.375 11.446 7.508 1.00 73.11 C ATOM 788 OE1 GLN A 53 3.567 11.454 7.802 1.00 15.30 O ATOM 789 NE2 GLN A 53 1.538 12.348 7.978 1.00 60.45 N ATOM 0 H GLN A 53 -0.807 10.822 4.076 1.00 1.32 H new ATOM 0 HA GLN A 53 1.019 12.734 5.395 1.00 51.44 H new ATOM 0 HB2 GLN A 53 1.594 9.866 4.528 1.00 25.23 H new ATOM 0 HB3 GLN A 53 2.860 11.031 4.862 1.00 25.23 H new ATOM 0 HG2 GLN A 53 0.759 10.186 6.886 1.00 52.41 H new ATOM 0 HG3 GLN A 53 2.340 9.444 6.747 1.00 52.41 H new ATOM 0 HE21 GLN A 53 0.553 12.315 7.716 1.00 60.45 H new ATOM 0 HE22 GLN A 53 1.875 13.079 8.604 1.00 60.45 H new ATOM 798 N PRO A 54 0.932 13.639 2.952 1.00 33.44 N ATOM 799 CA PRO A 54 1.351 14.239 1.674 1.00 52.41 C ATOM 800 C PRO A 54 2.871 14.460 1.624 1.00 74.31 C ATOM 801 O PRO A 54 3.471 14.578 0.553 1.00 63.30 O ATOM 802 CB PRO A 54 0.605 15.587 1.629 1.00 11.50 C ATOM 803 CG PRO A 54 -0.409 15.529 2.728 1.00 70.35 C ATOM 804 CD PRO A 54 0.126 14.571 3.757 1.00 25.25 C ATOM 0 HA PRO A 54 1.119 13.596 0.825 1.00 52.41 H new ATOM 0 HB2 PRO A 54 1.293 16.420 1.775 1.00 11.50 H new ATOM 0 HB3 PRO A 54 0.125 15.736 0.662 1.00 11.50 H new ATOM 0 HG2 PRO A 54 -0.566 16.516 3.163 1.00 70.35 H new ATOM 0 HG3 PRO A 54 -1.373 15.191 2.348 1.00 70.35 H new ATOM 0 HD2 PRO A 54 0.729 15.081 4.509 1.00 25.25 H new ATOM 0 HD3 PRO A 54 -0.676 14.057 4.287 1.00 25.25 H new ATOM 812 N ASP A 55 3.479 14.520 2.806 1.00 10.40 N ATOM 813 CA ASP A 55 4.929 14.674 2.947 1.00 25.51 C ATOM 814 C ASP A 55 5.676 13.369 2.591 1.00 24.11 C ATOM 815 O ASP A 55 6.875 13.384 2.296 1.00 21.54 O ATOM 816 CB ASP A 55 5.245 15.113 4.391 1.00 0.04 C ATOM 817 CG ASP A 55 6.734 15.144 4.704 1.00 43.54 C ATOM 818 OD1 ASP A 55 7.446 16.004 4.147 1.00 13.22 O ATOM 819 OD2 ASP A 55 7.195 14.312 5.521 1.00 41.33 O ATOM 0 H ASP A 55 2.982 14.463 3.695 1.00 10.40 H new ATOM 0 HA ASP A 55 5.274 15.436 2.248 1.00 25.51 H new ATOM 0 HB2 ASP A 55 4.825 16.105 4.561 1.00 0.04 H new ATOM 0 HB3 ASP A 55 4.750 14.434 5.085 1.00 0.04 H new ATOM 824 N PHE A 56 4.951 12.250 2.595 1.00 4.21 N ATOM 825 CA PHE A 56 5.546 10.930 2.350 1.00 44.02 C ATOM 826 C PHE A 56 5.600 10.614 0.845 1.00 42.32 C ATOM 827 O PHE A 56 4.576 10.342 0.214 1.00 53.52 O ATOM 828 CB PHE A 56 4.751 9.851 3.101 1.00 21.05 C ATOM 829 CG PHE A 56 5.320 8.457 2.969 1.00 62.10 C ATOM 830 CD1 PHE A 56 6.422 8.067 3.720 1.00 65.22 C ATOM 831 CD2 PHE A 56 4.749 7.535 2.101 1.00 41.41 C ATOM 832 CE1 PHE A 56 6.941 6.792 3.607 1.00 72.11 C ATOM 833 CE2 PHE A 56 5.267 6.260 1.984 1.00 43.32 C ATOM 834 CZ PHE A 56 6.363 5.889 2.738 1.00 43.13 C ATOM 0 H PHE A 56 3.946 12.229 2.766 1.00 4.21 H new ATOM 0 HA PHE A 56 6.570 10.940 2.722 1.00 44.02 H new ATOM 0 HB2 PHE A 56 4.709 10.116 4.158 1.00 21.05 H new ATOM 0 HB3 PHE A 56 3.725 9.849 2.732 1.00 21.05 H new ATOM 0 HD1 PHE A 56 6.879 8.770 4.401 1.00 65.22 H new ATOM 0 HD2 PHE A 56 3.890 7.818 1.511 1.00 41.41 H new ATOM 0 HE1 PHE A 56 7.798 6.502 4.198 1.00 72.11 H new ATOM 0 HE2 PHE A 56 4.815 5.554 1.303 1.00 43.32 H new ATOM 0 HZ PHE A 56 6.768 4.892 2.648 1.00 43.13 H new ATOM 844 N ASP A 57 6.802 10.662 0.279 1.00 32.02 N ATOM 845 CA ASP A 57 7.005 10.409 -1.150 1.00 10.01 C ATOM 846 C ASP A 57 8.017 9.272 -1.394 1.00 10.33 C ATOM 847 O ASP A 57 9.085 9.229 -0.783 1.00 15.43 O ATOM 848 CB ASP A 57 7.469 11.698 -1.834 1.00 4.30 C ATOM 849 CG ASP A 57 7.947 11.460 -3.249 1.00 12.24 C ATOM 850 OD1 ASP A 57 7.116 11.160 -4.127 1.00 74.14 O ATOM 851 OD2 ASP A 57 9.163 11.566 -3.488 1.00 74.25 O ATOM 0 H ASP A 57 7.659 10.875 0.790 1.00 32.02 H new ATOM 0 HA ASP A 57 6.055 10.089 -1.578 1.00 10.01 H new ATOM 0 HB2 ASP A 57 6.648 12.415 -1.846 1.00 4.30 H new ATOM 0 HB3 ASP A 57 8.275 12.145 -1.252 1.00 4.30 H new ATOM 856 N SER A 58 7.673 8.367 -2.309 1.00 61.32 N ATOM 857 CA SER A 58 8.523 7.207 -2.629 1.00 11.13 C ATOM 858 C SER A 58 9.851 7.621 -3.283 1.00 74.44 C ATOM 859 O SER A 58 10.893 7.009 -3.029 1.00 1.52 O ATOM 860 CB SER A 58 7.781 6.239 -3.561 1.00 21.54 C ATOM 861 OG SER A 58 6.580 5.770 -2.972 1.00 53.24 O ATOM 0 H SER A 58 6.808 8.410 -2.848 1.00 61.32 H new ATOM 0 HA SER A 58 8.751 6.713 -1.684 1.00 11.13 H new ATOM 0 HB2 SER A 58 7.555 6.740 -4.502 1.00 21.54 H new ATOM 0 HB3 SER A 58 8.426 5.393 -3.797 1.00 21.54 H new ATOM 0 HG SER A 58 5.924 5.580 -3.674 1.00 53.24 H new ATOM 867 N ARG A 59 9.815 8.663 -4.116 1.00 52.23 N ATOM 868 CA ARG A 59 11.013 9.112 -4.842 1.00 31.50 C ATOM 869 C ARG A 59 12.110 9.577 -3.866 1.00 1.01 C ATOM 870 O ARG A 59 13.300 9.380 -4.119 1.00 52.30 O ATOM 871 CB ARG A 59 10.655 10.237 -5.830 1.00 73.15 C ATOM 872 CG ARG A 59 9.585 9.850 -6.854 1.00 72.22 C ATOM 873 CD ARG A 59 10.087 8.800 -7.841 1.00 21.20 C ATOM 874 NE ARG A 59 9.042 8.360 -8.766 1.00 15.15 N ATOM 875 CZ ARG A 59 9.134 8.401 -10.070 1.00 42.03 C ATOM 876 NH1 ARG A 59 10.182 8.900 -10.650 1.00 73.44 N ATOM 877 NH2 ARG A 59 8.174 7.932 -10.797 1.00 24.40 N ATOM 0 H ARG A 59 8.976 9.211 -4.306 1.00 52.23 H new ATOM 0 HA ARG A 59 11.403 8.265 -5.407 1.00 31.50 H new ATOM 0 HB2 ARG A 59 10.308 11.104 -5.267 1.00 73.15 H new ATOM 0 HB3 ARG A 59 11.557 10.542 -6.360 1.00 73.15 H new ATOM 0 HG2 ARG A 59 8.707 9.467 -6.333 1.00 72.22 H new ATOM 0 HG3 ARG A 59 9.269 10.739 -7.400 1.00 72.22 H new ATOM 0 HD2 ARG A 59 10.923 9.209 -8.409 1.00 21.20 H new ATOM 0 HD3 ARG A 59 10.467 7.940 -7.290 1.00 21.20 H new ATOM 0 HE ARG A 59 8.179 7.995 -8.364 1.00 15.15 H new ATOM 0 HH11 ARG A 59 10.950 9.268 -10.088 1.00 73.44 H new ATOM 0 HH12 ARG A 59 10.238 8.925 -11.668 1.00 73.44 H new ATOM 0 HH21 ARG A 59 7.347 7.531 -10.354 1.00 24.40 H new ATOM 0 HH22 ARG A 59 8.243 7.963 -11.814 1.00 24.40 H new ATOM 891 N LEU A 60 11.697 10.176 -2.744 1.00 31.40 N ATOM 892 CA LEU A 60 12.634 10.593 -1.684 1.00 44.35 C ATOM 893 C LEU A 60 13.506 9.421 -1.201 1.00 13.22 C ATOM 894 O LEU A 60 14.698 9.583 -0.932 1.00 15.31 O ATOM 895 CB LEU A 60 11.870 11.167 -0.480 1.00 70.13 C ATOM 896 CG LEU A 60 10.972 12.380 -0.768 1.00 25.21 C ATOM 897 CD1 LEU A 60 10.211 12.796 0.490 1.00 71.44 C ATOM 898 CD2 LEU A 60 11.795 13.546 -1.314 1.00 24.52 C ATOM 0 H LEU A 60 10.719 10.385 -2.542 1.00 31.40 H new ATOM 0 HA LEU A 60 13.279 11.358 -2.116 1.00 44.35 H new ATOM 0 HB2 LEU A 60 11.252 10.375 -0.056 1.00 70.13 H new ATOM 0 HB3 LEU A 60 12.595 11.450 0.284 1.00 70.13 H new ATOM 0 HG LEU A 60 10.245 12.094 -1.528 1.00 25.21 H new ATOM 0 HD11 LEU A 60 9.581 13.657 0.266 1.00 71.44 H new ATOM 0 HD12 LEU A 60 9.588 11.968 0.829 1.00 71.44 H new ATOM 0 HD13 LEU A 60 10.921 13.060 1.274 1.00 71.44 H new ATOM 0 HD21 LEU A 60 11.139 14.394 -1.511 1.00 24.52 H new ATOM 0 HD22 LEU A 60 12.549 13.833 -0.582 1.00 24.52 H new ATOM 0 HD23 LEU A 60 12.285 13.244 -2.240 1.00 24.52 H new ATOM 910 N TYR A 61 12.896 8.240 -1.100 1.00 33.31 N ATOM 911 CA TYR A 61 13.568 7.047 -0.569 1.00 0.24 C ATOM 912 C TYR A 61 14.282 6.239 -1.668 1.00 54.33 C ATOM 913 O TYR A 61 14.805 5.155 -1.407 1.00 70.44 O ATOM 914 CB TYR A 61 12.547 6.162 0.160 1.00 54.54 C ATOM 915 CG TYR A 61 11.914 6.835 1.366 1.00 43.33 C ATOM 916 CD1 TYR A 61 10.819 7.683 1.223 1.00 74.14 C ATOM 917 CD2 TYR A 61 12.418 6.629 2.645 1.00 52.14 C ATOM 918 CE1 TYR A 61 10.250 8.305 2.319 1.00 75.42 C ATOM 919 CE2 TYR A 61 11.851 7.244 3.745 1.00 72.22 C ATOM 920 CZ TYR A 61 10.771 8.081 3.577 1.00 15.34 C ATOM 921 OH TYR A 61 10.215 8.701 4.674 1.00 21.25 O ATOM 0 H TYR A 61 11.929 8.080 -1.381 1.00 33.31 H new ATOM 0 HA TYR A 61 14.334 7.383 0.130 1.00 0.24 H new ATOM 0 HB2 TYR A 61 11.762 5.875 -0.540 1.00 54.54 H new ATOM 0 HB3 TYR A 61 13.038 5.244 0.482 1.00 54.54 H new ATOM 0 HD1 TYR A 61 10.407 7.858 0.240 1.00 74.14 H new ATOM 0 HD2 TYR A 61 13.268 5.977 2.781 1.00 52.14 H new ATOM 0 HE1 TYR A 61 9.403 8.962 2.191 1.00 75.42 H new ATOM 0 HE2 TYR A 61 12.253 7.069 4.732 1.00 72.22 H new ATOM 0 HH TYR A 61 10.701 8.434 5.482 1.00 21.25 H new ATOM 931 N GLY A 62 14.315 6.772 -2.888 1.00 42.15 N ATOM 932 CA GLY A 62 14.976 6.078 -3.994 1.00 43.34 C ATOM 933 C GLY A 62 14.079 5.060 -4.695 1.00 42.41 C ATOM 934 O GLY A 62 14.564 4.181 -5.408 1.00 33.11 O ATOM 0 H GLY A 62 13.898 7.670 -3.135 1.00 42.15 H new ATOM 0 HA2 GLY A 62 15.317 6.814 -4.723 1.00 43.34 H new ATOM 0 HA3 GLY A 62 15.863 5.570 -3.616 1.00 43.34 H new ATOM 938 N TYR A 63 12.770 5.172 -4.489 1.00 73.11 N ATOM 939 CA TYR A 63 11.797 4.290 -5.147 1.00 1.31 C ATOM 940 C TYR A 63 11.034 5.025 -6.253 1.00 60.24 C ATOM 941 O TYR A 63 10.875 6.243 -6.205 1.00 21.14 O ATOM 942 CB TYR A 63 10.818 3.718 -4.114 1.00 24.44 C ATOM 943 CG TYR A 63 11.455 2.703 -3.187 1.00 72.02 C ATOM 944 CD1 TYR A 63 12.195 3.098 -2.077 1.00 1.24 C ATOM 945 CD2 TYR A 63 11.321 1.346 -3.433 1.00 22.01 C ATOM 946 CE1 TYR A 63 12.782 2.163 -1.245 1.00 61.30 C ATOM 947 CE2 TYR A 63 11.899 0.409 -2.609 1.00 71.10 C ATOM 948 CZ TYR A 63 12.629 0.818 -1.516 1.00 5.33 C ATOM 949 OH TYR A 63 13.212 -0.122 -0.693 1.00 21.34 O ATOM 0 H TYR A 63 12.352 5.866 -3.870 1.00 73.11 H new ATOM 0 HA TYR A 63 12.346 3.470 -5.610 1.00 1.31 H new ATOM 0 HB2 TYR A 63 10.407 4.535 -3.521 1.00 24.44 H new ATOM 0 HB3 TYR A 63 9.982 3.251 -4.635 1.00 24.44 H new ATOM 0 HD1 TYR A 63 12.312 4.150 -1.862 1.00 1.24 H new ATOM 0 HD2 TYR A 63 10.751 1.017 -4.289 1.00 22.01 H new ATOM 0 HE1 TYR A 63 13.357 2.483 -0.388 1.00 61.30 H new ATOM 0 HE2 TYR A 63 11.781 -0.644 -2.819 1.00 71.10 H new ATOM 0 HH TYR A 63 13.006 -1.021 -1.025 1.00 21.34 H new ATOM 959 N LYS A 64 10.564 4.283 -7.250 1.00 35.44 N ATOM 960 CA LYS A 64 9.844 4.883 -8.380 1.00 11.33 C ATOM 961 C LYS A 64 8.354 5.097 -8.072 1.00 44.42 C ATOM 962 O LYS A 64 7.768 6.096 -8.482 1.00 41.33 O ATOM 963 CB LYS A 64 10.016 4.021 -9.637 1.00 13.51 C ATOM 964 CG LYS A 64 11.428 4.066 -10.218 1.00 33.25 C ATOM 965 CD LYS A 64 11.775 5.463 -10.737 1.00 4.02 C ATOM 966 CE LYS A 64 13.192 5.535 -11.292 1.00 1.21 C ATOM 967 NZ LYS A 64 14.216 5.355 -10.231 1.00 72.41 N ATOM 0 H LYS A 64 10.665 3.269 -7.304 1.00 35.44 H new ATOM 0 HA LYS A 64 10.278 5.867 -8.558 1.00 11.33 H new ATOM 0 HB2 LYS A 64 9.763 2.988 -9.397 1.00 13.51 H new ATOM 0 HB3 LYS A 64 9.308 4.354 -10.396 1.00 13.51 H new ATOM 0 HG2 LYS A 64 12.147 3.771 -9.454 1.00 33.25 H new ATOM 0 HG3 LYS A 64 11.512 3.344 -11.030 1.00 33.25 H new ATOM 0 HD2 LYS A 64 11.067 5.746 -11.516 1.00 4.02 H new ATOM 0 HD3 LYS A 64 11.666 6.186 -9.929 1.00 4.02 H new ATOM 0 HE2 LYS A 64 13.322 4.767 -12.055 1.00 1.21 H new ATOM 0 HE3 LYS A 64 13.341 6.498 -11.780 1.00 1.21 H new ATOM 0 HZ1 LYS A 64 15.158 5.561 -10.619 1.00 72.41 H new ATOM 0 HZ2 LYS A 64 14.017 6.004 -9.443 1.00 72.41 H new ATOM 0 HZ3 LYS A 64 14.191 4.374 -9.887 1.00 72.41 H new ATOM 981 N LYS A 65 7.746 4.169 -7.343 1.00 10.53 N ATOM 982 CA LYS A 65 6.327 4.290 -6.990 1.00 61.34 C ATOM 983 C LYS A 65 6.031 3.662 -5.621 1.00 34.53 C ATOM 984 O LYS A 65 6.932 3.147 -4.954 1.00 34.10 O ATOM 985 CB LYS A 65 5.450 3.646 -8.073 1.00 3.33 C ATOM 986 CG LYS A 65 5.797 2.188 -8.366 1.00 40.30 C ATOM 987 CD LYS A 65 4.846 1.570 -9.389 1.00 53.20 C ATOM 988 CE LYS A 65 4.855 2.323 -10.716 1.00 11.45 C ATOM 989 NZ LYS A 65 4.009 1.653 -11.735 1.00 51.12 N ATOM 0 H LYS A 65 8.203 3.330 -6.985 1.00 10.53 H new ATOM 0 HA LYS A 65 6.090 5.352 -6.927 1.00 61.34 H new ATOM 0 HB2 LYS A 65 4.406 3.706 -7.764 1.00 3.33 H new ATOM 0 HB3 LYS A 65 5.544 4.223 -8.993 1.00 3.33 H new ATOM 0 HG2 LYS A 65 6.820 2.126 -8.738 1.00 40.30 H new ATOM 0 HG3 LYS A 65 5.759 1.613 -7.441 1.00 40.30 H new ATOM 0 HD2 LYS A 65 5.127 0.531 -9.561 1.00 53.20 H new ATOM 0 HD3 LYS A 65 3.834 1.564 -8.984 1.00 53.20 H new ATOM 0 HE2 LYS A 65 4.498 3.341 -10.559 1.00 11.45 H new ATOM 0 HE3 LYS A 65 5.878 2.398 -11.085 1.00 11.45 H new ATOM 0 HZ1 LYS A 65 4.041 2.194 -12.623 1.00 51.12 H new ATOM 0 HZ2 LYS A 65 4.365 0.690 -11.903 1.00 51.12 H new ATOM 0 HZ3 LYS A 65 3.028 1.604 -11.394 1.00 51.12 H new ATOM 1003 N LEU A 66 4.767 3.708 -5.200 1.00 54.44 N ATOM 1004 CA LEU A 66 4.377 3.169 -3.895 1.00 21.25 C ATOM 1005 C LEU A 66 4.534 1.641 -3.843 1.00 12.11 C ATOM 1006 O LEU A 66 5.122 1.110 -2.905 1.00 20.30 O ATOM 1007 CB LEU A 66 2.936 3.566 -3.555 1.00 73.03 C ATOM 1008 CG LEU A 66 2.446 3.109 -2.171 1.00 21.13 C ATOM 1009 CD1 LEU A 66 3.330 3.678 -1.061 1.00 5.41 C ATOM 1010 CD2 LEU A 66 0.989 3.505 -1.959 1.00 41.12 C ATOM 0 H LEU A 66 4.000 4.110 -5.739 1.00 54.44 H new ATOM 0 HA LEU A 66 5.047 3.599 -3.151 1.00 21.25 H new ATOM 0 HB2 LEU A 66 2.850 4.651 -3.614 1.00 73.03 H new ATOM 0 HB3 LEU A 66 2.272 3.152 -4.314 1.00 73.03 H new ATOM 0 HG LEU A 66 2.515 2.022 -2.130 1.00 21.13 H new ATOM 0 HD11 LEU A 66 2.961 3.339 -0.093 1.00 5.41 H new ATOM 0 HD12 LEU A 66 4.355 3.334 -1.200 1.00 5.41 H new ATOM 0 HD13 LEU A 66 3.305 4.767 -1.098 1.00 5.41 H new ATOM 0 HD21 LEU A 66 0.661 3.173 -0.974 1.00 41.12 H new ATOM 0 HD22 LEU A 66 0.893 4.589 -2.027 1.00 41.12 H new ATOM 0 HD23 LEU A 66 0.370 3.037 -2.724 1.00 41.12 H new ATOM 1022 N SER A 67 4.018 0.943 -4.858 1.00 75.01 N ATOM 1023 CA SER A 67 4.115 -0.528 -4.923 1.00 10.45 C ATOM 1024 C SER A 67 5.572 -0.995 -4.838 1.00 22.24 C ATOM 1025 O SER A 67 5.889 -1.914 -4.084 1.00 11.04 O ATOM 1026 CB SER A 67 3.485 -1.059 -6.216 1.00 41.03 C ATOM 1027 OG SER A 67 4.197 -0.608 -7.353 1.00 23.33 O ATOM 0 H SER A 67 3.529 1.366 -5.647 1.00 75.01 H new ATOM 0 HA SER A 67 3.569 -0.926 -4.067 1.00 10.45 H new ATOM 0 HB2 SER A 67 3.475 -2.149 -6.198 1.00 41.03 H new ATOM 0 HB3 SER A 67 2.447 -0.732 -6.280 1.00 41.03 H new ATOM 0 HG SER A 67 3.776 -0.962 -8.164 1.00 23.33 H new ATOM 1033 N ASP A 68 6.446 -0.351 -5.617 1.00 13.20 N ATOM 1034 CA ASP A 68 7.896 -0.598 -5.566 1.00 12.33 C ATOM 1035 C ASP A 68 8.390 -0.599 -4.110 1.00 73.14 C ATOM 1036 O ASP A 68 9.126 -1.490 -3.686 1.00 13.54 O ATOM 1037 CB ASP A 68 8.620 0.490 -6.380 1.00 23.51 C ATOM 1038 CG ASP A 68 10.115 0.255 -6.559 1.00 22.54 C ATOM 1039 OD1 ASP A 68 10.580 -0.896 -6.415 1.00 1.10 O ATOM 1040 OD2 ASP A 68 10.833 1.231 -6.876 1.00 35.31 O ATOM 0 H ASP A 68 6.173 0.355 -6.300 1.00 13.20 H new ATOM 0 HA ASP A 68 8.113 -1.576 -5.995 1.00 12.33 H new ATOM 0 HB2 ASP A 68 8.156 0.560 -7.364 1.00 23.51 H new ATOM 0 HB3 ASP A 68 8.472 1.452 -5.889 1.00 23.51 H new ATOM 1045 N LEU A 69 7.945 0.399 -3.351 1.00 14.11 N ATOM 1046 CA LEU A 69 8.297 0.535 -1.934 1.00 53.04 C ATOM 1047 C LEU A 69 7.638 -0.558 -1.070 1.00 22.03 C ATOM 1048 O LEU A 69 8.297 -1.190 -0.242 1.00 23.20 O ATOM 1049 CB LEU A 69 7.872 1.925 -1.437 1.00 73.03 C ATOM 1050 CG LEU A 69 8.121 2.202 0.054 1.00 30.02 C ATOM 1051 CD1 LEU A 69 9.601 2.075 0.392 1.00 24.01 C ATOM 1052 CD2 LEU A 69 7.597 3.584 0.438 1.00 31.30 C ATOM 0 H LEU A 69 7.331 1.137 -3.697 1.00 14.11 H new ATOM 0 HA LEU A 69 9.377 0.417 -1.840 1.00 53.04 H new ATOM 0 HB2 LEU A 69 8.401 2.678 -2.021 1.00 73.03 H new ATOM 0 HB3 LEU A 69 6.809 2.054 -1.640 1.00 73.03 H new ATOM 0 HG LEU A 69 7.578 1.455 0.633 1.00 30.02 H new ATOM 0 HD11 LEU A 69 9.750 2.276 1.453 1.00 24.01 H new ATOM 0 HD12 LEU A 69 9.941 1.065 0.162 1.00 24.01 H new ATOM 0 HD13 LEU A 69 10.172 2.793 -0.197 1.00 24.01 H new ATOM 0 HD21 LEU A 69 7.782 3.762 1.497 1.00 31.30 H new ATOM 0 HD22 LEU A 69 8.108 4.344 -0.153 1.00 31.30 H new ATOM 0 HD23 LEU A 69 6.526 3.634 0.244 1.00 31.30 H new ATOM 1064 N VAL A 70 6.340 -0.773 -1.276 1.00 23.32 N ATOM 1065 CA VAL A 70 5.566 -1.734 -0.479 1.00 60.04 C ATOM 1066 C VAL A 70 6.102 -3.169 -0.617 1.00 3.43 C ATOM 1067 O VAL A 70 6.476 -3.798 0.374 1.00 62.41 O ATOM 1068 CB VAL A 70 4.067 -1.709 -0.874 1.00 43.05 C ATOM 1069 CG1 VAL A 70 3.282 -2.767 -0.103 1.00 3.32 C ATOM 1070 CG2 VAL A 70 3.468 -0.323 -0.640 1.00 34.14 C ATOM 0 H VAL A 70 5.795 -0.293 -1.992 1.00 23.32 H new ATOM 0 HA VAL A 70 5.673 -1.426 0.561 1.00 60.04 H new ATOM 0 HB VAL A 70 3.996 -1.939 -1.937 1.00 43.05 H new ATOM 0 HG11 VAL A 70 2.233 -2.729 -0.398 1.00 3.32 H new ATOM 0 HG12 VAL A 70 3.686 -3.754 -0.326 1.00 3.32 H new ATOM 0 HG13 VAL A 70 3.365 -2.574 0.967 1.00 3.32 H new ATOM 0 HG21 VAL A 70 2.416 -0.329 -0.924 1.00 34.14 H new ATOM 0 HG22 VAL A 70 3.558 -0.061 0.414 1.00 34.14 H new ATOM 0 HG23 VAL A 70 4.003 0.411 -1.243 1.00 34.14 H new ATOM 1080 N LYS A 71 6.148 -3.680 -1.847 1.00 51.41 N ATOM 1081 CA LYS A 71 6.594 -5.058 -2.086 1.00 24.00 C ATOM 1082 C LYS A 71 8.081 -5.240 -1.746 1.00 65.42 C ATOM 1083 O LYS A 71 8.548 -6.361 -1.541 1.00 71.15 O ATOM 1084 CB LYS A 71 6.332 -5.480 -3.539 1.00 5.22 C ATOM 1085 CG LYS A 71 7.160 -4.724 -4.575 1.00 61.20 C ATOM 1086 CD LYS A 71 6.972 -5.305 -5.976 1.00 71.40 C ATOM 1087 CE LYS A 71 7.441 -6.754 -6.046 1.00 24.25 C ATOM 1088 NZ LYS A 71 7.249 -7.341 -7.396 1.00 50.25 N ATOM 0 H LYS A 71 5.885 -3.168 -2.689 1.00 51.41 H new ATOM 0 HA LYS A 71 6.013 -5.700 -1.424 1.00 24.00 H new ATOM 0 HB2 LYS A 71 6.536 -6.546 -3.637 1.00 5.22 H new ATOM 0 HB3 LYS A 71 5.275 -5.336 -3.761 1.00 5.22 H new ATOM 0 HG2 LYS A 71 6.873 -3.673 -4.575 1.00 61.20 H new ATOM 0 HG3 LYS A 71 8.214 -4.767 -4.301 1.00 61.20 H new ATOM 0 HD2 LYS A 71 5.920 -5.248 -6.257 1.00 71.40 H new ATOM 0 HD3 LYS A 71 7.528 -4.706 -6.697 1.00 71.40 H new ATOM 0 HE2 LYS A 71 8.496 -6.806 -5.776 1.00 24.25 H new ATOM 0 HE3 LYS A 71 6.894 -7.347 -5.313 1.00 24.25 H new ATOM 0 HZ1 LYS A 71 7.582 -8.326 -7.397 1.00 50.25 H new ATOM 0 HZ2 LYS A 71 6.240 -7.316 -7.645 1.00 50.25 H new ATOM 0 HZ3 LYS A 71 7.791 -6.792 -8.093 1.00 50.25 H new ATOM 1102 N ALA A 72 8.830 -4.139 -1.724 1.00 74.32 N ATOM 1103 CA ALA A 72 10.234 -4.172 -1.307 1.00 63.04 C ATOM 1104 C ALA A 72 10.348 -4.242 0.222 1.00 33.12 C ATOM 1105 O ALA A 72 11.162 -4.991 0.764 1.00 55.25 O ATOM 1106 CB ALA A 72 10.977 -2.954 -1.845 1.00 54.21 C ATOM 0 H ALA A 72 8.491 -3.214 -1.989 1.00 74.32 H new ATOM 0 HA ALA A 72 10.693 -5.069 -1.722 1.00 63.04 H new ATOM 0 HB1 ALA A 72 12.019 -2.993 -1.526 1.00 54.21 H new ATOM 0 HB2 ALA A 72 10.930 -2.951 -2.934 1.00 54.21 H new ATOM 0 HB3 ALA A 72 10.514 -2.046 -1.460 1.00 54.21 H new ATOM 1112 N ARG A 73 9.518 -3.464 0.915 1.00 54.10 N ATOM 1113 CA ARG A 73 9.517 -3.440 2.381 1.00 71.44 C ATOM 1114 C ARG A 73 8.520 -4.450 2.967 1.00 43.42 C ATOM 1115 O ARG A 73 7.622 -4.084 3.733 1.00 52.01 O ATOM 1116 CB ARG A 73 9.204 -2.025 2.907 1.00 75.25 C ATOM 1117 CG ARG A 73 10.234 -0.968 2.520 1.00 60.34 C ATOM 1118 CD ARG A 73 11.648 -1.372 2.930 1.00 4.23 C ATOM 1119 NE ARG A 73 11.759 -1.680 4.359 1.00 2.43 N ATOM 1120 CZ ARG A 73 12.697 -2.439 4.873 1.00 74.23 C ATOM 1121 NH1 ARG A 73 13.600 -2.975 4.115 1.00 75.02 N ATOM 1122 NH2 ARG A 73 12.733 -2.652 6.148 1.00 23.41 N ATOM 0 H ARG A 73 8.835 -2.840 0.486 1.00 54.10 H new ATOM 0 HA ARG A 73 10.517 -3.726 2.706 1.00 71.44 H new ATOM 0 HB2 ARG A 73 8.228 -1.718 2.531 1.00 75.25 H new ATOM 0 HB3 ARG A 73 9.130 -2.062 3.994 1.00 75.25 H new ATOM 0 HG2 ARG A 73 10.201 -0.807 1.443 1.00 60.34 H new ATOM 0 HG3 ARG A 73 9.976 -0.020 2.992 1.00 60.34 H new ATOM 0 HD2 ARG A 73 11.955 -2.243 2.350 1.00 4.23 H new ATOM 0 HD3 ARG A 73 12.338 -0.565 2.682 1.00 4.23 H new ATOM 0 HE ARG A 73 11.065 -1.280 4.991 1.00 2.43 H new ATOM 0 HH11 ARG A 73 13.586 -2.808 3.109 1.00 75.02 H new ATOM 0 HH12 ARG A 73 14.325 -3.564 4.524 1.00 75.02 H new ATOM 0 HH21 ARG A 73 12.031 -2.229 6.756 1.00 23.41 H new ATOM 0 HH22 ARG A 73 13.463 -3.243 6.546 1.00 23.41 H new ATOM 1136 N THR A 74 8.700 -5.728 2.623 1.00 61.32 N ATOM 1137 CA THR A 74 7.877 -6.811 3.191 1.00 63.23 C ATOM 1138 C THR A 74 7.984 -6.832 4.720 1.00 25.23 C ATOM 1139 O THR A 74 7.135 -7.397 5.415 1.00 43.34 O ATOM 1140 CB THR A 74 8.285 -8.201 2.646 1.00 51.52 C ATOM 1141 OG1 THR A 74 9.646 -8.502 3.008 1.00 72.34 O ATOM 1142 CG2 THR A 74 8.134 -8.254 1.129 1.00 12.51 C ATOM 0 H THR A 74 9.405 -6.042 1.956 1.00 61.32 H new ATOM 0 HA THR A 74 6.849 -6.607 2.891 1.00 63.23 H new ATOM 0 HB THR A 74 7.623 -8.944 3.090 1.00 51.52 H new ATOM 0 HG1 THR A 74 9.890 -9.384 2.658 1.00 72.34 H new ATOM 0 HG21 THR A 74 8.426 -9.240 0.768 1.00 12.51 H new ATOM 0 HG22 THR A 74 7.095 -8.063 0.860 1.00 12.51 H new ATOM 0 HG23 THR A 74 8.772 -7.497 0.673 1.00 12.51 H new ATOM 1150 N ASP A 75 9.048 -6.217 5.226 1.00 3.13 N ATOM 1151 CA ASP A 75 9.253 -6.011 6.657 1.00 4.11 C ATOM 1152 C ASP A 75 8.016 -5.372 7.318 1.00 3.25 C ATOM 1153 O ASP A 75 7.599 -5.775 8.406 1.00 33.33 O ATOM 1154 CB ASP A 75 10.476 -5.112 6.850 1.00 41.40 C ATOM 1155 CG ASP A 75 10.772 -4.821 8.306 1.00 43.14 C ATOM 1156 OD1 ASP A 75 11.207 -5.747 9.021 1.00 11.12 O ATOM 1157 OD2 ASP A 75 10.581 -3.666 8.741 1.00 3.44 O ATOM 0 H ASP A 75 9.801 -5.843 4.648 1.00 3.13 H new ATOM 0 HA ASP A 75 9.414 -6.978 7.134 1.00 4.11 H new ATOM 0 HB2 ASP A 75 11.345 -5.588 6.396 1.00 41.40 H new ATOM 0 HB3 ASP A 75 10.316 -4.172 6.322 1.00 41.40 H new ATOM 1162 N LEU A 76 7.433 -4.387 6.637 1.00 35.04 N ATOM 1163 CA LEU A 76 6.270 -3.652 7.152 1.00 42.12 C ATOM 1164 C LEU A 76 4.957 -4.105 6.493 1.00 4.42 C ATOM 1165 O LEU A 76 3.903 -4.124 7.134 1.00 54.12 O ATOM 1166 CB LEU A 76 6.456 -2.146 6.911 1.00 64.22 C ATOM 1167 CG LEU A 76 7.650 -1.498 7.631 1.00 23.31 C ATOM 1168 CD1 LEU A 76 7.784 -0.026 7.247 1.00 51.41 C ATOM 1169 CD2 LEU A 76 7.514 -1.648 9.144 1.00 45.00 C ATOM 0 H LEU A 76 7.748 -4.074 5.719 1.00 35.04 H new ATOM 0 HA LEU A 76 6.203 -3.863 8.219 1.00 42.12 H new ATOM 0 HB2 LEU A 76 6.567 -1.979 5.840 1.00 64.22 H new ATOM 0 HB3 LEU A 76 5.546 -1.632 7.221 1.00 64.22 H new ATOM 0 HG LEU A 76 8.556 -2.015 7.315 1.00 23.31 H new ATOM 0 HD11 LEU A 76 8.636 0.410 7.769 1.00 51.41 H new ATOM 0 HD12 LEU A 76 7.937 0.057 6.171 1.00 51.41 H new ATOM 0 HD13 LEU A 76 6.875 0.507 7.526 1.00 51.41 H new ATOM 0 HD21 LEU A 76 8.369 -1.183 9.634 1.00 45.00 H new ATOM 0 HD22 LEU A 76 6.597 -1.162 9.477 1.00 45.00 H new ATOM 0 HD23 LEU A 76 7.479 -2.706 9.403 1.00 45.00 H new ATOM 1181 N PHE A 77 5.018 -4.462 5.212 1.00 1.41 N ATOM 1182 CA PHE A 77 3.803 -4.729 4.434 1.00 62.11 C ATOM 1183 C PHE A 77 3.770 -6.156 3.863 1.00 53.54 C ATOM 1184 O PHE A 77 4.755 -6.644 3.311 1.00 64.14 O ATOM 1185 CB PHE A 77 3.694 -3.712 3.289 1.00 74.24 C ATOM 1186 CG PHE A 77 3.876 -2.280 3.735 1.00 3.00 C ATOM 1187 CD1 PHE A 77 3.050 -1.731 4.706 1.00 74.30 C ATOM 1188 CD2 PHE A 77 4.880 -1.485 3.189 1.00 21.23 C ATOM 1189 CE1 PHE A 77 3.221 -0.428 5.124 1.00 34.15 C ATOM 1190 CE2 PHE A 77 5.051 -0.178 3.606 1.00 22.25 C ATOM 1191 CZ PHE A 77 4.221 0.349 4.574 1.00 43.12 C ATOM 0 H PHE A 77 5.888 -4.573 4.691 1.00 1.41 H new ATOM 0 HA PHE A 77 2.954 -4.632 5.111 1.00 62.11 H new ATOM 0 HB2 PHE A 77 4.443 -3.947 2.533 1.00 74.24 H new ATOM 0 HB3 PHE A 77 2.718 -3.815 2.814 1.00 74.24 H new ATOM 0 HD1 PHE A 77 2.264 -2.332 5.139 1.00 74.30 H new ATOM 0 HD2 PHE A 77 5.532 -1.894 2.431 1.00 21.23 H new ATOM 0 HE1 PHE A 77 2.572 -0.015 5.882 1.00 34.15 H new ATOM 0 HE2 PHE A 77 5.833 0.429 3.175 1.00 22.25 H new ATOM 0 HZ PHE A 77 4.354 1.370 4.902 1.00 43.12 H new ATOM 1201 N VAL A 78 2.624 -6.816 4.004 1.00 4.01 N ATOM 1202 CA VAL A 78 2.393 -8.130 3.393 1.00 31.03 C ATOM 1203 C VAL A 78 1.655 -7.966 2.055 1.00 63.24 C ATOM 1204 O VAL A 78 0.580 -7.363 2.004 1.00 13.45 O ATOM 1205 CB VAL A 78 1.559 -9.046 4.325 1.00 35.04 C ATOM 1206 CG1 VAL A 78 1.389 -10.436 3.709 1.00 64.51 C ATOM 1207 CG2 VAL A 78 2.199 -9.135 5.711 1.00 31.31 C ATOM 0 H VAL A 78 1.832 -6.462 4.540 1.00 4.01 H new ATOM 0 HA VAL A 78 3.365 -8.594 3.227 1.00 31.03 H new ATOM 0 HB VAL A 78 0.569 -8.606 4.439 1.00 35.04 H new ATOM 0 HG11 VAL A 78 0.801 -11.062 4.380 1.00 64.51 H new ATOM 0 HG12 VAL A 78 0.876 -10.349 2.751 1.00 64.51 H new ATOM 0 HG13 VAL A 78 2.369 -10.889 3.556 1.00 64.51 H new ATOM 0 HG21 VAL A 78 1.597 -9.783 6.349 1.00 31.31 H new ATOM 0 HG22 VAL A 78 3.205 -9.546 5.622 1.00 31.31 H new ATOM 0 HG23 VAL A 78 2.252 -8.140 6.152 1.00 31.31 H new ATOM 1217 N THR A 79 2.230 -8.502 0.977 1.00 35.12 N ATOM 1218 CA THR A 79 1.676 -8.302 -0.376 1.00 42.31 C ATOM 1219 C THR A 79 1.208 -9.614 -1.026 1.00 22.32 C ATOM 1220 O THR A 79 1.931 -10.616 -1.029 1.00 54.53 O ATOM 1221 CB THR A 79 2.720 -7.644 -1.317 1.00 35.03 C ATOM 1222 OG1 THR A 79 3.787 -8.563 -1.593 1.00 63.14 O ATOM 1223 CG2 THR A 79 3.302 -6.378 -0.697 1.00 40.43 C ATOM 0 H THR A 79 3.073 -9.075 1.007 1.00 35.12 H new ATOM 0 HA THR A 79 0.814 -7.647 -0.246 1.00 42.31 H new ATOM 0 HB THR A 79 2.209 -7.380 -2.243 1.00 35.03 H new ATOM 0 HG1 THR A 79 4.439 -8.138 -2.189 1.00 63.14 H new ATOM 0 HG21 THR A 79 4.030 -5.940 -1.380 1.00 40.43 H new ATOM 0 HG22 THR A 79 2.501 -5.662 -0.512 1.00 40.43 H new ATOM 0 HG23 THR A 79 3.791 -6.626 0.245 1.00 40.43 H new ATOM 1231 N GLU A 80 -0.014 -9.605 -1.569 1.00 35.44 N ATOM 1232 CA GLU A 80 -0.515 -10.714 -2.400 1.00 24.44 C ATOM 1233 C GLU A 80 -1.357 -10.189 -3.573 1.00 22.44 C ATOM 1234 O GLU A 80 -2.290 -9.403 -3.383 1.00 74.42 O ATOM 1235 CB GLU A 80 -1.342 -11.727 -1.580 1.00 13.24 C ATOM 1236 CG GLU A 80 -0.519 -12.561 -0.605 1.00 40.42 C ATOM 1237 CD GLU A 80 -1.301 -13.729 -0.021 1.00 12.53 C ATOM 1238 OE1 GLU A 80 -1.326 -14.808 -0.656 1.00 20.13 O ATOM 1239 OE2 GLU A 80 -1.876 -13.585 1.073 1.00 2.21 O ATOM 0 H GLU A 80 -0.679 -8.841 -1.449 1.00 35.44 H new ATOM 0 HA GLU A 80 0.362 -11.230 -2.791 1.00 24.44 H new ATOM 0 HB2 GLU A 80 -2.108 -11.187 -1.023 1.00 13.24 H new ATOM 0 HB3 GLU A 80 -1.860 -12.397 -2.267 1.00 13.24 H new ATOM 0 HG2 GLU A 80 0.365 -12.941 -1.116 1.00 40.42 H new ATOM 0 HG3 GLU A 80 -0.169 -11.923 0.206 1.00 40.42 H new ATOM 1246 N GLU A 81 -1.021 -10.623 -4.786 1.00 44.21 N ATOM 1247 CA GLU A 81 -1.762 -10.222 -5.984 1.00 31.21 C ATOM 1248 C GLU A 81 -2.937 -11.178 -6.232 1.00 13.13 C ATOM 1249 O GLU A 81 -2.751 -12.390 -6.358 1.00 61.41 O ATOM 1250 CB GLU A 81 -0.832 -10.205 -7.207 1.00 54.32 C ATOM 1251 CG GLU A 81 0.365 -9.269 -7.059 1.00 52.14 C ATOM 1252 CD GLU A 81 1.238 -9.222 -8.303 1.00 44.44 C ATOM 1253 OE1 GLU A 81 1.986 -10.189 -8.549 1.00 54.23 O ATOM 1254 OE2 GLU A 81 1.179 -8.216 -9.041 1.00 61.34 O ATOM 0 H GLU A 81 -0.240 -11.253 -4.967 1.00 44.21 H new ATOM 0 HA GLU A 81 -2.154 -9.217 -5.826 1.00 31.21 H new ATOM 0 HB2 GLU A 81 -0.470 -11.217 -7.390 1.00 54.32 H new ATOM 0 HB3 GLU A 81 -1.407 -9.909 -8.084 1.00 54.32 H new ATOM 0 HG2 GLU A 81 0.008 -8.264 -6.834 1.00 52.14 H new ATOM 0 HG3 GLU A 81 0.968 -9.591 -6.210 1.00 52.14 H new ATOM 1261 N ARG A 82 -4.144 -10.630 -6.307 1.00 23.03 N ATOM 1262 CA ARG A 82 -5.359 -11.440 -6.443 1.00 74.34 C ATOM 1263 C ARG A 82 -6.046 -11.153 -7.784 1.00 45.03 C ATOM 1264 O ARG A 82 -6.158 -10.000 -8.190 1.00 74.24 O ATOM 1265 CB ARG A 82 -6.325 -11.122 -5.289 1.00 30.25 C ATOM 1266 CG ARG A 82 -5.671 -11.136 -3.905 1.00 42.21 C ATOM 1267 CD ARG A 82 -5.025 -12.479 -3.576 1.00 70.23 C ATOM 1268 NE ARG A 82 -6.007 -13.545 -3.415 1.00 63.35 N ATOM 1269 CZ ARG A 82 -5.697 -14.771 -3.102 1.00 4.13 C ATOM 1270 NH1 ARG A 82 -4.461 -15.113 -2.937 1.00 74.11 N ATOM 1271 NH2 ARG A 82 -6.624 -15.655 -2.954 1.00 70.41 N ATOM 0 H ARG A 82 -4.313 -9.625 -6.276 1.00 23.03 H new ATOM 0 HA ARG A 82 -5.083 -12.494 -6.408 1.00 74.34 H new ATOM 0 HB2 ARG A 82 -6.768 -10.141 -5.460 1.00 30.25 H new ATOM 0 HB3 ARG A 82 -7.140 -11.846 -5.301 1.00 30.25 H new ATOM 0 HG2 ARG A 82 -4.916 -10.352 -3.856 1.00 42.21 H new ATOM 0 HG3 ARG A 82 -6.422 -10.903 -3.150 1.00 42.21 H new ATOM 0 HD2 ARG A 82 -4.328 -12.748 -4.370 1.00 70.23 H new ATOM 0 HD3 ARG A 82 -4.443 -12.384 -2.659 1.00 70.23 H new ATOM 0 HE ARG A 82 -6.991 -13.318 -3.555 1.00 63.35 H new ATOM 0 HH11 ARG A 82 -3.721 -14.421 -3.052 1.00 74.11 H new ATOM 0 HH12 ARG A 82 -4.226 -16.075 -2.692 1.00 74.11 H new ATOM 0 HH21 ARG A 82 -7.602 -15.395 -3.082 1.00 70.41 H new ATOM 0 HH22 ARG A 82 -6.379 -16.614 -2.709 1.00 70.41 H new ATOM 1285 N GLN A 83 -6.521 -12.192 -8.460 1.00 52.45 N ATOM 1286 CA GLN A 83 -7.159 -12.019 -9.771 1.00 32.42 C ATOM 1287 C GLN A 83 -8.601 -11.505 -9.616 1.00 2.44 C ATOM 1288 O GLN A 83 -9.353 -11.974 -8.763 1.00 52.23 O ATOM 1289 CB GLN A 83 -7.147 -13.341 -10.550 1.00 1.20 C ATOM 1290 CG GLN A 83 -7.639 -13.213 -11.991 1.00 40.21 C ATOM 1291 CD GLN A 83 -7.685 -14.546 -12.719 1.00 11.04 C ATOM 1292 OE1 GLN A 83 -6.917 -15.460 -12.428 1.00 60.10 O ATOM 1293 NE2 GLN A 83 -8.579 -14.668 -13.679 1.00 31.22 N ATOM 0 H GLN A 83 -6.480 -13.157 -8.131 1.00 52.45 H new ATOM 0 HA GLN A 83 -6.590 -11.277 -10.330 1.00 32.42 H new ATOM 0 HB2 GLN A 83 -6.132 -13.739 -10.557 1.00 1.20 H new ATOM 0 HB3 GLN A 83 -7.770 -14.066 -10.026 1.00 1.20 H new ATOM 0 HG2 GLN A 83 -8.635 -12.769 -11.992 1.00 40.21 H new ATOM 0 HG3 GLN A 83 -6.985 -12.530 -12.534 1.00 40.21 H new ATOM 0 HE21 GLN A 83 -9.203 -13.891 -13.897 1.00 31.22 H new ATOM 0 HE22 GLN A 83 -8.648 -15.540 -14.204 1.00 31.22 H new ATOM 1302 N VAL A 84 -8.976 -10.540 -10.453 1.00 43.13 N ATOM 1303 CA VAL A 84 -10.281 -9.872 -10.335 1.00 63.24 C ATOM 1304 C VAL A 84 -11.379 -10.597 -11.140 1.00 1.21 C ATOM 1305 O VAL A 84 -11.249 -10.778 -12.351 1.00 44.55 O ATOM 1306 CB VAL A 84 -10.192 -8.403 -10.820 1.00 53.33 C ATOM 1307 CG1 VAL A 84 -11.515 -7.672 -10.595 1.00 5.34 C ATOM 1308 CG2 VAL A 84 -9.042 -7.674 -10.125 1.00 44.43 C ATOM 0 H VAL A 84 -8.399 -10.200 -11.222 1.00 43.13 H new ATOM 0 HA VAL A 84 -10.550 -9.899 -9.279 1.00 63.24 H new ATOM 0 HB VAL A 84 -9.992 -8.411 -11.891 1.00 53.33 H new ATOM 0 HG11 VAL A 84 -11.426 -6.643 -10.944 1.00 5.34 H new ATOM 0 HG12 VAL A 84 -12.308 -8.176 -11.148 1.00 5.34 H new ATOM 0 HG13 VAL A 84 -11.756 -7.675 -9.532 1.00 5.34 H new ATOM 0 HG21 VAL A 84 -8.997 -6.644 -10.480 1.00 44.43 H new ATOM 0 HG22 VAL A 84 -9.206 -7.680 -9.047 1.00 44.43 H new ATOM 0 HG23 VAL A 84 -8.102 -8.177 -10.352 1.00 44.43 H new ATOM 1318 N PRO A 85 -12.481 -11.010 -10.475 1.00 23.33 N ATOM 1319 CA PRO A 85 -13.613 -11.690 -11.142 1.00 1.20 C ATOM 1320 C PRO A 85 -14.168 -10.897 -12.341 1.00 31.03 C ATOM 1321 O PRO A 85 -14.481 -9.707 -12.227 1.00 51.44 O ATOM 1322 CB PRO A 85 -14.667 -11.797 -10.030 1.00 44.23 C ATOM 1323 CG PRO A 85 -13.883 -11.773 -8.763 1.00 3.23 C ATOM 1324 CD PRO A 85 -12.711 -10.862 -9.023 1.00 73.12 C ATOM 0 HA PRO A 85 -13.314 -12.650 -11.563 1.00 1.20 H new ATOM 0 HB2 PRO A 85 -15.374 -10.969 -10.074 1.00 44.23 H new ATOM 0 HB3 PRO A 85 -15.246 -12.716 -10.120 1.00 44.23 H new ATOM 0 HG2 PRO A 85 -14.489 -11.404 -7.935 1.00 3.23 H new ATOM 0 HG3 PRO A 85 -13.548 -12.774 -8.492 1.00 3.23 H new ATOM 0 HD2 PRO A 85 -12.936 -9.830 -8.755 1.00 73.12 H new ATOM 0 HD3 PRO A 85 -11.836 -11.158 -8.445 1.00 73.12 H new ATOM 1332 N GLY A 86 -14.277 -11.554 -13.495 1.00 63.02 N ATOM 1333 CA GLY A 86 -14.758 -10.883 -14.701 1.00 53.12 C ATOM 1334 C GLY A 86 -13.634 -10.227 -15.504 1.00 53.04 C ATOM 1335 O GLY A 86 -13.793 -9.941 -16.695 1.00 14.35 O ATOM 0 H GLY A 86 -14.042 -12.539 -13.620 1.00 63.02 H new ATOM 0 HA2 GLY A 86 -15.274 -11.606 -15.332 1.00 53.12 H new ATOM 0 HA3 GLY A 86 -15.489 -10.124 -14.422 1.00 53.12 H new ATOM 1339 N SER A 87 -12.495 -9.992 -14.850 1.00 64.25 N ATOM 1340 CA SER A 87 -11.329 -9.366 -15.493 1.00 40.23 C ATOM 1341 C SER A 87 -10.157 -10.355 -15.588 1.00 13.22 C ATOM 1342 O SER A 87 -9.979 -11.208 -14.718 1.00 50.43 O ATOM 1343 CB SER A 87 -10.883 -8.123 -14.701 1.00 12.32 C ATOM 1344 OG SER A 87 -11.931 -7.166 -14.594 1.00 62.34 O ATOM 0 H SER A 87 -12.351 -10.226 -13.868 1.00 64.25 H new ATOM 0 HA SER A 87 -11.623 -9.070 -16.500 1.00 40.23 H new ATOM 0 HB2 SER A 87 -10.560 -8.423 -13.704 1.00 12.32 H new ATOM 0 HB3 SER A 87 -10.023 -7.668 -15.191 1.00 12.32 H new ATOM 0 HG SER A 87 -11.615 -6.391 -14.084 1.00 62.34 H new ATOM 1350 N THR A 88 -9.355 -10.241 -16.641 1.00 61.43 N ATOM 1351 CA THR A 88 -8.196 -11.131 -16.820 1.00 64.21 C ATOM 1352 C THR A 88 -6.948 -10.590 -16.104 1.00 42.15 C ATOM 1353 O THR A 88 -5.895 -11.231 -16.091 1.00 61.44 O ATOM 1354 CB THR A 88 -7.870 -11.348 -18.319 1.00 33.11 C ATOM 1355 OG1 THR A 88 -6.858 -12.363 -18.474 1.00 1.35 O ATOM 1356 CG2 THR A 88 -7.400 -10.054 -18.978 1.00 61.11 C ATOM 0 H THR A 88 -9.478 -9.550 -17.381 1.00 61.43 H new ATOM 0 HA THR A 88 -8.471 -12.087 -16.375 1.00 64.21 H new ATOM 0 HB THR A 88 -8.787 -11.674 -18.810 1.00 33.11 H new ATOM 0 HG1 THR A 88 -6.220 -12.305 -17.732 1.00 1.35 H new ATOM 0 HG21 THR A 88 -7.179 -10.240 -20.029 1.00 61.11 H new ATOM 0 HG22 THR A 88 -8.184 -9.300 -18.900 1.00 61.11 H new ATOM 0 HG23 THR A 88 -6.501 -9.696 -18.476 1.00 61.11 H new ATOM 1364 N GLN A 89 -7.069 -9.402 -15.515 1.00 11.32 N ATOM 1365 CA GLN A 89 -5.962 -8.777 -14.777 1.00 71.32 C ATOM 1366 C GLN A 89 -6.019 -9.114 -13.277 1.00 14.21 C ATOM 1367 O GLN A 89 -7.072 -9.478 -12.742 1.00 71.21 O ATOM 1368 CB GLN A 89 -5.998 -7.250 -14.955 1.00 10.44 C ATOM 1369 CG GLN A 89 -7.205 -6.583 -14.298 1.00 45.13 C ATOM 1370 CD GLN A 89 -7.245 -5.081 -14.519 1.00 62.05 C ATOM 1371 OE1 GLN A 89 -6.701 -4.308 -13.738 1.00 3.45 O ATOM 1372 NE2 GLN A 89 -7.886 -4.657 -15.588 1.00 72.24 N ATOM 0 H GLN A 89 -7.925 -8.847 -15.532 1.00 11.32 H new ATOM 0 HA GLN A 89 -5.033 -9.175 -15.185 1.00 71.32 H new ATOM 0 HB2 GLN A 89 -5.086 -6.823 -14.537 1.00 10.44 H new ATOM 0 HB3 GLN A 89 -6.000 -7.017 -16.020 1.00 10.44 H new ATOM 0 HG2 GLN A 89 -8.119 -7.027 -14.693 1.00 45.13 H new ATOM 0 HG3 GLN A 89 -7.188 -6.787 -13.227 1.00 45.13 H new ATOM 0 HE21 GLN A 89 -8.328 -5.327 -16.217 1.00 72.24 H new ATOM 0 HE22 GLN A 89 -7.941 -3.658 -15.787 1.00 72.24 H new ATOM 1381 N LYS A 90 -4.879 -8.985 -12.604 1.00 63.30 N ATOM 1382 CA LYS A 90 -4.802 -9.186 -11.151 1.00 25.20 C ATOM 1383 C LYS A 90 -4.583 -7.849 -10.416 1.00 21.24 C ATOM 1384 O LYS A 90 -3.875 -6.970 -10.906 1.00 3.10 O ATOM 1385 CB LYS A 90 -3.667 -10.166 -10.816 1.00 12.41 C ATOM 1386 CG LYS A 90 -2.276 -9.660 -11.199 1.00 42.30 C ATOM 1387 CD LYS A 90 -1.176 -10.646 -10.820 1.00 74.13 C ATOM 1388 CE LYS A 90 -1.300 -11.968 -11.568 1.00 32.34 C ATOM 1389 NZ LYS A 90 -0.192 -12.901 -11.222 1.00 31.23 N ATOM 0 H LYS A 90 -3.989 -8.741 -13.040 1.00 63.30 H new ATOM 0 HA LYS A 90 -5.750 -9.605 -10.814 1.00 25.20 H new ATOM 0 HB2 LYS A 90 -3.685 -10.375 -9.746 1.00 12.41 H new ATOM 0 HB3 LYS A 90 -3.853 -11.110 -11.328 1.00 12.41 H new ATOM 0 HG2 LYS A 90 -2.242 -9.476 -12.273 1.00 42.30 H new ATOM 0 HG3 LYS A 90 -2.091 -8.706 -10.706 1.00 42.30 H new ATOM 0 HD2 LYS A 90 -0.204 -10.201 -11.032 1.00 74.13 H new ATOM 0 HD3 LYS A 90 -1.213 -10.834 -9.747 1.00 74.13 H new ATOM 0 HE2 LYS A 90 -2.256 -12.433 -11.329 1.00 32.34 H new ATOM 0 HE3 LYS A 90 -1.296 -11.781 -12.642 1.00 32.34 H new ATOM 0 HZ1 LYS A 90 -0.309 -13.790 -11.749 1.00 31.23 H new ATOM 0 HZ2 LYS A 90 0.719 -12.467 -11.473 1.00 31.23 H new ATOM 0 HZ3 LYS A 90 -0.211 -13.099 -10.201 1.00 31.23 H new ATOM 1403 N ALA A 91 -5.206 -7.698 -9.249 1.00 71.51 N ATOM 1404 CA ALA A 91 -5.043 -6.494 -8.424 1.00 10.51 C ATOM 1405 C ALA A 91 -4.241 -6.796 -7.147 1.00 62.15 C ATOM 1406 O ALA A 91 -4.457 -7.814 -6.489 1.00 64.44 O ATOM 1407 CB ALA A 91 -6.409 -5.914 -8.067 1.00 61.41 C ATOM 0 H ALA A 91 -5.832 -8.396 -8.848 1.00 71.51 H new ATOM 0 HA ALA A 91 -4.484 -5.760 -9.004 1.00 10.51 H new ATOM 0 HB1 ALA A 91 -6.277 -5.022 -7.455 1.00 61.41 H new ATOM 0 HB2 ALA A 91 -6.943 -5.652 -8.980 1.00 61.41 H new ATOM 0 HB3 ALA A 91 -6.984 -6.654 -7.510 1.00 61.41 H new ATOM 1413 N LEU A 92 -3.320 -5.905 -6.800 1.00 23.42 N ATOM 1414 CA LEU A 92 -2.464 -6.086 -5.623 1.00 44.43 C ATOM 1415 C LEU A 92 -3.176 -5.658 -4.325 1.00 40.40 C ATOM 1416 O LEU A 92 -3.552 -4.494 -4.163 1.00 74.44 O ATOM 1417 CB LEU A 92 -1.164 -5.285 -5.802 1.00 3.32 C ATOM 1418 CG LEU A 92 -0.180 -5.348 -4.621 1.00 61.12 C ATOM 1419 CD1 LEU A 92 0.421 -6.747 -4.481 1.00 44.21 C ATOM 1420 CD2 LEU A 92 0.919 -4.298 -4.788 1.00 4.34 C ATOM 0 H LEU A 92 -3.143 -5.044 -7.317 1.00 23.42 H new ATOM 0 HA LEU A 92 -2.234 -7.148 -5.535 1.00 44.43 H new ATOM 0 HB2 LEU A 92 -0.655 -5.646 -6.696 1.00 3.32 H new ATOM 0 HB3 LEU A 92 -1.422 -4.241 -5.982 1.00 3.32 H new ATOM 0 HG LEU A 92 -0.730 -5.130 -3.706 1.00 61.12 H new ATOM 0 HD11 LEU A 92 1.113 -6.763 -3.639 1.00 44.21 H new ATOM 0 HD12 LEU A 92 -0.376 -7.470 -4.310 1.00 44.21 H new ATOM 0 HD13 LEU A 92 0.956 -7.006 -5.395 1.00 44.21 H new ATOM 0 HD21 LEU A 92 1.608 -4.355 -3.945 1.00 4.34 H new ATOM 0 HD22 LEU A 92 1.463 -4.485 -5.714 1.00 4.34 H new ATOM 0 HD23 LEU A 92 0.471 -3.305 -4.824 1.00 4.34 H new ATOM 1432 N TYR A 93 -3.359 -6.607 -3.405 1.00 4.31 N ATOM 1433 CA TYR A 93 -3.945 -6.313 -2.091 1.00 4.11 C ATOM 1434 C TYR A 93 -2.880 -6.373 -0.989 1.00 63.42 C ATOM 1435 O TYR A 93 -1.996 -7.236 -1.007 1.00 2.20 O ATOM 1436 CB TYR A 93 -5.102 -7.273 -1.777 1.00 54.11 C ATOM 1437 CG TYR A 93 -6.334 -7.021 -2.627 1.00 12.11 C ATOM 1438 CD1 TYR A 93 -6.430 -7.515 -3.923 1.00 1.15 C ATOM 1439 CD2 TYR A 93 -7.392 -6.260 -2.135 1.00 51.32 C ATOM 1440 CE1 TYR A 93 -7.545 -7.264 -4.700 1.00 10.14 C ATOM 1441 CE2 TYR A 93 -8.510 -6.009 -2.908 1.00 23.53 C ATOM 1442 CZ TYR A 93 -8.581 -6.512 -4.188 1.00 43.40 C ATOM 1443 OH TYR A 93 -9.691 -6.258 -4.963 1.00 75.30 O ATOM 0 H TYR A 93 -3.111 -7.587 -3.543 1.00 4.31 H new ATOM 0 HA TYR A 93 -4.344 -5.299 -2.124 1.00 4.11 H new ATOM 0 HB2 TYR A 93 -4.766 -8.299 -1.930 1.00 54.11 H new ATOM 0 HB3 TYR A 93 -5.369 -7.178 -0.724 1.00 54.11 H new ATOM 0 HD1 TYR A 93 -5.621 -8.104 -4.329 1.00 1.15 H new ATOM 0 HD2 TYR A 93 -7.338 -5.860 -1.133 1.00 51.32 H new ATOM 0 HE1 TYR A 93 -7.605 -7.656 -5.705 1.00 10.14 H new ATOM 0 HE2 TYR A 93 -9.324 -5.421 -2.510 1.00 23.53 H new ATOM 0 HH TYR A 93 -10.329 -5.715 -4.453 1.00 75.30 H new ATOM 1453 N LEU A 94 -2.974 -5.451 -0.032 1.00 43.12 N ATOM 1454 CA LEU A 94 -1.944 -5.279 0.998 1.00 11.30 C ATOM 1455 C LEU A 94 -2.531 -5.390 2.416 1.00 5.24 C ATOM 1456 O LEU A 94 -3.687 -5.031 2.650 1.00 4.02 O ATOM 1457 CB LEU A 94 -1.294 -3.893 0.831 1.00 40.15 C ATOM 1458 CG LEU A 94 -0.826 -3.547 -0.593 1.00 63.05 C ATOM 1459 CD1 LEU A 94 -0.294 -2.119 -0.662 1.00 53.21 C ATOM 1460 CD2 LEU A 94 0.225 -4.540 -1.078 1.00 53.22 C ATOM 0 H LEU A 94 -3.759 -4.805 0.054 1.00 43.12 H new ATOM 0 HA LEU A 94 -1.206 -6.072 0.874 1.00 11.30 H new ATOM 0 HB2 LEU A 94 -2.008 -3.135 1.154 1.00 40.15 H new ATOM 0 HB3 LEU A 94 -0.437 -3.830 1.501 1.00 40.15 H new ATOM 0 HG LEU A 94 -1.689 -3.618 -1.255 1.00 63.05 H new ATOM 0 HD11 LEU A 94 0.030 -1.900 -1.679 1.00 53.21 H new ATOM 0 HD12 LEU A 94 -1.082 -1.423 -0.375 1.00 53.21 H new ATOM 0 HD13 LEU A 94 0.551 -2.012 0.019 1.00 53.21 H new ATOM 0 HD21 LEU A 94 0.539 -4.273 -2.087 1.00 53.22 H new ATOM 0 HD22 LEU A 94 1.086 -4.513 -0.411 1.00 53.22 H new ATOM 0 HD23 LEU A 94 -0.198 -5.544 -1.083 1.00 53.22 H new ATOM 1472 N ARG A 95 -1.727 -5.881 3.359 1.00 1.33 N ATOM 1473 CA ARG A 95 -2.104 -5.866 4.778 1.00 25.24 C ATOM 1474 C ARG A 95 -0.876 -5.633 5.669 1.00 30.55 C ATOM 1475 O ARG A 95 0.254 -5.930 5.281 1.00 5.35 O ATOM 1476 CB ARG A 95 -2.833 -7.159 5.180 1.00 53.31 C ATOM 1477 CG ARG A 95 -1.970 -8.416 5.189 1.00 55.42 C ATOM 1478 CD ARG A 95 -2.792 -9.653 5.548 1.00 53.25 C ATOM 1479 NE ARG A 95 -3.487 -9.505 6.828 1.00 12.14 N ATOM 1480 CZ ARG A 95 -4.764 -9.713 7.003 1.00 11.23 C ATOM 1481 NH1 ARG A 95 -5.523 -10.064 6.015 1.00 70.23 N ATOM 1482 NH2 ARG A 95 -5.282 -9.570 8.176 1.00 54.33 N ATOM 0 H ARG A 95 -0.813 -6.293 3.170 1.00 1.33 H new ATOM 0 HA ARG A 95 -2.795 -5.036 4.926 1.00 25.24 H new ATOM 0 HB2 ARG A 95 -3.259 -7.023 6.174 1.00 53.31 H new ATOM 0 HB3 ARG A 95 -3.666 -7.315 4.495 1.00 53.31 H new ATOM 0 HG2 ARG A 95 -1.513 -8.553 4.209 1.00 55.42 H new ATOM 0 HG3 ARG A 95 -1.157 -8.296 5.906 1.00 55.42 H new ATOM 0 HD2 ARG A 95 -3.521 -9.843 4.761 1.00 53.25 H new ATOM 0 HD3 ARG A 95 -2.136 -10.523 5.591 1.00 53.25 H new ATOM 0 HE ARG A 95 -2.936 -9.220 7.638 1.00 12.14 H new ATOM 0 HH11 ARG A 95 -5.125 -10.182 5.083 1.00 70.23 H new ATOM 0 HH12 ARG A 95 -6.519 -10.223 6.168 1.00 70.23 H new ATOM 0 HH21 ARG A 95 -4.694 -9.295 8.963 1.00 54.33 H new ATOM 0 HH22 ARG A 95 -6.279 -9.732 8.316 1.00 54.33 H new ATOM 1496 N ALA A 96 -1.110 -5.093 6.861 1.00 74.12 N ATOM 1497 CA ALA A 96 -0.023 -4.706 7.770 1.00 15.50 C ATOM 1498 C ALA A 96 0.697 -5.920 8.377 1.00 0.40 C ATOM 1499 O ALA A 96 0.081 -6.951 8.658 1.00 62.25 O ATOM 1500 CB ALA A 96 -0.568 -3.807 8.877 1.00 23.30 C ATOM 0 H ALA A 96 -2.045 -4.911 7.226 1.00 74.12 H new ATOM 0 HA ALA A 96 0.715 -4.160 7.181 1.00 15.50 H new ATOM 0 HB1 ALA A 96 0.243 -3.523 9.548 1.00 23.30 H new ATOM 0 HB2 ALA A 96 -1.004 -2.911 8.436 1.00 23.30 H new ATOM 0 HB3 ALA A 96 -1.332 -4.344 9.439 1.00 23.30 H new ATOM 1506 N LYS A 97 2.008 -5.789 8.576 1.00 41.04 N ATOM 1507 CA LYS A 97 2.799 -6.823 9.244 1.00 24.33 C ATOM 1508 C LYS A 97 2.615 -6.738 10.765 1.00 74.22 C ATOM 1509 O LYS A 97 3.171 -5.857 11.420 1.00 1.41 O ATOM 1510 CB LYS A 97 4.289 -6.678 8.891 1.00 23.42 C ATOM 1511 CG LYS A 97 5.192 -7.721 9.547 1.00 0.22 C ATOM 1512 CD LYS A 97 4.962 -9.122 8.979 1.00 31.51 C ATOM 1513 CE LYS A 97 5.411 -9.223 7.525 1.00 53.44 C ATOM 1514 NZ LYS A 97 6.871 -8.991 7.384 1.00 35.10 N ATOM 0 H LYS A 97 2.547 -4.974 8.283 1.00 41.04 H new ATOM 0 HA LYS A 97 2.449 -7.795 8.897 1.00 24.33 H new ATOM 0 HB2 LYS A 97 4.403 -6.744 7.809 1.00 23.42 H new ATOM 0 HB3 LYS A 97 4.626 -5.684 9.187 1.00 23.42 H new ATOM 0 HG2 LYS A 97 6.235 -7.439 9.403 1.00 0.22 H new ATOM 0 HG3 LYS A 97 5.011 -7.732 10.622 1.00 0.22 H new ATOM 0 HD2 LYS A 97 5.506 -9.852 9.579 1.00 31.51 H new ATOM 0 HD3 LYS A 97 3.904 -9.375 9.051 1.00 31.51 H new ATOM 0 HE2 LYS A 97 5.160 -10.209 7.134 1.00 53.44 H new ATOM 0 HE3 LYS A 97 4.867 -8.494 6.925 1.00 53.44 H new ATOM 0 HZ1 LYS A 97 7.033 -8.122 6.835 1.00 35.10 H new ATOM 0 HZ2 LYS A 97 7.299 -8.890 8.326 1.00 35.10 H new ATOM 0 HZ3 LYS A 97 7.305 -9.798 6.891 1.00 35.10 H new