USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 522 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 56 THR OG1 : rot -40:sc= 1.11 USER MOD Set 1.2: A 71 ASN : amide:sc= 1.11 K(o=2.2,f=-4.7!) USER MOD Set 2.1: A 49 HIS : no HE2:sc= 0.655 K(o=1.9,f=-5.1!) USER MOD Set 2.2: A 112 LYS NZ :NH3+ 179:sc= 1.22 (180deg=0.467) USER MOD Set 3.1: A 33 GLN : amide:sc= 1.34 K(o=2.5,f=-1.4!) USER MOD Set 3.2: A 43 SER OG : rot -63:sc= 1.19 USER MOD Set 4.1: A 30 GLN : amide:sc= 0.142 X(o=1.1,f=0.7) USER MOD Set 4.2: A 31 SER OG : rot -91:sc= 0.967 USER MOD Set 4.3: A 34 GLN : amide:sc= 0 X(o=1.1,f=0.99) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.532 K(o=0.53,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.682 K(o=0.68,f=-0.046) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= 3.26 (180deg=2.87) USER MOD Single : A 36 SER OG : rot 103:sc= 0.984 USER MOD Single : A 41 THR OG1 : rot -8:sc= 0.74 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 55 TYR OH : rot -30:sc= 0.0286 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 0.195 (180deg=0.143) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 1.21 K(o=1.2,f=-3.5!) USER MOD Single : A 80 GLN : amide:sc= 0.661 K(o=0.66,f=-0.41) USER MOD Single : A 88 TYR OH : rot 88:sc= 0.405 USER MOD Single : A 107 ASN : amide:sc= 0.676 K(o=0.68,f=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 2.920 -1.488 -1.001 1.00 0.00 N ATOM 265 CA ILE A 18 1.588 -0.967 -0.542 1.00 0.00 C ATOM 266 C ILE A 18 1.074 -1.875 0.608 1.00 0.00 C ATOM 267 O ILE A 18 0.680 -3.022 0.387 1.00 0.00 O ATOM 268 CB ILE A 18 0.668 -0.815 -1.795 1.00 0.00 C ATOM 269 CG1 ILE A 18 1.053 0.462 -2.608 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.844 -0.848 -1.526 1.00 0.00 C ATOM 271 CD1 ILE A 18 0.643 1.808 -2.016 1.00 0.00 C ATOM 0 HA ILE A 18 1.628 0.030 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 18 0.859 -1.713 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.135 0.466 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.610 0.379 -3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.383 -0.734 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.111 -1.800 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.112 -0.033 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.969 2.611 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.441 1.844 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.108 1.932 -1.038 1.00 0.00 H new ATOM 283 N LYS A 19 1.165 -1.376 1.852 1.00 0.00 N ATOM 284 CA LYS A 19 1.145 -2.233 3.066 1.00 0.00 C ATOM 285 C LYS A 19 0.706 -1.389 4.299 1.00 0.00 C ATOM 286 O LYS A 19 1.292 -0.342 4.596 1.00 0.00 O ATOM 287 CB LYS A 19 2.567 -2.824 3.225 1.00 0.00 C ATOM 288 CG LYS A 19 2.781 -3.877 4.322 1.00 0.00 C ATOM 289 CD LYS A 19 2.052 -5.205 4.049 1.00 0.00 C ATOM 290 CE LYS A 19 2.498 -6.316 5.012 1.00 0.00 C ATOM 291 NZ LYS A 19 1.974 -7.636 4.571 1.00 0.00 N ATOM 0 H LYS A 19 1.254 -0.380 2.052 1.00 0.00 H new ATOM 0 HA LYS A 19 0.426 -3.048 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.854 -3.268 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.255 -1.999 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.849 -4.072 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.438 -3.473 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.977 -5.054 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.241 -5.518 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.587 -6.348 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.142 -6.096 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.287 -8.373 5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.935 -7.607 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.334 -7.852 3.619 1.00 0.00 H new ATOM 305 N GLN A 20 -0.319 -1.852 5.029 1.00 0.00 N ATOM 306 CA GLN A 20 -0.894 -1.082 6.179 1.00 0.00 C ATOM 307 C GLN A 20 -0.001 -0.876 7.442 1.00 0.00 C ATOM 308 O GLN A 20 -0.120 0.182 8.065 1.00 0.00 O ATOM 309 CB GLN A 20 -2.306 -1.636 6.461 1.00 0.00 C ATOM 310 CG GLN A 20 -3.191 -0.869 7.464 1.00 0.00 C ATOM 311 CD GLN A 20 -3.563 0.576 7.169 1.00 0.00 C ATOM 312 OE1 GLN A 20 -4.654 0.894 6.702 1.00 0.00 O ATOM 313 NE2 GLN A 20 -2.698 1.515 7.475 1.00 0.00 N ATOM 0 H GLN A 20 -0.775 -2.748 4.858 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.951 -0.040 5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.841 -1.688 5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.199 -2.659 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.118 -1.430 7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.685 -0.887 8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.789 1.264 7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.935 2.496 7.324 1.00 0.00 H new ATOM 322 N ASN A 21 0.879 -1.821 7.812 1.00 0.00 N ATOM 323 CA ASN A 21 1.864 -1.606 8.913 1.00 0.00 C ATOM 324 C ASN A 21 3.231 -1.005 8.454 1.00 0.00 C ATOM 325 O ASN A 21 3.679 -0.037 9.071 1.00 0.00 O ATOM 326 CB ASN A 21 2.006 -2.930 9.702 1.00 0.00 C ATOM 327 CG ASN A 21 2.704 -2.774 11.050 1.00 0.00 C ATOM 328 OD1 ASN A 21 2.224 -2.085 11.945 1.00 0.00 O ATOM 329 ND2 ASN A 21 3.845 -3.385 11.250 1.00 0.00 N ATOM 0 H ASN A 21 0.938 -2.740 7.374 1.00 0.00 H new ATOM 0 HA ASN A 21 1.476 -0.829 9.572 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.015 -3.353 9.864 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.563 -3.645 9.096 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.327 -3.286 12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.252 -3.960 10.512 1.00 0.00 H new ATOM 336 N ALA A 22 3.893 -1.557 7.421 1.00 0.00 N ATOM 337 CA ALA A 22 5.193 -1.025 6.931 1.00 0.00 C ATOM 338 C ALA A 22 5.178 0.417 6.344 1.00 0.00 C ATOM 339 O ALA A 22 6.097 1.182 6.644 1.00 0.00 O ATOM 340 CB ALA A 22 5.771 -2.033 5.928 1.00 0.00 C ATOM 0 H ALA A 22 3.556 -2.370 6.905 1.00 0.00 H new ATOM 0 HA ALA A 22 5.828 -0.915 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.726 -1.666 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.920 -2.993 6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.078 -2.157 5.096 1.00 0.00 H new ATOM 346 N VAL A 23 4.147 0.808 5.574 1.00 0.00 N ATOM 347 CA VAL A 23 3.970 2.228 5.141 1.00 0.00 C ATOM 348 C VAL A 23 3.561 3.187 6.308 1.00 0.00 C ATOM 349 O VAL A 23 4.068 4.307 6.336 1.00 0.00 O ATOM 350 CB VAL A 23 3.028 2.372 3.911 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.981 3.812 3.347 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.402 1.448 2.742 1.00 0.00 C ATOM 0 H VAL A 23 3.423 0.175 5.235 1.00 0.00 H new ATOM 0 HA VAL A 23 4.959 2.551 4.817 1.00 0.00 H new ATOM 0 HB VAL A 23 2.053 2.090 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.307 3.846 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.622 4.493 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.981 4.113 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.704 1.601 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.414 1.677 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.354 0.409 3.070 1.00 0.00 H new ATOM 362 N GLU A 24 2.722 2.778 7.280 1.00 0.00 N ATOM 363 CA GLU A 24 2.588 3.525 8.572 1.00 0.00 C ATOM 364 C GLU A 24 3.935 3.752 9.330 1.00 0.00 C ATOM 365 O GLU A 24 4.269 4.897 9.651 1.00 0.00 O ATOM 366 CB GLU A 24 1.485 2.819 9.394 1.00 0.00 C ATOM 367 CG GLU A 24 1.023 3.524 10.682 1.00 0.00 C ATOM 368 CD GLU A 24 1.885 3.331 11.919 1.00 0.00 C ATOM 369 OE1 GLU A 24 2.189 2.173 12.284 1.00 0.00 O ATOM 370 OE2 GLU A 24 2.242 4.333 12.564 1.00 0.00 O ATOM 0 H GLU A 24 2.131 1.950 7.210 1.00 0.00 H new ATOM 0 HA GLU A 24 2.285 4.554 8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.616 2.683 8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.843 1.825 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.956 4.593 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.015 3.180 10.914 1.00 0.00 H new ATOM 377 N GLN A 25 4.723 2.689 9.552 1.00 0.00 N ATOM 378 CA GLN A 25 6.007 2.786 10.275 1.00 0.00 C ATOM 379 C GLN A 25 7.237 3.350 9.506 1.00 0.00 C ATOM 380 O GLN A 25 8.155 3.800 10.201 1.00 0.00 O ATOM 381 CB GLN A 25 6.336 1.424 10.940 1.00 0.00 C ATOM 382 CG GLN A 25 5.495 1.092 12.195 1.00 0.00 C ATOM 383 CD GLN A 25 5.643 2.076 13.355 1.00 0.00 C ATOM 384 OE1 GLN A 25 6.741 2.437 13.778 1.00 0.00 O ATOM 385 NE2 GLN A 25 4.559 2.590 13.881 1.00 0.00 N ATOM 0 H GLN A 25 4.494 1.745 9.240 1.00 0.00 H new ATOM 0 HA GLN A 25 5.829 3.564 11.017 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.192 0.633 10.204 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.391 1.416 11.215 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.444 1.049 11.908 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.771 0.097 12.545 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.641 2.302 13.542 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.633 3.279 14.630 1.00 0.00 H new ATOM 394 N LEU A 26 7.293 3.392 8.159 1.00 0.00 N ATOM 395 CA LEU A 26 8.432 4.031 7.427 1.00 0.00 C ATOM 396 C LEU A 26 8.816 5.486 7.807 1.00 0.00 C ATOM 397 O LEU A 26 10.011 5.780 7.865 1.00 0.00 O ATOM 398 CB LEU A 26 8.382 3.761 5.907 1.00 0.00 C ATOM 399 CG LEU A 26 7.242 4.319 5.043 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.296 5.811 4.714 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.236 3.562 3.693 1.00 0.00 C ATOM 0 H LEU A 26 6.575 2.998 7.551 1.00 0.00 H new ATOM 0 HA LEU A 26 9.297 3.499 7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.315 4.135 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.383 2.679 5.774 1.00 0.00 H new ATOM 0 HG LEU A 26 6.348 4.176 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.437 6.079 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.276 6.388 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.214 6.030 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.432 3.945 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.191 3.709 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.081 2.498 3.873 1.00 0.00 H new ATOM 413 N GLN A 27 7.832 6.352 8.133 1.00 0.00 N ATOM 414 CA GLN A 27 8.082 7.659 8.827 1.00 0.00 C ATOM 415 C GLN A 27 9.079 8.638 8.128 1.00 0.00 C ATOM 416 O GLN A 27 9.964 9.218 8.759 1.00 0.00 O ATOM 417 CB GLN A 27 8.339 7.292 10.309 1.00 0.00 C ATOM 418 CG GLN A 27 8.231 8.424 11.343 1.00 0.00 C ATOM 419 CD GLN A 27 8.014 7.865 12.754 1.00 0.00 C ATOM 420 OE1 GLN A 27 8.698 6.957 13.226 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.011 8.335 13.451 1.00 0.00 N ATOM 0 H GLN A 27 6.848 6.179 7.930 1.00 0.00 H new ATOM 0 HA GLN A 27 7.214 8.315 8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.634 6.510 10.590 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.338 6.862 10.382 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.139 9.027 11.323 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.405 9.084 11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.435 9.087 13.073 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.805 7.949 14.372 1.00 0.00 H new ATOM 430 N VAL A 28 8.892 8.819 6.810 1.00 0.00 N ATOM 431 CA VAL A 28 9.825 9.585 5.939 1.00 0.00 C ATOM 432 C VAL A 28 9.161 10.957 5.579 1.00 0.00 C ATOM 433 O VAL A 28 8.052 10.989 5.039 1.00 0.00 O ATOM 434 CB VAL A 28 10.148 8.757 4.640 1.00 0.00 C ATOM 435 CG1 VAL A 28 11.094 9.509 3.673 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.818 7.392 4.923 1.00 0.00 C ATOM 0 H VAL A 28 8.089 8.440 6.308 1.00 0.00 H new ATOM 0 HA VAL A 28 10.764 9.768 6.461 1.00 0.00 H new ATOM 0 HB VAL A 28 9.166 8.606 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.283 8.891 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.630 10.446 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.037 9.720 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.010 6.879 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.760 7.551 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.157 6.783 5.539 1.00 0.00 H new ATOM 446 N GLY A 29 9.883 12.061 5.817 1.00 0.00 N ATOM 447 CA GLY A 29 9.471 13.411 5.360 1.00 0.00 C ATOM 448 C GLY A 29 10.497 14.073 4.426 1.00 0.00 C ATOM 449 O GLY A 29 11.096 15.082 4.797 1.00 0.00 O ATOM 0 H GLY A 29 10.766 12.052 6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.514 13.336 4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.315 14.050 6.229 1.00 0.00 H new ATOM 453 N GLN A 30 10.686 13.505 3.225 1.00 0.00 N ATOM 454 CA GLN A 30 11.792 13.898 2.308 1.00 0.00 C ATOM 455 C GLN A 30 11.284 14.391 0.930 1.00 0.00 C ATOM 456 O GLN A 30 11.543 15.545 0.593 1.00 0.00 O ATOM 457 CB GLN A 30 12.791 12.711 2.256 1.00 0.00 C ATOM 458 CG GLN A 30 13.961 12.786 1.254 1.00 0.00 C ATOM 459 CD GLN A 30 14.867 14.001 1.340 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.679 14.140 2.247 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.775 14.917 0.405 1.00 0.00 N ATOM 0 H GLN A 30 10.088 12.766 2.855 1.00 0.00 H new ATOM 0 HA GLN A 30 12.318 14.774 2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.214 12.588 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.223 11.807 2.037 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.576 11.895 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.547 12.743 0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.101 14.807 -0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.378 15.739 0.436 1.00 0.00 H new ATOM 470 N SER A 31 10.653 13.524 0.124 1.00 0.00 N ATOM 471 CA SER A 31 10.451 13.782 -1.325 1.00 0.00 C ATOM 472 C SER A 31 9.219 13.002 -1.866 1.00 0.00 C ATOM 473 O SER A 31 9.093 11.786 -1.681 1.00 0.00 O ATOM 474 CB SER A 31 11.714 13.384 -2.135 1.00 0.00 C ATOM 475 OG SER A 31 12.746 14.368 -2.020 1.00 0.00 O ATOM 0 H SER A 31 10.270 12.634 0.444 1.00 0.00 H new ATOM 0 HA SER A 31 10.270 14.850 -1.446 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.086 12.423 -1.781 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.448 13.256 -3.184 1.00 0.00 H new ATOM 0 HG SER A 31 12.655 15.024 -2.742 1.00 0.00 H new ATOM 481 N LYS A 32 8.362 13.720 -2.602 1.00 0.00 N ATOM 482 CA LYS A 32 7.154 13.158 -3.255 1.00 0.00 C ATOM 483 C LYS A 32 7.352 11.983 -4.247 1.00 0.00 C ATOM 484 O LYS A 32 6.697 10.946 -4.124 1.00 0.00 O ATOM 485 CB LYS A 32 6.278 14.293 -3.839 1.00 0.00 C ATOM 486 CG LYS A 32 6.755 15.096 -5.062 1.00 0.00 C ATOM 487 CD LYS A 32 7.752 16.214 -4.729 1.00 0.00 C ATOM 488 CE LYS A 32 8.081 17.078 -5.953 1.00 0.00 C ATOM 489 NZ LYS A 32 8.813 18.287 -5.505 1.00 0.00 N ATOM 0 H LYS A 32 8.481 14.719 -2.768 1.00 0.00 H new ATOM 0 HA LYS A 32 6.625 12.660 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.314 13.855 -4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.098 15.007 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.217 14.412 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.888 15.533 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.339 16.844 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.670 15.776 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.686 16.512 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.165 17.362 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.676 19.052 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.450 18.589 -4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.827 18.070 -5.426 1.00 0.00 H new ATOM 503 N GLN A 33 8.268 12.160 -5.199 1.00 0.00 N ATOM 504 CA GLN A 33 8.604 11.116 -6.195 1.00 0.00 C ATOM 505 C GLN A 33 9.392 9.890 -5.648 1.00 0.00 C ATOM 506 O GLN A 33 9.128 8.770 -6.081 1.00 0.00 O ATOM 507 CB GLN A 33 9.324 11.838 -7.352 1.00 0.00 C ATOM 508 CG GLN A 33 9.535 10.981 -8.612 1.00 0.00 C ATOM 509 CD GLN A 33 8.287 10.666 -9.433 1.00 0.00 C ATOM 510 OE1 GLN A 33 7.172 11.133 -9.198 1.00 0.00 O ATOM 511 NE2 GLN A 33 8.436 9.856 -10.450 1.00 0.00 N ATOM 0 H GLN A 33 8.801 13.022 -5.310 1.00 0.00 H new ATOM 0 HA GLN A 33 7.683 10.641 -6.532 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.749 12.723 -7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.295 12.184 -6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.249 11.492 -9.258 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.994 10.039 -8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.353 9.461 -10.657 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.635 9.620 -11.035 1.00 0.00 H new ATOM 520 N GLN A 34 10.315 10.097 -4.699 1.00 0.00 N ATOM 521 CA GLN A 34 10.962 8.996 -3.940 1.00 0.00 C ATOM 522 C GLN A 34 9.964 8.070 -3.164 1.00 0.00 C ATOM 523 O GLN A 34 10.021 6.854 -3.357 1.00 0.00 O ATOM 524 CB GLN A 34 12.045 9.546 -2.976 1.00 0.00 C ATOM 525 CG GLN A 34 13.278 10.164 -3.671 1.00 0.00 C ATOM 526 CD GLN A 34 14.416 10.488 -2.708 1.00 0.00 C ATOM 527 OE1 GLN A 34 15.048 9.605 -2.139 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.745 11.739 -2.495 1.00 0.00 N ATOM 0 H GLN A 34 10.639 11.026 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 34 11.429 8.366 -4.697 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.591 10.301 -2.335 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.379 8.736 -2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.641 9.473 -4.432 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.977 11.076 -4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.231 12.488 -2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.515 11.964 -1.865 1.00 0.00 H new ATOM 537 N VAL A 35 9.031 8.620 -2.360 1.00 0.00 N ATOM 538 CA VAL A 35 7.931 7.804 -1.756 1.00 0.00 C ATOM 539 C VAL A 35 6.953 7.154 -2.778 1.00 0.00 C ATOM 540 O VAL A 35 6.671 5.961 -2.647 1.00 0.00 O ATOM 541 CB VAL A 35 7.267 8.583 -0.583 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.360 9.755 -0.985 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.451 7.652 0.338 1.00 0.00 C ATOM 0 H VAL A 35 9.007 9.609 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 35 8.385 6.913 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 35 8.127 9.006 -0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.952 10.224 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.940 10.488 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.543 9.387 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.005 8.236 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.663 7.169 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.108 6.893 0.762 1.00 0.00 H new ATOM 553 N SER A 36 6.491 7.885 -3.806 1.00 0.00 N ATOM 554 CA SER A 36 5.670 7.292 -4.893 1.00 0.00 C ATOM 555 C SER A 36 6.350 6.189 -5.752 1.00 0.00 C ATOM 556 O SER A 36 5.701 5.187 -6.042 1.00 0.00 O ATOM 557 CB SER A 36 5.038 8.422 -5.739 1.00 0.00 C ATOM 558 OG SER A 36 5.786 8.743 -6.917 1.00 0.00 O ATOM 0 H SER A 36 6.667 8.884 -3.914 1.00 0.00 H new ATOM 0 HA SER A 36 4.884 6.724 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.029 8.127 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.944 9.317 -5.123 1.00 0.00 H new ATOM 0 HG SER A 36 5.347 8.351 -7.700 1.00 0.00 H new ATOM 564 N ALA A 37 7.628 6.340 -6.128 1.00 0.00 N ATOM 565 CA ALA A 37 8.411 5.262 -6.783 1.00 0.00 C ATOM 566 C ALA A 37 8.646 3.972 -5.937 1.00 0.00 C ATOM 567 O ALA A 37 8.499 2.875 -6.478 1.00 0.00 O ATOM 568 CB ALA A 37 9.738 5.882 -7.243 1.00 0.00 C ATOM 0 H ALA A 37 8.153 7.204 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 37 7.816 4.892 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.346 5.120 -7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.537 6.691 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.274 6.275 -6.380 1.00 0.00 H new ATOM 574 N LEU A 38 8.952 4.100 -4.634 1.00 0.00 N ATOM 575 CA LEU A 38 8.977 2.943 -3.694 1.00 0.00 C ATOM 576 C LEU A 38 7.589 2.250 -3.442 1.00 0.00 C ATOM 577 O LEU A 38 7.527 1.019 -3.408 1.00 0.00 O ATOM 578 CB LEU A 38 9.640 3.376 -2.358 1.00 0.00 C ATOM 579 CG LEU A 38 11.173 3.192 -2.270 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.978 4.045 -3.253 1.00 0.00 C ATOM 581 CD2 LEU A 38 11.636 3.532 -0.838 1.00 0.00 C ATOM 0 H LEU A 38 9.187 4.992 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 38 9.571 2.172 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.410 4.427 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.179 2.812 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 38 11.364 2.152 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.042 3.849 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.689 3.794 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.777 5.100 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.716 3.405 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.375 4.565 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.144 2.866 -0.129 1.00 0.00 H new ATOM 593 N LEU A 39 6.507 3.020 -3.297 1.00 0.00 N ATOM 594 CA LEU A 39 5.120 2.486 -3.293 1.00 0.00 C ATOM 595 C LEU A 39 4.586 1.912 -4.663 1.00 0.00 C ATOM 596 O LEU A 39 3.798 0.967 -4.652 1.00 0.00 O ATOM 597 CB LEU A 39 4.192 3.635 -2.815 1.00 0.00 C ATOM 598 CG LEU A 39 4.373 4.094 -1.348 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.612 5.409 -1.136 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.894 3.059 -0.334 1.00 0.00 C ATOM 0 H LEU A 39 6.556 4.032 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 39 5.123 1.620 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.350 4.496 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.158 3.319 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 39 5.442 4.230 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.735 5.738 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.006 6.170 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.553 5.254 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.048 3.440 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.833 2.861 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.458 2.135 -0.463 1.00 0.00 H new ATOM 612 N GLY A 40 4.990 2.499 -5.794 1.00 0.00 N ATOM 613 CA GLY A 40 4.583 2.069 -7.149 1.00 0.00 C ATOM 614 C GLY A 40 3.525 2.963 -7.818 1.00 0.00 C ATOM 615 O GLY A 40 2.404 2.508 -8.067 1.00 0.00 O ATOM 0 H GLY A 40 5.620 3.301 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.467 2.037 -7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.195 1.052 -7.091 1.00 0.00 H new ATOM 619 N THR A 41 3.857 4.239 -8.073 1.00 0.00 N ATOM 620 CA THR A 41 2.906 5.272 -8.586 1.00 0.00 C ATOM 621 C THR A 41 3.721 6.559 -9.020 1.00 0.00 C ATOM 622 O THR A 41 4.659 6.937 -8.310 1.00 0.00 O ATOM 623 CB THR A 41 1.843 5.633 -7.495 1.00 0.00 C ATOM 624 OG1 THR A 41 1.079 4.478 -7.162 1.00 0.00 O ATOM 625 CG2 THR A 41 0.806 6.662 -7.913 1.00 0.00 C ATOM 0 H THR A 41 4.801 4.599 -7.931 1.00 0.00 H new ATOM 0 HA THR A 41 2.374 4.875 -9.450 1.00 0.00 H new ATOM 0 HB THR A 41 2.441 6.036 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.300 3.750 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.118 6.841 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.305 7.594 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.251 6.290 -8.774 1.00 0.00 H new ATOM 633 N PRO A 42 3.390 7.303 -10.106 1.00 0.00 N ATOM 634 CA PRO A 42 3.957 8.676 -10.344 1.00 0.00 C ATOM 635 C PRO A 42 3.316 9.783 -9.451 1.00 0.00 C ATOM 636 O PRO A 42 2.103 9.796 -9.223 1.00 0.00 O ATOM 637 CB PRO A 42 3.658 8.872 -11.854 1.00 0.00 C ATOM 638 CG PRO A 42 2.345 8.088 -12.090 1.00 0.00 C ATOM 639 CD PRO A 42 2.480 6.855 -11.180 1.00 0.00 C ATOM 0 HA PRO A 42 5.012 8.759 -10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.541 9.927 -12.103 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.468 8.486 -12.473 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.471 8.684 -11.827 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.233 7.802 -13.136 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.514 6.545 -10.782 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.890 6.002 -11.721 1.00 0.00 H new ATOM 647 N SER A 43 4.141 10.715 -8.955 1.00 0.00 N ATOM 648 CA SER A 43 3.681 11.795 -8.037 1.00 0.00 C ATOM 649 C SER A 43 3.193 13.083 -8.786 1.00 0.00 C ATOM 650 O SER A 43 2.584 13.006 -9.856 1.00 0.00 O ATOM 651 CB SER A 43 4.830 12.011 -7.005 1.00 0.00 C ATOM 652 OG SER A 43 5.965 12.679 -7.562 1.00 0.00 O ATOM 0 H SER A 43 5.138 10.752 -9.169 1.00 0.00 H new ATOM 0 HA SER A 43 2.775 11.505 -7.504 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.451 12.591 -6.164 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.142 11.044 -6.610 1.00 0.00 H new ATOM 0 HG SER A 43 6.358 12.124 -8.268 1.00 0.00 H new ATOM 658 N ILE A 44 3.469 14.265 -8.218 1.00 0.00 N ATOM 659 CA ILE A 44 3.409 15.561 -8.949 1.00 0.00 C ATOM 660 C ILE A 44 4.909 16.051 -8.977 1.00 0.00 C ATOM 661 O ILE A 44 5.325 16.704 -8.013 1.00 0.00 O ATOM 662 CB ILE A 44 2.415 16.566 -8.270 1.00 0.00 C ATOM 663 CG1 ILE A 44 0.970 15.998 -8.129 1.00 0.00 C ATOM 664 CG2 ILE A 44 2.348 17.872 -9.101 1.00 0.00 C ATOM 665 CD1 ILE A 44 0.075 16.828 -7.210 1.00 0.00 C ATOM 0 H ILE A 44 3.741 14.361 -7.240 1.00 0.00 H new ATOM 0 HA ILE A 44 3.011 15.471 -9.960 1.00 0.00 H new ATOM 0 HB ILE A 44 2.799 16.751 -7.267 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.512 15.943 -9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.025 14.979 -7.746 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.657 18.569 -8.628 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.339 18.322 -9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.001 17.645 -10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.915 16.374 -7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.511 16.862 -6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.010 17.841 -7.603 1.00 0.00 H new ATOM 677 N PRO A 45 5.767 15.728 -9.989 1.00 0.00 N ATOM 678 CA PRO A 45 7.248 15.950 -9.870 1.00 0.00 C ATOM 679 C PRO A 45 7.747 17.329 -10.373 1.00 0.00 C ATOM 680 O PRO A 45 8.430 17.431 -11.396 1.00 0.00 O ATOM 681 CB PRO A 45 7.796 14.727 -10.658 1.00 0.00 C ATOM 682 CG PRO A 45 6.769 14.530 -11.798 1.00 0.00 C ATOM 683 CD PRO A 45 5.423 14.817 -11.109 1.00 0.00 C ATOM 0 HA PRO A 45 7.600 16.001 -8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.795 14.919 -11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.865 13.842 -10.025 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.951 15.214 -12.627 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.807 13.519 -12.204 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.716 15.282 -11.796 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.959 13.900 -10.747 1.00 0.00 H new ATOM 691 N ASP A 46 7.451 18.378 -9.595 1.00 0.00 N ATOM 692 CA ASP A 46 7.922 19.755 -9.860 1.00 0.00 C ATOM 693 C ASP A 46 8.775 20.317 -8.671 1.00 0.00 C ATOM 694 O ASP A 46 8.390 20.142 -7.508 1.00 0.00 O ATOM 695 CB ASP A 46 6.773 20.680 -10.315 1.00 0.00 C ATOM 696 CG ASP A 46 5.770 21.170 -9.290 1.00 0.00 C ATOM 697 OD1 ASP A 46 4.756 20.479 -9.053 1.00 0.00 O ATOM 698 OD2 ASP A 46 5.988 22.262 -8.719 1.00 0.00 O ATOM 0 H ASP A 46 6.875 18.301 -8.757 1.00 0.00 H new ATOM 0 HA ASP A 46 8.606 19.720 -10.708 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.222 21.557 -10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.218 20.156 -11.093 1.00 0.00 H new ATOM 703 N PRO A 47 9.909 21.026 -8.888 1.00 0.00 N ATOM 704 CA PRO A 47 10.551 21.862 -7.819 1.00 0.00 C ATOM 705 C PRO A 47 9.880 23.229 -7.464 1.00 0.00 C ATOM 706 O PRO A 47 10.336 23.882 -6.523 1.00 0.00 O ATOM 707 CB PRO A 47 11.968 22.057 -8.431 1.00 0.00 C ATOM 708 CG PRO A 47 11.709 22.151 -9.955 1.00 0.00 C ATOM 709 CD PRO A 47 10.588 21.128 -10.196 1.00 0.00 C ATOM 0 HA PRO A 47 10.491 21.372 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.446 22.960 -8.051 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.626 21.222 -8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.405 23.156 -10.249 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.603 21.908 -10.529 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.904 21.462 -10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.988 20.165 -10.514 1.00 0.00 H new ATOM 717 N PHE A 48 8.835 23.658 -8.191 1.00 0.00 N ATOM 718 CA PHE A 48 8.162 24.962 -7.970 1.00 0.00 C ATOM 719 C PHE A 48 7.219 24.965 -6.736 1.00 0.00 C ATOM 720 O PHE A 48 7.537 25.644 -5.756 1.00 0.00 O ATOM 721 CB PHE A 48 7.506 25.361 -9.317 1.00 0.00 C ATOM 722 CG PHE A 48 6.912 26.777 -9.347 1.00 0.00 C ATOM 723 CD1 PHE A 48 7.727 27.894 -9.590 1.00 0.00 C ATOM 724 CD2 PHE A 48 5.541 26.979 -9.121 1.00 0.00 C ATOM 725 CE1 PHE A 48 7.184 29.181 -9.599 1.00 0.00 C ATOM 726 CE2 PHE A 48 4.999 28.265 -9.129 1.00 0.00 C ATOM 727 CZ PHE A 48 5.822 29.364 -9.369 1.00 0.00 C ATOM 0 H PHE A 48 8.428 23.114 -8.952 1.00 0.00 H new ATOM 0 HA PHE A 48 8.880 25.733 -7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.252 25.278 -10.107 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.717 24.646 -9.547 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.783 27.757 -9.772 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.899 26.130 -8.939 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.820 30.034 -9.784 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.944 28.408 -8.950 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.403 30.359 -9.377 1.00 0.00 H new ATOM 737 N HIS A 49 6.072 24.259 -6.774 1.00 0.00 N ATOM 738 CA HIS A 49 5.155 24.170 -5.602 1.00 0.00 C ATOM 739 C HIS A 49 4.309 22.864 -5.671 1.00 0.00 C ATOM 740 O HIS A 49 3.090 22.889 -5.877 1.00 0.00 O ATOM 741 CB HIS A 49 4.311 25.465 -5.531 1.00 0.00 C ATOM 742 CG HIS A 49 3.530 25.732 -4.228 1.00 0.00 C ATOM 743 ND1 HIS A 49 2.711 26.836 -4.119 1.00 0.00 N ATOM 744 CD2 HIS A 49 3.530 25.031 -2.989 1.00 0.00 C ATOM 745 CE1 HIS A 49 2.293 26.719 -2.824 1.00 0.00 C ATOM 746 NE2 HIS A 49 2.721 25.665 -2.059 1.00 0.00 N ATOM 0 H HIS A 49 5.753 23.743 -7.594 1.00 0.00 H new ATOM 0 HA HIS A 49 5.717 24.101 -4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.976 26.311 -5.704 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.597 25.447 -6.354 1.00 0.00 H new ATOM 0 HD1 HIS A 49 2.481 27.545 -4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.087 24.125 -2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.626 27.456 -2.403 1.00 0.00 H new ATOM 754 N ALA A 50 4.966 21.720 -5.435 1.00 0.00 N ATOM 755 CA ALA A 50 4.334 20.398 -5.607 1.00 0.00 C ATOM 756 C ALA A 50 3.577 19.938 -4.337 1.00 0.00 C ATOM 757 O ALA A 50 4.168 19.552 -3.322 1.00 0.00 O ATOM 758 CB ALA A 50 5.448 19.430 -5.986 1.00 0.00 C ATOM 0 H ALA A 50 5.937 21.680 -5.124 1.00 0.00 H new ATOM 0 HA ALA A 50 3.574 20.439 -6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.031 18.432 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.917 19.760 -6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.193 19.404 -5.191 1.00 0.00 H new ATOM 764 N GLN A 51 2.248 20.016 -4.419 1.00 0.00 N ATOM 765 CA GLN A 51 1.353 19.759 -3.261 1.00 0.00 C ATOM 766 C GLN A 51 0.783 18.305 -3.289 1.00 0.00 C ATOM 767 O GLN A 51 1.356 17.408 -3.910 1.00 0.00 O ATOM 768 CB GLN A 51 0.321 20.925 -3.244 1.00 0.00 C ATOM 769 CG GLN A 51 0.970 22.272 -2.832 1.00 0.00 C ATOM 770 CD GLN A 51 0.011 23.446 -2.813 1.00 0.00 C ATOM 771 OE1 GLN A 51 -0.578 23.780 -1.790 1.00 0.00 O ATOM 772 NE2 GLN A 51 -0.147 24.135 -3.918 1.00 0.00 N ATOM 0 H GLN A 51 1.753 20.256 -5.278 1.00 0.00 H new ATOM 0 HA GLN A 51 1.872 19.770 -2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.127 21.026 -4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.486 20.685 -2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.411 22.162 -1.841 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.785 22.495 -3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.344 23.856 -4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.760 24.950 -3.928 1.00 0.00 H new ATOM 781 N ARG A 52 -0.290 18.052 -2.533 1.00 0.00 N ATOM 782 CA ARG A 52 -0.805 16.688 -2.245 1.00 0.00 C ATOM 783 C ARG A 52 -1.102 15.727 -3.448 1.00 0.00 C ATOM 784 O ARG A 52 -1.550 16.145 -4.516 1.00 0.00 O ATOM 785 CB ARG A 52 -2.029 16.858 -1.291 1.00 0.00 C ATOM 786 CG ARG A 52 -3.417 17.099 -1.907 1.00 0.00 C ATOM 787 CD ARG A 52 -3.636 18.370 -2.748 1.00 0.00 C ATOM 788 NE ARG A 52 -4.447 18.021 -3.949 1.00 0.00 N ATOM 789 CZ ARG A 52 -4.004 18.008 -5.204 1.00 0.00 C ATOM 790 NH1 ARG A 52 -2.999 18.730 -5.625 1.00 0.00 N ATOM 791 NH2 ARG A 52 -4.601 17.239 -6.066 1.00 0.00 N ATOM 0 H ARG A 52 -0.840 18.790 -2.093 1.00 0.00 H new ATOM 0 HA ARG A 52 0.020 16.144 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.093 15.963 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.814 17.692 -0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.655 16.241 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.143 17.110 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.146 19.130 -2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.677 18.792 -3.050 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.424 17.771 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.508 19.347 -4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.706 18.676 -6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.391 16.663 -5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.280 17.212 -7.034 1.00 0.00 H new ATOM 805 N TRP A 53 -0.909 14.427 -3.212 1.00 0.00 N ATOM 806 CA TRP A 53 -1.400 13.335 -4.116 1.00 0.00 C ATOM 807 C TRP A 53 -2.717 12.804 -3.497 1.00 0.00 C ATOM 808 O TRP A 53 -2.667 12.021 -2.550 1.00 0.00 O ATOM 809 CB TRP A 53 -0.228 12.333 -4.212 1.00 0.00 C ATOM 810 CG TRP A 53 -0.401 10.828 -4.604 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.545 10.140 -5.111 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.532 9.801 -4.365 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.349 8.749 -5.185 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.072 8.558 -4.697 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.842 9.816 -3.772 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.614 7.336 -4.416 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.474 8.609 -3.492 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.872 7.384 -3.823 1.00 0.00 C ATOM 0 H TRP A 53 -0.409 14.081 -2.393 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.656 13.621 -5.136 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.478 12.756 -4.927 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.261 12.341 -3.238 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.460 10.633 -5.405 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.002 8.042 -5.523 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.329 10.753 -3.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.161 6.387 -4.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.442 8.614 -3.013 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.395 6.463 -3.614 1.00 0.00 H new ATOM 829 N ASP A 54 -3.874 13.233 -4.019 1.00 0.00 N ATOM 830 CA ASP A 54 -5.216 12.843 -3.488 1.00 0.00 C ATOM 831 C ASP A 54 -6.083 11.992 -4.469 1.00 0.00 C ATOM 832 O ASP A 54 -7.264 12.269 -4.697 1.00 0.00 O ATOM 833 CB ASP A 54 -5.906 14.126 -2.973 1.00 0.00 C ATOM 834 CG ASP A 54 -6.180 15.283 -3.922 1.00 0.00 C ATOM 835 OD1 ASP A 54 -5.989 15.173 -5.150 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.491 16.385 -3.425 1.00 0.00 O ATOM 0 H ASP A 54 -3.921 13.861 -4.822 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.083 12.147 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.862 13.828 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.297 14.515 -2.157 1.00 0.00 H new ATOM 841 N TYR A 55 -5.496 10.925 -5.038 1.00 0.00 N ATOM 842 CA TYR A 55 -6.022 10.336 -6.299 1.00 0.00 C ATOM 843 C TYR A 55 -6.515 8.874 -6.086 1.00 0.00 C ATOM 844 O TYR A 55 -5.740 7.980 -5.728 1.00 0.00 O ATOM 845 CB TYR A 55 -4.950 10.429 -7.426 1.00 0.00 C ATOM 846 CG TYR A 55 -4.451 11.864 -7.758 1.00 0.00 C ATOM 847 CD1 TYR A 55 -5.347 12.919 -8.017 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.079 12.151 -7.744 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.883 14.223 -8.206 1.00 0.00 C ATOM 850 CE2 TYR A 55 -2.616 13.458 -7.934 1.00 0.00 C ATOM 851 CZ TYR A 55 -3.520 14.493 -8.159 1.00 0.00 C ATOM 852 OH TYR A 55 -3.076 15.770 -8.341 1.00 0.00 O ATOM 0 H TYR A 55 -4.673 10.455 -4.660 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.891 10.915 -6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.092 9.822 -7.138 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.362 9.988 -8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.407 12.717 -8.070 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.369 11.353 -7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.585 15.023 -8.389 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.556 13.664 -7.906 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.693 16.250 -8.932 1.00 0.00 H new ATOM 862 N THR A 56 -7.814 8.645 -6.338 1.00 0.00 N ATOM 863 CA THR A 56 -8.463 7.317 -6.146 1.00 0.00 C ATOM 864 C THR A 56 -8.169 6.375 -7.357 1.00 0.00 C ATOM 865 O THR A 56 -8.771 6.495 -8.428 1.00 0.00 O ATOM 866 CB THR A 56 -9.999 7.531 -5.940 1.00 0.00 C ATOM 867 OG1 THR A 56 -10.261 8.478 -4.906 1.00 0.00 O ATOM 868 CG2 THR A 56 -10.745 6.262 -5.535 1.00 0.00 C ATOM 0 H THR A 56 -8.450 9.365 -6.680 1.00 0.00 H new ATOM 0 HA THR A 56 -8.053 6.830 -5.261 1.00 0.00 H new ATOM 0 HB THR A 56 -10.350 7.876 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.636 8.334 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.804 6.487 -5.410 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.624 5.505 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.341 5.886 -4.595 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.096 1.767 -4.721 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.412 2.909 -4.076 1.00 0.00 C ATOM 1097 C LYS A 70 -5.343 4.164 -4.096 1.00 0.00 C ATOM 1098 O LYS A 70 -5.260 5.008 -4.997 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.046 3.215 -4.749 1.00 0.00 C ATOM 1100 CG LYS A 70 -1.919 2.250 -4.372 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.514 1.244 -5.456 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.432 1.766 -6.406 1.00 0.00 C ATOM 1103 NZ LYS A 70 0.108 0.632 -7.201 1.00 0.00 N ATOM 0 HA LYS A 70 -4.202 2.641 -3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.177 3.195 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.744 4.228 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.041 2.835 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.222 1.696 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.156 0.332 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.396 0.974 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.848 2.525 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.368 2.242 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.981 0.930 -7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.316 -0.167 -6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.595 0.339 -7.910 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.164 4.322 -3.047 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.642 5.670 -2.616 1.00 0.00 C ATOM 1119 C ASN A 71 -5.687 6.185 -1.491 1.00 0.00 C ATOM 1120 O ASN A 71 -5.981 6.079 -0.297 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.121 5.541 -2.189 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.808 6.867 -1.898 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.292 7.550 -2.793 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.870 7.290 -0.658 1.00 0.00 N ATOM 0 H ASN A 71 -6.515 3.551 -2.479 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.612 6.411 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.671 5.026 -2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.176 4.914 -1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.318 8.181 -0.445 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.470 6.728 0.093 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.529 6.718 -1.900 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.460 7.143 -0.958 1.00 0.00 C ATOM 1133 C PHE A 72 -3.404 8.685 -0.931 1.00 0.00 C ATOM 1134 O PHE A 72 -2.741 9.301 -1.770 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.157 6.448 -1.424 1.00 0.00 C ATOM 1136 CG PHE A 72 -0.987 6.542 -0.432 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -0.955 5.734 0.713 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.095 7.397 -0.679 1.00 0.00 C ATOM 1139 CE1 PHE A 72 0.137 5.767 1.581 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.192 7.426 0.185 1.00 0.00 C ATOM 1141 CZ PHE A 72 1.216 6.602 1.306 1.00 0.00 C ATOM 0 H PHE A 72 -4.298 6.870 -2.882 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.639 6.845 0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.371 5.396 -1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.847 6.886 -2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.786 5.078 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.081 8.040 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.145 5.146 2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.021 8.088 -0.017 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.073 6.610 1.963 1.00 0.00 H new ATOM 1151 N THR A 73 -4.132 9.304 0.016 1.00 0.00 N ATOM 1152 CA THR A 73 -4.239 10.792 0.093 1.00 0.00 C ATOM 1153 C THR A 73 -3.082 11.363 0.951 1.00 0.00 C ATOM 1154 O THR A 73 -3.172 11.448 2.178 1.00 0.00 O ATOM 1155 CB THR A 73 -5.657 11.174 0.586 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.631 10.625 -0.300 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.927 12.673 0.633 1.00 0.00 C ATOM 0 H THR A 73 -4.656 8.810 0.739 1.00 0.00 H new ATOM 0 HA THR A 73 -4.123 11.248 -0.890 1.00 0.00 H new ATOM 0 HB THR A 73 -5.719 10.781 1.601 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.529 10.864 0.012 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.942 12.849 0.989 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.217 13.149 1.309 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.815 13.094 -0.366 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.980 11.715 0.282 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.700 12.079 0.947 1.00 0.00 C ATOM 1167 C VAL A 74 -0.333 13.556 0.676 1.00 0.00 C ATOM 1168 O VAL A 74 -0.336 14.039 -0.459 1.00 0.00 O ATOM 1169 CB VAL A 74 0.410 11.038 0.626 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.735 10.878 -0.857 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.740 11.333 1.355 1.00 0.00 C ATOM 0 H VAL A 74 -1.938 11.759 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.818 12.025 2.029 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.032 10.109 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.520 10.131 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.158 10.557 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.076 11.832 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.476 10.573 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.109 12.314 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.575 11.320 2.432 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.014 14.257 1.763 1.00 0.00 N ATOM 1182 CA PHE A 75 0.109 15.731 1.777 1.00 0.00 C ATOM 1183 C PHE A 75 1.601 16.145 1.686 1.00 0.00 C ATOM 1184 O PHE A 75 2.427 15.722 2.500 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.558 16.245 3.083 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.099 16.157 3.045 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.859 17.196 2.487 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.765 15.019 3.529 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.250 17.098 2.412 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.155 14.925 3.462 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.895 15.964 2.902 1.00 0.00 C ATOM 0 H PHE A 75 0.169 13.825 2.668 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.392 16.175 0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.187 15.665 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.262 17.280 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.364 18.080 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.195 14.208 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.825 17.900 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.657 14.048 3.844 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.971 15.890 2.847 1.00 0.00 H new ATOM 1201 N PHE A 76 1.932 16.966 0.682 1.00 0.00 N ATOM 1202 CA PHE A 76 3.330 17.390 0.412 1.00 0.00 C ATOM 1203 C PHE A 76 3.463 18.938 0.527 1.00 0.00 C ATOM 1204 O PHE A 76 2.562 19.691 0.132 1.00 0.00 O ATOM 1205 CB PHE A 76 3.790 16.946 -1.005 1.00 0.00 C ATOM 1206 CG PHE A 76 3.788 15.432 -1.254 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.627 14.573 -0.525 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.947 14.882 -2.228 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.587 13.197 -0.743 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.945 13.511 -2.476 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.756 12.668 -1.726 1.00 0.00 C ATOM 0 H PHE A 76 1.251 17.358 0.032 1.00 0.00 H new ATOM 0 HA PHE A 76 3.965 16.910 1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.143 17.419 -1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.798 17.324 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.307 14.981 0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.292 15.528 -2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.203 12.539 -0.147 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.313 13.103 -3.251 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.741 11.603 -1.906 1.00 0.00 H new ATOM 1221 N GLU A 77 4.606 19.408 1.044 1.00 0.00 N ATOM 1222 CA GLU A 77 4.860 20.869 1.203 1.00 0.00 C ATOM 1223 C GLU A 77 5.364 21.529 -0.110 1.00 0.00 C ATOM 1224 O GLU A 77 4.619 22.287 -0.739 1.00 0.00 O ATOM 1225 CB GLU A 77 5.707 21.043 2.477 1.00 0.00 C ATOM 1226 CG GLU A 77 5.780 22.488 3.009 1.00 0.00 C ATOM 1227 CD GLU A 77 5.794 22.547 4.525 1.00 0.00 C ATOM 1228 OE1 GLU A 77 4.720 22.378 5.139 1.00 0.00 O ATOM 1229 OE2 GLU A 77 6.867 22.731 5.132 1.00 0.00 O ATOM 0 H GLU A 77 5.372 18.813 1.361 1.00 0.00 H new ATOM 0 HA GLU A 77 3.947 21.442 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.299 20.403 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.719 20.693 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.677 22.970 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.927 23.054 2.634 1.00 0.00 H new ATOM 1236 N ASN A 78 6.589 21.183 -0.519 1.00 0.00 N ATOM 1237 CA ASN A 78 7.035 21.256 -1.940 1.00 0.00 C ATOM 1238 C ASN A 78 7.824 19.946 -2.276 1.00 0.00 C ATOM 1239 O ASN A 78 7.402 19.188 -3.147 1.00 0.00 O ATOM 1240 CB ASN A 78 7.806 22.568 -2.190 1.00 0.00 C ATOM 1241 CG ASN A 78 8.281 22.790 -3.624 1.00 0.00 C ATOM 1242 OD1 ASN A 78 7.806 22.196 -4.588 1.00 0.00 O ATOM 1243 ND2 ASN A 78 9.238 23.662 -3.811 1.00 0.00 N ATOM 0 H ASN A 78 7.310 20.842 0.116 1.00 0.00 H new ATOM 0 HA ASN A 78 6.192 21.298 -2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.168 23.404 -1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.674 22.590 -1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.585 23.845 -4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.637 24.159 -3.015 1.00 0.00 H new ATOM 1250 N GLU A 79 8.930 19.661 -1.575 1.00 0.00 N ATOM 1251 CA GLU A 79 9.486 18.287 -1.489 1.00 0.00 C ATOM 1252 C GLU A 79 8.878 17.433 -0.324 1.00 0.00 C ATOM 1253 O GLU A 79 8.503 16.282 -0.565 1.00 0.00 O ATOM 1254 CB GLU A 79 11.033 18.352 -1.379 1.00 0.00 C ATOM 1255 CG GLU A 79 11.788 18.528 -2.710 1.00 0.00 C ATOM 1256 CD GLU A 79 11.683 17.350 -3.665 1.00 0.00 C ATOM 1257 OE1 GLU A 79 12.063 16.218 -3.293 1.00 0.00 O ATOM 1258 OE2 GLU A 79 11.190 17.553 -4.794 1.00 0.00 O ATOM 0 H GLU A 79 9.464 20.358 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 79 9.202 17.774 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.298 19.178 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.384 17.438 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.409 19.419 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.841 18.708 -2.493 1.00 0.00 H new ATOM 1265 N GLN A 80 8.825 17.951 0.917 1.00 0.00 N ATOM 1266 CA GLN A 80 8.729 17.103 2.127 1.00 0.00 C ATOM 1267 C GLN A 80 7.319 16.531 2.413 1.00 0.00 C ATOM 1268 O GLN A 80 6.298 17.203 2.226 1.00 0.00 O ATOM 1269 CB GLN A 80 9.364 17.807 3.352 1.00 0.00 C ATOM 1270 CG GLN A 80 8.681 19.073 3.906 1.00 0.00 C ATOM 1271 CD GLN A 80 9.306 19.603 5.199 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.173 19.007 5.831 1.00 0.00 O ATOM 1273 NE2 GLN A 80 8.892 20.753 5.667 1.00 0.00 N ATOM 0 H GLN A 80 8.847 18.952 1.112 1.00 0.00 H new ATOM 0 HA GLN A 80 9.319 16.212 1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.420 17.079 4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.388 18.071 3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.720 19.856 3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.628 18.856 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.173 21.277 5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.289 21.125 6.530 1.00 0.00 H new ATOM 1282 N VAL A 81 7.289 15.277 2.887 1.00 0.00 N ATOM 1283 CA VAL A 81 6.024 14.549 3.154 1.00 0.00 C ATOM 1284 C VAL A 81 5.490 14.914 4.578 1.00 0.00 C ATOM 1285 O VAL A 81 6.207 14.774 5.574 1.00 0.00 O ATOM 1286 CB VAL A 81 6.181 12.990 3.031 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.796 12.332 2.858 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.113 12.484 1.916 1.00 0.00 C ATOM 0 H VAL A 81 8.128 14.737 3.097 1.00 0.00 H new ATOM 0 HA VAL A 81 5.310 14.862 2.392 1.00 0.00 H new ATOM 0 HB VAL A 81 6.663 12.699 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.914 11.252 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.173 12.562 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.321 12.717 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.140 11.394 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.742 12.825 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.118 12.874 2.077 1.00 0.00 H new ATOM 1298 N VAL A 82 4.224 15.338 4.655 1.00 0.00 N ATOM 1299 CA VAL A 82 3.554 15.651 5.951 1.00 0.00 C ATOM 1300 C VAL A 82 2.958 14.327 6.528 1.00 0.00 C ATOM 1301 O VAL A 82 3.564 13.750 7.432 1.00 0.00 O ATOM 1302 CB VAL A 82 2.551 16.835 5.764 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.779 17.169 7.053 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.244 18.137 5.287 1.00 0.00 C ATOM 0 H VAL A 82 3.629 15.477 3.839 1.00 0.00 H new ATOM 0 HA VAL A 82 4.253 16.016 6.704 1.00 0.00 H new ATOM 0 HB VAL A 82 1.859 16.482 4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.097 17.998 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.209 16.296 7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.483 17.449 7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.500 18.925 5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.988 18.443 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.732 17.959 4.329 1.00 0.00 H new ATOM 1314 N ARG A 83 1.820 13.839 5.995 1.00 0.00 N ATOM 1315 CA ARG A 83 1.312 12.474 6.299 1.00 0.00 C ATOM 1316 C ARG A 83 0.331 11.942 5.197 1.00 0.00 C ATOM 1317 O ARG A 83 0.015 12.622 4.216 1.00 0.00 O ATOM 1318 CB ARG A 83 0.808 12.309 7.755 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.550 12.927 8.118 1.00 0.00 C ATOM 1320 CD ARG A 83 -1.359 12.012 9.055 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.194 11.070 8.273 1.00 0.00 N ATOM 1322 CZ ARG A 83 -2.446 9.812 8.608 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -1.656 9.059 9.323 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.546 9.276 8.201 1.00 0.00 N ATOM 0 H ARG A 83 1.230 14.366 5.351 1.00 0.00 H new ATOM 0 HA ARG A 83 2.173 11.807 6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.759 11.242 7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.559 12.737 8.420 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.394 13.893 8.598 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.121 13.112 7.208 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.681 11.455 9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.993 12.616 9.703 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.608 11.417 7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.771 9.431 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.924 8.098 9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.199 9.818 7.635 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.763 8.310 8.445 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.082 10.683 5.372 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.702 9.851 4.321 1.00 0.00 C ATOM 1340 C TRP A 84 -1.983 9.126 4.816 1.00 0.00 C ATOM 1341 O TRP A 84 -1.927 8.275 5.710 1.00 0.00 O ATOM 1342 CB TRP A 84 0.312 8.844 3.728 1.00 0.00 C ATOM 1343 CG TRP A 84 1.235 8.047 4.691 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.943 6.830 5.355 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.526 8.383 5.106 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.992 6.433 6.196 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.962 7.397 6.024 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.390 9.473 4.764 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.259 7.492 6.612 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.649 9.542 5.350 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.078 8.564 6.266 1.00 0.00 C ATOM 0 H TRP A 84 0.005 10.198 6.265 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.009 10.531 3.527 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.250 8.121 3.137 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.953 9.391 3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.025 6.276 5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.029 5.613 6.801 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.069 10.229 4.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.600 6.745 7.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.308 10.359 5.098 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.060 8.646 6.709 1.00 0.00 H new ATOM 1362 N GLU A 85 -3.118 9.420 4.173 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.414 8.763 4.478 1.00 0.00 C ATOM 1364 C GLU A 85 -4.597 7.566 3.480 1.00 0.00 C ATOM 1365 O GLU A 85 -5.047 7.745 2.341 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.623 9.736 4.460 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.432 11.203 4.895 1.00 0.00 C ATOM 1368 CD GLU A 85 -4.860 11.466 6.268 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -5.379 10.916 7.258 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -3.848 12.187 6.392 1.00 0.00 O ATOM 0 H GLU A 85 -3.175 10.115 3.429 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.387 8.394 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.017 9.747 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.396 9.306 5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.783 11.686 4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.402 11.698 4.837 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.149 6.368 3.891 1.00 0.00 N ATOM 1378 CA GLY A 86 -3.940 5.243 2.950 1.00 0.00 C ATOM 1379 C GLY A 86 -5.004 4.148 2.944 1.00 0.00 C ATOM 1380 O GLY A 86 -4.827 3.126 3.609 1.00 0.00 O ATOM 0 H GLY A 86 -3.924 6.149 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.866 5.652 1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.979 4.782 3.178 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.051 4.320 2.129 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.043 3.240 1.850 1.00 0.00 C ATOM 1386 C ASP A 87 -6.637 2.486 0.547 1.00 0.00 C ATOM 1387 O ASP A 87 -6.956 2.865 -0.582 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.475 3.820 1.819 1.00 0.00 C ATOM 1389 CG ASP A 87 -9.007 4.072 3.230 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -9.271 3.085 3.951 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -9.033 5.229 3.690 1.00 0.00 O ATOM 0 H ASP A 87 -6.246 5.195 1.643 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.041 2.502 2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.479 4.753 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.137 3.129 1.297 1.00 0.00 H new ATOM 1396 N TYR A 88 -5.836 1.435 0.750 1.00 0.00 N ATOM 1397 CA TYR A 88 -4.916 0.914 -0.294 1.00 0.00 C ATOM 1398 C TYR A 88 -4.743 -0.637 -0.258 1.00 0.00 C ATOM 1399 O TYR A 88 -3.636 -1.144 -0.068 1.00 0.00 O ATOM 1400 CB TYR A 88 -3.569 1.692 -0.213 1.00 0.00 C ATOM 1401 CG TYR A 88 -2.677 1.602 1.049 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -3.042 0.950 2.249 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -1.441 2.251 1.010 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -2.230 1.016 3.376 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -0.609 2.288 2.134 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.020 1.691 3.322 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.258 1.773 4.444 1.00 0.00 O ATOM 0 H TYR A 88 -5.799 0.919 1.629 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.364 1.094 -1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.961 1.369 -1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.798 2.746 -0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.966 0.392 2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.122 2.732 0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.542 0.541 4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.351 2.779 2.080 1.00 0.00 H new ATOM 0 HH TYR A 88 0.332 0.993 4.496 1.00 0.00 H new ATOM 1667 N GLY A 105 -3.854 7.318 12.713 1.00 0.00 N ATOM 1668 CA GLY A 105 -2.630 8.142 12.826 1.00 0.00 C ATOM 1669 C GLY A 105 -2.922 9.646 12.877 1.00 0.00 C ATOM 1670 O GLY A 105 -2.895 10.323 11.846 1.00 0.00 O ATOM 0 HA2 GLY A 105 -2.086 7.853 13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.978 7.933 11.978 1.00 0.00 H new ATOM 1674 N ARG A 106 -3.188 10.178 14.078 1.00 0.00 N ATOM 1675 CA ARG A 106 -3.524 11.621 14.256 1.00 0.00 C ATOM 1676 C ARG A 106 -2.265 12.538 14.326 1.00 0.00 C ATOM 1677 O ARG A 106 -1.926 13.109 15.368 1.00 0.00 O ATOM 1678 CB ARG A 106 -4.498 11.709 15.460 1.00 0.00 C ATOM 1679 CG ARG A 106 -5.016 13.127 15.809 1.00 0.00 C ATOM 1680 CD ARG A 106 -4.520 13.613 17.184 1.00 0.00 C ATOM 1681 NE ARG A 106 -4.664 15.085 17.336 1.00 0.00 N ATOM 1682 CZ ARG A 106 -3.709 15.981 17.081 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -2.533 15.682 16.594 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -3.949 17.238 17.312 1.00 0.00 N ATOM 0 H ARG A 106 -3.180 9.643 14.946 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.030 12.024 13.379 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.357 11.070 15.255 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.998 11.300 16.338 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.692 13.828 15.040 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.106 13.125 15.799 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.082 13.110 17.971 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.474 13.335 17.312 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.564 15.438 17.661 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.299 14.711 16.385 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.849 16.419 16.423 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.855 17.525 17.682 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.231 17.937 17.123 1.00 0.00 H new ATOM 1698 N ASN A 107 -1.642 12.757 13.154 1.00 0.00 N ATOM 1699 CA ASN A 107 -0.623 13.820 12.972 1.00 0.00 C ATOM 1700 C ASN A 107 -1.357 15.139 12.579 1.00 0.00 C ATOM 1701 O ASN A 107 -1.910 15.269 11.481 1.00 0.00 O ATOM 1702 CB ASN A 107 0.416 13.393 11.914 1.00 0.00 C ATOM 1703 CG ASN A 107 1.746 14.134 12.017 1.00 0.00 C ATOM 1704 OD1 ASN A 107 2.617 13.753 12.790 1.00 0.00 O ATOM 1705 ND2 ASN A 107 1.973 15.189 11.274 1.00 0.00 N ATOM 0 H ASN A 107 -1.824 12.212 12.312 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.073 13.988 13.898 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.599 12.323 12.011 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.003 13.556 10.921 1.00 0.00 H new ATOM 0 HD21 ASN A 107 2.864 15.680 11.344 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.258 15.519 10.625 1.00 0.00 H new ATOM 1712 N LEU A 108 -1.393 16.055 13.543 1.00 0.00 N ATOM 1713 CA LEU A 108 -1.844 17.457 13.340 1.00 0.00 C ATOM 1714 C LEU A 108 -1.124 18.297 14.434 1.00 0.00 C ATOM 1715 O LEU A 108 -1.536 18.302 15.603 1.00 0.00 O ATOM 1716 CB LEU A 108 -3.385 17.543 13.347 1.00 0.00 C ATOM 1717 CG LEU A 108 -4.065 18.883 12.998 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -4.110 19.875 14.163 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -3.491 19.565 11.754 1.00 0.00 C ATOM 0 H LEU A 108 -1.110 15.857 14.503 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.575 17.859 12.363 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.759 16.794 12.649 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.725 17.251 14.340 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.090 18.590 12.771 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.602 20.793 13.841 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.665 19.437 14.992 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.094 20.103 14.486 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.021 20.500 11.575 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.432 19.772 11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.611 18.909 10.892 1.00 0.00 H new ATOM 1731 N ALA A 109 -0.008 18.923 14.043 1.00 0.00 N ATOM 1732 CA ALA A 109 0.897 19.659 14.958 1.00 0.00 C ATOM 1733 C ALA A 109 1.630 20.814 14.198 1.00 0.00 C ATOM 1734 O ALA A 109 1.383 21.982 14.503 1.00 0.00 O ATOM 1735 CB ALA A 109 1.861 18.645 15.593 1.00 0.00 C ATOM 0 H ALA A 109 0.303 18.938 13.072 1.00 0.00 H new ATOM 0 HA ALA A 109 0.335 20.143 15.756 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.539 19.163 16.272 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.291 17.900 16.148 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.438 18.152 14.810 1.00 0.00 H new ATOM 1741 N ARG A 110 2.494 20.492 13.215 1.00 0.00 N ATOM 1742 CA ARG A 110 2.993 21.485 12.220 1.00 0.00 C ATOM 1743 C ARG A 110 2.747 20.862 10.815 1.00 0.00 C ATOM 1744 O ARG A 110 3.603 20.154 10.270 1.00 0.00 O ATOM 1745 CB ARG A 110 4.471 21.820 12.545 1.00 0.00 C ATOM 1746 CG ARG A 110 5.076 23.002 11.751 1.00 0.00 C ATOM 1747 CD ARG A 110 6.199 22.667 10.745 1.00 0.00 C ATOM 1748 NE ARG A 110 5.673 21.823 9.651 1.00 0.00 N ATOM 1749 CZ ARG A 110 5.749 22.063 8.351 1.00 0.00 C ATOM 1750 NH1 ARG A 110 6.564 22.924 7.802 1.00 0.00 N ATOM 1751 NH2 ARG A 110 4.959 21.386 7.575 1.00 0.00 N ATOM 0 H ARG A 110 2.866 19.552 13.082 1.00 0.00 H new ATOM 0 HA ARG A 110 2.473 22.443 12.249 1.00 0.00 H new ATOM 0 HB2 ARG A 110 4.549 22.042 13.609 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.076 20.933 12.359 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.269 23.494 11.207 1.00 0.00 H new ATOM 0 HG3 ARG A 110 5.466 23.726 12.466 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.616 23.587 10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 110 7.011 22.149 11.255 1.00 0.00 H new ATOM 0 HE ARG A 110 5.200 20.963 9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 110 7.201 23.467 8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.564 23.053 6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.315 20.703 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.982 21.537 6.567 1.00 0.00 H new ATOM 1765 N ASP A 111 1.557 21.105 10.251 1.00 0.00 N ATOM 1766 CA ASP A 111 1.038 20.307 9.118 1.00 0.00 C ATOM 1767 C ASP A 111 0.460 21.221 7.982 1.00 0.00 C ATOM 1768 O ASP A 111 -0.175 22.251 8.222 1.00 0.00 O ATOM 1769 CB ASP A 111 -0.074 19.347 9.608 1.00 0.00 C ATOM 1770 CG ASP A 111 0.382 18.123 10.393 1.00 0.00 C ATOM 1771 OD1 ASP A 111 0.880 18.272 11.531 1.00 0.00 O ATOM 1772 OD2 ASP A 111 0.202 16.987 9.900 1.00 0.00 O ATOM 0 H ASP A 111 0.929 21.848 10.557 1.00 0.00 H new ATOM 0 HA ASP A 111 1.874 19.737 8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.764 19.915 10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.637 19.005 8.739 1.00 0.00 H new ATOM 1777 N LYS A 112 0.616 20.739 6.741 1.00 0.00 N ATOM 1778 CA LYS A 112 -0.156 21.253 5.567 1.00 0.00 C ATOM 1779 C LYS A 112 -1.298 20.244 5.196 1.00 0.00 C ATOM 1780 O LYS A 112 -1.299 19.601 4.145 1.00 0.00 O ATOM 1781 CB LYS A 112 0.878 21.510 4.451 1.00 0.00 C ATOM 1782 CG LYS A 112 0.371 22.369 3.270 1.00 0.00 C ATOM 1783 CD LYS A 112 1.522 22.566 2.263 1.00 0.00 C ATOM 1784 CE LYS A 112 1.180 23.501 1.101 1.00 0.00 C ATOM 1785 NZ LYS A 112 2.425 23.808 0.339 1.00 0.00 N ATOM 0 H LYS A 112 1.269 19.991 6.509 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.678 22.189 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 112 1.748 22.000 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.216 20.549 4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.474 21.881 2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.017 23.335 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.389 22.962 2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.810 21.594 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.444 23.034 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.733 24.421 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.197 24.430 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.106 24.285 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.841 22.924 -0.016 1.00 0.00 H new