USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 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 180:sc= 0 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.637 K(o=-0.64,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.707 K(o=0.71,f=-5.9!) USER MOD Single : A 21 ASN : amide:sc= 0.656 K(o=0.66,f=0) USER MOD Single : A 25 GLN : amide:sc=0.000991 X(o=0.00099,f=-0.0097) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc=-0.000931 X(o=-0.00093,f=0.023) USER MOD Single : A 31 SER OG : rot -89:sc= 0.82 USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 2.18 (180deg=2.06) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 36 SER OG : rot 70:sc= 0.684 USER MOD Single : A 41 THR OG1 : rot -12:sc= 0.504 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.272 K(o=0.27,f=-2.2!) USER MOD Single : A 55 TYR OH : rot -179:sc= 1.21 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -131:sc= 1.04 USER MOD Single : A 78 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0087) USER MOD Single : A 80 GLN : amide:sc= 1.42 K(o=1.4,f=-7.7!) USER MOD Single : A 88 TYR OH : rot -62:sc= 0.102 USER MOD Single : A 107 ASN : amide:sc= 1.19 K(o=1.2,f=-0.075) USER MOD Single : A 112 LYS NZ :NH3+ 158:sc= 0.626 (180deg=0.0477) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 5.082 -0.994 -1.972 1.00 0.00 N ATOM 265 CA ILE A 18 3.742 -0.579 -1.437 1.00 0.00 C ATOM 266 C ILE A 18 3.219 -1.643 -0.419 1.00 0.00 C ATOM 267 O ILE A 18 2.944 -2.787 -0.790 1.00 0.00 O ATOM 268 CB ILE A 18 2.820 -0.282 -2.676 1.00 0.00 C ATOM 269 CG1 ILE A 18 3.045 1.157 -3.235 1.00 0.00 C ATOM 270 CG2 ILE A 18 1.319 -0.558 -2.502 1.00 0.00 C ATOM 271 CD1 ILE A 18 2.440 2.324 -2.454 1.00 0.00 C ATOM 0 HA ILE A 18 3.776 0.338 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 18 3.150 -1.024 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.120 1.324 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.647 1.189 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.795 -0.313 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.168 -1.612 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.928 0.055 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.676 3.261 -2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.358 2.204 -2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.854 2.341 -1.446 1.00 0.00 H new ATOM 283 N LYS A 19 3.107 -1.267 0.870 1.00 0.00 N ATOM 284 CA LYS A 19 2.764 -2.222 1.962 1.00 0.00 C ATOM 285 C LYS A 19 2.211 -1.454 3.201 1.00 0.00 C ATOM 286 O LYS A 19 2.961 -0.751 3.887 1.00 0.00 O ATOM 287 CB LYS A 19 4.031 -3.036 2.317 1.00 0.00 C ATOM 288 CG LYS A 19 3.853 -4.192 3.307 1.00 0.00 C ATOM 289 CD LYS A 19 3.550 -5.569 2.700 1.00 0.00 C ATOM 290 CE LYS A 19 2.185 -5.716 2.016 1.00 0.00 C ATOM 291 NZ LYS A 19 1.956 -7.154 1.709 1.00 0.00 N ATOM 0 H LYS A 19 3.248 -0.308 1.189 1.00 0.00 H new ATOM 0 HA LYS A 19 1.982 -2.906 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.445 -3.440 1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.773 -2.350 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.761 -4.274 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.044 -3.935 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.326 -5.802 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.621 -6.316 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.395 -5.338 2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.156 -5.125 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.032 -7.267 1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.706 -7.498 1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.969 -7.704 2.592 1.00 0.00 H new ATOM 305 N GLN A 20 0.926 -1.630 3.532 1.00 0.00 N ATOM 306 CA GLN A 20 0.260 -0.863 4.633 1.00 0.00 C ATOM 307 C GLN A 20 0.459 -1.467 6.062 1.00 0.00 C ATOM 308 O GLN A 20 -0.490 -1.801 6.771 1.00 0.00 O ATOM 309 CB GLN A 20 -1.200 -0.686 4.158 1.00 0.00 C ATOM 310 CG GLN A 20 -2.079 0.274 4.984 1.00 0.00 C ATOM 311 CD GLN A 20 -3.372 0.695 4.275 1.00 0.00 C ATOM 312 OE1 GLN A 20 -3.651 0.376 3.121 1.00 0.00 O ATOM 313 NE2 GLN A 20 -4.184 1.484 4.933 1.00 0.00 N ATOM 0 H GLN A 20 0.312 -2.295 3.062 1.00 0.00 H new ATOM 0 HA GLN A 20 0.723 0.111 4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.183 -0.332 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.678 -1.666 4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.334 -0.204 5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.500 1.166 5.224 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.965 1.757 5.891 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.035 1.826 4.487 1.00 0.00 H new ATOM 322 N ASN A 21 1.733 -1.537 6.478 1.00 0.00 N ATOM 323 CA ASN A 21 2.150 -1.701 7.902 1.00 0.00 C ATOM 324 C ASN A 21 3.601 -1.150 8.121 1.00 0.00 C ATOM 325 O ASN A 21 3.800 -0.314 9.002 1.00 0.00 O ATOM 326 CB ASN A 21 1.947 -3.134 8.422 1.00 0.00 C ATOM 327 CG ASN A 21 2.114 -3.356 9.921 1.00 0.00 C ATOM 328 OD1 ASN A 21 2.889 -4.205 10.349 1.00 0.00 O ATOM 329 ND2 ASN A 21 1.399 -2.665 10.780 1.00 0.00 N ATOM 0 H ASN A 21 2.523 -1.482 5.835 1.00 0.00 H new ATOM 0 HA ASN A 21 1.486 -1.094 8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.945 -3.458 8.141 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.650 -3.786 7.903 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.495 -2.840 11.780 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.748 -1.954 10.446 1.00 0.00 H new ATOM 336 N ALA A 22 4.601 -1.556 7.314 1.00 0.00 N ATOM 337 CA ALA A 22 5.909 -0.853 7.266 1.00 0.00 C ATOM 338 C ALA A 22 5.903 0.576 6.636 1.00 0.00 C ATOM 339 O ALA A 22 6.611 1.445 7.147 1.00 0.00 O ATOM 340 CB ALA A 22 6.906 -1.757 6.549 1.00 0.00 C ATOM 0 H ALA A 22 4.534 -2.360 6.689 1.00 0.00 H new ATOM 0 HA ALA A 22 6.193 -0.667 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.876 -1.262 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.004 -2.696 7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.552 -1.960 5.538 1.00 0.00 H new ATOM 346 N VAL A 23 5.095 0.841 5.593 1.00 0.00 N ATOM 347 CA VAL A 23 4.804 2.235 5.136 1.00 0.00 C ATOM 348 C VAL A 23 3.987 3.075 6.183 1.00 0.00 C ATOM 349 O VAL A 23 4.332 4.228 6.423 1.00 0.00 O ATOM 350 CB VAL A 23 4.143 2.255 3.726 1.00 0.00 C ATOM 351 CG1 VAL A 23 3.930 3.692 3.186 1.00 0.00 C ATOM 352 CG2 VAL A 23 4.956 1.487 2.660 1.00 0.00 C ATOM 0 H VAL A 23 4.628 0.119 5.045 1.00 0.00 H new ATOM 0 HA VAL A 23 5.771 2.731 5.050 1.00 0.00 H new ATOM 0 HB VAL A 23 3.183 1.763 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.466 3.645 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.282 4.244 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.892 4.199 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.440 1.540 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.945 1.934 2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.057 0.444 2.961 1.00 0.00 H new ATOM 362 N GLU A 24 2.956 2.512 6.823 1.00 0.00 N ATOM 363 CA GLU A 24 2.380 3.074 8.093 1.00 0.00 C ATOM 364 C GLU A 24 3.419 3.435 9.213 1.00 0.00 C ATOM 365 O GLU A 24 3.344 4.524 9.784 1.00 0.00 O ATOM 366 CB GLU A 24 1.326 2.025 8.496 1.00 0.00 C ATOM 367 CG GLU A 24 0.532 2.223 9.793 1.00 0.00 C ATOM 368 CD GLU A 24 -0.348 1.004 10.087 1.00 0.00 C ATOM 369 OE1 GLU A 24 0.199 -0.075 10.415 1.00 0.00 O ATOM 370 OE2 GLU A 24 -1.585 1.123 9.984 1.00 0.00 O ATOM 0 H GLU A 24 2.489 1.666 6.498 1.00 0.00 H new ATOM 0 HA GLU A 24 1.948 4.062 7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.608 1.951 7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.831 1.062 8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.219 2.389 10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.090 3.114 9.711 1.00 0.00 H new ATOM 377 N GLN A 25 4.403 2.559 9.471 1.00 0.00 N ATOM 378 CA GLN A 25 5.495 2.817 10.442 1.00 0.00 C ATOM 379 C GLN A 25 6.650 3.779 9.999 1.00 0.00 C ATOM 380 O GLN A 25 7.257 4.377 10.897 1.00 0.00 O ATOM 381 CB GLN A 25 6.027 1.422 10.869 1.00 0.00 C ATOM 382 CG GLN A 25 7.020 1.370 12.045 1.00 0.00 C ATOM 383 CD GLN A 25 6.466 1.722 13.416 1.00 0.00 C ATOM 384 OE1 GLN A 25 6.128 0.860 14.218 1.00 0.00 O ATOM 385 NE2 GLN A 25 6.398 2.985 13.766 1.00 0.00 N ATOM 0 H GLN A 25 4.470 1.649 9.015 1.00 0.00 H new ATOM 0 HA GLN A 25 5.067 3.388 11.266 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.170 0.799 11.124 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.507 0.965 10.003 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.439 0.365 12.094 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.845 2.048 11.826 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.677 3.712 13.107 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.067 3.239 14.697 1.00 0.00 H new ATOM 394 N LEU A 26 6.981 3.912 8.693 1.00 0.00 N ATOM 395 CA LEU A 26 8.188 4.666 8.231 1.00 0.00 C ATOM 396 C LEU A 26 8.393 6.149 8.640 1.00 0.00 C ATOM 397 O LEU A 26 9.545 6.572 8.733 1.00 0.00 O ATOM 398 CB LEU A 26 8.520 4.400 6.740 1.00 0.00 C ATOM 399 CG LEU A 26 7.571 4.854 5.627 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.536 6.351 5.328 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.952 4.131 4.313 1.00 0.00 C ATOM 0 H LEU A 26 6.433 3.509 7.933 1.00 0.00 H new ATOM 0 HA LEU A 26 8.943 4.207 8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.488 4.860 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.650 3.323 6.629 1.00 0.00 H new ATOM 0 HG LEU A 26 6.580 4.599 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.828 6.545 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.227 6.893 6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.529 6.685 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.281 4.449 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.979 4.381 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.865 3.053 4.452 1.00 0.00 H new ATOM 413 N GLN A 27 7.318 6.920 8.884 1.00 0.00 N ATOM 414 CA GLN A 27 7.394 8.287 9.498 1.00 0.00 C ATOM 415 C GLN A 27 8.429 9.298 8.890 1.00 0.00 C ATOM 416 O GLN A 27 9.183 9.961 9.605 1.00 0.00 O ATOM 417 CB GLN A 27 7.479 8.066 11.027 1.00 0.00 C ATOM 418 CG GLN A 27 7.114 9.280 11.899 1.00 0.00 C ATOM 419 CD GLN A 27 7.175 8.965 13.389 1.00 0.00 C ATOM 420 OE1 GLN A 27 6.168 8.800 14.068 1.00 0.00 O ATOM 421 NE2 GLN A 27 8.357 8.841 13.941 1.00 0.00 N ATOM 0 H GLN A 27 6.366 6.626 8.666 1.00 0.00 H new ATOM 0 HA GLN A 27 6.493 8.843 9.238 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.820 7.240 11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.494 7.756 11.275 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.795 10.102 11.676 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.110 9.619 11.643 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.198 8.977 13.381 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.436 8.608 14.931 1.00 0.00 H new ATOM 430 N VAL A 28 8.427 9.413 7.556 1.00 0.00 N ATOM 431 CA VAL A 28 9.353 10.307 6.800 1.00 0.00 C ATOM 432 C VAL A 28 8.684 11.702 6.566 1.00 0.00 C ATOM 433 O VAL A 28 7.466 11.832 6.413 1.00 0.00 O ATOM 434 CB VAL A 28 9.801 9.585 5.481 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.570 10.476 4.487 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.716 8.367 5.776 1.00 0.00 C ATOM 0 H VAL A 28 7.786 8.893 6.956 1.00 0.00 H new ATOM 0 HA VAL A 28 10.258 10.506 7.374 1.00 0.00 H new ATOM 0 HB VAL A 28 8.856 9.287 5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.838 9.892 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.941 11.315 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.476 10.853 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.005 7.893 4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.609 8.702 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.177 7.649 6.394 1.00 0.00 H new ATOM 446 N GLY A 29 9.543 12.727 6.503 1.00 0.00 N ATOM 447 CA GLY A 29 9.127 14.104 6.152 1.00 0.00 C ATOM 448 C GLY A 29 10.212 14.893 5.407 1.00 0.00 C ATOM 449 O GLY A 29 10.704 15.894 5.929 1.00 0.00 O ATOM 0 H GLY A 29 10.541 12.634 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.231 14.059 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.859 14.639 7.063 1.00 0.00 H new ATOM 453 N GLN A 30 10.578 14.439 4.195 1.00 0.00 N ATOM 454 CA GLN A 30 11.765 14.966 3.467 1.00 0.00 C ATOM 455 C GLN A 30 11.433 15.424 2.022 1.00 0.00 C ATOM 456 O GLN A 30 11.563 16.618 1.739 1.00 0.00 O ATOM 457 CB GLN A 30 12.890 13.901 3.589 1.00 0.00 C ATOM 458 CG GLN A 30 14.236 14.220 2.908 1.00 0.00 C ATOM 459 CD GLN A 30 14.901 15.516 3.329 1.00 0.00 C ATOM 460 OE1 GLN A 30 14.572 16.590 2.838 1.00 0.00 O ATOM 461 NE2 GLN A 30 15.827 15.498 4.254 1.00 0.00 N ATOM 0 H GLN A 30 10.074 13.708 3.692 1.00 0.00 H new ATOM 0 HA GLN A 30 12.122 15.891 3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.079 13.729 4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.515 12.964 3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.925 13.399 3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.078 14.249 1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.112 14.613 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.263 16.369 4.556 1.00 0.00 H new ATOM 470 N SER A 31 11.046 14.503 1.119 1.00 0.00 N ATOM 471 CA SER A 31 10.993 14.795 -0.337 1.00 0.00 C ATOM 472 C SER A 31 9.948 13.899 -1.080 1.00 0.00 C ATOM 473 O SER A 31 9.950 12.667 -0.967 1.00 0.00 O ATOM 474 CB SER A 31 12.390 14.573 -0.986 1.00 0.00 C ATOM 475 OG SER A 31 13.333 15.568 -0.588 1.00 0.00 O ATOM 0 H SER A 31 10.766 13.554 1.365 1.00 0.00 H new ATOM 0 HA SER A 31 10.690 15.837 -0.437 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.765 13.588 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.290 14.583 -2.071 1.00 0.00 H new ATOM 0 HG SER A 31 13.294 16.324 -1.211 1.00 0.00 H new ATOM 481 N LYS A 32 9.120 14.549 -1.907 1.00 0.00 N ATOM 482 CA LYS A 32 8.061 13.889 -2.718 1.00 0.00 C ATOM 483 C LYS A 32 8.517 12.872 -3.791 1.00 0.00 C ATOM 484 O LYS A 32 7.980 11.764 -3.853 1.00 0.00 O ATOM 485 CB LYS A 32 7.092 14.970 -3.257 1.00 0.00 C ATOM 486 CG LYS A 32 7.617 16.042 -4.228 1.00 0.00 C ATOM 487 CD LYS A 32 6.584 17.186 -4.364 1.00 0.00 C ATOM 488 CE LYS A 32 7.160 18.403 -5.105 1.00 0.00 C ATOM 489 NZ LYS A 32 6.302 19.591 -4.843 1.00 0.00 N ATOM 0 H LYS A 32 9.158 15.559 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 32 7.537 13.222 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.270 14.454 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.669 15.488 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.565 16.439 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.809 15.597 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.707 16.820 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.250 17.491 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.180 18.596 -4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.206 18.203 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.575 20.364 -5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.305 19.342 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.426 19.898 -3.857 1.00 0.00 H new ATOM 503 N GLN A 33 9.529 13.234 -4.590 1.00 0.00 N ATOM 504 CA GLN A 33 10.210 12.282 -5.503 1.00 0.00 C ATOM 505 C GLN A 33 11.014 11.120 -4.847 1.00 0.00 C ATOM 506 O GLN A 33 11.046 10.037 -5.429 1.00 0.00 O ATOM 507 CB GLN A 33 11.026 13.064 -6.560 1.00 0.00 C ATOM 508 CG GLN A 33 12.259 13.841 -6.053 1.00 0.00 C ATOM 509 CD GLN A 33 12.929 14.662 -7.148 1.00 0.00 C ATOM 510 OE1 GLN A 33 12.527 15.779 -7.452 1.00 0.00 O ATOM 511 NE2 GLN A 33 13.964 14.155 -7.774 1.00 0.00 N ATOM 0 H GLN A 33 9.902 14.183 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 33 9.405 11.730 -5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.359 12.359 -7.322 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.357 13.771 -7.050 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.957 14.503 -5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.981 13.138 -5.639 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.305 13.226 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.428 14.690 -8.508 1.00 0.00 H new ATOM 520 N GLN A 34 11.611 11.308 -3.657 1.00 0.00 N ATOM 521 CA GLN A 34 12.252 10.200 -2.901 1.00 0.00 C ATOM 522 C GLN A 34 11.240 9.142 -2.361 1.00 0.00 C ATOM 523 O GLN A 34 11.415 7.958 -2.655 1.00 0.00 O ATOM 524 CB GLN A 34 13.128 10.755 -1.751 1.00 0.00 C ATOM 525 CG GLN A 34 14.346 11.604 -2.171 1.00 0.00 C ATOM 526 CD GLN A 34 15.464 10.876 -2.905 1.00 0.00 C ATOM 527 OE1 GLN A 34 15.551 9.654 -2.971 1.00 0.00 O ATOM 528 NE2 GLN A 34 16.384 11.610 -3.480 1.00 0.00 N ATOM 0 H GLN A 34 11.667 12.214 -3.192 1.00 0.00 H new ATOM 0 HA GLN A 34 12.886 9.675 -3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.496 11.360 -1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.485 9.914 -1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.993 12.415 -2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.767 12.061 -1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.327 12.627 -3.435 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.158 11.164 -3.973 1.00 0.00 H new ATOM 537 N VAL A 35 10.175 9.543 -1.637 1.00 0.00 N ATOM 538 CA VAL A 35 9.102 8.593 -1.215 1.00 0.00 C ATOM 539 C VAL A 35 8.321 7.917 -2.382 1.00 0.00 C ATOM 540 O VAL A 35 8.104 6.706 -2.315 1.00 0.00 O ATOM 541 CB VAL A 35 8.224 9.243 -0.103 1.00 0.00 C ATOM 542 CG1 VAL A 35 7.204 10.279 -0.596 1.00 0.00 C ATOM 543 CG2 VAL A 35 7.479 8.185 0.736 1.00 0.00 C ATOM 0 H VAL A 35 10.027 10.505 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 35 9.587 7.725 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 35 8.952 9.777 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.644 10.671 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.727 11.095 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.516 9.807 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.879 8.682 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.828 7.599 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.202 7.526 1.216 1.00 0.00 H new ATOM 553 N SER A 36 7.962 8.652 -3.454 1.00 0.00 N ATOM 554 CA SER A 36 7.357 8.034 -4.664 1.00 0.00 C ATOM 555 C SER A 36 8.291 7.111 -5.498 1.00 0.00 C ATOM 556 O SER A 36 7.835 6.049 -5.920 1.00 0.00 O ATOM 557 CB SER A 36 6.642 9.104 -5.519 1.00 0.00 C ATOM 558 OG SER A 36 5.491 8.521 -6.125 1.00 0.00 O ATOM 0 H SER A 36 8.077 9.664 -3.512 1.00 0.00 H new ATOM 0 HA SER A 36 6.614 7.331 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.352 9.951 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.317 9.487 -6.284 1.00 0.00 H new ATOM 0 HG SER A 36 4.817 8.337 -5.438 1.00 0.00 H new ATOM 564 N ALA A 37 9.585 7.434 -5.675 1.00 0.00 N ATOM 565 CA ALA A 37 10.572 6.474 -6.240 1.00 0.00 C ATOM 566 C ALA A 37 10.848 5.188 -5.396 1.00 0.00 C ATOM 567 O ALA A 37 10.889 4.099 -5.973 1.00 0.00 O ATOM 568 CB ALA A 37 11.868 7.246 -6.519 1.00 0.00 C ATOM 0 H ALA A 37 9.978 8.345 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 37 10.129 6.072 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.613 6.568 -6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.668 8.047 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 37 12.245 7.673 -5.589 1.00 0.00 H new ATOM 574 N LEU A 38 10.994 5.300 -4.064 1.00 0.00 N ATOM 575 CA LEU A 38 11.086 4.118 -3.159 1.00 0.00 C ATOM 576 C LEU A 38 9.793 3.229 -3.072 1.00 0.00 C ATOM 577 O LEU A 38 9.909 2.002 -3.041 1.00 0.00 O ATOM 578 CB LEU A 38 11.540 4.574 -1.744 1.00 0.00 C ATOM 579 CG LEU A 38 13.066 4.601 -1.492 1.00 0.00 C ATOM 580 CD1 LEU A 38 13.835 5.618 -2.339 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.320 4.918 -0.003 1.00 0.00 C ATOM 0 H LEU A 38 11.052 6.196 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 38 11.831 3.463 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.145 5.574 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.083 3.913 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 38 13.435 3.616 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.896 5.566 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.694 5.392 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.463 6.621 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.393 4.940 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.889 5.889 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.858 4.150 0.617 1.00 0.00 H new ATOM 593 N LEU A 39 8.601 3.830 -3.046 1.00 0.00 N ATOM 594 CA LEU A 39 7.315 3.103 -3.222 1.00 0.00 C ATOM 595 C LEU A 39 6.962 2.608 -4.676 1.00 0.00 C ATOM 596 O LEU A 39 6.205 1.646 -4.817 1.00 0.00 O ATOM 597 CB LEU A 39 6.197 4.042 -2.697 1.00 0.00 C ATOM 598 CG LEU A 39 6.188 4.262 -1.164 1.00 0.00 C ATOM 599 CD1 LEU A 39 5.172 5.347 -0.788 1.00 0.00 C ATOM 600 CD2 LEU A 39 5.861 2.990 -0.383 1.00 0.00 C ATOM 0 H LEU A 39 8.487 4.833 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 39 7.411 2.171 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.298 5.011 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.231 3.633 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 39 7.198 4.571 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.177 5.491 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.440 6.282 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.177 5.040 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.870 3.207 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.874 2.629 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.606 2.226 -0.604 1.00 0.00 H new ATOM 612 N GLY A 40 7.508 3.243 -5.713 1.00 0.00 N ATOM 613 CA GLY A 40 7.398 2.786 -7.117 1.00 0.00 C ATOM 614 C GLY A 40 6.294 3.461 -7.938 1.00 0.00 C ATOM 615 O GLY A 40 5.333 2.807 -8.349 1.00 0.00 O ATOM 0 H GLY A 40 8.048 4.102 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.353 2.956 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.224 1.710 -7.120 1.00 0.00 H new ATOM 619 N THR A 41 6.394 4.777 -8.135 1.00 0.00 N ATOM 620 CA THR A 41 5.306 5.625 -8.717 1.00 0.00 C ATOM 621 C THR A 41 5.918 7.050 -9.023 1.00 0.00 C ATOM 622 O THR A 41 6.826 7.491 -8.308 1.00 0.00 O ATOM 623 CB THR A 41 4.097 5.722 -7.725 1.00 0.00 C ATOM 624 OG1 THR A 41 3.587 4.425 -7.423 1.00 0.00 O ATOM 625 CG2 THR A 41 2.869 6.470 -8.215 1.00 0.00 C ATOM 0 H THR A 41 7.233 5.306 -7.899 1.00 0.00 H new ATOM 0 HA THR A 41 4.925 5.184 -9.638 1.00 0.00 H new ATOM 0 HB THR A 41 4.541 6.261 -6.888 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.977 3.769 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.106 6.465 -7.437 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.140 7.499 -8.451 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.479 5.983 -9.109 1.00 0.00 H new ATOM 633 N PRO A 42 5.450 7.846 -10.017 1.00 0.00 N ATOM 634 CA PRO A 42 5.773 9.314 -10.079 1.00 0.00 C ATOM 635 C PRO A 42 5.142 10.162 -8.935 1.00 0.00 C ATOM 636 O PRO A 42 4.284 9.698 -8.176 1.00 0.00 O ATOM 637 CB PRO A 42 5.254 9.682 -11.495 1.00 0.00 C ATOM 638 CG PRO A 42 4.106 8.683 -11.772 1.00 0.00 C ATOM 639 CD PRO A 42 4.583 7.379 -11.114 1.00 0.00 C ATOM 0 HA PRO A 42 6.831 9.529 -9.928 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.898 10.712 -11.530 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.044 9.592 -12.241 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.165 9.026 -11.342 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.939 8.553 -12.841 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.747 6.788 -10.741 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.129 6.750 -11.818 1.00 0.00 H new ATOM 647 N SER A 43 5.595 11.412 -8.778 1.00 0.00 N ATOM 648 CA SER A 43 4.932 12.396 -7.884 1.00 0.00 C ATOM 649 C SER A 43 3.924 13.264 -8.694 1.00 0.00 C ATOM 650 O SER A 43 2.924 12.724 -9.173 1.00 0.00 O ATOM 651 CB SER A 43 6.033 13.105 -7.055 1.00 0.00 C ATOM 652 OG SER A 43 6.869 13.977 -7.816 1.00 0.00 O ATOM 0 H SER A 43 6.420 11.776 -9.256 1.00 0.00 H new ATOM 0 HA SER A 43 4.281 11.946 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.559 13.678 -6.258 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.656 12.349 -6.577 1.00 0.00 H new ATOM 0 HG SER A 43 7.536 14.388 -7.227 1.00 0.00 H new ATOM 658 N ILE A 44 4.179 14.564 -8.871 1.00 0.00 N ATOM 659 CA ILE A 44 3.455 15.426 -9.848 1.00 0.00 C ATOM 660 C ILE A 44 4.594 16.262 -10.546 1.00 0.00 C ATOM 661 O ILE A 44 5.205 17.089 -9.861 1.00 0.00 O ATOM 662 CB ILE A 44 2.336 16.322 -9.196 1.00 0.00 C ATOM 663 CG1 ILE A 44 1.151 15.450 -8.685 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.787 17.354 -10.218 1.00 0.00 C ATOM 665 CD1 ILE A 44 0.102 16.206 -7.873 1.00 0.00 C ATOM 0 H ILE A 44 4.895 15.064 -8.344 1.00 0.00 H new ATOM 0 HA ILE A 44 2.887 14.831 -10.563 1.00 0.00 H new ATOM 0 HB ILE A 44 2.792 16.846 -8.356 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.662 14.988 -9.543 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.551 14.642 -8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.016 17.961 -9.744 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.599 17.998 -10.556 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.361 16.828 -11.073 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.683 15.517 -7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.571 16.645 -6.992 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.332 16.997 -8.485 1.00 0.00 H new ATOM 677 N PRO A 45 4.907 16.121 -11.861 1.00 0.00 N ATOM 678 CA PRO A 45 5.966 16.956 -12.525 1.00 0.00 C ATOM 679 C PRO A 45 5.513 18.389 -12.940 1.00 0.00 C ATOM 680 O PRO A 45 5.426 18.722 -14.125 1.00 0.00 O ATOM 681 CB PRO A 45 6.389 16.032 -13.699 1.00 0.00 C ATOM 682 CG PRO A 45 5.101 15.257 -14.063 1.00 0.00 C ATOM 683 CD PRO A 45 4.444 14.996 -12.699 1.00 0.00 C ATOM 0 HA PRO A 45 6.790 17.220 -11.863 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.758 16.610 -14.546 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.190 15.355 -13.403 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.452 15.840 -14.716 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.326 14.327 -14.585 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.357 14.976 -12.776 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.752 14.036 -12.284 1.00 0.00 H new ATOM 691 N ASP A 46 5.296 19.240 -11.929 1.00 0.00 N ATOM 692 CA ASP A 46 5.090 20.697 -12.104 1.00 0.00 C ATOM 693 C ASP A 46 6.277 21.478 -11.436 1.00 0.00 C ATOM 694 O ASP A 46 6.448 21.356 -10.215 1.00 0.00 O ATOM 695 CB ASP A 46 3.711 21.106 -11.528 1.00 0.00 C ATOM 696 CG ASP A 46 3.406 22.609 -11.573 1.00 0.00 C ATOM 697 OD1 ASP A 46 3.837 23.299 -12.522 1.00 0.00 O ATOM 698 OD2 ASP A 46 2.787 23.123 -10.619 1.00 0.00 O ATOM 0 H ASP A 46 5.257 18.941 -10.955 1.00 0.00 H new ATOM 0 HA ASP A 46 5.084 20.954 -13.163 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.933 20.577 -12.079 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.653 20.770 -10.493 1.00 0.00 H new ATOM 703 N PRO A 47 7.060 22.332 -12.149 1.00 0.00 N ATOM 704 CA PRO A 47 7.967 23.322 -11.487 1.00 0.00 C ATOM 705 C PRO A 47 7.319 24.559 -10.791 1.00 0.00 C ATOM 706 O PRO A 47 8.042 25.256 -10.076 1.00 0.00 O ATOM 707 CB PRO A 47 8.885 23.722 -12.675 1.00 0.00 C ATOM 708 CG PRO A 47 7.957 23.669 -13.910 1.00 0.00 C ATOM 709 CD PRO A 47 7.014 22.488 -13.620 1.00 0.00 C ATOM 0 HA PRO A 47 8.457 22.879 -10.620 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.305 24.718 -12.535 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.724 23.034 -12.778 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.404 24.600 -14.033 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.523 23.511 -14.828 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.001 22.694 -13.966 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.346 21.581 -14.126 1.00 0.00 H new ATOM 717 N PHE A 48 6.012 24.839 -10.965 1.00 0.00 N ATOM 718 CA PHE A 48 5.317 25.947 -10.254 1.00 0.00 C ATOM 719 C PHE A 48 4.965 25.537 -8.794 1.00 0.00 C ATOM 720 O PHE A 48 5.617 26.036 -7.873 1.00 0.00 O ATOM 721 CB PHE A 48 4.136 26.392 -11.151 1.00 0.00 C ATOM 722 CG PHE A 48 3.590 27.821 -10.931 1.00 0.00 C ATOM 723 CD1 PHE A 48 3.284 28.329 -9.653 1.00 0.00 C ATOM 724 CD2 PHE A 48 3.354 28.644 -12.043 1.00 0.00 C ATOM 725 CE1 PHE A 48 2.771 29.618 -9.497 1.00 0.00 C ATOM 726 CE2 PHE A 48 2.838 29.933 -11.888 1.00 0.00 C ATOM 727 CZ PHE A 48 2.549 30.417 -10.616 1.00 0.00 C ATOM 0 H PHE A 48 5.407 24.313 -11.595 1.00 0.00 H new ATOM 0 HA PHE A 48 5.951 26.822 -10.109 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.449 26.305 -12.191 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.316 25.689 -11.005 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.449 27.713 -8.782 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.575 28.275 -13.034 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.547 29.995 -8.510 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.664 30.553 -12.755 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.152 31.414 -10.496 1.00 0.00 H new ATOM 737 N HIS A 49 3.969 24.662 -8.561 1.00 0.00 N ATOM 738 CA HIS A 49 3.715 24.088 -7.214 1.00 0.00 C ATOM 739 C HIS A 49 3.039 22.693 -7.369 1.00 0.00 C ATOM 740 O HIS A 49 1.809 22.563 -7.346 1.00 0.00 O ATOM 741 CB HIS A 49 2.904 25.084 -6.349 1.00 0.00 C ATOM 742 CG HIS A 49 2.740 24.644 -4.884 1.00 0.00 C ATOM 743 ND1 HIS A 49 3.704 24.815 -3.909 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.637 23.956 -4.337 1.00 0.00 C ATOM 745 CE1 HIS A 49 3.089 24.210 -2.846 1.00 0.00 C ATOM 746 NE2 HIS A 49 1.844 23.655 -3.004 1.00 0.00 N ATOM 0 H HIS A 49 3.326 24.334 -9.281 1.00 0.00 H new ATOM 0 HA HIS A 49 4.652 23.928 -6.681 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.396 26.056 -6.374 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.917 25.215 -6.792 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.745 23.698 -4.889 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.582 24.170 -1.886 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.248 23.166 -2.336 1.00 0.00 H new ATOM 754 N ALA A 50 3.870 21.644 -7.445 1.00 0.00 N ATOM 755 CA ALA A 50 3.391 20.248 -7.472 1.00 0.00 C ATOM 756 C ALA A 50 2.834 19.767 -6.099 1.00 0.00 C ATOM 757 O ALA A 50 3.587 19.548 -5.145 1.00 0.00 O ATOM 758 CB ALA A 50 4.589 19.428 -7.951 1.00 0.00 C ATOM 0 H ALA A 50 4.885 21.734 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 50 2.537 20.134 -8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.313 18.374 -7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.891 19.769 -8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.418 19.555 -7.255 1.00 0.00 H new ATOM 764 N GLN A 51 1.505 19.633 -6.030 1.00 0.00 N ATOM 765 CA GLN A 51 0.765 19.376 -4.763 1.00 0.00 C ATOM 766 C GLN A 51 0.904 17.902 -4.220 1.00 0.00 C ATOM 767 O GLN A 51 1.774 17.141 -4.651 1.00 0.00 O ATOM 768 CB GLN A 51 -0.720 19.752 -5.071 1.00 0.00 C ATOM 769 CG GLN A 51 -1.010 21.255 -5.262 1.00 0.00 C ATOM 770 CD GLN A 51 -2.489 21.549 -5.519 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.400 20.831 -5.107 1.00 0.00 O ATOM 772 NE2 GLN A 51 -2.785 22.632 -6.193 1.00 0.00 N ATOM 0 H GLN A 51 0.899 19.698 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 51 1.185 19.975 -3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.028 19.225 -5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.344 19.382 -4.258 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.686 21.798 -4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.420 21.630 -6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.040 23.236 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.760 22.871 -6.371 1.00 0.00 H new ATOM 781 N ARG A 52 0.035 17.510 -3.268 1.00 0.00 N ATOM 782 CA ARG A 52 -0.160 16.100 -2.838 1.00 0.00 C ATOM 783 C ARG A 52 -0.213 15.032 -3.978 1.00 0.00 C ATOM 784 O ARG A 52 -0.846 15.256 -5.013 1.00 0.00 O ATOM 785 CB ARG A 52 -1.431 16.050 -1.938 1.00 0.00 C ATOM 786 CG ARG A 52 -2.829 15.898 -2.552 1.00 0.00 C ATOM 787 CD ARG A 52 -3.333 17.007 -3.474 1.00 0.00 C ATOM 788 NE ARG A 52 -4.640 16.565 -4.018 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.388 17.226 -4.887 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.156 18.448 -5.296 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.423 16.597 -5.354 1.00 0.00 N ATOM 0 H ARG A 52 -0.562 18.167 -2.766 1.00 0.00 H new ATOM 0 HA ARG A 52 0.735 15.810 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.297 15.222 -1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.440 16.966 -1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.847 14.964 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.543 15.793 -1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.441 17.943 -2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.623 17.190 -4.280 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.996 15.667 -3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.349 18.960 -4.941 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.783 18.888 -5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.622 15.645 -5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.037 17.055 -6.027 1.00 0.00 H new ATOM 805 N TRP A 53 0.399 13.865 -3.753 1.00 0.00 N ATOM 806 CA TRP A 53 0.273 12.706 -4.702 1.00 0.00 C ATOM 807 C TRP A 53 -1.082 12.017 -4.420 1.00 0.00 C ATOM 808 O TRP A 53 -1.236 11.397 -3.369 1.00 0.00 O ATOM 809 CB TRP A 53 1.538 11.837 -4.552 1.00 0.00 C ATOM 810 CG TRP A 53 1.535 10.312 -4.913 1.00 0.00 C ATOM 811 CD1 TRP A 53 0.566 9.572 -5.648 1.00 0.00 C ATOM 812 CD2 TRP A 53 2.426 9.332 -4.456 1.00 0.00 C ATOM 813 NE1 TRP A 53 0.804 8.192 -5.627 1.00 0.00 N ATOM 814 CE2 TRP A 53 1.960 8.062 -4.901 1.00 0.00 C ATOM 815 CE3 TRP A 53 3.570 9.405 -3.602 1.00 0.00 C ATOM 816 CZ2 TRP A 53 2.626 6.874 -4.495 1.00 0.00 C ATOM 817 CZ3 TRP A 53 4.185 8.225 -3.200 1.00 0.00 C ATOM 818 CH2 TRP A 53 3.727 6.974 -3.654 1.00 0.00 C ATOM 0 H TRP A 53 0.984 13.679 -2.939 1.00 0.00 H new ATOM 0 HA TRP A 53 0.241 12.982 -5.756 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.316 12.304 -5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.854 11.915 -3.512 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.265 10.027 -6.167 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.245 7.453 -6.054 1.00 0.00 H new ATOM 0 HE3 TRP A 53 3.950 10.361 -3.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.281 5.909 -4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.029 8.269 -2.528 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.241 6.076 -3.343 1.00 0.00 H new ATOM 829 N ASP A 54 -2.031 12.143 -5.359 1.00 0.00 N ATOM 830 CA ASP A 54 -3.444 11.729 -5.133 1.00 0.00 C ATOM 831 C ASP A 54 -3.943 10.649 -6.156 1.00 0.00 C ATOM 832 O ASP A 54 -4.988 10.819 -6.793 1.00 0.00 O ATOM 833 CB ASP A 54 -4.263 13.050 -5.190 1.00 0.00 C ATOM 834 CG ASP A 54 -5.551 13.073 -4.379 1.00 0.00 C ATOM 835 OD1 ASP A 54 -5.968 12.038 -3.817 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.121 14.181 -4.246 1.00 0.00 O ATOM 0 H ASP A 54 -1.856 12.528 -6.287 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.563 11.227 -4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.626 13.864 -4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.509 13.257 -6.232 1.00 0.00 H new ATOM 841 N TYR A 55 -3.210 9.529 -6.327 1.00 0.00 N ATOM 842 CA TYR A 55 -3.526 8.547 -7.402 1.00 0.00 C ATOM 843 C TYR A 55 -4.310 7.311 -6.850 1.00 0.00 C ATOM 844 O TYR A 55 -3.813 6.531 -6.032 1.00 0.00 O ATOM 845 CB TYR A 55 -2.259 8.103 -8.180 1.00 0.00 C ATOM 846 CG TYR A 55 -1.469 9.218 -8.913 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.087 10.290 -9.594 1.00 0.00 C ATOM 848 CD2 TYR A 55 -0.074 9.200 -8.849 1.00 0.00 C ATOM 849 CE1 TYR A 55 -1.325 11.340 -10.114 1.00 0.00 C ATOM 850 CE2 TYR A 55 0.684 10.268 -9.333 1.00 0.00 C ATOM 851 CZ TYR A 55 0.059 11.337 -9.967 1.00 0.00 C ATOM 852 OH TYR A 55 0.786 12.397 -10.418 1.00 0.00 O ATOM 0 H TYR A 55 -2.408 9.279 -5.749 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.177 9.062 -8.109 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.584 7.611 -7.480 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.555 7.355 -8.916 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.160 10.298 -9.714 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.427 8.346 -8.418 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.811 12.155 -10.631 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.758 10.264 -9.215 1.00 0.00 H new ATOM 0 HH TYR A 55 1.738 12.234 -10.254 1.00 0.00 H new ATOM 862 N THR A 56 -5.539 7.157 -7.356 1.00 0.00 N ATOM 863 CA THR A 56 -6.396 5.970 -7.112 1.00 0.00 C ATOM 864 C THR A 56 -6.408 5.060 -8.372 1.00 0.00 C ATOM 865 O THR A 56 -6.894 5.465 -9.433 1.00 0.00 O ATOM 866 CB THR A 56 -7.807 6.486 -6.708 1.00 0.00 C ATOM 867 OG1 THR A 56 -7.740 7.061 -5.406 1.00 0.00 O ATOM 868 CG2 THR A 56 -8.882 5.404 -6.664 1.00 0.00 C ATOM 0 H THR A 56 -5.980 7.856 -7.954 1.00 0.00 H new ATOM 0 HA THR A 56 -6.013 5.351 -6.301 1.00 0.00 H new ATOM 0 HB THR A 56 -8.088 7.204 -7.478 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.626 7.389 -5.147 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.834 5.849 -6.374 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.980 4.948 -7.649 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.601 4.642 -5.937 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.282 0.036 -3.875 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.250 0.909 -4.516 1.00 0.00 C ATOM 1097 C LYS A 70 -4.676 2.429 -4.604 1.00 0.00 C ATOM 1098 O LYS A 70 -4.676 3.061 -5.663 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.656 0.313 -5.813 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.532 -0.729 -5.616 1.00 0.00 C ATOM 1101 CD LYS A 70 -3.008 -2.109 -5.135 1.00 0.00 C ATOM 1102 CE LYS A 70 -1.825 -3.034 -4.808 1.00 0.00 C ATOM 1103 NZ LYS A 70 -2.338 -4.300 -4.216 1.00 0.00 N ATOM 0 HA LYS A 70 -3.403 0.920 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.462 -0.152 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.267 1.129 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.001 -0.852 -6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.814 -0.337 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.633 -1.991 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.628 -2.569 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.255 -3.247 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.146 -2.542 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.539 -4.928 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.864 -4.087 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.969 -4.770 -4.896 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.000 2.971 -3.426 1.00 0.00 N ATOM 1118 CA ASN A 71 -5.429 4.364 -3.218 1.00 0.00 C ATOM 1119 C ASN A 71 -4.417 4.950 -2.164 1.00 0.00 C ATOM 1120 O ASN A 71 -4.521 4.652 -0.967 1.00 0.00 O ATOM 1121 CB ASN A 71 -6.850 4.418 -2.580 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.035 4.022 -3.435 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.043 3.035 -4.163 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.128 4.740 -3.332 1.00 0.00 N ATOM 0 H ASN A 71 -4.971 2.436 -2.558 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.452 4.907 -4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.844 3.774 -1.700 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.019 5.436 -2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.964 4.474 -3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.142 5.565 -2.732 1.00 0.00 H new ATOM 1131 N PHE A 72 -3.441 5.742 -2.616 1.00 0.00 N ATOM 1132 CA PHE A 72 -2.472 6.408 -1.695 1.00 0.00 C ATOM 1133 C PHE A 72 -2.516 7.940 -1.938 1.00 0.00 C ATOM 1134 O PHE A 72 -1.846 8.451 -2.842 1.00 0.00 O ATOM 1135 CB PHE A 72 -1.073 5.785 -1.936 1.00 0.00 C ATOM 1136 CG PHE A 72 0.007 6.133 -0.889 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -0.019 5.532 0.375 1.00 0.00 C ATOM 1138 CD2 PHE A 72 1.090 6.969 -1.203 1.00 0.00 C ATOM 1139 CE1 PHE A 72 1.024 5.720 1.285 1.00 0.00 C ATOM 1140 CE2 PHE A 72 2.137 7.154 -0.293 1.00 0.00 C ATOM 1141 CZ PHE A 72 2.101 6.529 0.948 1.00 0.00 C ATOM 0 H PHE A 72 -3.288 5.946 -3.604 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.726 6.251 -0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.180 4.701 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.718 6.104 -2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.860 4.913 0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.116 7.475 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.993 5.236 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.974 7.783 -0.555 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.910 6.672 1.649 1.00 0.00 H new ATOM 1151 N THR A 73 -3.297 8.665 -1.121 1.00 0.00 N ATOM 1152 CA THR A 73 -3.315 10.155 -1.155 1.00 0.00 C ATOM 1153 C THR A 73 -2.342 10.683 -0.065 1.00 0.00 C ATOM 1154 O THR A 73 -2.644 10.648 1.130 1.00 0.00 O ATOM 1155 CB THR A 73 -4.757 10.714 -1.044 1.00 0.00 C ATOM 1156 OG1 THR A 73 -5.515 10.296 -2.174 1.00 0.00 O ATOM 1157 CG2 THR A 73 -4.797 12.241 -1.059 1.00 0.00 C ATOM 0 H THR A 73 -3.925 8.256 -0.429 1.00 0.00 H new ATOM 0 HA THR A 73 -2.961 10.518 -2.120 1.00 0.00 H new ATOM 0 HB THR A 73 -5.157 10.342 -0.101 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.983 11.067 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.830 12.579 -0.979 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.222 12.628 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.367 12.607 -1.991 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.168 11.157 -0.495 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.073 11.585 0.421 1.00 0.00 C ATOM 1167 C VAL A 74 0.248 13.093 0.248 1.00 0.00 C ATOM 1168 O VAL A 74 0.485 13.587 -0.858 1.00 0.00 O ATOM 1169 CB VAL A 74 1.152 10.637 0.301 1.00 0.00 C ATOM 1170 CG1 VAL A 74 1.796 10.588 -1.083 1.00 0.00 C ATOM 1171 CG2 VAL A 74 2.271 10.982 1.305 1.00 0.00 C ATOM 0 H VAL A 74 -0.937 11.260 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.408 11.489 1.454 1.00 0.00 H new ATOM 0 HB VAL A 74 0.716 9.662 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.641 9.900 -1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.063 10.245 -1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.144 11.584 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.102 10.288 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.618 12.000 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.885 10.902 2.321 1.00 0.00 H new ATOM 1181 N PHE A 75 0.261 13.806 1.377 1.00 0.00 N ATOM 1182 CA PHE A 75 0.232 15.283 1.406 1.00 0.00 C ATOM 1183 C PHE A 75 1.648 15.887 1.579 1.00 0.00 C ATOM 1184 O PHE A 75 2.431 15.458 2.432 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.717 15.737 2.551 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.206 15.468 2.251 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.957 16.370 1.482 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.821 14.285 2.691 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.289 16.096 1.163 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.152 14.011 2.376 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.884 14.919 1.613 1.00 0.00 C ATOM 0 H PHE A 75 0.292 13.380 2.303 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.141 15.650 0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.439 15.221 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.576 16.803 2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.501 17.285 1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.256 13.578 3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.857 16.796 0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.614 13.098 2.722 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.915 14.710 1.370 1.00 0.00 H new ATOM 1201 N PHE A 76 1.946 16.899 0.759 1.00 0.00 N ATOM 1202 CA PHE A 76 3.262 17.586 0.756 1.00 0.00 C ATOM 1203 C PHE A 76 3.062 19.104 1.043 1.00 0.00 C ATOM 1204 O PHE A 76 2.145 19.724 0.492 1.00 0.00 O ATOM 1205 CB PHE A 76 4.001 17.395 -0.600 1.00 0.00 C ATOM 1206 CG PHE A 76 4.214 15.929 -1.022 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.953 15.029 -0.234 1.00 0.00 C ATOM 1208 CD2 PHE A 76 3.599 15.451 -2.182 1.00 0.00 C ATOM 1209 CE1 PHE A 76 5.026 13.679 -0.577 1.00 0.00 C ATOM 1210 CE2 PHE A 76 3.698 14.107 -2.542 1.00 0.00 C ATOM 1211 CZ PHE A 76 4.403 13.221 -1.734 1.00 0.00 C ATOM 0 H PHE A 76 1.289 17.273 0.075 1.00 0.00 H new ATOM 0 HA PHE A 76 3.878 17.142 1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.435 17.904 -1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.973 17.885 -0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.469 15.386 0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.040 16.131 -2.808 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.566 12.989 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.227 13.754 -3.448 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.467 12.177 -2.005 1.00 0.00 H new ATOM 1221 N GLU A 77 3.934 19.704 1.869 1.00 0.00 N ATOM 1222 CA GLU A 77 3.909 21.186 2.105 1.00 0.00 C ATOM 1223 C GLU A 77 4.438 21.975 0.872 1.00 0.00 C ATOM 1224 O GLU A 77 3.663 22.656 0.198 1.00 0.00 O ATOM 1225 CB GLU A 77 4.613 21.456 3.453 1.00 0.00 C ATOM 1226 CG GLU A 77 4.658 22.933 3.900 1.00 0.00 C ATOM 1227 CD GLU A 77 6.052 23.541 3.953 1.00 0.00 C ATOM 1228 OE1 GLU A 77 6.660 23.782 2.888 1.00 0.00 O ATOM 1229 OE2 GLU A 77 6.562 23.761 5.070 1.00 0.00 O ATOM 0 H GLU A 77 4.661 19.209 2.385 1.00 0.00 H new ATOM 0 HA GLU A 77 2.893 21.568 2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.110 20.876 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.635 21.083 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.045 23.523 3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.204 23.013 4.888 1.00 0.00 H new ATOM 1236 N ASN A 78 5.723 21.810 0.546 1.00 0.00 N ATOM 1237 CA ASN A 78 6.274 22.153 -0.787 1.00 0.00 C ATOM 1238 C ASN A 78 6.805 20.834 -1.422 1.00 0.00 C ATOM 1239 O ASN A 78 6.093 20.250 -2.243 1.00 0.00 O ATOM 1240 CB ASN A 78 7.286 23.311 -0.678 1.00 0.00 C ATOM 1241 CG ASN A 78 6.617 24.681 -0.614 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.236 25.250 -1.633 1.00 0.00 O ATOM 1243 ND2 ASN A 78 6.439 25.254 0.551 1.00 0.00 N ATOM 0 H ASN A 78 6.418 21.436 1.192 1.00 0.00 H new ATOM 0 HA ASN A 78 5.518 22.548 -1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.898 23.169 0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.959 23.281 -1.535 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.987 26.166 0.607 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.753 24.787 1.402 1.00 0.00 H new ATOM 1250 N GLU A 79 7.986 20.334 -1.025 1.00 0.00 N ATOM 1251 CA GLU A 79 8.372 18.913 -1.258 1.00 0.00 C ATOM 1252 C GLU A 79 8.141 17.918 -0.069 1.00 0.00 C ATOM 1253 O GLU A 79 8.025 16.716 -0.310 1.00 0.00 O ATOM 1254 CB GLU A 79 9.819 18.819 -1.809 1.00 0.00 C ATOM 1255 CG GLU A 79 10.956 19.130 -0.823 1.00 0.00 C ATOM 1256 CD GLU A 79 12.330 18.817 -1.376 1.00 0.00 C ATOM 1257 OE1 GLU A 79 12.678 17.624 -1.493 1.00 0.00 O ATOM 1258 OE2 GLU A 79 13.109 19.767 -1.605 1.00 0.00 O ATOM 0 H GLU A 79 8.696 20.883 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 79 7.664 18.566 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.971 17.811 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.906 19.502 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.913 20.185 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.801 18.558 0.092 1.00 0.00 H new ATOM 1265 N GLN A 80 8.143 18.390 1.182 1.00 0.00 N ATOM 1266 CA GLN A 80 8.307 17.549 2.383 1.00 0.00 C ATOM 1267 C GLN A 80 6.985 16.930 2.895 1.00 0.00 C ATOM 1268 O GLN A 80 5.917 17.548 2.856 1.00 0.00 O ATOM 1269 CB GLN A 80 9.096 18.335 3.463 1.00 0.00 C ATOM 1270 CG GLN A 80 8.466 19.579 4.114 1.00 0.00 C ATOM 1271 CD GLN A 80 8.518 20.882 3.322 1.00 0.00 C ATOM 1272 OE1 GLN A 80 8.127 20.976 2.161 1.00 0.00 O ATOM 1273 NE2 GLN A 80 8.924 21.970 3.932 1.00 0.00 N ATOM 0 H GLN A 80 8.029 19.381 1.397 1.00 0.00 H new ATOM 0 HA GLN A 80 8.898 16.675 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.337 17.636 4.263 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.040 18.645 3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.421 19.355 4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.959 19.746 5.072 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.254 21.921 4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.910 22.865 3.442 1.00 0.00 H new ATOM 1282 N VAL A 81 7.081 15.676 3.351 1.00 0.00 N ATOM 1283 CA VAL A 81 5.898 14.795 3.539 1.00 0.00 C ATOM 1284 C VAL A 81 5.190 15.077 4.905 1.00 0.00 C ATOM 1285 O VAL A 81 5.813 15.011 5.968 1.00 0.00 O ATOM 1286 CB VAL A 81 6.259 13.268 3.416 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.986 12.446 3.114 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.329 12.893 2.374 1.00 0.00 C ATOM 0 H VAL A 81 7.967 15.236 3.601 1.00 0.00 H new ATOM 0 HA VAL A 81 5.206 15.034 2.731 1.00 0.00 H new ATOM 0 HB VAL A 81 6.697 13.030 4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.246 11.391 3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.266 12.580 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.547 12.787 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.487 11.815 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.994 13.199 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.264 13.400 2.614 1.00 0.00 H new ATOM 1298 N VAL A 82 3.885 15.362 4.846 1.00 0.00 N ATOM 1299 CA VAL A 82 3.052 15.633 6.052 1.00 0.00 C ATOM 1300 C VAL A 82 2.406 14.294 6.534 1.00 0.00 C ATOM 1301 O VAL A 82 2.816 13.784 7.578 1.00 0.00 O ATOM 1302 CB VAL A 82 2.046 16.800 5.777 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.164 17.129 7.002 1.00 0.00 C ATOM 1304 CG2 VAL A 82 2.748 18.123 5.376 1.00 0.00 C ATOM 0 H VAL A 82 3.365 15.414 3.970 1.00 0.00 H new ATOM 0 HA VAL A 82 3.662 15.992 6.881 1.00 0.00 H new ATOM 0 HB VAL A 82 1.437 16.428 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.486 17.945 6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.585 16.248 7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.798 17.425 7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.998 18.894 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.412 18.441 6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.329 17.966 4.467 1.00 0.00 H new ATOM 1314 N ARG A 83 1.423 13.731 5.800 1.00 0.00 N ATOM 1315 CA ARG A 83 0.814 12.413 6.143 1.00 0.00 C ATOM 1316 C ARG A 83 0.149 11.716 4.911 1.00 0.00 C ATOM 1317 O ARG A 83 -0.122 12.340 3.881 1.00 0.00 O ATOM 1318 CB ARG A 83 -0.088 12.483 7.402 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.336 13.371 7.409 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.546 12.966 6.561 1.00 0.00 C ATOM 1321 NE ARG A 83 -3.045 11.609 6.897 1.00 0.00 N ATOM 1322 CZ ARG A 83 -4.270 11.155 6.665 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -5.268 11.908 6.279 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -4.484 9.881 6.820 1.00 0.00 N ATOM 0 H ARG A 83 1.029 14.163 4.964 1.00 0.00 H new ATOM 0 HA ARG A 83 1.634 11.752 6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.414 11.467 7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.541 12.804 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.673 13.455 8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.031 14.368 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.347 13.691 6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.274 12.999 5.506 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.389 10.970 7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.128 12.909 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.186 11.494 6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.723 9.268 7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.413 9.496 6.651 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.099 10.405 5.043 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.638 9.543 3.957 1.00 0.00 C ATOM 1340 C TRP A 84 -2.006 8.884 4.322 1.00 0.00 C ATOM 1341 O TRP A 84 -2.253 8.496 5.470 1.00 0.00 O ATOM 1342 CB TRP A 84 0.397 8.511 3.451 1.00 0.00 C ATOM 1343 CG TRP A 84 1.304 7.772 4.467 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.123 6.471 4.997 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.496 8.233 5.040 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.133 6.140 5.912 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.968 7.235 5.926 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.237 9.453 4.878 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.162 7.451 6.673 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.398 9.638 5.618 1.00 0.00 C ATOM 1351 CH2 TRP A 84 4.851 8.650 6.509 1.00 0.00 C ATOM 0 H TRP A 84 0.068 9.899 5.913 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.842 10.212 3.121 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.148 7.752 2.889 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.050 9.024 2.745 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.308 5.815 4.730 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.228 5.278 6.449 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.897 10.214 4.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.527 6.697 7.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.960 10.553 5.507 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.752 8.824 7.078 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.878 8.790 3.308 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.287 8.361 3.449 1.00 0.00 C ATOM 1364 C GLU A 85 -4.625 7.213 2.441 1.00 0.00 C ATOM 1365 O GLU A 85 -4.289 7.271 1.252 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.167 9.612 3.141 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.671 9.483 3.464 1.00 0.00 C ATOM 1368 CD GLU A 85 -6.998 9.569 4.940 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -6.669 8.634 5.698 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -7.436 10.647 5.391 1.00 0.00 O ATOM 0 H GLU A 85 -2.624 9.013 2.346 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.471 7.978 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.768 10.458 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.063 9.852 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.213 10.268 2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.034 8.530 3.078 1.00 0.00 H new ATOM 1377 N GLY A 86 -5.386 6.232 2.936 1.00 0.00 N ATOM 1378 CA GLY A 86 -6.242 5.388 2.072 1.00 0.00 C ATOM 1379 C GLY A 86 -6.098 3.869 2.251 1.00 0.00 C ATOM 1380 O GLY A 86 -6.119 3.342 3.367 1.00 0.00 O ATOM 0 H GLY A 86 -5.432 5.997 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.283 5.657 2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.026 5.632 1.032 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.051 3.177 1.110 1.00 0.00 N ATOM 1385 CA ASP A 87 -6.121 1.687 1.053 1.00 0.00 C ATOM 1386 C ASP A 87 -5.198 1.248 -0.112 1.00 0.00 C ATOM 1387 O ASP A 87 -5.584 1.287 -1.282 1.00 0.00 O ATOM 1388 CB ASP A 87 -7.584 1.232 0.856 1.00 0.00 C ATOM 1389 CG ASP A 87 -7.814 -0.275 0.977 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -7.131 -1.068 0.296 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -8.713 -0.682 1.747 1.00 0.00 O ATOM 0 H ASP A 87 -5.964 3.618 0.194 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.785 1.223 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.209 1.740 1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.921 1.558 -0.128 1.00 0.00 H new ATOM 1396 N TYR A 88 -3.956 0.894 0.212 1.00 0.00 N ATOM 1397 CA TYR A 88 -2.866 0.777 -0.791 1.00 0.00 C ATOM 1398 C TYR A 88 -2.366 -0.667 -0.997 1.00 0.00 C ATOM 1399 O TYR A 88 -2.474 -1.198 -2.105 1.00 0.00 O ATOM 1400 CB TYR A 88 -1.819 1.892 -0.633 1.00 0.00 C ATOM 1401 CG TYR A 88 -1.111 2.076 0.703 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -1.767 2.687 1.789 1.00 0.00 C ATOM 1403 CD2 TYR A 88 0.245 1.772 0.825 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -1.074 2.980 2.962 1.00 0.00 C ATOM 1405 CE2 TYR A 88 0.938 2.073 1.997 1.00 0.00 C ATOM 1406 CZ TYR A 88 0.276 2.668 3.071 1.00 0.00 C ATOM 1407 OH TYR A 88 0.937 3.008 4.211 1.00 0.00 O ATOM 0 H TYR A 88 -3.665 0.679 1.166 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.282 0.980 -1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.051 1.728 -1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.308 2.835 -0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.816 2.931 1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.763 1.299 0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.587 3.450 3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.991 1.845 2.073 1.00 0.00 H new ATOM 0 HH TYR A 88 0.922 3.982 4.320 1.00 0.00 H new ATOM 1667 N GLY A 105 4.210 -16.602 18.440 1.00 0.00 N ATOM 1668 CA GLY A 105 5.605 -16.412 17.991 1.00 0.00 C ATOM 1669 C GLY A 105 6.046 -14.951 17.857 1.00 0.00 C ATOM 1670 O GLY A 105 6.509 -14.354 18.830 1.00 0.00 O ATOM 0 HA2 GLY A 105 6.269 -16.914 18.695 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.731 -16.904 17.027 1.00 0.00 H new ATOM 1674 N ARG A 106 5.972 -14.401 16.639 1.00 0.00 N ATOM 1675 CA ARG A 106 6.662 -13.133 16.296 1.00 0.00 C ATOM 1676 C ARG A 106 5.827 -11.867 16.638 1.00 0.00 C ATOM 1677 O ARG A 106 4.723 -11.649 16.126 1.00 0.00 O ATOM 1678 CB ARG A 106 7.046 -13.208 14.788 1.00 0.00 C ATOM 1679 CG ARG A 106 7.857 -11.994 14.270 1.00 0.00 C ATOM 1680 CD ARG A 106 8.325 -12.187 12.820 1.00 0.00 C ATOM 1681 NE ARG A 106 8.725 -10.886 12.225 1.00 0.00 N ATOM 1682 CZ ARG A 106 8.929 -10.670 10.929 1.00 0.00 C ATOM 1683 NH1 ARG A 106 8.850 -11.589 10.004 1.00 0.00 N ATOM 1684 NH2 ARG A 106 9.219 -9.470 10.534 1.00 0.00 N ATOM 0 H ARG A 106 5.443 -14.808 15.868 1.00 0.00 H new ATOM 0 HA ARG A 106 7.558 -13.028 16.908 1.00 0.00 H new ATOM 0 HB2 ARG A 106 7.626 -14.115 14.619 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.134 -13.298 14.198 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.244 -11.095 14.336 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.724 -11.837 14.912 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.166 -12.880 12.792 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.525 -12.633 12.230 1.00 0.00 H new ATOM 0 HE ARG A 106 8.853 -10.098 12.859 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.618 -12.549 10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.020 -11.346 9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.287 -8.712 11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.379 -9.284 9.544 1.00 0.00 H new ATOM 1698 N ASN A 107 6.443 -10.977 17.422 1.00 0.00 N ATOM 1699 CA ASN A 107 6.254 -9.510 17.267 1.00 0.00 C ATOM 1700 C ASN A 107 7.671 -8.896 16.988 1.00 0.00 C ATOM 1701 O ASN A 107 8.504 -8.812 17.894 1.00 0.00 O ATOM 1702 CB ASN A 107 5.562 -8.919 18.519 1.00 0.00 C ATOM 1703 CG ASN A 107 4.477 -7.905 18.176 1.00 0.00 C ATOM 1704 OD1 ASN A 107 3.309 -8.249 18.026 1.00 0.00 O ATOM 1705 ND2 ASN A 107 4.805 -6.652 18.011 1.00 0.00 N ATOM 0 H ASN A 107 7.080 -11.236 18.175 1.00 0.00 H new ATOM 0 HA ASN A 107 5.594 -9.268 16.434 1.00 0.00 H new ATOM 0 HB2 ASN A 107 5.124 -9.729 19.102 1.00 0.00 H new ATOM 0 HB3 ASN A 107 6.311 -8.442 19.150 1.00 0.00 H new ATOM 0 HD21 ASN A 107 4.092 -5.967 17.759 1.00 0.00 H new ATOM 0 HD22 ASN A 107 5.774 -6.358 18.134 1.00 0.00 H new ATOM 1712 N LEU A 108 7.954 -8.565 15.715 1.00 0.00 N ATOM 1713 CA LEU A 108 9.247 -7.948 15.306 1.00 0.00 C ATOM 1714 C LEU A 108 9.047 -7.148 13.975 1.00 0.00 C ATOM 1715 O LEU A 108 9.122 -7.707 12.873 1.00 0.00 O ATOM 1716 CB LEU A 108 10.354 -9.031 15.212 1.00 0.00 C ATOM 1717 CG LEU A 108 11.781 -8.530 14.886 1.00 0.00 C ATOM 1718 CD1 LEU A 108 12.371 -7.650 15.994 1.00 0.00 C ATOM 1719 CD2 LEU A 108 12.703 -9.744 14.664 1.00 0.00 C ATOM 0 H LEU A 108 7.306 -8.712 14.941 1.00 0.00 H new ATOM 0 HA LEU A 108 9.581 -7.235 16.060 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.389 -9.567 16.160 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.062 -9.752 14.448 1.00 0.00 H new ATOM 0 HG LEU A 108 11.712 -7.917 13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.373 -7.329 15.709 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.737 -6.775 16.140 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.423 -8.219 16.922 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.711 -9.398 14.434 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.726 -10.353 15.567 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.325 -10.341 13.834 1.00 0.00 H new ATOM 1731 N ALA A 109 8.801 -5.842 14.127 1.00 0.00 N ATOM 1732 CA ALA A 109 8.746 -4.856 13.021 1.00 0.00 C ATOM 1733 C ALA A 109 9.524 -3.551 13.401 1.00 0.00 C ATOM 1734 O ALA A 109 10.551 -3.263 12.784 1.00 0.00 O ATOM 1735 CB ALA A 109 7.266 -4.623 12.698 1.00 0.00 C ATOM 0 H ALA A 109 8.629 -5.423 15.041 1.00 0.00 H new ATOM 0 HA ALA A 109 9.244 -5.225 12.124 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.180 -3.901 11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.807 -5.564 12.396 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.757 -4.238 13.582 1.00 0.00 H new ATOM 1741 N ARG A 110 9.068 -2.798 14.425 1.00 0.00 N ATOM 1742 CA ARG A 110 9.915 -1.783 15.126 1.00 0.00 C ATOM 1743 C ARG A 110 9.679 -1.909 16.669 1.00 0.00 C ATOM 1744 O ARG A 110 9.066 -1.052 17.318 1.00 0.00 O ATOM 1745 CB ARG A 110 9.603 -0.387 14.537 1.00 0.00 C ATOM 1746 CG ARG A 110 10.497 0.755 15.069 1.00 0.00 C ATOM 1747 CD ARG A 110 10.154 2.092 14.393 1.00 0.00 C ATOM 1748 NE ARG A 110 10.937 3.225 14.950 1.00 0.00 N ATOM 1749 CZ ARG A 110 12.127 3.634 14.516 1.00 0.00 C ATOM 1750 NH1 ARG A 110 12.859 2.978 13.653 1.00 0.00 N ATOM 1751 NH2 ARG A 110 12.599 4.752 14.984 1.00 0.00 N ATOM 0 H ARG A 110 8.119 -2.867 14.792 1.00 0.00 H new ATOM 0 HA ARG A 110 10.981 -1.950 14.968 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.705 -0.434 13.453 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.562 -0.143 14.749 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.370 0.847 16.148 1.00 0.00 H new ATOM 0 HG3 ARG A 110 11.545 0.513 14.891 1.00 0.00 H new ATOM 0 HD2 ARG A 110 10.344 2.014 13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.090 2.295 14.514 1.00 0.00 H new ATOM 0 HE ARG A 110 10.527 3.734 15.733 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.525 2.094 13.269 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.763 3.351 13.364 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.060 5.288 15.664 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.508 5.092 14.671 1.00 0.00 H new ATOM 1765 N ASP A 111 10.192 -3.004 17.240 1.00 0.00 N ATOM 1766 CA ASP A 111 9.749 -3.507 18.566 1.00 0.00 C ATOM 1767 C ASP A 111 10.676 -3.086 19.745 1.00 0.00 C ATOM 1768 O ASP A 111 11.660 -2.355 19.593 1.00 0.00 O ATOM 1769 CB ASP A 111 9.555 -5.038 18.422 1.00 0.00 C ATOM 1770 CG ASP A 111 8.182 -5.397 17.853 1.00 0.00 C ATOM 1771 OD1 ASP A 111 7.947 -5.211 16.639 1.00 0.00 O ATOM 1772 OD2 ASP A 111 7.323 -5.856 18.633 1.00 0.00 O ATOM 0 H ASP A 111 10.922 -3.571 16.808 1.00 0.00 H new ATOM 0 HA ASP A 111 8.805 -3.041 18.847 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.332 -5.441 17.772 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.677 -5.511 19.396 1.00 0.00 H new ATOM 1777 N LYS A 112 10.243 -3.423 20.965 1.00 0.00 N ATOM 1778 CA LYS A 112 10.983 -3.114 22.217 1.00 0.00 C ATOM 1779 C LYS A 112 10.623 -4.143 23.331 1.00 0.00 C ATOM 1780 O LYS A 112 9.906 -3.841 24.289 1.00 0.00 O ATOM 1781 CB LYS A 112 10.823 -1.627 22.625 1.00 0.00 C ATOM 1782 CG LYS A 112 9.402 -1.101 22.885 1.00 0.00 C ATOM 1783 CD LYS A 112 9.058 0.238 22.211 1.00 0.00 C ATOM 1784 CE LYS A 112 8.611 0.150 20.738 1.00 0.00 C ATOM 1785 NZ LYS A 112 9.749 0.038 19.783 1.00 0.00 N ATOM 0 H LYS A 112 9.367 -3.920 21.124 1.00 0.00 H new ATOM 0 HA LYS A 112 12.053 -3.231 22.042 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.411 -1.463 23.528 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.268 -1.015 21.840 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.688 -1.852 22.547 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.265 -0.992 23.961 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.265 0.719 22.784 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.932 0.887 22.268 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.956 -0.713 20.615 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.023 1.034 20.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.414 -0.381 18.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.139 0.984 19.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.489 -0.567 20.194 1.00 0.00 H new