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 36 SER OG : rot -44:sc= 1.97 USER MOD Set 1.2: A 43 SER OG : rot 54:sc= 0.894 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -139:sc= 2.19 (180deg=1.75) USER MOD Set 2.2: A 78 ASN : amide:sc= 0.574 K(o=2.8,f=0.15) USER MOD Set 3.1: A 20 GLN : amide:sc= 0.314 X(o=0.4,f=0.0044) USER MOD Set 3.2: A 88 TYR OH : rot 152:sc= 0.0898 USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.19) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0.157 X(o=0.16,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 83:sc= 0.793 USER MOD Single : A 33 GLN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -5:sc= 0.921 USER MOD Single : A 49 HIS : no HE2:sc= 0.0711 K(o=0.071,f=-0.58) USER MOD Single : A 51 GLN : amide:sc= 0.298 X(o=0.3,f=0) USER MOD Single : A 55 TYR OH : rot 170:sc= 1.29 USER MOD Single : A 56 THR OG1 : rot 149:sc= 1.16 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 0.454 (180deg=0.45) USER MOD Single : A 71 ASN : amide:sc= -0.0688 K(o=-0.069,f=-0.66) USER MOD Single : A 73 THR OG1 : rot -79:sc= 1.13 USER MOD Single : A 80 GLN : amide:sc= 0.634 K(o=0.63,f=-0.25) USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 1.505 -1.946 -2.493 1.00 0.00 N ATOM 265 CA ILE A 18 1.250 -1.669 -1.045 1.00 0.00 C ATOM 266 C ILE A 18 2.001 -2.724 -0.155 1.00 0.00 C ATOM 267 O ILE A 18 2.159 -3.899 -0.499 1.00 0.00 O ATOM 268 CB ILE A 18 -0.284 -1.592 -0.769 1.00 0.00 C ATOM 269 CG1 ILE A 18 -1.033 -0.484 -1.565 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.649 -1.405 0.724 1.00 0.00 C ATOM 271 CD1 ILE A 18 -0.459 0.924 -1.494 1.00 0.00 C ATOM 0 HA ILE A 18 1.654 -0.694 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.616 -2.571 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.067 -0.784 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.063 -0.449 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.733 -1.361 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.261 -2.244 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.210 -0.478 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.073 1.598 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.451 1.262 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.559 0.922 -1.882 1.00 0.00 H new ATOM 283 N LYS A 19 2.510 -2.236 0.978 1.00 0.00 N ATOM 284 CA LYS A 19 3.489 -2.970 1.820 1.00 0.00 C ATOM 285 C LYS A 19 3.336 -2.517 3.299 1.00 0.00 C ATOM 286 O LYS A 19 4.131 -1.720 3.798 1.00 0.00 O ATOM 287 CB LYS A 19 4.926 -2.830 1.226 1.00 0.00 C ATOM 288 CG LYS A 19 5.392 -1.420 0.808 1.00 0.00 C ATOM 289 CD LYS A 19 6.785 -1.347 0.174 1.00 0.00 C ATOM 290 CE LYS A 19 7.035 -2.136 -1.121 1.00 0.00 C ATOM 291 NZ LYS A 19 6.256 -1.615 -2.279 1.00 0.00 N ATOM 0 H LYS A 19 2.261 -1.319 1.349 1.00 0.00 H new ATOM 0 HA LYS A 19 3.290 -4.042 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.633 -3.213 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.993 -3.479 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.669 -1.012 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.378 -0.776 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.005 -0.299 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.507 -1.688 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.098 -2.103 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.777 -3.182 -0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.516 -2.142 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.239 -1.733 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.469 -0.606 -2.415 1.00 0.00 H new ATOM 305 N GLN A 20 2.284 -2.994 3.993 1.00 0.00 N ATOM 306 CA GLN A 20 1.725 -2.280 5.183 1.00 0.00 C ATOM 307 C GLN A 20 2.648 -1.998 6.404 1.00 0.00 C ATOM 308 O GLN A 20 2.586 -0.882 6.923 1.00 0.00 O ATOM 309 CB GLN A 20 0.388 -2.959 5.565 1.00 0.00 C ATOM 310 CG GLN A 20 -0.479 -2.235 6.621 1.00 0.00 C ATOM 311 CD GLN A 20 -0.972 -0.845 6.245 1.00 0.00 C ATOM 312 OE1 GLN A 20 -2.044 -0.661 5.681 1.00 0.00 O ATOM 313 NE2 GLN A 20 -0.235 0.195 6.556 1.00 0.00 N ATOM 0 H GLN A 20 1.800 -3.862 3.762 1.00 0.00 H new ATOM 0 HA GLN A 20 1.581 -1.251 4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.206 -3.076 4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.608 -3.961 5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.346 -2.859 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.097 -2.157 7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.661 0.063 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.558 1.135 6.328 1.00 0.00 H new ATOM 322 N ASN A 21 3.502 -2.934 6.841 1.00 0.00 N ATOM 323 CA ASN A 21 4.571 -2.642 7.846 1.00 0.00 C ATOM 324 C ASN A 21 5.586 -1.543 7.402 1.00 0.00 C ATOM 325 O ASN A 21 5.820 -0.610 8.170 1.00 0.00 O ATOM 326 CB ASN A 21 5.242 -3.983 8.231 1.00 0.00 C ATOM 327 CG ASN A 21 6.332 -3.883 9.294 1.00 0.00 C ATOM 328 OD1 ASN A 21 6.081 -3.714 10.480 1.00 0.00 O ATOM 329 ND2 ASN A 21 7.585 -3.967 8.920 1.00 0.00 N ATOM 0 H ASN A 21 3.485 -3.903 6.523 1.00 0.00 H new ATOM 0 HA ASN A 21 4.111 -2.197 8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.472 -4.667 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.672 -4.426 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.330 -3.892 9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.815 -4.108 7.936 1.00 0.00 H new ATOM 336 N ALA A 22 6.144 -1.636 6.183 1.00 0.00 N ATOM 337 CA ALA A 22 6.931 -0.528 5.595 1.00 0.00 C ATOM 338 C ALA A 22 6.166 0.817 5.401 1.00 0.00 C ATOM 339 O ALA A 22 6.722 1.845 5.778 1.00 0.00 O ATOM 340 CB ALA A 22 7.569 -1.040 4.298 1.00 0.00 C ATOM 0 H ALA A 22 6.068 -2.459 5.586 1.00 0.00 H new ATOM 0 HA ALA A 22 7.697 -0.250 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.156 -0.243 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.218 -1.887 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.787 -1.355 3.607 1.00 0.00 H new ATOM 346 N VAL A 23 4.916 0.831 4.894 1.00 0.00 N ATOM 347 CA VAL A 23 4.106 2.085 4.783 1.00 0.00 C ATOM 348 C VAL A 23 3.680 2.713 6.156 1.00 0.00 C ATOM 349 O VAL A 23 3.733 3.938 6.289 1.00 0.00 O ATOM 350 CB VAL A 23 2.884 1.959 3.812 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.277 3.359 3.513 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.221 1.341 2.442 1.00 0.00 C ATOM 0 H VAL A 23 4.438 -0.003 4.553 1.00 0.00 H new ATOM 0 HA VAL A 23 4.803 2.792 4.334 1.00 0.00 H new ATOM 0 HB VAL A 23 2.192 1.300 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.429 3.251 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.943 3.817 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.033 3.992 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.318 1.291 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.965 1.958 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.619 0.336 2.584 1.00 0.00 H new ATOM 362 N GLU A 24 3.296 1.910 7.159 1.00 0.00 N ATOM 363 CA GLU A 24 3.164 2.394 8.561 1.00 0.00 C ATOM 364 C GLU A 24 4.489 2.953 9.171 1.00 0.00 C ATOM 365 O GLU A 24 4.495 4.080 9.677 1.00 0.00 O ATOM 366 CB GLU A 24 2.546 1.234 9.376 1.00 0.00 C ATOM 367 CG GLU A 24 2.022 1.559 10.782 1.00 0.00 C ATOM 368 CD GLU A 24 3.019 1.890 11.869 1.00 0.00 C ATOM 369 OE1 GLU A 24 4.083 1.245 11.953 1.00 0.00 O ATOM 370 OE2 GLU A 24 2.739 2.811 12.665 1.00 0.00 O ATOM 0 H GLU A 24 3.070 0.923 7.036 1.00 0.00 H new ATOM 0 HA GLU A 24 2.511 3.266 8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.722 0.818 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.298 0.450 9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.338 2.403 10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.434 0.706 11.121 1.00 0.00 H new ATOM 377 N GLN A 25 5.584 2.183 9.114 1.00 0.00 N ATOM 378 CA GLN A 25 6.870 2.562 9.747 1.00 0.00 C ATOM 379 C GLN A 25 7.700 3.661 9.017 1.00 0.00 C ATOM 380 O GLN A 25 8.429 4.371 9.714 1.00 0.00 O ATOM 381 CB GLN A 25 7.654 1.246 9.968 1.00 0.00 C ATOM 382 CG GLN A 25 8.874 1.314 10.909 1.00 0.00 C ATOM 383 CD GLN A 25 8.546 1.535 12.380 1.00 0.00 C ATOM 384 OE1 GLN A 25 7.864 0.743 13.025 1.00 0.00 O ATOM 385 NE2 GLN A 25 9.033 2.596 12.976 1.00 0.00 N ATOM 0 H GLN A 25 5.612 1.284 8.633 1.00 0.00 H new ATOM 0 HA GLN A 25 6.655 3.064 10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.963 0.500 10.361 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.993 0.885 8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.438 0.386 10.814 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.527 2.120 10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.601 3.261 12.450 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.844 2.757 13.965 1.00 0.00 H new ATOM 394 N LEU A 26 7.591 3.833 7.679 1.00 0.00 N ATOM 395 CA LEU A 26 8.408 4.814 6.908 1.00 0.00 C ATOM 396 C LEU A 26 8.420 6.293 7.377 1.00 0.00 C ATOM 397 O LEU A 26 9.493 6.895 7.391 1.00 0.00 O ATOM 398 CB LEU A 26 8.249 4.614 5.375 1.00 0.00 C ATOM 399 CG LEU A 26 6.903 4.897 4.684 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.646 6.371 4.365 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.837 4.151 3.327 1.00 0.00 C ATOM 0 H LEU A 26 6.940 3.302 7.101 1.00 0.00 H new ATOM 0 HA LEU A 26 9.431 4.548 7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.997 5.241 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.511 3.579 5.157 1.00 0.00 H new ATOM 0 HG LEU A 26 6.154 4.560 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.675 6.474 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.654 6.950 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.426 6.740 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.881 4.357 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.649 4.492 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.935 3.079 3.496 1.00 0.00 H new ATOM 413 N GLN A 27 7.265 6.859 7.785 1.00 0.00 N ATOM 414 CA GLN A 27 7.186 8.142 8.551 1.00 0.00 C ATOM 415 C GLN A 27 8.091 9.314 8.067 1.00 0.00 C ATOM 416 O GLN A 27 8.859 9.883 8.839 1.00 0.00 O ATOM 417 CB GLN A 27 7.315 7.759 10.051 1.00 0.00 C ATOM 418 CG GLN A 27 6.082 6.993 10.589 1.00 0.00 C ATOM 419 CD GLN A 27 6.183 6.412 11.988 1.00 0.00 C ATOM 420 OE1 GLN A 27 5.319 6.635 12.830 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.144 5.560 12.259 1.00 0.00 N ATOM 0 H GLN A 27 6.352 6.445 7.597 1.00 0.00 H new ATOM 0 HA GLN A 27 6.223 8.615 8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.205 7.145 10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.459 8.665 10.640 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.227 7.669 10.565 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.863 6.178 9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.866 5.368 11.565 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.168 5.089 13.164 1.00 0.00 H new ATOM 430 N VAL A 28 8.027 9.614 6.754 1.00 0.00 N ATOM 431 CA VAL A 28 9.147 10.309 6.058 1.00 0.00 C ATOM 432 C VAL A 28 8.981 11.862 6.109 1.00 0.00 C ATOM 433 O VAL A 28 8.130 12.441 5.435 1.00 0.00 O ATOM 434 CB VAL A 28 9.302 9.766 4.589 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.377 10.533 3.784 1.00 0.00 C ATOM 436 CG2 VAL A 28 9.750 8.288 4.536 1.00 0.00 C ATOM 0 H VAL A 28 7.230 9.394 6.157 1.00 0.00 H new ATOM 0 HA VAL A 28 10.073 10.086 6.587 1.00 0.00 H new ATOM 0 HB VAL A 28 8.307 9.896 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.443 10.118 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.104 11.587 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.342 10.435 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.839 7.972 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.715 8.182 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.012 7.666 5.043 1.00 0.00 H new ATOM 446 N GLY A 29 9.913 12.524 6.798 1.00 0.00 N ATOM 447 CA GLY A 29 10.130 13.984 6.668 1.00 0.00 C ATOM 448 C GLY A 29 11.334 14.324 5.773 1.00 0.00 C ATOM 449 O GLY A 29 12.341 14.848 6.251 1.00 0.00 O ATOM 0 H GLY A 29 10.542 12.073 7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.233 14.446 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.284 14.415 7.657 1.00 0.00 H new ATOM 453 N GLN A 30 11.207 13.983 4.482 1.00 0.00 N ATOM 454 CA GLN A 30 12.298 14.123 3.492 1.00 0.00 C ATOM 455 C GLN A 30 11.756 14.396 2.063 1.00 0.00 C ATOM 456 O GLN A 30 12.066 15.459 1.526 1.00 0.00 O ATOM 457 CB GLN A 30 13.262 12.908 3.580 1.00 0.00 C ATOM 458 CG GLN A 30 14.545 13.069 2.740 1.00 0.00 C ATOM 459 CD GLN A 30 15.576 11.973 2.962 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.427 10.835 2.521 1.00 0.00 O ATOM 461 NE2 GLN A 30 16.670 12.278 3.619 1.00 0.00 N ATOM 0 H GLN A 30 10.346 13.602 4.089 1.00 0.00 H new ATOM 0 HA GLN A 30 12.886 15.007 3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.539 12.751 4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.734 12.013 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.275 13.090 1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.999 14.032 2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.798 13.221 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.392 11.572 3.762 1.00 0.00 H new ATOM 470 N SER A 31 11.037 13.445 1.422 1.00 0.00 N ATOM 471 CA SER A 31 10.862 13.458 -0.054 1.00 0.00 C ATOM 472 C SER A 31 9.599 12.697 -0.566 1.00 0.00 C ATOM 473 O SER A 31 9.377 11.518 -0.267 1.00 0.00 O ATOM 474 CB SER A 31 12.145 12.873 -0.707 1.00 0.00 C ATOM 475 OG SER A 31 12.071 12.886 -2.130 1.00 0.00 O ATOM 0 H SER A 31 10.574 12.668 1.894 1.00 0.00 H new ATOM 0 HA SER A 31 10.702 14.496 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.012 13.449 -0.383 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.295 11.850 -0.361 1.00 0.00 H new ATOM 0 HG SER A 31 12.324 13.772 -2.463 1.00 0.00 H new ATOM 481 N LYS A 32 8.853 13.384 -1.445 1.00 0.00 N ATOM 482 CA LYS A 32 7.745 12.808 -2.247 1.00 0.00 C ATOM 483 C LYS A 32 8.136 11.662 -3.218 1.00 0.00 C ATOM 484 O LYS A 32 7.523 10.596 -3.195 1.00 0.00 O ATOM 485 CB LYS A 32 6.963 13.954 -2.956 1.00 0.00 C ATOM 486 CG LYS A 32 7.691 14.763 -4.040 1.00 0.00 C ATOM 487 CD LYS A 32 6.804 15.873 -4.631 1.00 0.00 C ATOM 488 CE LYS A 32 7.560 16.795 -5.610 1.00 0.00 C ATOM 489 NZ LYS A 32 8.504 17.681 -4.873 1.00 0.00 N ATOM 0 H LYS A 32 9.001 14.377 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 32 7.092 12.301 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.071 13.520 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.626 14.652 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.592 15.207 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.011 14.093 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.959 15.418 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.394 16.473 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.108 16.193 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.848 17.400 -6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.472 18.637 -5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.230 17.723 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.469 17.302 -4.953 1.00 0.00 H new ATOM 503 N GLN A 33 9.176 11.886 -4.028 1.00 0.00 N ATOM 504 CA GLN A 33 9.745 10.870 -4.944 1.00 0.00 C ATOM 505 C GLN A 33 10.399 9.614 -4.304 1.00 0.00 C ATOM 506 O GLN A 33 10.430 8.576 -4.963 1.00 0.00 O ATOM 507 CB GLN A 33 10.641 11.599 -5.979 1.00 0.00 C ATOM 508 CG GLN A 33 11.877 12.344 -5.435 1.00 0.00 C ATOM 509 CD GLN A 33 12.520 13.273 -6.457 1.00 0.00 C ATOM 510 OE1 GLN A 33 13.224 12.844 -7.364 1.00 0.00 O ATOM 511 NE2 GLN A 33 12.318 14.567 -6.355 1.00 0.00 N ATOM 0 H GLN A 33 9.657 12.784 -4.073 1.00 0.00 H new ATOM 0 HA GLN A 33 8.901 10.393 -5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.982 10.864 -6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.022 12.317 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.586 12.924 -4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.615 11.614 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.734 14.934 -5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.745 15.204 -7.027 1.00 0.00 H new ATOM 520 N GLN A 34 10.839 9.660 -3.035 1.00 0.00 N ATOM 521 CA GLN A 34 11.202 8.441 -2.268 1.00 0.00 C ATOM 522 C GLN A 34 9.969 7.575 -1.842 1.00 0.00 C ATOM 523 O GLN A 34 9.933 6.395 -2.198 1.00 0.00 O ATOM 524 CB GLN A 34 12.077 8.816 -1.047 1.00 0.00 C ATOM 525 CG GLN A 34 13.454 9.439 -1.364 1.00 0.00 C ATOM 526 CD GLN A 34 14.510 8.478 -1.880 1.00 0.00 C ATOM 527 OE1 GLN A 34 15.226 7.846 -1.109 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.665 8.344 -3.175 1.00 0.00 N ATOM 0 H GLN A 34 10.954 10.528 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 34 11.780 7.809 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.518 9.517 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.236 7.918 -0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.314 10.227 -2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.833 9.915 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.071 8.869 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.380 7.715 -3.541 1.00 0.00 H new ATOM 537 N VAL A 35 8.960 8.133 -1.141 1.00 0.00 N ATOM 538 CA VAL A 35 7.692 7.387 -0.836 1.00 0.00 C ATOM 539 C VAL A 35 6.871 6.919 -2.084 1.00 0.00 C ATOM 540 O VAL A 35 6.423 5.771 -2.124 1.00 0.00 O ATOM 541 CB VAL A 35 6.870 8.165 0.239 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.143 9.423 -0.259 1.00 0.00 C ATOM 543 CG2 VAL A 35 5.834 7.265 0.939 1.00 0.00 C ATOM 0 H VAL A 35 8.984 9.084 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 35 7.978 6.427 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 35 7.642 8.494 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.605 9.884 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.871 10.130 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.437 9.149 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.286 7.849 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.137 6.869 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.345 6.439 1.434 1.00 0.00 H new ATOM 553 N SER A 36 6.727 7.784 -3.097 1.00 0.00 N ATOM 554 CA SER A 36 6.062 7.448 -4.380 1.00 0.00 C ATOM 555 C SER A 36 6.806 6.434 -5.289 1.00 0.00 C ATOM 556 O SER A 36 6.134 5.616 -5.916 1.00 0.00 O ATOM 557 CB SER A 36 5.772 8.806 -5.073 1.00 0.00 C ATOM 558 OG SER A 36 4.689 8.748 -5.998 1.00 0.00 O ATOM 0 H SER A 36 7.068 8.744 -3.057 1.00 0.00 H new ATOM 0 HA SER A 36 5.146 6.894 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.551 9.554 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.669 9.138 -5.595 1.00 0.00 H new ATOM 0 HG SER A 36 4.767 7.937 -6.542 1.00 0.00 H new ATOM 564 N ALA A 37 8.151 6.404 -5.319 1.00 0.00 N ATOM 565 CA ALA A 37 8.907 5.256 -5.886 1.00 0.00 C ATOM 566 C ALA A 37 8.800 3.908 -5.100 1.00 0.00 C ATOM 567 O ALA A 37 8.603 2.871 -5.736 1.00 0.00 O ATOM 568 CB ALA A 37 10.371 5.690 -6.034 1.00 0.00 C ATOM 0 H ALA A 37 8.741 7.155 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 37 8.447 5.021 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.954 4.868 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.430 6.550 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.771 5.961 -5.057 1.00 0.00 H new ATOM 574 N LEU A 38 8.891 3.917 -3.756 1.00 0.00 N ATOM 575 CA LEU A 38 8.653 2.704 -2.918 1.00 0.00 C ATOM 576 C LEU A 38 7.215 2.083 -3.020 1.00 0.00 C ATOM 577 O LEU A 38 7.087 0.860 -3.131 1.00 0.00 O ATOM 578 CB LEU A 38 9.026 3.006 -1.439 1.00 0.00 C ATOM 579 CG LEU A 38 10.470 2.654 -1.011 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.558 3.452 -1.732 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.613 2.889 0.508 1.00 0.00 C ATOM 0 H LEU A 38 9.128 4.750 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 38 9.305 1.933 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.864 4.068 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.336 2.462 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 38 10.620 1.610 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.538 3.140 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.492 3.270 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.420 4.515 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.628 2.644 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.406 3.935 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.906 2.255 1.042 1.00 0.00 H new ATOM 593 N LEU A 39 6.167 2.909 -3.006 1.00 0.00 N ATOM 594 CA LEU A 39 4.790 2.489 -3.380 1.00 0.00 C ATOM 595 C LEU A 39 4.553 2.134 -4.889 1.00 0.00 C ATOM 596 O LEU A 39 3.780 1.216 -5.170 1.00 0.00 O ATOM 597 CB LEU A 39 3.848 3.644 -2.936 1.00 0.00 C ATOM 598 CG LEU A 39 3.630 3.710 -1.406 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.076 5.071 -0.981 1.00 0.00 C ATOM 600 CD2 LEU A 39 2.637 2.640 -0.935 1.00 0.00 C ATOM 0 H LEU A 39 6.236 3.890 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 39 4.590 1.543 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.264 4.592 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.883 3.524 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 39 4.606 3.542 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.934 5.085 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.779 5.855 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.120 5.245 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.507 2.714 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.677 2.793 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.021 1.651 -1.187 1.00 0.00 H new ATOM 612 N GLY A 40 5.183 2.864 -5.818 1.00 0.00 N ATOM 613 CA GLY A 40 5.077 2.619 -7.273 1.00 0.00 C ATOM 614 C GLY A 40 4.121 3.572 -8.002 1.00 0.00 C ATOM 615 O GLY A 40 3.037 3.158 -8.418 1.00 0.00 O ATOM 0 H GLY A 40 5.788 3.651 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.068 2.706 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.744 1.594 -7.434 1.00 0.00 H new ATOM 619 N THR A 41 4.493 4.856 -8.119 1.00 0.00 N ATOM 620 CA THR A 41 3.618 5.927 -8.693 1.00 0.00 C ATOM 621 C THR A 41 4.457 7.237 -8.937 1.00 0.00 C ATOM 622 O THR A 41 5.256 7.595 -8.064 1.00 0.00 O ATOM 623 CB THR A 41 2.413 6.229 -7.743 1.00 0.00 C ATOM 624 OG1 THR A 41 1.584 5.080 -7.657 1.00 0.00 O ATOM 625 CG2 THR A 41 1.465 7.332 -8.182 1.00 0.00 C ATOM 0 H THR A 41 5.408 5.196 -7.822 1.00 0.00 H new ATOM 0 HA THR A 41 3.223 5.574 -9.646 1.00 0.00 H new ATOM 0 HB THR A 41 2.898 6.536 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.916 4.391 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.673 7.447 -7.442 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.014 8.269 -8.273 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.027 7.073 -9.146 1.00 0.00 H new ATOM 633 N PRO A 42 4.249 8.035 -10.015 1.00 0.00 N ATOM 634 CA PRO A 42 4.745 9.448 -10.080 1.00 0.00 C ATOM 635 C PRO A 42 3.812 10.462 -9.349 1.00 0.00 C ATOM 636 O PRO A 42 2.610 10.545 -9.629 1.00 0.00 O ATOM 637 CB PRO A 42 4.791 9.675 -11.616 1.00 0.00 C ATOM 638 CG PRO A 42 3.605 8.842 -12.160 1.00 0.00 C ATOM 639 CD PRO A 42 3.582 7.593 -11.260 1.00 0.00 C ATOM 0 HA PRO A 42 5.698 9.603 -9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.684 10.731 -11.866 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.739 9.342 -12.039 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.668 9.395 -12.099 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.751 8.577 -13.207 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.563 7.258 -11.069 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.111 6.759 -11.721 1.00 0.00 H new ATOM 647 N SER A 43 4.372 11.258 -8.427 1.00 0.00 N ATOM 648 CA SER A 43 3.611 12.332 -7.721 1.00 0.00 C ATOM 649 C SER A 43 3.474 13.635 -8.586 1.00 0.00 C ATOM 650 O SER A 43 3.253 13.539 -9.796 1.00 0.00 O ATOM 651 CB SER A 43 4.235 12.473 -6.312 1.00 0.00 C ATOM 652 OG SER A 43 3.931 11.341 -5.498 1.00 0.00 O ATOM 0 H SER A 43 5.349 11.189 -8.143 1.00 0.00 H new ATOM 0 HA SER A 43 2.562 12.075 -7.577 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.316 12.582 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.861 13.379 -5.835 1.00 0.00 H new ATOM 0 HG SER A 43 4.204 10.522 -5.962 1.00 0.00 H new ATOM 658 N ILE A 44 3.527 14.839 -7.993 1.00 0.00 N ATOM 659 CA ILE A 44 3.231 16.115 -8.708 1.00 0.00 C ATOM 660 C ILE A 44 4.496 17.035 -8.559 1.00 0.00 C ATOM 661 O ILE A 44 4.639 17.670 -7.509 1.00 0.00 O ATOM 662 CB ILE A 44 1.913 16.822 -8.204 1.00 0.00 C ATOM 663 CG1 ILE A 44 0.669 15.890 -8.288 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.646 18.101 -9.046 1.00 0.00 C ATOM 665 CD1 ILE A 44 -0.604 16.492 -7.692 1.00 0.00 C ATOM 0 H ILE A 44 3.773 14.967 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 44 3.033 15.905 -9.759 1.00 0.00 H new ATOM 0 HB ILE A 44 2.069 17.078 -7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.485 15.641 -9.333 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.893 14.956 -7.772 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.735 18.585 -8.694 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.486 18.788 -8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.530 17.828 -10.095 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.424 15.780 -7.790 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.442 16.715 -6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.855 17.410 -8.223 1.00 0.00 H new ATOM 677 N PRO A 45 5.409 17.160 -9.558 1.00 0.00 N ATOM 678 CA PRO A 45 6.586 18.082 -9.458 1.00 0.00 C ATOM 679 C PRO A 45 6.298 19.557 -9.857 1.00 0.00 C ATOM 680 O PRO A 45 6.749 20.043 -10.898 1.00 0.00 O ATOM 681 CB PRO A 45 7.618 17.345 -10.355 1.00 0.00 C ATOM 682 CG PRO A 45 6.761 16.670 -11.452 1.00 0.00 C ATOM 683 CD PRO A 45 5.497 16.225 -10.701 1.00 0.00 C ATOM 0 HA PRO A 45 6.933 18.242 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.339 18.040 -10.785 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.186 16.609 -9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.524 17.363 -12.259 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.279 15.823 -11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.613 16.287 -11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.576 15.191 -10.365 1.00 0.00 H new ATOM 691 N ASP A 46 5.615 20.286 -8.962 1.00 0.00 N ATOM 692 CA ASP A 46 5.472 21.758 -9.058 1.00 0.00 C ATOM 693 C ASP A 46 6.705 22.425 -8.331 1.00 0.00 C ATOM 694 O ASP A 46 6.839 22.242 -7.114 1.00 0.00 O ATOM 695 CB ASP A 46 4.164 22.336 -8.470 1.00 0.00 C ATOM 696 CG ASP A 46 2.845 21.631 -8.737 1.00 0.00 C ATOM 697 OD1 ASP A 46 2.415 21.569 -9.906 1.00 0.00 O ATOM 698 OD2 ASP A 46 2.201 21.163 -7.766 1.00 0.00 O ATOM 0 H ASP A 46 5.146 19.880 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 46 5.435 21.990 -10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.290 22.393 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.067 23.359 -8.834 1.00 0.00 H new ATOM 703 N PRO A 47 7.612 23.192 -8.988 1.00 0.00 N ATOM 704 CA PRO A 47 8.780 23.824 -8.285 1.00 0.00 C ATOM 705 C PRO A 47 8.503 24.969 -7.271 1.00 0.00 C ATOM 706 O PRO A 47 9.399 25.286 -6.487 1.00 0.00 O ATOM 707 CB PRO A 47 9.679 24.254 -9.473 1.00 0.00 C ATOM 708 CG PRO A 47 8.697 24.490 -10.644 1.00 0.00 C ATOM 709 CD PRO A 47 7.625 23.405 -10.448 1.00 0.00 C ATOM 0 HA PRO A 47 9.229 23.115 -7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.240 25.159 -9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.408 23.482 -9.717 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.265 25.490 -10.608 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.194 24.392 -11.609 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.652 23.732 -10.814 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.877 22.490 -10.985 1.00 0.00 H new ATOM 717 N PHE A 48 7.288 25.543 -7.245 1.00 0.00 N ATOM 718 CA PHE A 48 6.865 26.492 -6.179 1.00 0.00 C ATOM 719 C PHE A 48 6.272 25.734 -4.950 1.00 0.00 C ATOM 720 O PHE A 48 6.974 25.559 -3.951 1.00 0.00 O ATOM 721 CB PHE A 48 5.955 27.537 -6.867 1.00 0.00 C ATOM 722 CG PHE A 48 5.590 28.742 -5.988 1.00 0.00 C ATOM 723 CD1 PHE A 48 6.478 29.820 -5.849 1.00 0.00 C ATOM 724 CD2 PHE A 48 4.363 28.787 -5.305 1.00 0.00 C ATOM 725 CE1 PHE A 48 6.151 30.912 -5.042 1.00 0.00 C ATOM 726 CE2 PHE A 48 4.038 29.878 -4.498 1.00 0.00 C ATOM 727 CZ PHE A 48 4.932 30.939 -4.368 1.00 0.00 C ATOM 0 H PHE A 48 6.572 25.370 -7.951 1.00 0.00 H new ATOM 0 HA PHE A 48 7.695 27.035 -5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.453 27.898 -7.767 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.036 27.045 -7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.423 29.805 -6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.665 27.969 -5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.843 31.735 -4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.094 29.900 -3.974 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.680 31.783 -3.744 1.00 0.00 H new ATOM 737 N HIS A 49 5.022 25.257 -5.038 1.00 0.00 N ATOM 738 CA HIS A 49 4.415 24.354 -4.029 1.00 0.00 C ATOM 739 C HIS A 49 3.968 23.065 -4.763 1.00 0.00 C ATOM 740 O HIS A 49 2.902 23.048 -5.386 1.00 0.00 O ATOM 741 CB HIS A 49 3.264 25.113 -3.319 1.00 0.00 C ATOM 742 CG HIS A 49 2.342 24.245 -2.446 1.00 0.00 C ATOM 743 ND1 HIS A 49 2.734 23.623 -1.276 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.092 23.735 -2.856 1.00 0.00 C ATOM 745 CE1 HIS A 49 1.685 22.760 -1.102 1.00 0.00 C ATOM 746 NE2 HIS A 49 0.631 22.769 -1.980 1.00 0.00 N ATOM 0 H HIS A 49 4.395 25.483 -5.810 1.00 0.00 H new ATOM 0 HA HIS A 49 5.113 24.055 -3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.697 25.894 -2.695 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.657 25.610 -4.076 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.567 23.766 -0.705 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.563 24.058 -3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.688 22.070 -0.271 1.00 0.00 H new ATOM 754 N ALA A 50 4.748 21.981 -4.629 1.00 0.00 N ATOM 755 CA ALA A 50 4.321 20.643 -5.091 1.00 0.00 C ATOM 756 C ALA A 50 3.155 20.070 -4.249 1.00 0.00 C ATOM 757 O ALA A 50 3.287 19.779 -3.056 1.00 0.00 O ATOM 758 CB ALA A 50 5.530 19.714 -5.091 1.00 0.00 C ATOM 0 H ALA A 50 5.676 22.000 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 50 3.932 20.731 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.228 18.723 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.293 20.110 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.935 19.644 -4.081 1.00 0.00 H new ATOM 764 N GLN A 51 2.004 19.958 -4.913 1.00 0.00 N ATOM 765 CA GLN A 51 0.715 19.667 -4.241 1.00 0.00 C ATOM 766 C GLN A 51 0.566 18.178 -3.809 1.00 0.00 C ATOM 767 O GLN A 51 1.394 17.315 -4.116 1.00 0.00 O ATOM 768 CB GLN A 51 -0.409 20.086 -5.231 1.00 0.00 C ATOM 769 CG GLN A 51 -0.518 21.608 -5.458 1.00 0.00 C ATOM 770 CD GLN A 51 -1.180 21.980 -6.772 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.390 21.861 -6.954 1.00 0.00 O ATOM 772 NE2 GLN A 51 -0.409 22.408 -7.740 1.00 0.00 N ATOM 0 H GLN A 51 1.927 20.064 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 51 0.656 20.229 -3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.233 19.599 -6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.364 19.717 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.084 22.050 -4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.481 22.044 -5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.595 22.506 -7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.812 22.643 -8.647 1.00 0.00 H new ATOM 781 N ARG A 52 -0.529 17.887 -3.091 1.00 0.00 N ATOM 782 CA ARG A 52 -0.844 16.517 -2.624 1.00 0.00 C ATOM 783 C ARG A 52 -1.000 15.489 -3.794 1.00 0.00 C ATOM 784 O ARG A 52 -1.621 15.788 -4.819 1.00 0.00 O ATOM 785 CB ARG A 52 -2.105 16.595 -1.697 1.00 0.00 C ATOM 786 CG ARG A 52 -3.466 16.432 -2.395 1.00 0.00 C ATOM 787 CD ARG A 52 -4.721 16.739 -1.579 1.00 0.00 C ATOM 788 NE ARG A 52 -5.198 18.121 -1.839 1.00 0.00 N ATOM 789 CZ ARG A 52 -6.093 18.445 -2.774 1.00 0.00 C ATOM 790 NH1 ARG A 52 -6.931 17.615 -3.334 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.144 19.674 -3.198 1.00 0.00 N ATOM 0 H ARG A 52 -1.220 18.585 -2.816 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.002 16.130 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.017 15.824 -0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.095 17.556 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.472 17.076 -3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.540 15.405 -2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.506 16.026 -1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.508 16.617 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.816 18.872 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.933 16.632 -3.062 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.583 17.950 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.506 20.372 -2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.822 19.939 -3.912 1.00 0.00 H new ATOM 805 N TRP A 53 -0.530 14.263 -3.581 1.00 0.00 N ATOM 806 CA TRP A 53 -0.883 13.115 -4.487 1.00 0.00 C ATOM 807 C TRP A 53 -2.290 12.609 -4.093 1.00 0.00 C ATOM 808 O TRP A 53 -2.429 12.012 -3.031 1.00 0.00 O ATOM 809 CB TRP A 53 0.273 12.104 -4.397 1.00 0.00 C ATOM 810 CG TRP A 53 0.076 10.584 -4.713 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.008 9.912 -5.350 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.923 9.549 -4.317 1.00 0.00 C ATOM 813 NE1 TRP A 53 -0.861 8.515 -5.341 1.00 0.00 N ATOM 814 CE2 TRP A 53 0.340 8.312 -4.704 1.00 0.00 C ATOM 815 CE3 TRP A 53 2.159 9.556 -3.597 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.997 7.091 -4.397 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.764 8.347 -3.286 1.00 0.00 C ATOM 818 CH2 TRP A 53 2.201 7.130 -3.703 1.00 0.00 C ATOM 0 H TRP A 53 0.088 14.016 -2.808 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.971 13.370 -5.543 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.057 12.464 -5.063 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.665 12.165 -3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.851 10.422 -5.792 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.498 7.814 -5.719 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.615 10.489 -3.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.568 6.147 -4.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.681 8.342 -2.715 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.714 6.206 -3.480 1.00 0.00 H new ATOM 829 N ASP A 54 -3.304 12.855 -4.938 1.00 0.00 N ATOM 830 CA ASP A 54 -4.721 12.509 -4.623 1.00 0.00 C ATOM 831 C ASP A 54 -5.333 11.548 -5.709 1.00 0.00 C ATOM 832 O ASP A 54 -6.233 11.934 -6.463 1.00 0.00 O ATOM 833 CB ASP A 54 -5.486 13.858 -4.541 1.00 0.00 C ATOM 834 CG ASP A 54 -6.709 13.861 -3.635 1.00 0.00 C ATOM 835 OD1 ASP A 54 -7.134 12.792 -3.148 1.00 0.00 O ATOM 836 OD2 ASP A 54 -7.204 14.967 -3.334 1.00 0.00 O ATOM 0 H ASP A 54 -3.180 13.293 -5.851 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.797 11.965 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.796 14.627 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.799 14.141 -5.546 1.00 0.00 H new ATOM 841 N TYR A 55 -4.806 10.317 -5.851 1.00 0.00 N ATOM 842 CA TYR A 55 -5.102 9.470 -7.046 1.00 0.00 C ATOM 843 C TYR A 55 -5.996 8.236 -6.657 1.00 0.00 C ATOM 844 O TYR A 55 -5.486 7.151 -6.366 1.00 0.00 O ATOM 845 CB TYR A 55 -3.811 8.954 -7.732 1.00 0.00 C ATOM 846 CG TYR A 55 -2.772 9.904 -8.351 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.810 11.316 -8.309 1.00 0.00 C ATOM 848 CD2 TYR A 55 -1.636 9.292 -8.888 1.00 0.00 C ATOM 849 CE1 TYR A 55 -1.706 12.070 -8.720 1.00 0.00 C ATOM 850 CE2 TYR A 55 -0.544 10.049 -9.318 1.00 0.00 C ATOM 851 CZ TYR A 55 -0.568 11.433 -9.211 1.00 0.00 C ATOM 852 OH TYR A 55 0.538 12.155 -9.551 1.00 0.00 O ATOM 0 H TYR A 55 -4.182 9.883 -5.171 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.638 10.109 -7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.283 8.353 -6.992 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.128 8.277 -8.526 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.699 11.817 -7.956 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.602 8.216 -8.972 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.736 13.148 -8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.322 9.556 -9.735 1.00 0.00 H new ATOM 0 HH TYR A 55 1.288 11.546 -9.717 1.00 0.00 H new ATOM 862 N THR A 56 -7.326 8.405 -6.699 1.00 0.00 N ATOM 863 CA THR A 56 -8.273 7.306 -6.321 1.00 0.00 C ATOM 864 C THR A 56 -8.818 6.547 -7.567 1.00 0.00 C ATOM 865 O THR A 56 -9.513 7.115 -8.416 1.00 0.00 O ATOM 866 CB THR A 56 -9.349 7.852 -5.366 1.00 0.00 C ATOM 867 OG1 THR A 56 -8.705 8.165 -4.136 1.00 0.00 O ATOM 868 CG2 THR A 56 -10.441 6.881 -4.963 1.00 0.00 C ATOM 0 H THR A 56 -7.780 9.272 -6.984 1.00 0.00 H new ATOM 0 HA THR A 56 -7.737 6.535 -5.767 1.00 0.00 H new ATOM 0 HB THR A 56 -9.808 8.678 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.162 8.920 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.140 7.378 -4.290 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.973 6.542 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.997 6.024 -4.457 1.00 0.00 H new ATOM 1095 N LYS A 70 -3.239 2.073 -4.611 1.00 0.00 N ATOM 1096 CA LYS A 70 -2.818 3.281 -3.859 1.00 0.00 C ATOM 1097 C LYS A 70 -3.815 4.456 -4.071 1.00 0.00 C ATOM 1098 O LYS A 70 -3.491 5.480 -4.678 1.00 0.00 O ATOM 1099 CB LYS A 70 -1.333 3.627 -4.160 1.00 0.00 C ATOM 1100 CG LYS A 70 -0.884 3.656 -5.628 1.00 0.00 C ATOM 1101 CD LYS A 70 0.371 2.837 -5.966 1.00 0.00 C ATOM 1102 CE LYS A 70 0.477 1.367 -5.520 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.708 0.550 -5.898 1.00 0.00 N ATOM 0 HA LYS A 70 -2.857 3.072 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.123 4.605 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.708 2.905 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.706 3.295 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.704 4.693 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.488 2.856 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.226 3.366 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.370 0.924 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.604 1.331 -4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.598 -0.415 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.567 0.979 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.789 0.514 -6.934 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.005 4.322 -3.458 1.00 0.00 N ATOM 1118 CA ASN A 71 -5.981 5.442 -3.309 1.00 0.00 C ATOM 1119 C ASN A 71 -5.544 6.346 -2.107 1.00 0.00 C ATOM 1120 O ASN A 71 -6.089 6.289 -1.003 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.387 4.854 -3.051 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.023 4.076 -4.178 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -7.532 4.029 -5.299 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.137 3.434 -3.927 1.00 0.00 N ATOM 0 H ASN A 71 -5.326 3.444 -3.051 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.006 6.044 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.326 4.201 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.054 5.675 -2.787 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.593 2.897 -4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.548 3.471 -2.994 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.455 7.084 -2.311 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.545 7.457 -1.195 1.00 0.00 C ATOM 1133 C PHE A 72 -3.396 8.982 -1.201 1.00 0.00 C ATOM 1134 O PHE A 72 -2.470 9.510 -1.821 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.246 6.651 -1.450 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.172 6.720 -0.363 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.296 5.970 0.815 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.007 7.449 -0.574 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.252 5.919 1.741 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.041 7.420 0.365 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.917 6.640 1.511 1.00 0.00 C ATOM 0 H PHE A 72 -4.171 7.440 -3.224 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.898 7.212 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.517 5.605 -1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.807 6.999 -2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.209 5.426 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.117 8.039 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.351 5.321 2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.936 8.002 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.728 6.594 2.223 1.00 0.00 H new ATOM 1151 N THR A 73 -4.320 9.687 -0.521 1.00 0.00 N ATOM 1152 CA THR A 73 -4.349 11.172 -0.546 1.00 0.00 C ATOM 1153 C THR A 73 -3.286 11.737 0.432 1.00 0.00 C ATOM 1154 O THR A 73 -3.516 11.876 1.638 1.00 0.00 O ATOM 1155 CB THR A 73 -5.780 11.727 -0.338 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.639 11.224 -1.356 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.816 13.249 -0.465 1.00 0.00 C ATOM 0 H THR A 73 -5.052 9.263 0.049 1.00 0.00 H new ATOM 0 HA THR A 73 -4.071 11.524 -1.539 1.00 0.00 H new ATOM 0 HB THR A 73 -6.098 11.423 0.659 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.502 11.734 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.836 13.603 -0.313 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.162 13.692 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.476 13.539 -1.459 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.102 12.008 -0.125 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.875 12.282 0.662 1.00 0.00 C ATOM 1167 C VAL A 74 -0.353 13.708 0.390 1.00 0.00 C ATOM 1168 O VAL A 74 -0.107 14.115 -0.747 1.00 0.00 O ATOM 1169 CB VAL A 74 0.176 11.147 0.512 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.668 10.894 -0.912 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.438 11.397 1.371 1.00 0.00 C ATOM 0 H VAL A 74 -1.957 12.046 -1.134 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.123 12.270 1.723 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.380 10.272 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.397 10.084 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.176 10.618 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.134 11.799 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.142 10.576 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.907 12.333 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.156 11.459 2.422 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.182 14.445 1.484 1.00 0.00 N ATOM 1182 CA PHE A 75 0.048 15.903 1.463 1.00 0.00 C ATOM 1183 C PHE A 75 1.565 16.223 1.536 1.00 0.00 C ATOM 1184 O PHE A 75 2.281 15.716 2.408 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.691 16.503 2.691 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.220 16.528 2.542 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.845 17.624 1.937 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -3.014 15.454 2.982 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.234 17.678 1.830 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.402 15.495 2.849 1.00 0.00 C ATOM 1191 CZ PHE A 75 -5.012 16.613 2.286 1.00 0.00 C ATOM 0 H PHE A 75 -0.198 14.051 2.425 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.329 16.334 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.431 15.925 3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.335 17.520 2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.246 18.435 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.545 14.589 3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.708 18.545 1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.002 14.661 3.182 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.088 16.656 2.202 1.00 0.00 H new ATOM 1201 N PHE A 76 2.033 17.075 0.620 1.00 0.00 N ATOM 1202 CA PHE A 76 3.471 17.427 0.508 1.00 0.00 C ATOM 1203 C PHE A 76 3.695 18.956 0.725 1.00 0.00 C ATOM 1204 O PHE A 76 2.884 19.782 0.293 1.00 0.00 O ATOM 1205 CB PHE A 76 4.036 16.989 -0.872 1.00 0.00 C ATOM 1206 CG PHE A 76 3.976 15.473 -1.156 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.598 14.538 -0.308 1.00 0.00 C ATOM 1208 CD2 PHE A 76 3.286 14.999 -2.279 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.507 13.171 -0.570 1.00 0.00 C ATOM 1210 CE2 PHE A 76 3.216 13.632 -2.553 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.824 12.722 -1.695 1.00 0.00 C ATOM 0 H PHE A 76 1.440 17.543 -0.065 1.00 0.00 H new ATOM 0 HA PHE A 76 4.008 16.891 1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.485 17.511 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.074 17.315 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.151 14.882 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.802 15.701 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.967 12.461 0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.691 13.282 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.766 11.664 -1.903 1.00 0.00 H new ATOM 1221 N GLU A 77 4.813 19.328 1.370 1.00 0.00 N ATOM 1222 CA GLU A 77 5.199 20.766 1.541 1.00 0.00 C ATOM 1223 C GLU A 77 5.773 21.362 0.212 1.00 0.00 C ATOM 1224 O GLU A 77 5.118 22.160 -0.460 1.00 0.00 O ATOM 1225 CB GLU A 77 6.152 20.814 2.759 1.00 0.00 C ATOM 1226 CG GLU A 77 6.575 22.230 3.188 1.00 0.00 C ATOM 1227 CD GLU A 77 7.759 22.224 4.135 1.00 0.00 C ATOM 1228 OE1 GLU A 77 7.568 22.066 5.356 1.00 0.00 O ATOM 1229 OE2 GLU A 77 8.903 22.395 3.662 1.00 0.00 O ATOM 0 H GLU A 77 5.471 18.668 1.784 1.00 0.00 H new ATOM 0 HA GLU A 77 4.345 21.411 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.667 20.323 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.047 20.237 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.826 22.814 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.732 22.727 3.669 1.00 0.00 H new ATOM 1236 N ASN A 78 6.966 20.902 -0.186 1.00 0.00 N ATOM 1237 CA ASN A 78 7.279 20.663 -1.620 1.00 0.00 C ATOM 1238 C ASN A 78 7.840 19.211 -1.752 1.00 0.00 C ATOM 1239 O ASN A 78 7.218 18.378 -2.413 1.00 0.00 O ATOM 1240 CB ASN A 78 8.180 21.774 -2.205 1.00 0.00 C ATOM 1241 CG ASN A 78 8.328 21.700 -3.726 1.00 0.00 C ATOM 1242 OD1 ASN A 78 8.677 20.673 -4.305 1.00 0.00 O ATOM 1243 ND2 ASN A 78 8.039 22.757 -4.439 1.00 0.00 N ATOM 0 H ASN A 78 7.732 20.686 0.452 1.00 0.00 H new ATOM 0 HA ASN A 78 6.381 20.724 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.767 22.746 -1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.167 21.709 -1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.105 22.720 -5.456 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.747 23.619 -3.978 1.00 0.00 H new ATOM 1250 N GLU A 79 8.989 18.906 -1.129 1.00 0.00 N ATOM 1251 CA GLU A 79 9.465 17.513 -0.972 1.00 0.00 C ATOM 1252 C GLU A 79 8.929 16.807 0.313 1.00 0.00 C ATOM 1253 O GLU A 79 8.478 15.669 0.193 1.00 0.00 O ATOM 1254 CB GLU A 79 11.009 17.467 -1.067 1.00 0.00 C ATOM 1255 CG GLU A 79 11.594 17.421 -2.493 1.00 0.00 C ATOM 1256 CD GLU A 79 11.267 16.184 -3.317 1.00 0.00 C ATOM 1257 OE1 GLU A 79 11.539 15.046 -2.880 1.00 0.00 O ATOM 1258 OE2 GLU A 79 10.714 16.346 -4.425 1.00 0.00 O ATOM 0 H GLU A 79 9.611 19.605 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 79 9.047 16.936 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.411 18.343 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.362 16.591 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.240 18.297 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.678 17.507 -2.421 1.00 0.00 H new ATOM 1265 N GLN A 80 8.979 17.408 1.519 1.00 0.00 N ATOM 1266 CA GLN A 80 8.724 16.649 2.776 1.00 0.00 C ATOM 1267 C GLN A 80 7.236 16.281 3.028 1.00 0.00 C ATOM 1268 O GLN A 80 6.320 17.040 2.690 1.00 0.00 O ATOM 1269 CB GLN A 80 9.431 17.290 3.985 1.00 0.00 C ATOM 1270 CG GLN A 80 8.928 18.646 4.510 1.00 0.00 C ATOM 1271 CD GLN A 80 9.499 19.005 5.886 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.496 18.472 6.368 1.00 0.00 O ATOM 1273 NE2 GLN A 80 8.885 19.921 6.590 1.00 0.00 N ATOM 0 H GLN A 80 9.189 18.397 1.657 1.00 0.00 H new ATOM 0 HA GLN A 80 9.188 15.674 2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.382 16.579 4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.484 17.407 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.194 19.427 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.840 18.626 4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.055 20.381 6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.236 20.176 7.513 1.00 0.00 H new ATOM 1282 N VAL A 81 7.008 15.082 3.589 1.00 0.00 N ATOM 1283 CA VAL A 81 5.658 14.458 3.620 1.00 0.00 C ATOM 1284 C VAL A 81 4.931 14.798 4.960 1.00 0.00 C ATOM 1285 O VAL A 81 5.477 14.589 6.048 1.00 0.00 O ATOM 1286 CB VAL A 81 5.711 12.900 3.408 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.309 12.372 3.039 1.00 0.00 C ATOM 1288 CG2 VAL A 81 6.710 12.406 2.346 1.00 0.00 C ATOM 0 H VAL A 81 7.736 14.519 4.029 1.00 0.00 H new ATOM 0 HA VAL A 81 5.094 14.877 2.787 1.00 0.00 H new ATOM 0 HB VAL A 81 6.063 12.507 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.353 11.293 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.610 12.601 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.971 12.848 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.665 11.319 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.455 12.838 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.718 12.711 2.625 1.00 0.00 H new ATOM 1298 N VAL A 82 3.689 15.286 4.862 1.00 0.00 N ATOM 1299 CA VAL A 82 2.887 15.696 6.052 1.00 0.00 C ATOM 1300 C VAL A 82 2.028 14.493 6.573 1.00 0.00 C ATOM 1301 O VAL A 82 2.281 14.012 7.679 1.00 0.00 O ATOM 1302 CB VAL A 82 2.074 16.999 5.739 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.252 17.494 6.950 1.00 0.00 C ATOM 1304 CG2 VAL A 82 2.968 18.186 5.298 1.00 0.00 C ATOM 0 H VAL A 82 3.204 15.412 3.974 1.00 0.00 H new ATOM 0 HA VAL A 82 3.546 15.959 6.879 1.00 0.00 H new ATOM 0 HB VAL A 82 1.416 16.701 4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.709 18.399 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.543 16.722 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.923 17.711 7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.344 19.057 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.676 18.423 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.514 17.914 4.395 1.00 0.00 H new ATOM 1314 N ARG A 83 1.017 14.037 5.814 1.00 0.00 N ATOM 1315 CA ARG A 83 0.087 12.948 6.245 1.00 0.00 C ATOM 1316 C ARG A 83 -0.562 12.241 5.017 1.00 0.00 C ATOM 1317 O ARG A 83 -0.661 12.833 3.937 1.00 0.00 O ATOM 1318 CB ARG A 83 -0.927 13.464 7.295 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.914 14.573 6.881 1.00 0.00 C ATOM 1320 CD ARG A 83 -3.235 14.086 6.275 1.00 0.00 C ATOM 1321 NE ARG A 83 -4.088 13.413 7.284 1.00 0.00 N ATOM 1322 CZ ARG A 83 -5.045 13.988 8.010 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -5.333 15.264 7.950 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -5.736 13.256 8.831 1.00 0.00 N ATOM 0 H ARG A 83 0.811 14.404 4.885 1.00 0.00 H new ATOM 0 HA ARG A 83 0.661 12.172 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.512 12.611 7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.360 13.828 8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.138 15.181 7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.421 15.224 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.774 14.933 5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.027 13.397 5.457 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.927 12.417 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.812 15.875 7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.078 15.647 8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.542 12.258 8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.473 13.679 9.395 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.985 10.977 5.182 1.00 0.00 N ATOM 1339 CA TRP A 84 -1.391 10.098 4.054 1.00 0.00 C ATOM 1340 C TRP A 84 -2.737 9.367 4.289 1.00 0.00 C ATOM 1341 O TRP A 84 -2.779 8.263 4.845 1.00 0.00 O ATOM 1342 CB TRP A 84 -0.286 9.113 3.650 1.00 0.00 C ATOM 1343 CG TRP A 84 0.489 8.282 4.697 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.200 6.974 5.182 1.00 0.00 C ATOM 1345 CD2 TRP A 84 1.763 8.566 5.171 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.272 6.444 5.927 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.232 7.437 5.895 1.00 0.00 C ATOM 1348 CE3 TRP A 84 2.627 9.689 4.950 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 3.574 7.411 6.370 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 3.921 9.643 5.441 1.00 0.00 C ATOM 1351 CH2 TRP A 84 4.391 8.513 6.131 1.00 0.00 C ATOM 0 H TRP A 84 -1.058 10.529 6.096 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.553 10.775 3.215 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.735 8.404 2.955 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.455 9.683 3.090 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.728 6.452 5.001 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.327 5.534 6.385 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.275 10.555 4.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.951 6.552 6.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.578 10.487 5.291 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.411 8.499 6.485 1.00 0.00 H new ATOM 1362 N GLU A 85 -3.832 9.982 3.826 1.00 0.00 N ATOM 1363 CA GLU A 85 -5.201 9.540 4.193 1.00 0.00 C ATOM 1364 C GLU A 85 -6.212 9.714 3.029 1.00 0.00 C ATOM 1365 O GLU A 85 -6.895 10.734 2.914 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.630 10.234 5.513 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.188 9.450 6.773 1.00 0.00 C ATOM 1368 CD GLU A 85 -4.893 10.318 7.962 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -3.777 10.874 8.047 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -5.800 10.540 8.785 1.00 0.00 O ATOM 0 H GLU A 85 -3.807 10.785 3.198 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.194 8.466 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.204 11.237 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.714 10.348 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.971 8.740 7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.299 8.867 6.532 1.00 0.00 H new ATOM 1377 N GLY A 86 -6.324 8.658 2.203 1.00 0.00 N ATOM 1378 CA GLY A 86 -7.495 8.447 1.330 1.00 0.00 C ATOM 1379 C GLY A 86 -8.230 7.146 1.698 1.00 0.00 C ATOM 1380 O GLY A 86 -8.798 7.050 2.787 1.00 0.00 O ATOM 0 H GLY A 86 -5.612 7.932 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.177 9.292 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.174 8.406 0.289 1.00 0.00 H new ATOM 1384 N ASP A 87 -8.233 6.163 0.790 1.00 0.00 N ATOM 1385 CA ASP A 87 -8.900 4.848 1.028 1.00 0.00 C ATOM 1386 C ASP A 87 -8.123 3.683 0.330 1.00 0.00 C ATOM 1387 O ASP A 87 -8.629 3.034 -0.593 1.00 0.00 O ATOM 1388 CB ASP A 87 -10.375 4.991 0.587 1.00 0.00 C ATOM 1389 CG ASP A 87 -11.326 3.849 0.924 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -10.934 2.882 1.615 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -12.500 3.931 0.509 1.00 0.00 O ATOM 0 H ASP A 87 -7.784 6.240 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.887 4.577 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.772 5.902 1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.390 5.133 -0.494 1.00 0.00 H new ATOM 1396 N TYR A 88 -6.884 3.401 0.778 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.014 2.375 0.135 1.00 0.00 C ATOM 1398 C TYR A 88 -6.268 0.925 0.630 1.00 0.00 C ATOM 1399 O TYR A 88 -6.839 0.710 1.710 1.00 0.00 O ATOM 1400 CB TYR A 88 -4.547 2.851 0.144 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.607 2.609 1.335 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -4.013 2.413 2.673 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -2.240 2.628 1.060 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -3.066 2.256 3.691 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.293 2.465 2.074 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.705 2.292 3.390 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.778 2.204 4.384 1.00 0.00 O ATOM 0 H TYR A 88 -6.456 3.864 1.580 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.297 2.287 -0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.069 2.403 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.568 3.928 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.066 2.384 2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.907 2.772 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.389 2.107 4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.240 2.473 1.835 1.00 0.00 H new ATOM 0 HH TYR A 88 0.046 1.809 4.029 1.00 0.00 H new ATOM 1667 N GLY A 105 -8.320 9.220 8.691 1.00 0.00 N ATOM 1668 CA GLY A 105 -9.188 9.825 7.655 1.00 0.00 C ATOM 1669 C GLY A 105 -9.474 8.917 6.441 1.00 0.00 C ATOM 1670 O GLY A 105 -8.913 9.107 5.363 1.00 0.00 O ATOM 0 HA2 GLY A 105 -10.137 10.105 8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.721 10.745 7.302 1.00 0.00 H new ATOM 1674 N ARG A 106 -10.377 7.951 6.641 1.00 0.00 N ATOM 1675 CA ARG A 106 -10.763 6.959 5.599 1.00 0.00 C ATOM 1676 C ARG A 106 -11.840 7.563 4.656 1.00 0.00 C ATOM 1677 O ARG A 106 -13.022 7.643 5.004 1.00 0.00 O ATOM 1678 CB ARG A 106 -11.195 5.698 6.382 1.00 0.00 C ATOM 1679 CG ARG A 106 -11.697 4.487 5.585 1.00 0.00 C ATOM 1680 CD ARG A 106 -10.798 3.889 4.501 1.00 0.00 C ATOM 1681 NE ARG A 106 -9.535 3.317 5.025 1.00 0.00 N ATOM 1682 CZ ARG A 106 -8.741 2.476 4.361 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -8.989 1.995 3.169 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -7.638 2.097 4.934 1.00 0.00 N ATOM 0 H ARG A 106 -10.868 7.824 7.526 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.954 6.688 4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.346 5.372 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -11.983 5.990 7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.924 3.695 6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -12.638 4.770 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.348 3.110 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.561 4.662 3.770 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.251 3.588 5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.844 2.260 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.328 1.355 2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.402 2.442 5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.008 1.454 4.453 1.00 0.00 H new ATOM 1698 N ASN A 107 -11.399 8.050 3.487 1.00 0.00 N ATOM 1699 CA ASN A 107 -12.223 8.909 2.600 1.00 0.00 C ATOM 1700 C ASN A 107 -11.815 8.677 1.114 1.00 0.00 C ATOM 1701 O ASN A 107 -10.653 8.852 0.736 1.00 0.00 O ATOM 1702 CB ASN A 107 -12.012 10.385 3.036 1.00 0.00 C ATOM 1703 CG ASN A 107 -12.995 11.369 2.423 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -12.738 11.994 1.401 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -14.153 11.541 3.012 1.00 0.00 N ATOM 0 H ASN A 107 -10.464 7.865 3.123 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.281 8.662 2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -12.087 10.444 4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.000 10.688 2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -14.833 12.192 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -14.374 11.024 3.863 1.00 0.00 H new ATOM 1712 N LEU A 108 -12.789 8.326 0.267 1.00 0.00 N ATOM 1713 CA LEU A 108 -12.538 7.997 -1.170 1.00 0.00 C ATOM 1714 C LEU A 108 -12.354 9.282 -2.049 1.00 0.00 C ATOM 1715 O LEU A 108 -13.279 9.740 -2.724 1.00 0.00 O ATOM 1716 CB LEU A 108 -13.737 7.094 -1.572 1.00 0.00 C ATOM 1717 CG LEU A 108 -13.625 6.343 -2.916 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -12.623 5.181 -2.841 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -15.004 5.771 -3.300 1.00 0.00 C ATOM 0 H LEU A 108 -13.770 8.258 0.539 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.597 7.472 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -13.886 6.357 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.633 7.714 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.275 7.056 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.575 4.679 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.637 5.567 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.946 4.471 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.926 5.240 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.341 5.082 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -15.722 6.586 -3.398 1.00 0.00 H new ATOM 1731 N ALA A 109 -11.144 9.868 -1.998 1.00 0.00 N ATOM 1732 CA ALA A 109 -10.897 11.257 -2.434 1.00 0.00 C ATOM 1733 C ALA A 109 -10.027 11.361 -3.718 1.00 0.00 C ATOM 1734 O ALA A 109 -9.074 10.608 -3.948 1.00 0.00 O ATOM 1735 CB ALA A 109 -10.181 11.946 -1.255 1.00 0.00 C ATOM 0 H ALA A 109 -10.309 9.393 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 109 -11.845 11.729 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.968 12.983 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.821 11.916 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.247 11.426 -1.043 1.00 0.00 H new ATOM 1741 N ARG A 110 -10.392 12.345 -4.537 1.00 0.00 N ATOM 1742 CA ARG A 110 -9.638 12.717 -5.767 1.00 0.00 C ATOM 1743 C ARG A 110 -9.771 14.242 -6.067 1.00 0.00 C ATOM 1744 O ARG A 110 -10.858 14.817 -5.942 1.00 0.00 O ATOM 1745 CB ARG A 110 -10.146 11.827 -6.934 1.00 0.00 C ATOM 1746 CG ARG A 110 -9.252 11.851 -8.189 1.00 0.00 C ATOM 1747 CD ARG A 110 -9.484 10.621 -9.083 1.00 0.00 C ATOM 1748 NE ARG A 110 -8.545 10.687 -10.229 1.00 0.00 N ATOM 1749 CZ ARG A 110 -8.175 9.659 -10.986 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -8.536 8.418 -10.778 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -7.399 9.901 -12.001 1.00 0.00 N ATOM 0 H ARG A 110 -11.220 12.919 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 110 -8.572 12.537 -5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -10.229 10.799 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -11.149 12.150 -7.211 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -9.452 12.758 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.205 11.889 -7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.324 9.705 -8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.514 10.600 -9.438 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.149 11.599 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.142 8.188 -9.990 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.211 7.681 -11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.094 10.855 -12.194 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.095 9.137 -12.604 1.00 0.00 H new ATOM 1765 N ASP A 111 -8.666 14.888 -6.487 1.00 0.00 N ATOM 1766 CA ASP A 111 -8.617 16.370 -6.624 1.00 0.00 C ATOM 1767 C ASP A 111 -9.403 16.953 -7.844 1.00 0.00 C ATOM 1768 O ASP A 111 -9.600 16.327 -8.890 1.00 0.00 O ATOM 1769 CB ASP A 111 -7.120 16.787 -6.672 1.00 0.00 C ATOM 1770 CG ASP A 111 -6.806 18.265 -6.437 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -7.547 18.928 -5.673 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -5.791 18.765 -6.962 1.00 0.00 O ATOM 0 H ASP A 111 -7.797 14.417 -6.738 1.00 0.00 H new ATOM 0 HA ASP A 111 -9.130 16.795 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -6.581 16.203 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -6.721 16.506 -7.646 1.00 0.00 H new ATOM 1777 N LYS A 112 -9.710 18.250 -7.695 1.00 0.00 N ATOM 1778 CA LYS A 112 -10.128 19.120 -8.832 1.00 0.00 C ATOM 1779 C LYS A 112 -8.845 19.694 -9.501 1.00 0.00 C ATOM 1780 O LYS A 112 -8.432 20.835 -9.272 1.00 0.00 O ATOM 1781 CB LYS A 112 -11.112 20.153 -8.237 1.00 0.00 C ATOM 1782 CG LYS A 112 -11.914 21.037 -9.215 1.00 0.00 C ATOM 1783 CD LYS A 112 -11.149 22.269 -9.721 1.00 0.00 C ATOM 1784 CE LYS A 112 -12.043 23.274 -10.462 1.00 0.00 C ATOM 1785 NZ LYS A 112 -11.203 24.445 -10.841 1.00 0.00 N ATOM 0 H LYS A 112 -9.680 18.733 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.654 18.610 -9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.825 19.614 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.546 20.812 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.214 20.433 -10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.828 21.368 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.676 22.768 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.349 21.944 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -12.479 22.815 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.871 23.589 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.787 25.142 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.807 24.881 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.428 24.131 -11.459 1.00 0.00 H new