USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 373 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 35 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.4!) USER MOD Single : A 37 MET CE :methyl -117:sc= -6.02 (180deg=-11.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.8) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.0028) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.0678 USER MOD Single : A 61 SER OG : rot -176:sc= -2.13 USER MOD ----------------------------------------------------------------- ATOM 250 N ARG A 19 -11.511 -3.813 5.991 1.00 0.00 N ATOM 251 CA ARG A 19 -11.536 -5.123 5.351 1.00 0.00 C ATOM 252 C ARG A 19 -10.516 -5.195 4.219 1.00 0.00 C ATOM 253 O ARG A 19 -9.860 -6.218 4.025 1.00 0.00 O ATOM 254 CB ARG A 19 -12.936 -5.423 4.810 1.00 0.00 C ATOM 255 CG ARG A 19 -13.982 -5.607 5.897 1.00 0.00 C ATOM 256 CD ARG A 19 -14.037 -7.047 6.380 1.00 0.00 C ATOM 257 NE ARG A 19 -15.321 -7.369 6.997 1.00 0.00 N ATOM 258 CZ ARG A 19 -15.666 -8.593 7.381 1.00 0.00 C ATOM 259 NH1 ARG A 19 -14.826 -9.606 7.212 1.00 0.00 N ATOM 260 NH2 ARG A 19 -16.852 -8.807 7.936 1.00 0.00 N ATOM 0 HA ARG A 19 -11.275 -5.870 6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.245 -4.609 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.895 -6.326 4.200 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -13.756 -4.949 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.960 -5.312 5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -13.860 -7.718 5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.236 -7.219 7.099 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.990 -6.612 7.141 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.913 -9.446 6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.093 -10.545 7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.501 -8.031 8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.115 -9.748 8.230 1.00 0.00 H new ATOM 274 N ARG A 20 -10.387 -4.101 3.475 1.00 0.00 N ATOM 275 CA ARG A 20 -9.448 -4.040 2.362 1.00 0.00 C ATOM 276 C ARG A 20 -8.024 -4.312 2.836 1.00 0.00 C ATOM 277 O ARG A 20 -7.232 -4.937 2.130 1.00 0.00 O ATOM 278 CB ARG A 20 -9.518 -2.672 1.682 1.00 0.00 C ATOM 279 CG ARG A 20 -10.812 -2.436 0.919 1.00 0.00 C ATOM 280 CD ARG A 20 -10.933 -0.991 0.461 1.00 0.00 C ATOM 281 NE ARG A 20 -10.179 -0.740 -0.764 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.052 0.462 -1.315 1.00 0.00 C ATOM 283 NH1 ARG A 20 -10.625 1.517 -0.753 1.00 0.00 N ATOM 284 NH2 ARG A 20 -9.349 0.611 -2.431 1.00 0.00 N ATOM 0 H ARG A 20 -10.921 -3.245 3.623 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.726 -4.810 1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.404 -1.894 2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.678 -2.574 0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.851 -3.098 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.661 -2.690 1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.983 -0.750 0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.574 -0.330 1.250 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.725 -1.531 -1.221 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.165 1.407 0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.526 2.439 -1.179 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.906 -0.198 -2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.252 1.534 -2.853 1.00 0.00 H new ATOM 298 N ILE A 21 -7.705 -3.838 4.036 1.00 0.00 N ATOM 299 CA ILE A 21 -6.377 -4.030 4.605 1.00 0.00 C ATOM 300 C ILE A 21 -6.128 -5.498 4.936 1.00 0.00 C ATOM 301 O ILE A 21 -5.108 -6.067 4.548 1.00 0.00 O ATOM 302 CB ILE A 21 -6.183 -3.188 5.880 1.00 0.00 C ATOM 303 CG1 ILE A 21 -6.442 -1.709 5.584 1.00 0.00 C ATOM 304 CG2 ILE A 21 -4.780 -3.385 6.436 1.00 0.00 C ATOM 305 CD1 ILE A 21 -6.417 -0.834 6.818 1.00 0.00 C ATOM 0 H ILE A 21 -8.348 -3.318 4.633 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.661 -3.703 3.851 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.900 -3.520 6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.692 -1.351 4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.412 -1.608 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.658 -2.784 7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.629 -4.437 6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.047 -3.076 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.608 0.201 6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.186 -1.167 7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.439 -0.905 7.295 1.00 0.00 H new ATOM 317 N GLU A 22 -7.068 -6.105 5.654 1.00 0.00 N ATOM 318 CA GLU A 22 -6.950 -7.507 6.036 1.00 0.00 C ATOM 319 C GLU A 22 -6.667 -8.381 4.818 1.00 0.00 C ATOM 320 O GLU A 22 -5.638 -9.053 4.747 1.00 0.00 O ATOM 321 CB GLU A 22 -8.230 -7.979 6.730 1.00 0.00 C ATOM 322 CG GLU A 22 -8.266 -7.668 8.217 1.00 0.00 C ATOM 323 CD GLU A 22 -7.111 -8.297 8.972 1.00 0.00 C ATOM 324 OE1 GLU A 22 -7.125 -9.533 9.154 1.00 0.00 O ATOM 325 OE2 GLU A 22 -6.195 -7.555 9.383 1.00 0.00 O ATOM 0 H GLU A 22 -7.919 -5.648 5.982 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.114 -7.599 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.088 -7.510 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.334 -9.055 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.243 -6.588 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.207 -8.025 8.636 1.00 0.00 H new ATOM 332 N VAL A 23 -7.589 -8.367 3.860 1.00 0.00 N ATOM 333 CA VAL A 23 -7.440 -9.157 2.644 1.00 0.00 C ATOM 334 C VAL A 23 -6.088 -8.905 1.987 1.00 0.00 C ATOM 335 O VAL A 23 -5.332 -9.839 1.721 1.00 0.00 O ATOM 336 CB VAL A 23 -8.557 -8.844 1.631 1.00 0.00 C ATOM 337 CG1 VAL A 23 -8.459 -9.766 0.425 1.00 0.00 C ATOM 338 CG2 VAL A 23 -9.923 -8.960 2.291 1.00 0.00 C ATOM 0 H VAL A 23 -8.447 -7.817 3.903 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.509 -10.205 2.937 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.432 -7.818 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.256 -9.530 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.493 -9.628 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.557 -10.802 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.700 -8.735 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.060 -9.974 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.988 -8.254 3.119 1.00 0.00 H new ATOM 348 N ALA A 24 -5.790 -7.636 1.728 1.00 0.00 N ATOM 349 CA ALA A 24 -4.527 -7.260 1.104 1.00 0.00 C ATOM 350 C ALA A 24 -3.343 -7.856 1.858 1.00 0.00 C ATOM 351 O ALA A 24 -2.452 -8.459 1.259 1.00 0.00 O ATOM 352 CB ALA A 24 -4.403 -5.745 1.036 1.00 0.00 C ATOM 0 H ALA A 24 -6.406 -6.851 1.941 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.517 -7.661 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.455 -5.478 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.226 -5.339 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.439 -5.331 2.044 1.00 0.00 H new ATOM 358 N LEU A 25 -3.339 -7.684 3.175 1.00 0.00 N ATOM 359 CA LEU A 25 -2.264 -8.205 4.012 1.00 0.00 C ATOM 360 C LEU A 25 -2.071 -9.701 3.782 1.00 0.00 C ATOM 361 O LEU A 25 -0.959 -10.160 3.520 1.00 0.00 O ATOM 362 CB LEU A 25 -2.565 -7.939 5.488 1.00 0.00 C ATOM 363 CG LEU A 25 -2.058 -6.609 6.047 1.00 0.00 C ATOM 364 CD1 LEU A 25 -2.474 -6.447 7.500 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.545 -6.514 5.910 1.00 0.00 C ATOM 0 H LEU A 25 -4.068 -7.188 3.687 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.342 -7.692 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.645 -7.983 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.132 -8.747 6.078 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.507 -5.801 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.104 -5.495 7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.561 -6.469 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.055 -7.261 8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.202 -5.561 6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.078 -7.330 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.270 -6.583 4.858 1.00 0.00 H new ATOM 377 N ILE A 26 -3.161 -10.454 3.881 1.00 0.00 N ATOM 378 CA ILE A 26 -3.112 -11.897 3.681 1.00 0.00 C ATOM 379 C ILE A 26 -2.492 -12.244 2.331 1.00 0.00 C ATOM 380 O ILE A 26 -1.474 -12.933 2.264 1.00 0.00 O ATOM 381 CB ILE A 26 -4.515 -12.526 3.765 1.00 0.00 C ATOM 382 CG1 ILE A 26 -5.150 -12.228 5.125 1.00 0.00 C ATOM 383 CG2 ILE A 26 -4.439 -14.026 3.527 1.00 0.00 C ATOM 384 CD1 ILE A 26 -6.655 -12.388 5.137 1.00 0.00 C ATOM 0 H ILE A 26 -4.088 -10.089 4.098 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.492 -12.305 4.479 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.141 -12.087 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.716 -12.892 5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.899 -11.209 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.439 -14.455 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.024 -14.217 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.800 -14.482 4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.037 -12.161 6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.099 -11.705 4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.914 -13.414 4.874 1.00 0.00 H new ATOM 396 N GLU A 27 -3.112 -11.761 1.259 1.00 0.00 N ATOM 397 CA GLU A 27 -2.620 -12.020 -0.089 1.00 0.00 C ATOM 398 C GLU A 27 -1.141 -11.662 -0.206 1.00 0.00 C ATOM 399 O GLU A 27 -0.345 -12.435 -0.739 1.00 0.00 O ATOM 400 CB GLU A 27 -3.431 -11.224 -1.113 1.00 0.00 C ATOM 401 CG GLU A 27 -4.930 -11.456 -1.016 1.00 0.00 C ATOM 402 CD GLU A 27 -5.603 -11.501 -2.374 1.00 0.00 C ATOM 403 OE1 GLU A 27 -5.452 -10.528 -3.142 1.00 0.00 O ATOM 404 OE2 GLU A 27 -6.280 -12.508 -2.668 1.00 0.00 O ATOM 0 H GLU A 27 -3.955 -11.189 1.298 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.736 -13.085 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.227 -10.162 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.095 -11.489 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.115 -12.393 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.379 -10.662 -0.419 1.00 0.00 H new ATOM 411 N TYR A 28 -0.782 -10.486 0.296 1.00 0.00 N ATOM 412 CA TYR A 28 0.600 -10.023 0.245 1.00 0.00 C ATOM 413 C TYR A 28 1.527 -10.997 0.965 1.00 0.00 C ATOM 414 O TYR A 28 2.540 -11.430 0.415 1.00 0.00 O ATOM 415 CB TYR A 28 0.718 -8.633 0.871 1.00 0.00 C ATOM 416 CG TYR A 28 2.019 -7.933 0.550 1.00 0.00 C ATOM 417 CD1 TYR A 28 2.470 -7.827 -0.760 1.00 0.00 C ATOM 418 CD2 TYR A 28 2.797 -7.376 1.558 1.00 0.00 C ATOM 419 CE1 TYR A 28 3.659 -7.189 -1.057 1.00 0.00 C ATOM 420 CE2 TYR A 28 3.987 -6.735 1.270 1.00 0.00 C ATOM 421 CZ TYR A 28 4.413 -6.644 -0.039 1.00 0.00 C ATOM 422 OH TYR A 28 5.597 -6.007 -0.330 1.00 0.00 O ATOM 0 H TYR A 28 -1.428 -9.836 0.743 1.00 0.00 H new ATOM 0 HA TYR A 28 0.900 -9.969 -0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.112 -8.016 0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.620 -8.721 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.881 -8.251 -1.560 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.466 -7.445 2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.996 -7.118 -2.081 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.580 -6.308 2.065 1.00 0.00 H new ATOM 0 HH TYR A 28 6.004 -5.679 0.499 1.00 0.00 H new ATOM 432 N ARG A 29 1.173 -11.338 2.200 1.00 0.00 N ATOM 433 CA ARG A 29 1.972 -12.261 2.997 1.00 0.00 C ATOM 434 C ARG A 29 2.259 -13.543 2.221 1.00 0.00 C ATOM 435 O ARG A 29 3.412 -13.949 2.080 1.00 0.00 O ATOM 436 CB ARG A 29 1.251 -12.594 4.305 1.00 0.00 C ATOM 437 CG ARG A 29 2.192 -12.940 5.448 1.00 0.00 C ATOM 438 CD ARG A 29 1.459 -13.643 6.579 1.00 0.00 C ATOM 439 NE ARG A 29 2.380 -14.301 7.502 1.00 0.00 N ATOM 440 CZ ARG A 29 2.021 -14.763 8.695 1.00 0.00 C ATOM 441 NH1 ARG A 29 0.766 -14.641 9.106 1.00 0.00 N ATOM 442 NH2 ARG A 29 2.917 -15.350 9.478 1.00 0.00 N ATOM 0 H ARG A 29 0.338 -10.989 2.670 1.00 0.00 H new ATOM 0 HA ARG A 29 2.921 -11.776 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.635 -11.743 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.576 -13.433 4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.994 -13.580 5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.658 -12.030 5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.855 -12.919 7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.773 -14.381 6.163 1.00 0.00 H new ATOM 0 HE ARG A 29 3.352 -14.412 7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.074 -14.192 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.493 -14.996 10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.883 -15.447 9.164 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.640 -15.704 10.394 1.00 0.00 H new ATOM 456 N GLU A 30 1.202 -14.174 1.720 1.00 0.00 N ATOM 457 CA GLU A 30 1.341 -15.410 0.959 1.00 0.00 C ATOM 458 C GLU A 30 2.281 -15.216 -0.228 1.00 0.00 C ATOM 459 O GLU A 30 3.173 -16.029 -0.469 1.00 0.00 O ATOM 460 CB GLU A 30 -0.026 -15.890 0.468 1.00 0.00 C ATOM 461 CG GLU A 30 -0.884 -16.506 1.561 1.00 0.00 C ATOM 462 CD GLU A 30 -0.546 -17.962 1.816 1.00 0.00 C ATOM 463 OE1 GLU A 30 -0.668 -18.772 0.873 1.00 0.00 O ATOM 464 OE2 GLU A 30 -0.161 -18.292 2.957 1.00 0.00 O ATOM 0 H GLU A 30 0.241 -13.850 1.827 1.00 0.00 H new ATOM 0 HA GLU A 30 1.768 -16.166 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.561 -15.048 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.119 -16.624 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.753 -15.940 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.935 -16.424 1.283 1.00 0.00 H new ATOM 471 N THR A 31 2.073 -14.131 -0.968 1.00 0.00 N ATOM 472 CA THR A 31 2.898 -13.829 -2.131 1.00 0.00 C ATOM 473 C THR A 31 4.375 -13.778 -1.758 1.00 0.00 C ATOM 474 O THR A 31 5.227 -14.298 -2.480 1.00 0.00 O ATOM 475 CB THR A 31 2.495 -12.488 -2.773 1.00 0.00 C ATOM 476 OG1 THR A 31 1.077 -12.442 -2.963 1.00 0.00 O ATOM 477 CG2 THR A 31 3.198 -12.295 -4.108 1.00 0.00 C ATOM 0 H THR A 31 1.340 -13.447 -0.782 1.00 0.00 H new ATOM 0 HA THR A 31 2.735 -14.631 -2.851 1.00 0.00 H new ATOM 0 HB THR A 31 2.797 -11.684 -2.102 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.650 -12.083 -2.157 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.898 -11.341 -4.543 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.277 -12.301 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.923 -13.104 -4.784 1.00 0.00 H new ATOM 485 N LEU A 32 4.673 -13.148 -0.627 1.00 0.00 N ATOM 486 CA LEU A 32 6.049 -13.029 -0.157 1.00 0.00 C ATOM 487 C LEU A 32 6.618 -14.395 0.216 1.00 0.00 C ATOM 488 O LEU A 32 7.763 -14.710 -0.106 1.00 0.00 O ATOM 489 CB LEU A 32 6.118 -12.090 1.048 1.00 0.00 C ATOM 490 CG LEU A 32 5.725 -10.635 0.788 1.00 0.00 C ATOM 491 CD1 LEU A 32 5.975 -9.786 2.025 1.00 0.00 C ATOM 492 CD2 LEU A 32 6.489 -10.081 -0.405 1.00 0.00 C ATOM 0 H LEU A 32 3.980 -12.712 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 32 6.649 -12.615 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.470 -12.486 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.136 -12.106 1.438 1.00 0.00 H new ATOM 0 HG LEU A 32 4.660 -10.602 0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.690 -8.754 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.382 -10.169 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.033 -9.825 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.196 -9.045 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.559 -10.128 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.259 -10.673 -1.291 1.00 0.00 H new ATOM 504 N GLU A 33 5.808 -15.202 0.894 1.00 0.00 N ATOM 505 CA GLU A 33 6.230 -16.535 1.309 1.00 0.00 C ATOM 506 C GLU A 33 6.603 -17.388 0.100 1.00 0.00 C ATOM 507 O GLU A 33 7.592 -18.120 0.126 1.00 0.00 O ATOM 508 CB GLU A 33 5.120 -17.220 2.108 1.00 0.00 C ATOM 509 CG GLU A 33 5.076 -16.805 3.569 1.00 0.00 C ATOM 510 CD GLU A 33 6.031 -17.607 4.432 1.00 0.00 C ATOM 511 OE1 GLU A 33 6.506 -18.664 3.966 1.00 0.00 O ATOM 512 OE2 GLU A 33 6.304 -17.178 5.573 1.00 0.00 O ATOM 0 H GLU A 33 4.857 -14.956 1.167 1.00 0.00 H new ATOM 0 HA GLU A 33 7.111 -16.429 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.159 -16.994 1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.256 -18.300 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.321 -15.746 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.061 -16.927 3.947 1.00 0.00 H new ATOM 519 N GLU A 34 5.804 -17.287 -0.957 1.00 0.00 N ATOM 520 CA GLU A 34 6.050 -18.051 -2.175 1.00 0.00 C ATOM 521 C GLU A 34 7.116 -17.377 -3.034 1.00 0.00 C ATOM 522 O GLU A 34 7.770 -18.025 -3.851 1.00 0.00 O ATOM 523 CB GLU A 34 4.755 -18.204 -2.977 1.00 0.00 C ATOM 524 CG GLU A 34 3.834 -19.288 -2.443 1.00 0.00 C ATOM 525 CD GLU A 34 4.187 -20.666 -2.970 1.00 0.00 C ATOM 526 OE1 GLU A 34 4.478 -20.782 -4.179 1.00 0.00 O ATOM 527 OE2 GLU A 34 4.172 -21.627 -2.173 1.00 0.00 O ATOM 0 H GLU A 34 4.982 -16.685 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 34 6.411 -19.039 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.222 -17.253 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.004 -18.429 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.882 -19.296 -1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.805 -19.052 -2.715 1.00 0.00 H new ATOM 534 N GLN A 35 7.284 -16.072 -2.843 1.00 0.00 N ATOM 535 CA GLN A 35 8.270 -15.311 -3.601 1.00 0.00 C ATOM 536 C GLN A 35 9.680 -15.822 -3.328 1.00 0.00 C ATOM 537 O GLN A 35 10.609 -15.544 -4.085 1.00 0.00 O ATOM 538 CB GLN A 35 8.177 -13.825 -3.250 1.00 0.00 C ATOM 539 CG GLN A 35 7.462 -12.994 -4.303 1.00 0.00 C ATOM 540 CD GLN A 35 7.964 -11.564 -4.358 1.00 0.00 C ATOM 541 OE1 GLN A 35 9.133 -11.294 -4.084 1.00 0.00 O ATOM 542 NE2 GLN A 35 7.080 -10.640 -4.715 1.00 0.00 N ATOM 0 H GLN A 35 6.751 -15.521 -2.171 1.00 0.00 H new ATOM 0 HA GLN A 35 8.055 -15.442 -4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.656 -13.717 -2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.183 -13.430 -3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.595 -13.460 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.392 -12.992 -4.094 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.121 -10.909 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.360 -9.661 -4.771 1.00 0.00 H new ATOM 551 N GLY A 36 9.833 -16.573 -2.241 1.00 0.00 N ATOM 552 CA GLY A 36 11.133 -17.111 -1.888 1.00 0.00 C ATOM 553 C GLY A 36 11.640 -16.579 -0.562 1.00 0.00 C ATOM 554 O GLY A 36 12.826 -16.694 -0.252 1.00 0.00 O ATOM 0 H GLY A 36 9.079 -16.818 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.072 -18.198 -1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.849 -16.866 -2.672 1.00 0.00 H new ATOM 558 N MET A 37 10.741 -15.994 0.222 1.00 0.00 N ATOM 559 CA MET A 37 11.104 -15.442 1.522 1.00 0.00 C ATOM 560 C MET A 37 10.710 -16.395 2.646 1.00 0.00 C ATOM 561 O MET A 37 9.536 -16.727 2.810 1.00 0.00 O ATOM 562 CB MET A 37 10.431 -14.084 1.730 1.00 0.00 C ATOM 563 CG MET A 37 10.920 -13.011 0.770 1.00 0.00 C ATOM 564 SD MET A 37 9.784 -11.616 0.651 1.00 0.00 S ATOM 565 CE MET A 37 9.557 -11.215 2.382 1.00 0.00 C ATOM 0 H MET A 37 9.756 -15.890 -0.020 1.00 0.00 H new ATOM 0 HA MET A 37 12.186 -15.310 1.543 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.353 -14.200 1.614 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.608 -13.753 2.753 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.896 -12.653 1.098 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.057 -13.449 -0.219 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.512 -11.362 2.655 1.00 0.00 H new ATOM 0 HE2 MET A 37 10.186 -11.864 2.991 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.834 -10.175 2.554 1.00 0.00 H new ATOM 575 N LYS A 38 11.699 -16.832 3.419 1.00 0.00 N ATOM 576 CA LYS A 38 11.456 -17.746 4.529 1.00 0.00 C ATOM 577 C LYS A 38 11.842 -17.103 5.857 1.00 0.00 C ATOM 578 O LYS A 38 11.540 -17.634 6.925 1.00 0.00 O ATOM 579 CB LYS A 38 12.244 -19.043 4.330 1.00 0.00 C ATOM 580 CG LYS A 38 13.741 -18.829 4.186 1.00 0.00 C ATOM 581 CD LYS A 38 14.501 -20.142 4.260 1.00 0.00 C ATOM 582 CE LYS A 38 14.860 -20.499 5.694 1.00 0.00 C ATOM 583 NZ LYS A 38 16.096 -19.803 6.146 1.00 0.00 N ATOM 0 H LYS A 38 12.677 -16.568 3.297 1.00 0.00 H new ATOM 0 HA LYS A 38 10.391 -17.975 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.060 -19.704 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.871 -19.552 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.950 -18.340 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.091 -18.160 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.896 -20.938 3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.410 -20.071 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.033 -20.234 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.000 -21.577 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.307 -20.073 7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.891 -20.075 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.954 -18.774 6.092 1.00 0.00 H new ATOM 597 N ASN A 39 12.509 -15.956 5.783 1.00 0.00 N ATOM 598 CA ASN A 39 12.935 -15.240 6.980 1.00 0.00 C ATOM 599 C ASN A 39 11.809 -14.363 7.518 1.00 0.00 C ATOM 600 O ASN A 39 11.011 -13.803 6.766 1.00 0.00 O ATOM 601 CB ASN A 39 14.165 -14.383 6.677 1.00 0.00 C ATOM 602 CG ASN A 39 15.308 -14.651 7.637 1.00 0.00 C ATOM 603 OD1 ASN A 39 15.611 -15.801 7.953 1.00 0.00 O ATOM 604 ND2 ASN A 39 15.948 -13.586 8.106 1.00 0.00 N ATOM 0 H ASN A 39 12.766 -15.502 4.906 1.00 0.00 H new ATOM 0 HA ASN A 39 13.193 -15.976 7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 39 14.498 -14.577 5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.891 -13.329 6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 39 16.725 -13.703 8.756 1.00 0.00 H new ATOM 0 HD22 ASN A 39 15.662 -12.651 7.816 1.00 0.00 H new ATOM 611 N PRO A 40 11.743 -14.237 8.852 1.00 0.00 N ATOM 612 CA PRO A 40 10.720 -13.428 9.521 1.00 0.00 C ATOM 613 C PRO A 40 10.922 -11.934 9.293 1.00 0.00 C ATOM 614 O PRO A 40 9.972 -11.207 9.005 1.00 0.00 O ATOM 615 CB PRO A 40 10.907 -13.773 11.001 1.00 0.00 C ATOM 616 CG PRO A 40 12.328 -14.204 11.113 1.00 0.00 C ATOM 617 CD PRO A 40 12.661 -14.876 9.810 1.00 0.00 C ATOM 0 HA PRO A 40 9.720 -13.641 9.142 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.703 -12.912 11.637 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.227 -14.566 11.312 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.982 -13.350 11.290 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.463 -14.888 11.951 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.704 -14.720 9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.502 -15.953 9.861 1.00 0.00 H new ATOM 625 N GLU A 41 12.166 -11.483 9.422 1.00 0.00 N ATOM 626 CA GLU A 41 12.491 -10.074 9.230 1.00 0.00 C ATOM 627 C GLU A 41 12.037 -9.594 7.855 1.00 0.00 C ATOM 628 O GLU A 41 11.358 -8.575 7.735 1.00 0.00 O ATOM 629 CB GLU A 41 13.996 -9.849 9.390 1.00 0.00 C ATOM 630 CG GLU A 41 14.555 -10.378 10.700 1.00 0.00 C ATOM 631 CD GLU A 41 13.692 -10.014 11.892 1.00 0.00 C ATOM 632 OE1 GLU A 41 13.440 -8.807 12.094 1.00 0.00 O ATOM 633 OE2 GLU A 41 13.269 -10.934 12.622 1.00 0.00 O ATOM 0 H GLU A 41 12.964 -12.072 9.658 1.00 0.00 H new ATOM 0 HA GLU A 41 11.962 -9.498 9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.517 -10.330 8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.205 -8.781 9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.646 -11.463 10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.559 -9.981 10.849 1.00 0.00 H new ATOM 640 N GLU A 42 12.418 -10.336 6.819 1.00 0.00 N ATOM 641 CA GLU A 42 12.052 -9.985 5.453 1.00 0.00 C ATOM 642 C GLU A 42 10.544 -9.785 5.328 1.00 0.00 C ATOM 643 O GLU A 42 10.074 -8.680 5.053 1.00 0.00 O ATOM 644 CB GLU A 42 12.515 -11.073 4.481 1.00 0.00 C ATOM 645 CG GLU A 42 12.925 -10.538 3.119 1.00 0.00 C ATOM 646 CD GLU A 42 13.968 -11.406 2.442 1.00 0.00 C ATOM 647 OE1 GLU A 42 14.252 -12.505 2.962 1.00 0.00 O ATOM 648 OE2 GLU A 42 14.500 -10.986 1.393 1.00 0.00 O ATOM 0 H GLU A 42 12.980 -11.183 6.901 1.00 0.00 H new ATOM 0 HA GLU A 42 12.548 -9.048 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.357 -11.607 4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.711 -11.798 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.045 -10.469 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.317 -9.527 3.233 1.00 0.00 H new ATOM 655 N ILE A 43 9.792 -10.861 5.532 1.00 0.00 N ATOM 656 CA ILE A 43 8.338 -10.804 5.443 1.00 0.00 C ATOM 657 C ILE A 43 7.775 -9.704 6.337 1.00 0.00 C ATOM 658 O ILE A 43 6.999 -8.862 5.886 1.00 0.00 O ATOM 659 CB ILE A 43 7.697 -12.148 5.837 1.00 0.00 C ATOM 660 CG1 ILE A 43 8.286 -13.284 4.999 1.00 0.00 C ATOM 661 CG2 ILE A 43 6.186 -12.084 5.667 1.00 0.00 C ATOM 662 CD1 ILE A 43 7.657 -14.631 5.280 1.00 0.00 C ATOM 0 H ILE A 43 10.165 -11.783 5.760 1.00 0.00 H new ATOM 0 HA ILE A 43 8.094 -10.585 4.404 1.00 0.00 H new ATOM 0 HB ILE A 43 7.917 -12.345 6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.162 -13.047 3.942 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.358 -13.346 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.747 -13.041 5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.781 -11.297 6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.946 -11.868 4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.123 -15.389 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.804 -14.890 6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.590 -14.586 5.064 1.00 0.00 H new ATOM 674 N GLU A 44 8.173 -9.717 7.605 1.00 0.00 N ATOM 675 CA GLU A 44 7.709 -8.719 8.561 1.00 0.00 C ATOM 676 C GLU A 44 7.909 -7.308 8.015 1.00 0.00 C ATOM 677 O GLU A 44 7.006 -6.473 8.080 1.00 0.00 O ATOM 678 CB GLU A 44 8.449 -8.872 9.892 1.00 0.00 C ATOM 679 CG GLU A 44 7.948 -10.031 10.737 1.00 0.00 C ATOM 680 CD GLU A 44 8.793 -10.258 11.975 1.00 0.00 C ATOM 681 OE1 GLU A 44 9.585 -9.359 12.327 1.00 0.00 O ATOM 682 OE2 GLU A 44 8.662 -11.336 12.593 1.00 0.00 O ATOM 0 H GLU A 44 8.815 -10.407 7.994 1.00 0.00 H new ATOM 0 HA GLU A 44 6.643 -8.879 8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.512 -9.011 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.349 -7.948 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.917 -9.839 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.942 -10.939 10.134 1.00 0.00 H new ATOM 689 N ARG A 45 9.097 -7.050 7.478 1.00 0.00 N ATOM 690 CA ARG A 45 9.416 -5.741 6.923 1.00 0.00 C ATOM 691 C ARG A 45 8.451 -5.378 5.798 1.00 0.00 C ATOM 692 O ARG A 45 7.743 -4.373 5.873 1.00 0.00 O ATOM 693 CB ARG A 45 10.854 -5.721 6.401 1.00 0.00 C ATOM 694 CG ARG A 45 11.236 -4.420 5.715 1.00 0.00 C ATOM 695 CD ARG A 45 12.744 -4.281 5.583 1.00 0.00 C ATOM 696 NE ARG A 45 13.117 -3.300 4.567 1.00 0.00 N ATOM 697 CZ ARG A 45 12.996 -1.988 4.733 1.00 0.00 C ATOM 698 NH1 ARG A 45 12.515 -1.502 5.870 1.00 0.00 N ATOM 699 NH2 ARG A 45 13.356 -1.159 3.762 1.00 0.00 N ATOM 0 H ARG A 45 9.854 -7.731 7.416 1.00 0.00 H new ATOM 0 HA ARG A 45 9.315 -5.003 7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.536 -5.897 7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.988 -6.544 5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.778 -4.381 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.840 -3.578 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.166 -3.986 6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.176 -5.249 5.328 1.00 0.00 H new ATOM 0 HE ARG A 45 13.491 -3.641 3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.237 -2.136 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.423 -0.494 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.726 -1.529 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.263 -0.151 3.891 1.00 0.00 H new ATOM 713 N LYS A 46 8.429 -6.201 4.755 1.00 0.00 N ATOM 714 CA LYS A 46 7.552 -5.968 3.614 1.00 0.00 C ATOM 715 C LYS A 46 6.105 -5.797 4.067 1.00 0.00 C ATOM 716 O LYS A 46 5.483 -4.765 3.815 1.00 0.00 O ATOM 717 CB LYS A 46 7.653 -7.129 2.622 1.00 0.00 C ATOM 718 CG LYS A 46 8.853 -7.034 1.695 1.00 0.00 C ATOM 719 CD LYS A 46 8.734 -8.000 0.529 1.00 0.00 C ATOM 720 CE LYS A 46 9.896 -7.848 -0.441 1.00 0.00 C ATOM 721 NZ LYS A 46 9.620 -8.511 -1.746 1.00 0.00 N ATOM 0 H LYS A 46 9.009 -7.036 4.677 1.00 0.00 H new ATOM 0 HA LYS A 46 7.872 -5.049 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.706 -8.066 3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.743 -7.164 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.942 -6.015 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.764 -7.248 2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.703 -9.023 0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.795 -7.825 0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.095 -6.789 -0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.796 -8.276 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.436 -8.385 -2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.455 -9.526 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.776 -8.086 -2.180 1.00 0.00 H new ATOM 735 N VAL A 47 5.575 -6.815 4.737 1.00 0.00 N ATOM 736 CA VAL A 47 4.202 -6.776 5.227 1.00 0.00 C ATOM 737 C VAL A 47 3.940 -5.506 6.028 1.00 0.00 C ATOM 738 O VAL A 47 2.948 -4.813 5.804 1.00 0.00 O ATOM 739 CB VAL A 47 3.885 -8.000 6.107 1.00 0.00 C ATOM 740 CG1 VAL A 47 2.462 -7.921 6.639 1.00 0.00 C ATOM 741 CG2 VAL A 47 4.100 -9.287 5.326 1.00 0.00 C ATOM 0 H VAL A 47 6.075 -7.677 4.953 1.00 0.00 H new ATOM 0 HA VAL A 47 3.553 -6.790 4.351 1.00 0.00 H new ATOM 0 HB VAL A 47 4.566 -8.000 6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.256 -8.794 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.347 -7.017 7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.762 -7.896 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.871 -10.142 5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.445 -9.298 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.138 -9.345 4.999 1.00 0.00 H new ATOM 751 N GLU A 48 4.838 -5.206 6.962 1.00 0.00 N ATOM 752 CA GLU A 48 4.703 -4.019 7.797 1.00 0.00 C ATOM 753 C GLU A 48 4.487 -2.774 6.942 1.00 0.00 C ATOM 754 O GLU A 48 3.533 -2.023 7.149 1.00 0.00 O ATOM 755 CB GLU A 48 5.945 -3.840 8.673 1.00 0.00 C ATOM 756 CG GLU A 48 5.879 -4.602 9.986 1.00 0.00 C ATOM 757 CD GLU A 48 7.237 -4.754 10.641 1.00 0.00 C ATOM 758 OE1 GLU A 48 8.240 -4.881 9.908 1.00 0.00 O ATOM 759 OE2 GLU A 48 7.298 -4.746 11.889 1.00 0.00 O ATOM 0 H GLU A 48 5.666 -5.769 7.159 1.00 0.00 H new ATOM 0 HA GLU A 48 3.832 -4.155 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.823 -4.168 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.080 -2.779 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.206 -4.083 10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.453 -5.589 9.808 1.00 0.00 H new ATOM 766 N ILE A 49 5.380 -2.561 5.981 1.00 0.00 N ATOM 767 CA ILE A 49 5.288 -1.408 5.094 1.00 0.00 C ATOM 768 C ILE A 49 3.938 -1.366 4.387 1.00 0.00 C ATOM 769 O ILE A 49 3.260 -0.339 4.383 1.00 0.00 O ATOM 770 CB ILE A 49 6.408 -1.419 4.038 1.00 0.00 C ATOM 771 CG1 ILE A 49 7.779 -1.426 4.717 1.00 0.00 C ATOM 772 CG2 ILE A 49 6.276 -0.219 3.112 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.900 -1.884 3.810 1.00 0.00 C ATOM 0 H ILE A 49 6.176 -3.172 5.797 1.00 0.00 H new ATOM 0 HA ILE A 49 5.397 -0.521 5.717 1.00 0.00 H new ATOM 0 HB ILE A 49 6.314 -2.326 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.002 -0.422 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.740 -2.077 5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.075 -0.241 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.311 -0.254 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.347 0.700 3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.842 -1.864 4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.700 -2.900 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.966 -1.219 2.949 1.00 0.00 H new ATOM 785 N ASN A 50 3.553 -2.489 3.790 1.00 0.00 N ATOM 786 CA ASN A 50 2.282 -2.581 3.080 1.00 0.00 C ATOM 787 C ASN A 50 1.119 -2.217 3.997 1.00 0.00 C ATOM 788 O ASN A 50 0.155 -1.580 3.571 1.00 0.00 O ATOM 789 CB ASN A 50 2.085 -3.993 2.525 1.00 0.00 C ATOM 790 CG ASN A 50 1.588 -3.987 1.092 1.00 0.00 C ATOM 791 OD1 ASN A 50 2.375 -4.086 0.150 1.00 0.00 O ATOM 792 ND2 ASN A 50 0.276 -3.871 0.922 1.00 0.00 N ATOM 0 H ASN A 50 4.103 -3.348 3.784 1.00 0.00 H new ATOM 0 HA ASN A 50 2.305 -1.872 2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.029 -4.536 2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.373 -4.531 3.151 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.117 -3.861 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.338 -3.792 1.732 1.00 0.00 H new ATOM 799 N ARG A 51 1.217 -2.624 5.258 1.00 0.00 N ATOM 800 CA ARG A 51 0.173 -2.341 6.236 1.00 0.00 C ATOM 801 C ARG A 51 0.065 -0.842 6.498 1.00 0.00 C ATOM 802 O ARG A 51 -0.978 -0.232 6.260 1.00 0.00 O ATOM 803 CB ARG A 51 0.457 -3.079 7.545 1.00 0.00 C ATOM 804 CG ARG A 51 -0.725 -3.100 8.501 1.00 0.00 C ATOM 805 CD ARG A 51 -0.440 -3.964 9.720 1.00 0.00 C ATOM 806 NE ARG A 51 -1.222 -3.549 10.881 1.00 0.00 N ATOM 807 CZ ARG A 51 -1.030 -2.403 11.525 1.00 0.00 C ATOM 808 NH1 ARG A 51 -0.085 -1.563 11.123 1.00 0.00 N ATOM 809 NH2 ARG A 51 -1.783 -2.095 12.573 1.00 0.00 N ATOM 0 H ARG A 51 2.009 -3.151 5.627 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.776 -2.690 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.748 -4.105 7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.306 -2.609 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.955 -2.083 8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.606 -3.478 7.983 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.663 -5.005 9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.622 -3.912 9.961 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.956 -4.173 11.216 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.496 -1.796 10.318 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.060 -0.684 11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.510 -2.738 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.635 -1.215 13.067 1.00 0.00 H new ATOM 823 N LYS A 52 1.150 -0.253 6.989 1.00 0.00 N ATOM 824 CA LYS A 52 1.179 1.175 7.283 1.00 0.00 C ATOM 825 C LYS A 52 0.769 1.990 6.061 1.00 0.00 C ATOM 826 O LYS A 52 0.132 3.037 6.186 1.00 0.00 O ATOM 827 CB LYS A 52 2.578 1.593 7.742 1.00 0.00 C ATOM 828 CG LYS A 52 3.661 1.331 6.710 1.00 0.00 C ATOM 829 CD LYS A 52 5.009 1.859 7.171 1.00 0.00 C ATOM 830 CE LYS A 52 5.061 3.378 7.117 1.00 0.00 C ATOM 831 NZ LYS A 52 6.049 3.863 6.114 1.00 0.00 N ATOM 0 H LYS A 52 2.021 -0.743 7.192 1.00 0.00 H new ATOM 0 HA LYS A 52 0.466 1.371 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.569 2.656 7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.825 1.058 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.734 0.260 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.388 1.803 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.203 1.523 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.797 1.444 6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.073 3.767 6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.321 3.768 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.055 4.903 6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.996 3.513 6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.787 3.512 5.171 1.00 0.00 H new ATOM 845 N ARG A 53 1.137 1.504 4.880 1.00 0.00 N ATOM 846 CA ARG A 53 0.806 2.188 3.635 1.00 0.00 C ATOM 847 C ARG A 53 -0.702 2.196 3.403 1.00 0.00 C ATOM 848 O ARG A 53 -1.310 3.254 3.237 1.00 0.00 O ATOM 849 CB ARG A 53 1.512 1.516 2.456 1.00 0.00 C ATOM 850 CG ARG A 53 1.789 2.457 1.296 1.00 0.00 C ATOM 851 CD ARG A 53 1.736 1.728 -0.038 1.00 0.00 C ATOM 852 NE ARG A 53 2.562 2.379 -1.051 1.00 0.00 N ATOM 853 CZ ARG A 53 2.582 2.014 -2.328 1.00 0.00 C ATOM 854 NH1 ARG A 53 1.824 1.010 -2.746 1.00 0.00 N ATOM 855 NH2 ARG A 53 3.361 2.655 -3.190 1.00 0.00 N ATOM 0 H ARG A 53 1.664 0.639 4.759 1.00 0.00 H new ATOM 0 HA ARG A 53 1.149 3.220 3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.455 1.092 2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.900 0.686 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.058 3.265 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.770 2.914 1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.072 0.700 0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.704 1.683 -0.386 1.00 0.00 H new ATOM 0 HE ARG A 53 3.156 3.156 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.223 0.516 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.841 0.732 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.945 3.429 -2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.376 2.374 -4.170 1.00 0.00 H new ATOM 869 N LEU A 54 -1.299 1.009 3.392 1.00 0.00 N ATOM 870 CA LEU A 54 -2.737 0.878 3.180 1.00 0.00 C ATOM 871 C LEU A 54 -3.516 1.635 4.250 1.00 0.00 C ATOM 872 O LEU A 54 -4.454 2.372 3.944 1.00 0.00 O ATOM 873 CB LEU A 54 -3.141 -0.597 3.185 1.00 0.00 C ATOM 874 CG LEU A 54 -2.924 -1.357 1.877 1.00 0.00 C ATOM 875 CD1 LEU A 54 -3.175 -2.844 2.075 1.00 0.00 C ATOM 876 CD2 LEU A 54 -3.825 -0.804 0.782 1.00 0.00 C ATOM 0 H LEU A 54 -0.810 0.124 3.527 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.977 1.310 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.583 -1.103 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.196 -0.663 3.449 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.887 -1.222 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.016 -3.369 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.488 -3.232 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.202 -2.999 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.657 -1.357 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.868 -0.907 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.597 0.250 0.621 1.00 0.00 H new ATOM 888 N GLU A 55 -3.121 1.450 5.505 1.00 0.00 N ATOM 889 CA GLU A 55 -3.783 2.116 6.621 1.00 0.00 C ATOM 890 C GLU A 55 -3.765 3.631 6.437 1.00 0.00 C ATOM 891 O GLU A 55 -4.814 4.273 6.381 1.00 0.00 O ATOM 892 CB GLU A 55 -3.106 1.744 7.941 1.00 0.00 C ATOM 893 CG GLU A 55 -3.641 0.463 8.560 1.00 0.00 C ATOM 894 CD GLU A 55 -3.020 0.163 9.910 1.00 0.00 C ATOM 895 OE1 GLU A 55 -2.250 1.009 10.410 1.00 0.00 O ATOM 896 OE2 GLU A 55 -3.304 -0.919 10.466 1.00 0.00 O ATOM 0 H GLU A 55 -2.346 0.844 5.775 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.820 1.782 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.035 1.636 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.236 2.562 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.722 0.542 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.450 -0.370 7.883 1.00 0.00 H new ATOM 903 N VAL A 56 -2.565 4.196 6.344 1.00 0.00 N ATOM 904 CA VAL A 56 -2.409 5.635 6.166 1.00 0.00 C ATOM 905 C VAL A 56 -3.047 6.099 4.861 1.00 0.00 C ATOM 906 O VAL A 56 -3.440 7.259 4.729 1.00 0.00 O ATOM 907 CB VAL A 56 -0.924 6.043 6.173 1.00 0.00 C ATOM 908 CG1 VAL A 56 -0.782 7.543 5.964 1.00 0.00 C ATOM 909 CG2 VAL A 56 -0.260 5.612 7.472 1.00 0.00 C ATOM 0 H VAL A 56 -1.687 3.679 6.389 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.914 6.115 7.004 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.421 5.536 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.274 7.813 5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.220 7.820 5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.298 8.072 6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.789 5.908 7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.762 6.089 8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.330 4.529 7.575 1.00 0.00 H new ATOM 919 N ASP A 57 -3.147 5.188 3.901 1.00 0.00 N ATOM 920 CA ASP A 57 -3.738 5.503 2.605 1.00 0.00 C ATOM 921 C ASP A 57 -5.253 5.645 2.720 1.00 0.00 C ATOM 922 O ASP A 57 -5.860 6.485 2.055 1.00 0.00 O ATOM 923 CB ASP A 57 -3.391 4.418 1.585 1.00 0.00 C ATOM 924 CG ASP A 57 -2.050 4.658 0.919 1.00 0.00 C ATOM 925 OD1 ASP A 57 -1.242 5.432 1.473 1.00 0.00 O ATOM 926 OD2 ASP A 57 -1.809 4.070 -0.156 1.00 0.00 O ATOM 0 H ASP A 57 -2.826 4.224 3.995 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.326 6.454 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.379 3.447 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.170 4.377 0.823 1.00 0.00 H new ATOM 931 N TYR A 58 -5.857 4.819 3.567 1.00 0.00 N ATOM 932 CA TYR A 58 -7.301 4.850 3.766 1.00 0.00 C ATOM 933 C TYR A 58 -7.666 5.706 4.975 1.00 0.00 C ATOM 934 O TYR A 58 -8.739 5.553 5.557 1.00 0.00 O ATOM 935 CB TYR A 58 -7.842 3.431 3.949 1.00 0.00 C ATOM 936 CG TYR A 58 -7.528 2.509 2.793 1.00 0.00 C ATOM 937 CD1 TYR A 58 -7.691 2.930 1.479 1.00 0.00 C ATOM 938 CD2 TYR A 58 -7.066 1.218 3.015 1.00 0.00 C ATOM 939 CE1 TYR A 58 -7.405 2.091 0.419 1.00 0.00 C ATOM 940 CE2 TYR A 58 -6.777 0.372 1.961 1.00 0.00 C ATOM 941 CZ TYR A 58 -6.948 0.813 0.666 1.00 0.00 C ATOM 942 OH TYR A 58 -6.662 -0.026 -0.387 1.00 0.00 O ATOM 0 H TYR A 58 -5.369 4.120 4.127 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.755 5.293 2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.426 3.008 4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.923 3.478 4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.047 3.930 1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.930 0.869 4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.538 2.434 -0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.419 -0.629 2.151 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.370 0.504 -1.158 1.00 0.00 H new ATOM 952 N GLY A 59 -6.763 6.609 5.347 1.00 0.00 N ATOM 953 CA GLY A 59 -7.008 7.477 6.485 1.00 0.00 C ATOM 954 C GLY A 59 -7.402 6.705 7.728 1.00 0.00 C ATOM 955 O GLY A 59 -8.328 7.094 8.442 1.00 0.00 O ATOM 0 H GLY A 59 -5.867 6.755 4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.111 8.061 6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.798 8.185 6.235 1.00 0.00 H new ATOM 959 N LEU A 60 -6.701 5.608 7.989 1.00 0.00 N ATOM 960 CA LEU A 60 -6.983 4.778 9.155 1.00 0.00 C ATOM 961 C LEU A 60 -5.793 4.755 10.109 1.00 0.00 C ATOM 962 O LEU A 60 -5.672 3.859 10.945 1.00 0.00 O ATOM 963 CB LEU A 60 -7.331 3.353 8.720 1.00 0.00 C ATOM 964 CG LEU A 60 -8.451 3.222 7.687 1.00 0.00 C ATOM 965 CD1 LEU A 60 -8.752 1.757 7.411 1.00 0.00 C ATOM 966 CD2 LEU A 60 -9.702 3.945 8.163 1.00 0.00 C ATOM 0 H LEU A 60 -5.932 5.272 7.409 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.836 5.210 9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.433 2.889 8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.612 2.782 9.605 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.119 3.685 6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.551 1.682 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.857 1.268 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.064 1.269 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.489 3.841 7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.037 3.511 9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.478 5.002 8.310 1.00 0.00 H new ATOM 978 N SER A 61 -4.917 5.746 9.978 1.00 0.00 N ATOM 979 CA SER A 61 -3.735 5.838 10.827 1.00 0.00 C ATOM 980 C SER A 61 -3.090 7.216 10.712 1.00 0.00 C ATOM 981 O SER A 61 -2.805 7.689 9.613 1.00 0.00 O ATOM 982 CB SER A 61 -2.723 4.756 10.448 1.00 0.00 C ATOM 983 OG SER A 61 -2.525 4.711 9.045 1.00 0.00 O ATOM 0 H SER A 61 -5.003 6.496 9.292 1.00 0.00 H new ATOM 0 HA SER A 61 -4.048 5.687 11.860 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.773 4.951 10.946 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.074 3.786 10.800 1.00 0.00 H new ATOM 0 HG SER A 61 -1.922 3.971 8.823 1.00 0.00 H new